PBS has assigned the following compute nodes to this run: node8 Input file supplied : dae-xpt ----- GAMESS execution script 'rungms-dev' ----- This job is running on host node8 under operating system Linux at Thu Jul 16 01:07:39 IST 2026 with mpi communication mode Available scratch disk space (Kbyte units) at beginning of the job is Filesystem 1K-blocks Used Available Use% Mounted on /dev/nvme0n1p5 2112647088 36 2005256488 1% /lscratch GAMESS temporary binary files will be written to /lscratch/34516.master GAMESS supplementary output files will be written to /home/user/jitendra/cas-site Copying input file dae-xpt.inp to your run's scratch directory... -----debug---- HOSTFILE /lscratch/34516.master/dae-xpt.nodes.mpd contains node8 -------------- -----debug---- PROCFILE /lscratch/34516.master/dae-xpt.processes.mpd contains node8 slots=60 max_slots=60 -------------- -----debug---- the execution path is /apps/compilers/openmpi/4.1.1/bin /apps/gaussian/g09 /apps/scratch/source/gv /home/user/anaconda3/bin /home/user/anaconda3/condabin /home/user/.local/bin /home/user/bin /usr/share/Modules/bin /bin /usr/bin /usr/local/sbin /usr/sbin /opt/pbs/bin /opt/pbs/bin the library path is /apps/compilers/openmpi/4.1.1/lib: The dynamically linked libraries for this binary are /apps/scratch/compile/gamess_2024/gamess.00.x : /apps/scratch/compile/gamess_2024/gamess.00.x : linux-vdso.so.1 (0x00007fff95def000) libdl.so.2 => /lib64/libdl.so.2 (0x000014abfb03e000) libmpi.so.40 => /apps/compilers/openmpi/4.1.1/lib/libmpi.so.40 (0x000014abfad17000) libpthread.so.0 => /lib64/libpthread.so.0 (0x000014abfaaf7000) libgfortran.so.5 => /apps/compilers/gcc/9.3.0/lib64/libgfortran.so.5 (0x000014abfa669000) libm.so.6 => /lib64/libm.so.6 (0x000014abfa2e7000) libgcc_s.so.1 => /apps/compilers/gcc/9.3.0/lib64/libgcc_s.so.1 (0x000014abfa0cf000) libquadmath.so.0 => /apps/compilers/gcc/9.3.0/lib64/libquadmath.so.0 (0x000014abf9e89000) libc.so.6 => /lib64/libc.so.6 (0x000014abf9ac4000) /lib64/ld-linux-x86-64.so.2 (0x000014abfb242000) libopen-rte.so.40 => /apps/compilers/openmpi/4.1.1/lib/libopen-rte.so.40 (0x000014abf980c000) libopen-orted-mpir.so => /apps/compilers/openmpi/4.1.1/lib/libopen-orted-mpir.so (0x000014abf960a000) libopen-pal.so.40 => /apps/compilers/openmpi/4.1.1/lib/libopen-pal.so.40 (0x000014abf9305000) librt.so.1 => /lib64/librt.so.1 (0x000014abf90fd000) libutil.so.1 => /lib64/libutil.so.1 (0x000014abf8ef9000) libz.so.1 => /lib64/libz.so.1 (0x000014abf8ce1000) -------------- MPI kickoff will run GAMESS on 30 cores in 1 nodes. The binary to be executed is /apps/scratch/compile/gamess_2024/gamess.00.x MPI will run 30 compute processes and 30 data servers, placing 30 of each process type onto each node. The scratch disk space on each node is /lscratch/34516.master, with free space Filesystem 1K-blocks Used Available Use% Mounted on /dev/nvme0n1p5 2112647088 3272 2005253252 1% /lscratch ******************************************************* * * * GAMESS VERSION = 15 JUL 2024 (R2 Patch 1) * * * * doi.org/10.1063/5.0005188 * * * **************** 64 BIT LINUX VERSION ***************** GAMESS HAS BEEN MADE POSSIBLE WITH IMPORTANT CONTRIBUTIONS FROM THE FOLLOWING INDIVIDUALS (IN ALPHABETICAL ORDER): IVANA ADAMOVIC, CHRISTINE AIKENS, TOMOKO AKAMA, MELISA ALKAN, YURI ALEXEEV, YURIKO AOKI, POOJA ARORA, TOSHIO ASADA, ANDREY ASADCHEV, KIM K. BALDRIDGE, PRADIPTA BANDYOPADHYAY, TAYLOR A. BARNES, MARIA BARYSZ, ROB BELL, JONATHAN BENTZ, COLLEEN BERTONI, JERRY A. BOATZ, BRETT BODE, KURT BRORSEN, KURT R. BRORSEN, LAIMUTIS BYTAUTAS, CALEB CARLIN, LAURA CARRINGTON, GALINA CHABAN, BENOIT CHAMPAGNE, WEI CHEN, MAHITO CHIBA, DAN CHIPMAN, CHEOL HO CHOI, TANNER CULPITT, DIPAYAN DATTA, PAUL DAY, ALBERT DEFUSCO, NUWAN DESILVA, J. EMILIANO DEUSTUA, TIM DUDLEY, MICHEL DUPUIS, STEVEN T. ELBERT, DMITRI FEDOROV, KATHERINE FERRERAS, MICHAEL FILATOV, ALEX FINDLATER,GRAHAM FLETCHER, MARK FREITAG, CHRISTIAN FRIEDL, DAVID GARMER, IGOR S. GERASIMOV, KURT GLAESEMANN, MARK S. GORDON, JEFFREY R. GOUR, FENG LONG GU, EMILIE B. GUIDEZ, ANASTASIA GUNINA, SHARON HAMMES-SCHIFFER, MASATAKE HARUTA, KIMIHIKO HIRAO, YASUHIRO IKABATA, TZVETELIN IORDANOV, STEPHAN IRLE, KAZUYA ISHIMURA, JOE IVANIC, FRANK JENSEN, JAN H. JENSEN, VISVALDAS KAIRYS, MUNEAKI KAMIYA, MICHIO KATOUDA, NAOAKI KAWAKAMI, DAN KEMP, BERNARD KIRTMAN, KAZUO KITAURA, MARIUSZ KLOBUKOWSKI, MASATO KOBAYASHI, KONSTANTIN KOMAROV, PRAKASHAN KORAMBATH, JACEK KORCHOWIEC, SHIRO KOSEKI, KAROL KOWALSKI, JIMMY KROMANN, STANISLAW A. KUCHARSKI, HENRY KURTZ, SAROM SOK LEANG, SEUNGHOON LEE, HUI LI, SHUHUA LI, WEI LI, JESSE J. LUTZ, ALEKSANDR O. LYKHIN, ILIAS MAGOULAS, MARCIN MAKOWSKI, JOANI MATO, NIKITA MATSUNAGA, BENEDETTA MENNUCCI, GRANT MERRILL, NORIYUKI MINEZAWA, VLADIMIR MIRONOV, EISAKU MIYOSHI, JOHN A. MONTGOMERY JR., HIROTOSHI MORI, JONATHAN MULLIN, MONIKA MUSIAL, SHIGERU NAGASE, TAKESHI NAGATA, HIROMI NAKAI, TAKAHITO NAKAJIMA, YUYA NAKAJIMA, HARUYUKI NAKANO, HIROYA NAKATA, SEAN NEDD, HEATHER NETZLOFF, KIET A. NGUYEN, YOSHIO NISHIMOTO, BOSILJKA NJEGIC, RYAN OLSON, MIKE PAK, ROBERTO PEVERATI, BUU PHAM, PIOTR PIECUCH, ANNA POMOGAEVA, DAVID POOLE, SPENCER PRUITT, OLIVIER QUINET, LUKE ROSKOP, KLAUS RUEDENBERG, ANDREW SAND, TOSAPORN SATTASATHUCHANA, NOZOMI SAWADA, MICHAEL W. SCHMIDT, PATRICK E. SCHNEIDER, JUNJI SEINO, PRACHI SHARMA, JUN SHEN, JIM SHOEMAKER, GEORGE SCHOENDORFF, YINAN SHU, DEJUN SI, JONATHAN SKONE, LYUDMILA SLIPCHENKO, TONY SMITH, JIE SONG, MARK SPACKMAN, CASPER STEINMANN, WALT STEVENS, PEIFENG SU, SHUJUN SU, CHET SWALINA, CHINAMI TAKASHIMA, TETSUYA TAKETSUGU, ZHEN TAO, NANDUN THELLAMUREGE, ANANTA TIWARI, SEIKEN TOKURA, JACOPO TOMASI, TSUGUKI TOUMA, TAKAO TSUNEDA, HIROAKI UMEDA, JORGE LUIS GALVEZ VALLEJO, YALI WANG, SIMON WEBB, AARON WEST, THERESA L. WINDUS, MARTA WLOCH, PENG XU, KIYOSHI YAGI, SUSUMU YANAGISAWA, YANG YANG, SOOHAENG YOO, TAKESHI YOSHIKAWA, FEDERICO ZAHARIEV, TOBY ZENG WHO ARE SUPPORTED BY THEIR INSTITUTION/UNIVERSITY/COMPANY/GROUP (IN ALPHABETICAL ORDER): EP ANALYTICS, FACULTES UNIVERSITAIRES NOTRE-DAME DE LA PAIX, INSTITUTE FOR MOLECULAR SCIENCE, IOWA STATE UNIVERSITY, JACKSON STATE UNIVERSITY, JOHANNES KEPLER UNIVERSITY LINZ, KYUNGPOOK NATIONAL UNIVERSITY KYUSHU UNIVERSITY, MICHIGAN STATE UNIVERSITY, MIE UNIVERSITY, THE MOLECULAR SCIENCES SOFTWARE INSTITUTE, MOSCOW STATE UNIVERSITY, N. COPERNICUS UNIVERSITY, NAGOYA UNIVERSITY, NANJING UNIVERSITY, NAT. INST. OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY, NATIONAL INST. OF STANDARDS AND TECHNOLOGY, NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS OF RUSSIAN ACADEMY OF SCIENCES, OSAKA PREFECTURE UNIVERSITY, PENNSYLVANIA STATE UNIVERSITY, TOKYO INSTITUTE OF TECHNOLOGY, UNIVERSITY OF AARHUS, UNIVERSITY OF ALBERTA, UNIVERSITY OF CALIFORNIA AT SANTA BARBARA, UNIVERSITY OF COPENHAGEN, UNIVERSITY OF IOWA, UNIVERSITY OF MEMPHIS, UNIVERSITY OF MINNESOTA, UNIVERSITY OF NEBRASKA, UNIVERSITY OF NEW ENGLAND, UNIVERSITY OF NOTRE DAME, UNIVERSITY OF PISA, UNIVERSITY OF SILESIA, UNIVERSITY OF TOKYO, UNIVERSITY OF ZURICH, WASEDA UNIVERSITY, YALE UNIVERSITY GAMESS SOFTWARE MANAGEMENT TEAM FOR THIS RELEASE: MARK S. GORDON (TEAM LEAD), BRETT BODE (SENIOR ADVISOR), GIUSEPPE BARCA, COLLEEN BERTONI, KRISTOPHER KEIPERT (ADVISOR), SAROM S. LEANG (DEVELOPMENT LEAD), BUU PHAM, JACKSON HAYES (WEBSITE ADMINISTRATOR), PENG XU PARALLEL VERSION RUNNING ON 30 PROCESSORS IN 1 NODES. EXECUTION OF GAMESS BEGUN 01:07:40 16-JUL-2026 ECHO OF THE FIRST FEW INPUT CARDS - INPUT CARD> $CONTRL SCFTYP=MCSCF RUNTYP=ENERGY UNITS=ANGS ISPHER=1 INPUT CARD> MPLEVL=2 $END INPUT CARD> $SYSTEM MWORDS=1000 MEMDDI=8000 $END INPUT CARD> $BASIS GBASIS=CCD $END INPUT CARD> $GUESS GUESS=MOREAD NORB=438 $END INPUT CARD> $MCSCF CISTEP=GUGA FULLNR=.T. MAXIT=120 FORS=.T. FINCI=MOS $END INPUT CARD> $DRT GROUP=C1 FORS=.T. NMCC=99 NDOC=2 NVAL=2 STSYM=A $END INPUT CARD> $GUGDIA NSTATE=3 ITERMX=120 $END INPUT CARD> $GUGDM2 WSTATE(1)=1,1,1 $END INPUT CARD> $MRMP MRPT=MCQDPT $END INPUT CARD> $MCQDPT KSTATE(1)=1,1,1 XZERO=.T. EDSHFT=0.04 $END INPUT CARD> INPUT CARD> $DATA INPUT CARD>dae-DMT-M-cf.log INPUT CARD>C1 INPUT CARD>C 6.0 2.1352310000 -3.0758060000 -0.0319910000 INPUT CARD>C 6.0 0.7846350000 -2.8437540000 0.0691620000 INPUT CARD>C 6.0 0.4452160000 -1.4506240000 0.1389730000 INPUT CARD>C 6.0 1.6635030000 -0.5607870000 0.3980210000 INPUT CARD>S 16.0 3.1301590000 -1.6103780000 -0.0563360000 INPUT CARD>H 1.0 0.0432020000 -3.6478720000 0.0461850000 INPUT CARD>C 6.0 0.2399660000 1.4127210000 -0.0854520000 INPUT CARD>C 6.0 2.1661030000 3.0366100000 0.0099700000 INPUT CARD>C 6.0 1.5701430000 0.7324500000 -0.4323350000 INPUT CARD>C 6.0 -0.8677290000 0.6352220000 0.0943840000 INPUT CARD>C 6.0 -0.7680550000 -0.8159100000 0.0761360000 INPUT CARD>C 6.0 -2.3040530000 1.0172330000 0.2652180000 INPUT CARD>C 6.0 -3.0442460000 -0.2061960000 -0.3283750000 INPUT CARD>C 6.0 -2.1449240000 -1.4089430000 0.0539870000 INPUT CARD>F 9.0 -2.6480390000 1.1383660000 1.5818940000 INPUT CARD>F 9.0 -2.6514270000 2.1721050000 -0.3546790000 INPUT CARD>F 9.0 -2.2897830000 -2.4421230000 -0.8182580000 INPUT CARD>F 9.0 -2.5202020000 -1.8699760000 1.2833910000 INPUT CARD>C 6.0 2.9549210000 4.3000060000 0.1864520000 INPUT CARD>H 1.0 4.0322350000 4.0727720000 0.2076660000 INPUT CARD>H 1.0 2.7603310000 5.0029220000 -0.6417550000 INPUT CARD>C 6.0 2.8124370000 -4.4098360000 -0.1355810000 INPUT CARD>H 1.0 2.0649330000 -5.2181700000 -0.1568370000 INPUT CARD>H 1.0 3.4876510000 -4.5716760000 0.7223610000 INPUT CARD>H 1.0 3.4231040000 -4.4689540000 -1.0530920000 INPUT CARD>C 6.0 1.5403640000 0.4598360000 -1.9612840000 INPUT CARD>H 1.0 0.7393520000 -0.2567100000 -2.2115660000 INPUT CARD>H 1.0 1.3471560000 1.4116370000 -2.4832240000 INPUT CARD>H 1.0 2.5040600000 0.0506990000 -2.3030090000 INPUT CARD>C 6.0 1.7245320000 -0.2811270000 1.9153250000 INPUT CARD>H 1.0 1.7834440000 -1.2387410000 2.4574990000 INPUT CARD>H 1.0 0.8145030000 0.2554630000 2.2356460000 INPUT CARD>H 1.0 2.6078510000 0.3289090000 2.1660950000 INPUT CARD>H 1.0 2.6805560000 4.8075360000 1.1268620000 INPUT CARD>F 9.0 -4.3091890000 -0.3288710000 0.1126230000 1000000000 WORDS OF MEMORY AVAILABLE BASIS OPTIONS ------------- GBASIS=CCD IGAUSS= 0 POLAR=NONE NDFUNC= 0 NFFUNC= 0 DIFFSP= F NPFUNC= 0 DIFFS= F BASNAM= RUN TITLE --------- dae-DMT-M-cf.log THE POINT GROUP OF THE MOLECULE IS C1 THE ORDER OF THE PRINCIPAL AXIS IS 0 ATOM ATOMIC COORDINATES (BOHR) CHARGE X Y Z C 6.0 4.0350015105 -5.8124305314 -0.0604542241 C 6.0 1.4827451504 -5.3739158365 0.1306972288 C 6.0 0.8413362453 -2.7412818712 0.2626208897 C 6.0 3.1435648498 -1.0597337675 0.7521506274 S 16.0 5.9151428080 -3.0431731567 -0.1064596032 H 1.0 0.0816399421 -6.8934785183 0.0872769947 C 6.0 0.4534699864 2.6696555871 -0.1614808651 C 6.0 4.0933411312 5.7383608316 0.0188405681 C 6.0 2.9671400315 1.3841297997 -0.8169946849 C 6.0 -1.6397700416 1.2003955214 0.1783598976 C 6.0 -1.4514134935 -1.5418463306 0.1438761778 C 6.0 -4.3540288312 1.9222916357 0.5011893470 C 6.0 -5.7527907792 -0.3896539398 -0.6205387712 C 6.0 -4.0533186245 -2.6625162023 0.1020206369 F 9.0 -5.0040681148 2.1511998137 2.9893462016 F 9.0 -5.0104705064 4.1046832666 -0.6702461236 F 9.0 -4.3270624413 -4.6149432983 -1.5462834073 F 9.0 -4.7624912137 -3.5337422436 2.4252573251 C 6.0 5.5839910054 8.1258330856 0.3523431899 H 1.0 7.6198192681 7.6964230905 0.3924318370 H 1.0 5.2162692254 9.4541517179 -1.2127411013 C 6.0 5.3147352877 -8.3333816908 -0.2562109391 H 1.0 3.9021575530 -9.8609114574 -0.2963789547 H 1.0 6.5907047308 -8.6392149446 1.3650643542 H 1.0 6.4687285875 -8.4450985117 -1.9900553199 C 6.0 2.9108658814 0.8689640393 -3.7062893441 H 1.0 1.3971726885 -0.4851115583 -4.1792537438 H 1.0 2.5457557027 2.6676071241 -4.6926129261 H 1.0 4.7319872568 0.0958072179 -4.3520559573 C 6.0 3.2588929371 -0.5312529978 3.6194394274 H 1.0 3.3702204744 -2.3408810598 4.6439997251 H 1.0 1.5391874862 0.4827550700 4.2247583455 H 1.0 4.9281238068 0.6215478849 4.0933260134 H 1.0 5.0655163347 9.0849257161 2.1294604060 F 9.0 -8.1431864393 -0.6214760753 0.2128266099 F 9.0 -5.7754958370 -0.1617076322 -3.1741651827 C 6.0 4.9604192239 3.3440572181 -0.2558783474 S 16.0 0.7098283241 5.9745425650 -0.0899830824 H 1.0 6.9830609787 2.8973807967 -0.3029079580 INTERNUCLEAR DISTANCES (ANGS.) ------------------------------ 1 C 2 C 3 C 4 C 5 S 1 C 0.0000000 1.3741141 * 2.3508713 * 2.5947559 * 1.7714270 * 2 C 1.3741141 * 0.0000000 1.4355800 * 2.4682981 * 2.6530075 * 3 C 2.3508713 * 1.4355800 * 0.0000000 1.5307315 * 2.6967732 * 4 C 2.5947559 * 2.4682981 * 1.5307315 * 0.0000000 1.8598821 * 5 S 1.7714270 * 2.6530075 * 2.6967732 * 1.8598821 * 0.0000000 6 H 2.1702434 * 1.0940094 * 2.2356484 * 3.5041772 3.7001616 7 C 4.8725519 4.2939666 2.8794511 * 2.4809147 * 4.1824862 8 C 6.1126380 6.0407482 4.8076359 3.6530064 4.7463984 9 C 3.8707123 3.6956403 2.5214412 * 1.5396977 * 2.8396951 * 10 C 4.7755071 3.8515214 2.4650692 * 2.8159844 * 4.5878693 11 C 3.6807460 2.5540255 * 1.3707067 * 2.4660032 * 3.9805528 12 C 6.0455392 4.9482979 3.6965844 4.2719181 6.0446999 13 C 5.9287003 4.6663774 3.7340809 4.7766397 6.3379026 14 C 4.5940779 3.2620896 2.5918690 * 3.9168666 5.2800803 15 F 6.5759822 5.4707302 4.2840538 4.7831026 6.6050710 16 F 7.1103300 6.0946702 4.7913522 5.1627393 6.9154120 17 F 4.5387794 3.2250376 3.0626102 4.5439223 5.5360723 18 F 4.9857108 3.6530184 3.2061273 4.4722750 5.8128168 19 C 7.4244334 7.4670747 6.2746011 5.0338683 5.9179636 20 H 7.3998802 7.6422785 6.5862985 5.2073981 5.7603500 21 H 8.1257866 8.1227521 6.9005471 5.7653294 6.6494530 22 C 1.4996583 * 2.5703139 * 3.7994803 4.0521548 2.8185443 * 23 H 2.1471497 * 2.7070445 * 4.1116164 4.7074653 3.7631064 24 H 2.1530708 * 3.2739394 4.3974672 4.4181379 3.0827675 25 H 2.1545592 * 3.2957924 4.4044468 4.5250076 3.0415121 26 C 4.0714620 3.9506385 3.0430718 2.5735490 * 3.2314178 27 H 3.8270521 3.4491401 2.6527307 * 2.7850426 * 3.4919037 28 H 5.1736593 4.9939420 3.9852165 3.5060098 4.2663169 29 H 3.8818283 4.1184312 3.5293180 2.8941345 * 2.8633401 * 30 C 3.4308809 3.2952665 2.4818943 * 1.5440679 * 2.7622713 * 31 H 3.1138597 3.0459547 2.6853885 * 2.1715103 * 2.8759558 * 32 H 4.2407373 3.7814932 2.7282125 * 2.1826431 * 3.7545715 33 H 4.0800779 4.2174679 3.4573041 2.1930430 * 2.9954698 * 34 H 7.9867015 7.9533317 6.7184251 5.5122135 6.5415381 35 F 7.0069333 5.6809830 4.8850170 5.9840026 7.5508083 36 F 6.2135353 5.0416817 4.1750767 5.1786977 6.5751139 37 C 4.8711867 4.9710763 3.8982458 2.5767431 * 3.4184414 38 S 6.4808635 6.0203909 4.6165133 3.9640041 5.5099212 39 H 4.8675866 5.2614121 4.4221973 2.9706427 * 3.1956883 6 H 7 C 8 C 9 C 10 C 1 C 2.1702434 * 4.8725519 6.1126380 3.8707123 4.7755071 2 C 1.0940094 * 4.2939666 6.0407482 3.6956403 3.8515214 3 C 2.2356484 * 2.8794511 * 4.8076359 2.5214412 * 2.4650692 * 4 C 3.5041772 2.4809147 * 3.6530064 1.5396977 * 2.8159844 * 5 S 3.7001616 4.1824862 4.7463984 2.8396951 * 4.5878693 6 H 0.0000000 5.0661273 7.0135811 4.6634484 4.3791566 7 C 5.0661273 0.0000000 2.5211356 * 1.5337755 * 1.3652230 * 8 C 7.0135811 2.5211356 * 0.0000000 2.4207345 * 3.8701326 9 C 4.6634484 1.5337755 * 2.4207345 * 0.0000000 2.4960180 * 10 C 4.3791566 1.3652230 * 3.8701326 2.4960180 * 0.0000000 11 C 2.9460217 * 2.4513289 * 4.8430952 2.8501108 * 1.4546656 * 12 C 5.2269289 2.5983481 * 4.9117542 3.9467805 1.4960425 * 13 C 4.6387244 3.6695984 6.1463814 4.7100371 2.3714839 * 14 C 3.1306164 3.6971518 6.1927242 4.3155296 2.4106990 * 15 F 5.7016887 3.3460254 5.4083490 4.6920087 2.3738879 * 16 F 6.4260291 3.0015497 4.9080478 4.4609741 2.3969242 * 17 F 2.7647624 * 4.6686676 7.1103725 5.0125721 3.5107272 18 F 3.3559846 4.5020393 6.9034514 5.1426899 3.2280678 19 C 8.4656097 3.9725719 1.4998497 * 3.8765917 5.2963923 20 H 8.6917665 4.6414538 2.1436334 * 4.1987200 5.9865875 21 H 9.0935300 4.4216802 2.1550488 * 4.4381680 5.7255151 22 C 2.8778969 * 6.3657121 7.4758605 5.2985340 6.2489292 23 H 2.5679661 * 6.8778133 8.2570850 5.9775074 6.5517796 24 H 3.6297185 6.8566046 7.7549988 5.7570750 6.8172925 25 H 3.6477833 6.7574252 7.6839862 5.5563844 6.7661334 26 C 4.8108929 2.4734127 * 3.3041120 1.5533481 * 3.1710319 27 H 4.1330430 2.7489538 * 4.2209948 2.1987074 * 2.9488400 * 28 H 5.8048977 2.6410569 * 3.0866208 2.1719033 * 3.4860578 29 H 5.0253320 3.4494615 3.7920643 2.1991832 * 4.1782917 30 C 4.2018480 3.0126676 3.8513298 2.5617732 * 3.2977778 31 H 3.8271124 3.9848682 4.9411995 3.5046015 4.0155657 32 H 4.5414391 2.6564704 * 3.8098865 2.8136508 * 2.7493862 * 33 H 5.1851933 3.4425269 3.4893640 2.8269280 * 4.0577667 34 H 8.9228596 4.3532693 2.1559890 * 4.5022703 5.5735573 35 F 5.4738916 4.8751603 7.2983838 5.9991605 3.5739970 36 F 5.0274564 3.9562114 6.3147508 4.8609344 2.9080193 * 37 C 6.0039440 2.4120454 * 1.3553535 * 1.5087890 * 3.6794508 38 S 6.8182185 1.7545326 * 1.7957584 * 2.7341566 * 2.8193330 * 39 H 6.3422458 3.4582217 2.1511671 * 2.2872357 * 4.6574992 11 C 12 C 13 C 14 C 15 F 1 C 3.6807460 6.0455392 5.9287003 4.5940779 6.5759822 2 C 2.5540255 * 4.9482979 4.6663774 3.2620896 5.4707302 3 C 1.3707067 * 3.6965844 3.7340809 2.5918690 * 4.2840538 4 C 2.4660032 * 4.2719181 4.7766397 3.9168666 4.7831026 5 S 3.9805528 6.0446999 6.3379026 5.2800803 6.6050710 6 H 2.9460217 * 5.2269289 4.6387244 3.1306164 5.7016887 7 C 2.4513289 * 2.5983481 * 3.6695984 3.6971518 3.3460254 8 C 4.8430952 4.9117542 6.1463814 6.1927242 5.4083490 9 C 2.8501108 * 3.9467805 4.7100371 4.3155296 4.6920087 10 C 1.4546656 * 1.4960425 * 2.3714839 * 2.4106990 * 2.3738879 * 11 C 0.0000000 2.3990530 * 2.3909048 * 1.4993155 * 3.1017482 12 C 2.3990530 * 0.0000000 1.5482302 * 2.4405472 * 1.3662486 * 13 C 2.3909048 * 1.5482302 * 0.0000000 1.5497036 * 2.3693785 * 14 C 1.4993155 * 2.4405472 * 1.5497036 * 0.0000000 3.0127077 15 F 3.1017482 1.3662486 * 2.3693785 * 3.0127077 0.0000000 16 F 3.5582194 1.3559758 * 2.4106668 * 3.6397058 2.1952091 * 17 F 2.4000345 * 3.6250887 2.4100974 * 1.3598737 * 4.3253877 18 F 2.3745608 * 3.0690996 2.3749896 * 1.3655838 * 3.0258169 19 C 6.3281369 6.1999686 7.5206986 7.6562435 6.5830378 20 H 6.8526853 7.0347833 8.2869470 8.2601519 7.4246415 21 H 6.8427831 6.5081719 7.8055257 8.1029375 7.0092706 22 C 5.0775044 7.4694168 7.2116915 5.7979930 7.9717667 23 H 5.2402281 7.6253800 7.1591214 5.6813337 8.1019035 24 H 5.7126542 8.0615581 7.9263573 6.4942671 8.4255604 25 H 5.6732442 8.0396838 7.7796489 6.4492036 8.6743280 26 C 3.3327776 4.4774485 4.9120911 4.5972818 5.5278597 27 H 2.7961690 * 4.1254944 4.2266504 3.8444010 5.2736130 28 H 3.9983005 4.5870268 5.1522004 5.1563295 5.7062636 29 H 4.1374000 5.5360571 5.8948175 5.4128585 6.5436698 30 C 3.1435011 4.5429163 5.2707730 4.4395087 4.6092856 31 H 3.5156540 5.1578238 5.6686713 4.6084611 5.1044455 32 H 2.8837152 * 3.7667322 4.6558862 4.0358508 3.6326446 33 H 4.1322246 5.3116781 6.2012030 5.4836119 5.3498496 34 H 6.6798269 6.3210089 7.7478114 7.9423504 6.4856601 35 F 3.5746564 2.4198867 * 1.3452172 * 2.4195117 * 2.6591279 * 36 F 2.9752691 * 2.3589587 * 1.3567472 * 2.3637899 * 3.5075118 37 C 4.2710687 5.0021531 6.0067199 5.7350336 5.5813877 38 S 4.1405122 3.4462756 4.8079454 5.2204675 3.9863885 39 H 5.0493247 6.0364948 6.9624003 6.5429530 6.5900520 16 F 17 F 18 F 19 C 20 H 1 C 7.1103300 4.5387794 4.9857108 7.4244334 7.3998802 2 C 6.0946702 3.2250376 3.6530184 7.4670747 7.6422785 3 C 4.7913522 3.0626102 3.2061273 6.2746011 6.5862985 4 C 5.1627393 4.5439223 4.4722750 5.0338683 5.2073981 5 S 6.9154120 5.5360723 5.8128168 5.9179636 5.7603500 6 H 6.4260291 2.7647624 * 3.3559846 8.4656097 8.6917665 7 C 3.0015497 4.6686676 4.5020393 3.9725719 4.6414538 8 C 4.9080478 7.1103725 6.9034514 1.4998497 * 2.1436334 * 9 C 4.4609741 5.0125721 5.1426899 3.8765917 4.1987200 10 C 2.3969242 * 3.5107272 3.2280678 5.2963923 5.9865875 11 C 3.5582194 2.4000345 * 2.3745608 * 6.3281369 6.8526853 12 C 1.3559758 * 3.6250887 3.0690996 6.1999686 7.0347833 13 C 2.4106668 * 2.4100974 * 2.3749896 * 7.5206986 8.2869470 14 C 3.6397058 1.3598737 * 1.3655838 * 7.6562435 8.2601519 15 F 2.1952091 * 4.3253877 3.0258169 6.5830378 7.4246415 16 F 0.0000000 4.6515365 4.3633602 6.0209570 6.9713775 17 F 4.6515365 0.0000000 2.1902908 * 8.6007363 9.1358792 18 F 4.3633602 2.1902908 * 0.0000000 8.3215939 8.9111093 19 C 6.0209570 8.6007363 8.3215939 0.0000000 1.1012224 * 20 H 6.9713775 9.1358792 8.9111093 1.1012224 * 0.0000000 21 H 6.1141690 8.9979720 8.8784539 1.1035774 * 1.7900935 * 22 C 8.5570884 5.5109519 6.0746530 8.7169579 8.5767339 23 H 8.7692279 5.2064831 5.8573136 9.5658560 9.5039330 24 H 9.1829666 6.3472235 6.6112204 8.9038049 8.6768637 25 H 9.0272572 6.0663225 6.8946882 8.8685018 8.6557284 26 C 4.8045974 4.9394231 5.6959754 4.6217580 4.8956176 27 H 4.5655836 3.9866021 5.0440107 5.6056130 5.9531652 28 H 4.5932212 5.5543589 6.3176602 4.2490886 4.6402778 29 H 5.9055397 5.6035326 6.4648640 4.9454324 4.9815539 30 C 5.5063856 5.3157412 4.5761937 5.0487264 5.2151730 31 H 6.2618125 5.3637571 4.5053697 6.0998140 6.1912018 32 H 4.7324382 5.1224888 4.0674978 5.0138721 5.3887243 33 H 6.1165087 6.3695997 5.6489990 4.4507365 4.4587918 34 H 6.1294782 9.0025173 8.4653146 1.1032832 * 1.7921595 * 35 F 3.0366803 3.0676333 2.6355601 * 8.6138985 9.4320119 36 F 2.6488990 * 2.6235275 * 3.5001916 7.6713827 8.4321252 37 C 5.2962394 6.5084101 6.4600298 2.5720494 * 2.7208050 * 38 S 3.1994399 6.2529920 5.9560115 2.8290533 * 3.7770643 39 H 6.3817397 7.2150730 7.2317493 2.8850336 * 2.5880915 * 21 H 22 C 23 H 24 H 25 H 1 C 8.1257866 1.4996583 * 2.1471497 * 2.1530708 * 2.1545592 * 2 C 8.1227521 2.5703139 * 2.7070445 * 3.2739394 3.2957924 3 C 6.9005471 3.7994803 4.1116164 4.3974672 4.4044468 4 C 5.7653294 4.0521548 4.7074653 4.4181379 4.5250076 5 S 6.6494530 2.8185443 * 3.7631064 3.0827675 3.0415121 6 H 9.0935300 2.8778969 * 2.5679661 * 3.6297185 3.6477833 7 C 4.4216802 6.3657121 6.8778133 6.8566046 6.7574252 8 C 2.1550488 * 7.4758605 8.2570850 7.7549988 7.6839862 9 C 4.4381680 5.2985340 5.9775074 5.7570750 5.5563844 10 C 5.7255151 6.2489292 6.5517796 6.8172925 6.7661334 11 C 6.8427831 5.0775044 5.2402281 5.7126542 5.6732442 12 C 6.5081719 7.4694168 7.6253800 8.0615581 8.0396838 13 C 7.8055257 7.2116915 7.1591214 7.9263573 7.7796489 14 C 8.1029375 5.7979930 5.6813337 6.4942671 6.4492036 15 F 7.0092706 7.9717667 8.1019035 8.4255604 8.6743280 16 F 6.1141690 8.5570884 8.7692279 9.1829666 9.0272572 17 F 8.9979720 5.5109519 5.2064831 6.3472235 6.0663225 18 F 8.8784539 6.0746530 5.8573136 6.6112204 6.8946882 19 C 1.1035774 * 8.7169579 9.5658560 8.9038049 8.8685018 20 H 1.7900935 * 8.5767339 9.5039330 8.6768637 8.6557284 21 H 0.0000000 9.4265020 10.2561906 9.6985944 9.5039413 22 C 9.4265020 0.0000000 1.1011893 * 1.1037077 * 1.1037371 * 23 H 10.2561906 1.1011893 * 0.0000000 1.7930617 * 1.7914313 * 24 H 9.6985944 1.1037077 * 1.7930617 * 0.0000000 1.7795931 * 25 H 9.5039413 1.1037371 * 1.7914313 * 1.7795931 * 0.0000000 26 C 4.8856020 5.3539767 5.9808824 6.0257771 5.3537364 27 H 5.8491360 5.0848649 5.5312893 5.8974576 5.1271421 28 H 4.2761431 6.4457757 7.0626922 7.1174102 6.3981394 29 H 5.2297182 4.9688241 5.7061254 5.6112980 4.7785142 30 C 5.9609321 4.7366645 5.3650836 4.7896307 5.4068976 31 H 7.0369056 4.2235925 4.7696796 4.1259521 5.0445030 32 H 5.8825207 5.6017383 6.1031310 5.7216276 6.3198665 33 H 5.4546924 5.2721222 6.0382827 5.1840283 5.8350057 34 H 1.7811642 * 9.3043593 10.1262854 9.4225602 9.5580774 35 F 8.8868001 8.2117865 8.0378657 8.8974091 8.8480243 36 F 7.7976173 7.4515211 7.4087306 8.2896195 7.8478558 37 C 3.2755302 6.1822788 7.0102057 6.4569187 6.3560017 38 S 3.0708824 7.9543895 8.5490410 8.3714399 8.2778826 39 H 3.6255630 6.0083298 6.9454596 6.1718747 6.0743196 26 C 27 H 28 H 29 H 30 C 1 C 4.0714620 3.8270521 5.1736593 3.8818283 3.4308809 2 C 3.9506385 3.4491401 4.9939420 4.1184312 3.2952665 3 C 3.0430718 2.6527307 * 3.9852165 3.5293180 2.4818943 * 4 C 2.5735490 * 2.7850426 * 3.5060098 2.8941345 * 1.5440679 * 5 S 3.2314178 3.4919037 4.2663169 2.8633401 * 2.7622713 * 6 H 4.8108929 4.1330430 5.8048977 5.0253320 4.2018480 7 C 2.4734127 * 2.7489538 * 2.6410569 * 3.4494615 3.0126676 8 C 3.3041120 4.2209948 3.0866208 3.7920643 3.8513298 9 C 1.5533481 * 2.1987074 * 2.1719033 * 2.1991832 * 2.5617732 * 10 C 3.1710319 2.9488400 * 3.4860578 4.1782917 3.2977778 11 C 3.3327776 2.7961690 * 3.9983005 4.1374000 3.1435011 12 C 4.4774485 4.1254944 4.5870268 5.5360571 4.5429163 13 C 4.9120911 4.2266504 5.1522004 5.8948175 5.2707730 14 C 4.5972818 3.8444010 5.1563295 5.4128585 4.4395087 15 F 5.5278597 5.2736130 5.7062636 6.5436698 4.6092856 16 F 4.8045974 4.5655836 4.5932212 5.9055397 5.5063856 17 F 4.9394231 3.9866021 5.5543589 5.6035326 5.3157412 18 F 5.6959754 5.0440107 6.3176602 6.4648640 4.5761937 19 C 4.6217580 5.6056130 4.2490886 4.9454324 5.0487264 20 H 4.8956176 5.9531652 4.6402778 4.9815539 5.2151730 21 H 4.8856020 5.8491360 4.2761431 5.2297182 5.9609321 22 C 5.3539767 5.0848649 6.4457757 4.9688241 4.7366645 23 H 5.9808824 5.5312893 7.0626922 5.7061254 5.3650836 24 H 6.0257771 5.8974576 7.1174102 5.6112980 4.7896307 25 H 5.3537364 5.1271421 6.3981394 4.7785142 5.4068976 26 C 0.0000000 1.1034942 * 1.1025769 * 1.1013079 * 3.9510810 27 H 1.1034942 * 0.0000000 1.7962754 * 1.7936155 * 4.2429241 28 H 1.1025769 * 1.7962754 * 0.0000000 1.7952873 * 4.7281176 29 H 1.1013079 * 1.7936155 * 1.7952873 * 0.0000000 4.3025706 30 C 3.9510810 4.2429241 4.7281176 4.3025706 0.0000000 31 H 4.7402421 4.8841254 5.6236638 4.9844136 1.1020199 * 32 H 4.2641370 4.4772384 4.8875548 4.8472591 1.1039416 * 33 H 4.2651996 4.7956391 4.9373899 4.4789579 1.1023983 * 34 H 5.4533640 6.3686704 5.1325244 5.8670831 5.2373798 35 F 6.2562304 5.5583116 6.4623547 7.2387646 6.2974442 36 F 4.6374263 3.8365156 4.7198912 5.5968079 5.9848475 37 C 2.4951193 * 3.4600316 2.6968733 * 2.7690678 * 3.0367264 38 S 3.5097327 4.0619898 3.1525222 4.3925714 4.1862878 39 H 3.0065583 4.0185937 3.3052186 2.8649828 * 3.3887912 31 H 32 H 33 H 34 H 35 F 1 C 3.1138597 4.2407373 4.0800779 7.9867015 7.0069333 2 C 3.0459547 3.7814932 4.2174679 7.9533317 5.6809830 3 C 2.6853885 * 2.7282125 * 3.4573041 6.7184251 4.8850170 4 C 2.1715103 * 2.1826431 * 2.1930430 * 5.5122135 5.9840026 5 S 2.8759558 * 3.7545715 2.9954698 * 6.5415381 7.5508083 6 H 3.8271124 4.5414391 5.1851933 8.9228596 5.4738916 7 C 3.9848682 2.6564704 * 3.4425269 4.3532693 4.8751603 8 C 4.9411995 3.8098865 3.4893640 2.1559890 * 7.2983838 9 C 3.5046015 2.8136508 * 2.8269280 * 4.5022703 5.9991605 10 C 4.0155657 2.7493862 * 4.0577667 5.5735573 3.5739970 11 C 3.5156540 2.8837152 * 4.1322246 6.6798269 3.5746564 12 C 5.1578238 3.7667322 5.3116781 6.3210089 2.4198867 * 13 C 5.6686713 4.6558862 6.2012030 7.7478114 1.3452172 * 14 C 4.6084611 4.0358508 5.4836119 7.9423504 2.4195117 * 15 F 5.1044455 3.6326446 5.3498496 6.4856601 2.6591279 * 16 F 6.2618125 4.7324382 6.1165087 6.1294782 3.0366803 17 F 5.3637571 5.1224888 6.3695997 9.0025173 3.0676333 18 F 4.5053697 4.0674978 5.6489990 8.4653146 2.6355601 * 19 C 6.0998140 5.0138721 4.4507365 1.1032832 * 8.6138985 20 H 6.1912018 5.3887243 4.4587918 1.7921595 * 9.4320119 21 H 7.0369056 5.8825207 5.4546924 1.7811642 * 8.8868001 22 C 4.2235925 5.6017383 5.2721222 9.3043593 8.2117865 23 H 4.7696796 6.1031310 6.0382827 10.1262854 8.0378657 24 H 4.1259521 5.7216276 5.1840283 9.4225602 8.8974091 25 H 5.0445030 6.3198665 5.8350057 9.5580774 8.8480243 26 C 4.7402421 4.2641370 4.2651996 5.4533640 6.2562304 27 H 4.8841254 4.4772384 4.7956391 6.3686704 5.5583116 28 H 5.6236638 4.8875548 4.9373899 5.1325244 6.4623547 29 H 4.9844136 4.8472591 4.4789579 5.8670831 7.2387646 30 C 1.1020199 * 1.1039416 * 1.1023983 * 5.2373798 6.2974442 31 H 0.0000000 1.7946339 * 1.7950180 * 6.2556271 6.5913947 32 H 1.7946339 * 0.0000000 1.7961984 * 5.0431066 5.5768174 33 H 1.7950180 * 1.7961984 * 0.0000000 4.5981943 7.2453340 34 H 6.2556271 5.0431066 4.5981943 0.0000000 8.7331491 35 F 6.5913947 5.5768174 7.2453340 8.7331491 0.0000000 36 F 6.4706202 5.5162507 6.8588678 8.0455170 2.2003251 * 37 C 4.0597263 3.3454710 2.7152867 * 3.2902085 7.2489484 38 S 5.2555201 3.7217589 4.2317191 3.0661441 5.8443555 39 H 4.2651785 3.9587954 2.8363632 * 3.6616276 8.2227350 36 F 37 C 38 S 39 H 1 C 6.2135353 4.8711867 6.4808635 4.8675866 2 C 5.0416817 4.9710763 6.0203909 5.2614121 3 C 4.1750767 3.8982458 4.6165133 4.4221973 4 C 5.1786977 2.5767431 * 3.9640041 2.9706427 * 5 S 6.5751139 3.4184414 5.5099212 3.1956883 6 H 5.0274564 6.0039440 6.8182185 6.3422458 7 C 3.9562114 2.4120454 * 1.7545326 * 3.4582217 8 C 6.3147508 1.3553535 * 1.7957584 * 2.1511671 * 9 C 4.8609344 1.5087890 * 2.7341566 * 2.2872357 * 10 C 2.9080193 * 3.6794508 2.8193330 * 4.6574992 11 C 2.9752691 * 4.2710687 4.1405122 5.0493247 12 C 2.3589587 * 5.0021531 3.4462756 6.0364948 13 C 1.3567472 * 6.0067199 4.8079454 6.9624003 14 C 2.3637899 * 5.7350336 5.2204675 6.5429530 15 F 3.5075118 5.5813877 3.9863885 6.5900520 16 F 2.6488990 * 5.2962394 3.1994399 6.3817397 17 F 2.6235275 * 6.5084101 6.2529920 7.2150730 18 F 3.5001916 6.4600298 5.9560115 7.2317493 19 C 7.6713827 2.5720494 * 2.8290533 * 2.8850336 * 20 H 8.4321252 2.7208050 * 3.7770643 2.5880915 * 21 H 7.7976173 3.2755302 3.0708824 3.6255630 22 C 7.4515211 6.1822788 7.9543895 6.0083298 23 H 7.4087306 7.0102057 8.5490410 6.9454596 24 H 8.2896195 6.4569187 8.3714399 6.1718747 25 H 7.8478558 6.3560017 8.2778826 6.0743196 26 C 4.6374263 2.4951193 * 3.5097327 3.0065583 27 H 3.8365156 3.4600316 4.0619898 4.0185937 28 H 4.7198912 2.6968733 * 3.1525222 3.3052186 29 H 5.5968079 2.7690678 * 4.3925714 2.8649828 * 30 C 5.9848475 3.0367264 4.1862878 3.3887912 31 H 6.4706202 4.0597263 5.2555201 4.2651785 32 H 5.5162507 3.3454710 3.7217589 3.9587954 33 H 6.8588678 2.7152867 * 4.2317191 2.8363632 * 34 H 8.0455170 3.2902085 3.0661441 3.6616276 35 F 2.2003251 * 7.2489484 5.8443555 8.2227350 36 F 0.0000000 6.1727263 4.9985595 7.1072053 37 C 6.1727263 0.0000000 2.6466533 * 1.0964077 * 38 S 4.9985595 2.6466533 * 0.0000000 3.6992370 39 H 7.1072053 1.0964077 * 3.6992370 0.0000000 * ... LESS THAN 3.000 ATOMIC BASIS SET ---------------- THE CONTRACTED PRIMITIVE FUNCTIONS HAVE BEEN UNNORMALIZED THE CONTRACTED BASIS FUNCTIONS ARE NOW NORMALIZED TO UNITY SHELL TYPE PRIMITIVE EXPONENT CONTRACTION COEFFICIENT(S) C 1 S 1 6665.0000000 0.000691583963 1 S 2 1000.0000000 0.005325796153 1 S 3 228.0000000 0.027060721042 1 S 4 64.7100000 0.101656846141 1 S 5 21.0600000 0.274574823617 1 S 6 7.4950000 0.448294318924 1 S 7 2.7970000 0.284902610715 1 S 8 0.5215000 0.015194859206 2 S 9 6665.0000000 -0.000293269653 2 S 10 1000.0000000 -0.002318035474 2 S 11 228.0000000 -0.011499786039 2 S 12 64.7100000 -0.046826727010 2 S 13 21.0600000 -0.128466168750 2 S 14 7.4950000 -0.301266272463 2 S 15 2.7970000 -0.255630702330 2 S 16 0.5215000 1.093793361012 3 S 17 0.1596000 1.000000000000 4 P 18 9.4390000 0.056979251590 4 P 19 2.0020000 0.313207211501 4 P 20 0.5456000 0.760376741738 5 P 21 0.1517000 1.000000000000 6 D 22 0.5500000 1.000000000000 C 7 S 23 6665.0000000 0.000691583963 7 S 24 1000.0000000 0.005325796153 7 S 25 228.0000000 0.027060721042 7 S 26 64.7100000 0.101656846141 7 S 27 21.0600000 0.274574823617 7 S 28 7.4950000 0.448294318924 7 S 29 2.7970000 0.284902610715 7 S 30 0.5215000 0.015194859206 8 S 31 6665.0000000 -0.000293269653 8 S 32 1000.0000000 -0.002318035474 8 S 33 228.0000000 -0.011499786039 8 S 34 64.7100000 -0.046826727010 8 S 35 21.0600000 -0.128466168750 8 S 36 7.4950000 -0.301266272463 8 S 37 2.7970000 -0.255630702330 8 S 38 0.5215000 1.093793361012 9 S 39 0.1596000 1.000000000000 10 P 40 9.4390000 0.056979251590 10 P 41 2.0020000 0.313207211501 10 P 42 0.5456000 0.760376741738 11 P 43 0.1517000 1.000000000000 12 D 44 0.5500000 1.000000000000 C 13 S 45 6665.0000000 0.000691583963 13 S 46 1000.0000000 0.005325796153 13 S 47 228.0000000 0.027060721042 13 S 48 64.7100000 0.101656846141 13 S 49 21.0600000 0.274574823617 13 S 50 7.4950000 0.448294318924 13 S 51 2.7970000 0.284902610715 13 S 52 0.5215000 0.015194859206 14 S 53 6665.0000000 -0.000293269653 14 S 54 1000.0000000 -0.002318035474 14 S 55 228.0000000 -0.011499786039 14 S 56 64.7100000 -0.046826727010 14 S 57 21.0600000 -0.128466168750 14 S 58 7.4950000 -0.301266272463 14 S 59 2.7970000 -0.255630702330 14 S 60 0.5215000 1.093793361012 15 S 61 0.1596000 1.000000000000 16 P 62 9.4390000 0.056979251590 16 P 63 2.0020000 0.313207211501 16 P 64 0.5456000 0.760376741738 17 P 65 0.1517000 1.000000000000 18 D 66 0.5500000 1.000000000000 C 19 S 67 6665.0000000 0.000691583963 19 S 68 1000.0000000 0.005325796153 19 S 69 228.0000000 0.027060721042 19 S 70 64.7100000 0.101656846141 19 S 71 21.0600000 0.274574823617 19 S 72 7.4950000 0.448294318924 19 S 73 2.7970000 0.284902610715 19 S 74 0.5215000 0.015194859206 20 S 75 6665.0000000 -0.000293269653 20 S 76 1000.0000000 -0.002318035474 20 S 77 228.0000000 -0.011499786039 20 S 78 64.7100000 -0.046826727010 20 S 79 21.0600000 -0.128466168750 20 S 80 7.4950000 -0.301266272463 20 S 81 2.7970000 -0.255630702330 20 S 82 0.5215000 1.093793361012 21 S 83 0.1596000 1.000000000000 22 P 84 9.4390000 0.056979251590 22 P 85 2.0020000 0.313207211501 22 P 86 0.5456000 0.760376741738 23 P 87 0.1517000 1.000000000000 24 D 88 0.5500000 1.000000000000 S 25 S 89 110800.0000000 0.000247631104 25 S 90 16610.0000000 0.001920229785 25 S 91 3781.0000000 0.009961763253 25 S 92 1071.0000000 0.040296865935 25 S 93 349.8000000 0.128601976468 25 S 94 126.3000000 0.303475224866 25 S 95 49.2600000 0.421425368939 25 S 96 20.1600000 0.230777368755 25 S 97 5.7200000 0.017896818396 25 S 98 2.1820000 -0.002975113187 25 S 99 0.4327000 0.000849508633 26 S 100 110800.0000000 -0.000068497729 26 S 101 16610.0000000 -0.000526097502 26 S 102 3781.0000000 -0.002788317458 26 S 103 1071.0000000 -0.011231294983 26 S 104 349.8000000 -0.038766716261 26 S 105 126.3000000 -0.099203906674 26 S 106 49.2600000 -0.199140607714 26 S 107 20.1600000 -0.122989813596 26 S 108 5.7200000 0.511653975344 26 S 109 2.1820000 0.605298116328 26 S 110 0.4327000 0.039556239878 27 S 111 110800.0000000 0.000036677084 27 S 112 16610.0000000 0.000282770430 27 S 113 3781.0000000 0.001491393257 27 S 114 1071.0000000 0.006060874455 27 S 115 349.8000000 0.020812550676 27 S 116 126.3000000 0.054604688378 27 S 117 49.2600000 0.110513949520 27 S 118 20.1600000 0.076135021216 27 S 119 5.7200000 -0.382241109253 27 S 120 2.1820000 -0.723841672563 27 S 121 0.4327000 1.165916999623 28 S 122 0.1570000 1.000000000000 29 P 123 399.7000000 0.004475383311 29 P 124 94.1900000 0.034170596222 29 P 125 29.7500000 0.144249139765 29 P 126 10.7700000 0.353925889351 29 P 127 4.1190000 0.459082262247 29 P 128 1.6250000 0.206381769235 29 P 129 0.4726000 0.010214039088 30 P 130 399.7000000 -0.002016423974 30 P 131 94.1900000 -0.015015317230 30 P 132 29.7500000 -0.067800870671 30 P 133 10.7700000 -0.162114756607 30 P 134 4.1190000 -0.256702006572 30 P 135 1.6250000 0.052366557152 30 P 136 0.4726000 0.974072705222 31 P 137 0.1407000 1.000000000000 32 D 138 0.4810000 1.000000000000 33 D 139 2.9940000 1.000000000000 H 34 S 140 13.0100000 0.033498726390 34 S 141 1.9620000 0.234800801174 34 S 142 0.4446000 0.813682957883 35 S 143 0.1220000 1.000000000000 36 P 144 0.7270000 1.000000000000 C 37 S 145 6665.0000000 0.000691583963 37 S 146 1000.0000000 0.005325796153 37 S 147 228.0000000 0.027060721042 37 S 148 64.7100000 0.101656846141 37 S 149 21.0600000 0.274574823617 37 S 150 7.4950000 0.448294318924 37 S 151 2.7970000 0.284902610715 37 S 152 0.5215000 0.015194859206 38 S 153 6665.0000000 -0.000293269653 38 S 154 1000.0000000 -0.002318035474 38 S 155 228.0000000 -0.011499786039 38 S 156 64.7100000 -0.046826727010 38 S 157 21.0600000 -0.128466168750 38 S 158 7.4950000 -0.301266272463 38 S 159 2.7970000 -0.255630702330 38 S 160 0.5215000 1.093793361012 39 S 161 0.1596000 1.000000000000 40 P 162 9.4390000 0.056979251590 40 P 163 2.0020000 0.313207211501 40 P 164 0.5456000 0.760376741738 41 P 165 0.1517000 1.000000000000 42 D 166 0.5500000 1.000000000000 C 43 S 167 6665.0000000 0.000691583963 43 S 168 1000.0000000 0.005325796153 43 S 169 228.0000000 0.027060721042 43 S 170 64.7100000 0.101656846141 43 S 171 21.0600000 0.274574823617 43 S 172 7.4950000 0.448294318924 43 S 173 2.7970000 0.284902610715 43 S 174 0.5215000 0.015194859206 44 S 175 6665.0000000 -0.000293269653 44 S 176 1000.0000000 -0.002318035474 44 S 177 228.0000000 -0.011499786039 44 S 178 64.7100000 -0.046826727010 44 S 179 21.0600000 -0.128466168750 44 S 180 7.4950000 -0.301266272463 44 S 181 2.7970000 -0.255630702330 44 S 182 0.5215000 1.093793361012 45 S 183 0.1596000 1.000000000000 46 P 184 9.4390000 0.056979251590 46 P 185 2.0020000 0.313207211501 46 P 186 0.5456000 0.760376741738 47 P 187 0.1517000 1.000000000000 48 D 188 0.5500000 1.000000000000 C 49 S 189 6665.0000000 0.000691583963 49 S 190 1000.0000000 0.005325796153 49 S 191 228.0000000 0.027060721042 49 S 192 64.7100000 0.101656846141 49 S 193 21.0600000 0.274574823617 49 S 194 7.4950000 0.448294318924 49 S 195 2.7970000 0.284902610715 49 S 196 0.5215000 0.015194859206 50 S 197 6665.0000000 -0.000293269653 50 S 198 1000.0000000 -0.002318035474 50 S 199 228.0000000 -0.011499786039 50 S 200 64.7100000 -0.046826727010 50 S 201 21.0600000 -0.128466168750 50 S 202 7.4950000 -0.301266272463 50 S 203 2.7970000 -0.255630702330 50 S 204 0.5215000 1.093793361012 51 S 205 0.1596000 1.000000000000 52 P 206 9.4390000 0.056979251590 52 P 207 2.0020000 0.313207211501 52 P 208 0.5456000 0.760376741738 53 P 209 0.1517000 1.000000000000 54 D 210 0.5500000 1.000000000000 C 55 S 211 6665.0000000 0.000691583963 55 S 212 1000.0000000 0.005325796153 55 S 213 228.0000000 0.027060721042 55 S 214 64.7100000 0.101656846141 55 S 215 21.0600000 0.274574823617 55 S 216 7.4950000 0.448294318924 55 S 217 2.7970000 0.284902610715 55 S 218 0.5215000 0.015194859206 56 S 219 6665.0000000 -0.000293269653 56 S 220 1000.0000000 -0.002318035474 56 S 221 228.0000000 -0.011499786039 56 S 222 64.7100000 -0.046826727010 56 S 223 21.0600000 -0.128466168750 56 S 224 7.4950000 -0.301266272463 56 S 225 2.7970000 -0.255630702330 56 S 226 0.5215000 1.093793361012 57 S 227 0.1596000 1.000000000000 58 P 228 9.4390000 0.056979251590 58 P 229 2.0020000 0.313207211501 58 P 230 0.5456000 0.760376741738 59 P 231 0.1517000 1.000000000000 60 D 232 0.5500000 1.000000000000 C 61 S 233 6665.0000000 0.000691583963 61 S 234 1000.0000000 0.005325796153 61 S 235 228.0000000 0.027060721042 61 S 236 64.7100000 0.101656846141 61 S 237 21.0600000 0.274574823617 61 S 238 7.4950000 0.448294318924 61 S 239 2.7970000 0.284902610715 61 S 240 0.5215000 0.015194859206 62 S 241 6665.0000000 -0.000293269653 62 S 242 1000.0000000 -0.002318035474 62 S 243 228.0000000 -0.011499786039 62 S 244 64.7100000 -0.046826727010 62 S 245 21.0600000 -0.128466168750 62 S 246 7.4950000 -0.301266272463 62 S 247 2.7970000 -0.255630702330 62 S 248 0.5215000 1.093793361012 63 S 249 0.1596000 1.000000000000 64 P 250 9.4390000 0.056979251590 64 P 251 2.0020000 0.313207211501 64 P 252 0.5456000 0.760376741738 65 P 253 0.1517000 1.000000000000 66 D 254 0.5500000 1.000000000000 C 67 S 255 6665.0000000 0.000691583963 67 S 256 1000.0000000 0.005325796153 67 S 257 228.0000000 0.027060721042 67 S 258 64.7100000 0.101656846141 67 S 259 21.0600000 0.274574823617 67 S 260 7.4950000 0.448294318924 67 S 261 2.7970000 0.284902610715 67 S 262 0.5215000 0.015194859206 68 S 263 6665.0000000 -0.000293269653 68 S 264 1000.0000000 -0.002318035474 68 S 265 228.0000000 -0.011499786039 68 S 266 64.7100000 -0.046826727010 68 S 267 21.0600000 -0.128466168750 68 S 268 7.4950000 -0.301266272463 68 S 269 2.7970000 -0.255630702330 68 S 270 0.5215000 1.093793361012 69 S 271 0.1596000 1.000000000000 70 P 272 9.4390000 0.056979251590 70 P 273 2.0020000 0.313207211501 70 P 274 0.5456000 0.760376741738 71 P 275 0.1517000 1.000000000000 72 D 276 0.5500000 1.000000000000 C 73 S 277 6665.0000000 0.000691583963 73 S 278 1000.0000000 0.005325796153 73 S 279 228.0000000 0.027060721042 73 S 280 64.7100000 0.101656846141 73 S 281 21.0600000 0.274574823617 73 S 282 7.4950000 0.448294318924 73 S 283 2.7970000 0.284902610715 73 S 284 0.5215000 0.015194859206 74 S 285 6665.0000000 -0.000293269653 74 S 286 1000.0000000 -0.002318035474 74 S 287 228.0000000 -0.011499786039 74 S 288 64.7100000 -0.046826727010 74 S 289 21.0600000 -0.128466168750 74 S 290 7.4950000 -0.301266272463 74 S 291 2.7970000 -0.255630702330 74 S 292 0.5215000 1.093793361012 75 S 293 0.1596000 1.000000000000 76 P 294 9.4390000 0.056979251590 76 P 295 2.0020000 0.313207211501 76 P 296 0.5456000 0.760376741738 77 P 297 0.1517000 1.000000000000 78 D 298 0.5500000 1.000000000000 C 79 S 299 6665.0000000 0.000691583963 79 S 300 1000.0000000 0.005325796153 79 S 301 228.0000000 0.027060721042 79 S 302 64.7100000 0.101656846141 79 S 303 21.0600000 0.274574823617 79 S 304 7.4950000 0.448294318924 79 S 305 2.7970000 0.284902610715 79 S 306 0.5215000 0.015194859206 80 S 307 6665.0000000 -0.000293269653 80 S 308 1000.0000000 -0.002318035474 80 S 309 228.0000000 -0.011499786039 80 S 310 64.7100000 -0.046826727010 80 S 311 21.0600000 -0.128466168750 80 S 312 7.4950000 -0.301266272463 80 S 313 2.7970000 -0.255630702330 80 S 314 0.5215000 1.093793361012 81 S 315 0.1596000 1.000000000000 82 P 316 9.4390000 0.056979251590 82 P 317 2.0020000 0.313207211501 82 P 318 0.5456000 0.760376741738 83 P 319 0.1517000 1.000000000000 84 D 320 0.5500000 1.000000000000 F 85 S 321 14710.0000000 0.000720673709 85 S 322 2207.0000000 0.005550486969 85 S 323 502.8000000 0.028254207663 85 S 324 142.6000000 0.106395828367 85 S 325 46.4700000 0.286684201243 85 S 326 16.7000000 0.448437965824 85 S 327 6.3560000 0.264641181411 85 S 328 1.3160000 0.015326060993 86 S 329 14710.0000000 -0.000321193890 86 S 330 2207.0000000 -0.002546191568 86 S 331 502.8000000 -0.012643359508 86 S 332 142.6000000 -0.051957491705 86 S 333 46.4700000 -0.143447138126 86 S 334 16.7000000 -0.332437623296 86 S 335 6.3560000 -0.218659067503 86 S 336 1.3160000 1.095590413862 87 S 337 0.3897000 1.000000000000 88 P 338 22.6700000 0.064834021494 88 P 339 4.9770000 0.340535359831 88 P 340 1.3470000 0.734646406794 89 P 341 0.3471000 1.000000000000 90 D 342 1.6400000 1.000000000000 F 91 S 343 14710.0000000 0.000720673709 91 S 344 2207.0000000 0.005550486969 91 S 345 502.8000000 0.028254207663 91 S 346 142.6000000 0.106395828367 91 S 347 46.4700000 0.286684201243 91 S 348 16.7000000 0.448437965824 91 S 349 6.3560000 0.264641181411 91 S 350 1.3160000 0.015326060993 92 S 351 14710.0000000 -0.000321193890 92 S 352 2207.0000000 -0.002546191568 92 S 353 502.8000000 -0.012643359508 92 S 354 142.6000000 -0.051957491705 92 S 355 46.4700000 -0.143447138126 92 S 356 16.7000000 -0.332437623296 92 S 357 6.3560000 -0.218659067503 92 S 358 1.3160000 1.095590413862 93 S 359 0.3897000 1.000000000000 94 P 360 22.6700000 0.064834021494 94 P 361 4.9770000 0.340535359831 94 P 362 1.3470000 0.734646406794 95 P 363 0.3471000 1.000000000000 96 D 364 1.6400000 1.000000000000 F 97 S 365 14710.0000000 0.000720673709 97 S 366 2207.0000000 0.005550486969 97 S 367 502.8000000 0.028254207663 97 S 368 142.6000000 0.106395828367 97 S 369 46.4700000 0.286684201243 97 S 370 16.7000000 0.448437965824 97 S 371 6.3560000 0.264641181411 97 S 372 1.3160000 0.015326060993 98 S 373 14710.0000000 -0.000321193890 98 S 374 2207.0000000 -0.002546191568 98 S 375 502.8000000 -0.012643359508 98 S 376 142.6000000 -0.051957491705 98 S 377 46.4700000 -0.143447138126 98 S 378 16.7000000 -0.332437623296 98 S 379 6.3560000 -0.218659067503 98 S 380 1.3160000 1.095590413862 99 S 381 0.3897000 1.000000000000 100 P 382 22.6700000 0.064834021494 100 P 383 4.9770000 0.340535359831 100 P 384 1.3470000 0.734646406794 101 P 385 0.3471000 1.000000000000 102 D 386 1.6400000 1.000000000000 F 103 S 387 14710.0000000 0.000720673709 103 S 388 2207.0000000 0.005550486969 103 S 389 502.8000000 0.028254207663 103 S 390 142.6000000 0.106395828367 103 S 391 46.4700000 0.286684201243 103 S 392 16.7000000 0.448437965824 103 S 393 6.3560000 0.264641181411 103 S 394 1.3160000 0.015326060993 104 S 395 14710.0000000 -0.000321193890 104 S 396 2207.0000000 -0.002546191568 104 S 397 502.8000000 -0.012643359508 104 S 398 142.6000000 -0.051957491705 104 S 399 46.4700000 -0.143447138126 104 S 400 16.7000000 -0.332437623296 104 S 401 6.3560000 -0.218659067503 104 S 402 1.3160000 1.095590413862 105 S 403 0.3897000 1.000000000000 106 P 404 22.6700000 0.064834021494 106 P 405 4.9770000 0.340535359831 106 P 406 1.3470000 0.734646406794 107 P 407 0.3471000 1.000000000000 108 D 408 1.6400000 1.000000000000 C 109 S 409 6665.0000000 0.000691583963 109 S 410 1000.0000000 0.005325796153 109 S 411 228.0000000 0.027060721042 109 S 412 64.7100000 0.101656846141 109 S 413 21.0600000 0.274574823617 109 S 414 7.4950000 0.448294318924 109 S 415 2.7970000 0.284902610715 109 S 416 0.5215000 0.015194859206 110 S 417 6665.0000000 -0.000293269653 110 S 418 1000.0000000 -0.002318035474 110 S 419 228.0000000 -0.011499786039 110 S 420 64.7100000 -0.046826727010 110 S 421 21.0600000 -0.128466168750 110 S 422 7.4950000 -0.301266272463 110 S 423 2.7970000 -0.255630702330 110 S 424 0.5215000 1.093793361012 111 S 425 0.1596000 1.000000000000 112 P 426 9.4390000 0.056979251590 112 P 427 2.0020000 0.313207211501 112 P 428 0.5456000 0.760376741738 113 P 429 0.1517000 1.000000000000 114 D 430 0.5500000 1.000000000000 H 115 S 431 13.0100000 0.033498726390 115 S 432 1.9620000 0.234800801174 115 S 433 0.4446000 0.813682957883 116 S 434 0.1220000 1.000000000000 117 P 435 0.7270000 1.000000000000 H 118 S 436 13.0100000 0.033498726390 118 S 437 1.9620000 0.234800801174 118 S 438 0.4446000 0.813682957883 119 S 439 0.1220000 1.000000000000 120 P 440 0.7270000 1.000000000000 C 121 S 441 6665.0000000 0.000691583963 121 S 442 1000.0000000 0.005325796153 121 S 443 228.0000000 0.027060721042 121 S 444 64.7100000 0.101656846141 121 S 445 21.0600000 0.274574823617 121 S 446 7.4950000 0.448294318924 121 S 447 2.7970000 0.284902610715 121 S 448 0.5215000 0.015194859206 122 S 449 6665.0000000 -0.000293269653 122 S 450 1000.0000000 -0.002318035474 122 S 451 228.0000000 -0.011499786039 122 S 452 64.7100000 -0.046826727010 122 S 453 21.0600000 -0.128466168750 122 S 454 7.4950000 -0.301266272463 122 S 455 2.7970000 -0.255630702330 122 S 456 0.5215000 1.093793361012 123 S 457 0.1596000 1.000000000000 124 P 458 9.4390000 0.056979251590 124 P 459 2.0020000 0.313207211501 124 P 460 0.5456000 0.760376741738 125 P 461 0.1517000 1.000000000000 126 D 462 0.5500000 1.000000000000 H 127 S 463 13.0100000 0.033498726390 127 S 464 1.9620000 0.234800801174 127 S 465 0.4446000 0.813682957883 128 S 466 0.1220000 1.000000000000 129 P 467 0.7270000 1.000000000000 H 130 S 468 13.0100000 0.033498726390 130 S 469 1.9620000 0.234800801174 130 S 470 0.4446000 0.813682957883 131 S 471 0.1220000 1.000000000000 132 P 472 0.7270000 1.000000000000 H 133 S 473 13.0100000 0.033498726390 133 S 474 1.9620000 0.234800801174 133 S 475 0.4446000 0.813682957883 134 S 476 0.1220000 1.000000000000 135 P 477 0.7270000 1.000000000000 C 136 S 478 6665.0000000 0.000691583963 136 S 479 1000.0000000 0.005325796153 136 S 480 228.0000000 0.027060721042 136 S 481 64.7100000 0.101656846141 136 S 482 21.0600000 0.274574823617 136 S 483 7.4950000 0.448294318924 136 S 484 2.7970000 0.284902610715 136 S 485 0.5215000 0.015194859206 137 S 486 6665.0000000 -0.000293269653 137 S 487 1000.0000000 -0.002318035474 137 S 488 228.0000000 -0.011499786039 137 S 489 64.7100000 -0.046826727010 137 S 490 21.0600000 -0.128466168750 137 S 491 7.4950000 -0.301266272463 137 S 492 2.7970000 -0.255630702330 137 S 493 0.5215000 1.093793361012 138 S 494 0.1596000 1.000000000000 139 P 495 9.4390000 0.056979251590 139 P 496 2.0020000 0.313207211501 139 P 497 0.5456000 0.760376741738 140 P 498 0.1517000 1.000000000000 141 D 499 0.5500000 1.000000000000 H 142 S 500 13.0100000 0.033498726390 142 S 501 1.9620000 0.234800801174 142 S 502 0.4446000 0.813682957883 143 S 503 0.1220000 1.000000000000 144 P 504 0.7270000 1.000000000000 H 145 S 505 13.0100000 0.033498726390 145 S 506 1.9620000 0.234800801174 145 S 507 0.4446000 0.813682957883 146 S 508 0.1220000 1.000000000000 147 P 509 0.7270000 1.000000000000 H 148 S 510 13.0100000 0.033498726390 148 S 511 1.9620000 0.234800801174 148 S 512 0.4446000 0.813682957883 149 S 513 0.1220000 1.000000000000 150 P 514 0.7270000 1.000000000000 C 151 S 515 6665.0000000 0.000691583963 151 S 516 1000.0000000 0.005325796153 151 S 517 228.0000000 0.027060721042 151 S 518 64.7100000 0.101656846141 151 S 519 21.0600000 0.274574823617 151 S 520 7.4950000 0.448294318924 151 S 521 2.7970000 0.284902610715 151 S 522 0.5215000 0.015194859206 152 S 523 6665.0000000 -0.000293269653 152 S 524 1000.0000000 -0.002318035474 152 S 525 228.0000000 -0.011499786039 152 S 526 64.7100000 -0.046826727010 152 S 527 21.0600000 -0.128466168750 152 S 528 7.4950000 -0.301266272463 152 S 529 2.7970000 -0.255630702330 152 S 530 0.5215000 1.093793361012 153 S 531 0.1596000 1.000000000000 154 P 532 9.4390000 0.056979251590 154 P 533 2.0020000 0.313207211501 154 P 534 0.5456000 0.760376741738 155 P 535 0.1517000 1.000000000000 156 D 536 0.5500000 1.000000000000 H 157 S 537 13.0100000 0.033498726390 157 S 538 1.9620000 0.234800801174 157 S 539 0.4446000 0.813682957883 158 S 540 0.1220000 1.000000000000 159 P 541 0.7270000 1.000000000000 H 160 S 542 13.0100000 0.033498726390 160 S 543 1.9620000 0.234800801174 160 S 544 0.4446000 0.813682957883 161 S 545 0.1220000 1.000000000000 162 P 546 0.7270000 1.000000000000 H 163 S 547 13.0100000 0.033498726390 163 S 548 1.9620000 0.234800801174 163 S 549 0.4446000 0.813682957883 164 S 550 0.1220000 1.000000000000 165 P 551 0.7270000 1.000000000000 H 166 S 552 13.0100000 0.033498726390 166 S 553 1.9620000 0.234800801174 166 S 554 0.4446000 0.813682957883 167 S 555 0.1220000 1.000000000000 168 P 556 0.7270000 1.000000000000 F 169 S 557 14710.0000000 0.000720673709 169 S 558 2207.0000000 0.005550486969 169 S 559 502.8000000 0.028254207663 169 S 560 142.6000000 0.106395828367 169 S 561 46.4700000 0.286684201243 169 S 562 16.7000000 0.448437965824 169 S 563 6.3560000 0.264641181411 169 S 564 1.3160000 0.015326060993 170 S 565 14710.0000000 -0.000321193890 170 S 566 2207.0000000 -0.002546191568 170 S 567 502.8000000 -0.012643359508 170 S 568 142.6000000 -0.051957491705 170 S 569 46.4700000 -0.143447138126 170 S 570 16.7000000 -0.332437623296 170 S 571 6.3560000 -0.218659067503 170 S 572 1.3160000 1.095590413862 171 S 573 0.3897000 1.000000000000 172 P 574 22.6700000 0.064834021494 172 P 575 4.9770000 0.340535359831 172 P 576 1.3470000 0.734646406794 173 P 577 0.3471000 1.000000000000 174 D 578 1.6400000 1.000000000000 F 175 S 579 14710.0000000 0.000720673709 175 S 580 2207.0000000 0.005550486969 175 S 581 502.8000000 0.028254207663 175 S 582 142.6000000 0.106395828367 175 S 583 46.4700000 0.286684201243 175 S 584 16.7000000 0.448437965824 175 S 585 6.3560000 0.264641181411 175 S 586 1.3160000 0.015326060993 176 S 587 14710.0000000 -0.000321193890 176 S 588 2207.0000000 -0.002546191568 176 S 589 502.8000000 -0.012643359508 176 S 590 142.6000000 -0.051957491705 176 S 591 46.4700000 -0.143447138126 176 S 592 16.7000000 -0.332437623296 176 S 593 6.3560000 -0.218659067503 176 S 594 1.3160000 1.095590413862 177 S 595 0.3897000 1.000000000000 178 P 596 22.6700000 0.064834021494 178 P 597 4.9770000 0.340535359831 178 P 598 1.3470000 0.734646406794 179 P 599 0.3471000 1.000000000000 180 D 600 1.6400000 1.000000000000 C 181 S 601 6665.0000000 0.000691583963 181 S 602 1000.0000000 0.005325796153 181 S 603 228.0000000 0.027060721042 181 S 604 64.7100000 0.101656846141 181 S 605 21.0600000 0.274574823617 181 S 606 7.4950000 0.448294318924 181 S 607 2.7970000 0.284902610715 181 S 608 0.5215000 0.015194859206 182 S 609 6665.0000000 -0.000293269653 182 S 610 1000.0000000 -0.002318035474 182 S 611 228.0000000 -0.011499786039 182 S 612 64.7100000 -0.046826727010 182 S 613 21.0600000 -0.128466168750 182 S 614 7.4950000 -0.301266272463 182 S 615 2.7970000 -0.255630702330 182 S 616 0.5215000 1.093793361012 183 S 617 0.1596000 1.000000000000 184 P 618 9.4390000 0.056979251590 184 P 619 2.0020000 0.313207211501 184 P 620 0.5456000 0.760376741738 185 P 621 0.1517000 1.000000000000 186 D 622 0.5500000 1.000000000000 S 187 S 623 110800.0000000 0.000247631104 187 S 624 16610.0000000 0.001920229785 187 S 625 3781.0000000 0.009961763253 187 S 626 1071.0000000 0.040296865935 187 S 627 349.8000000 0.128601976468 187 S 628 126.3000000 0.303475224866 187 S 629 49.2600000 0.421425368939 187 S 630 20.1600000 0.230777368755 187 S 631 5.7200000 0.017896818396 187 S 632 2.1820000 -0.002975113187 187 S 633 0.4327000 0.000849508633 188 S 634 110800.0000000 -0.000068497729 188 S 635 16610.0000000 -0.000526097502 188 S 636 3781.0000000 -0.002788317458 188 S 637 1071.0000000 -0.011231294983 188 S 638 349.8000000 -0.038766716261 188 S 639 126.3000000 -0.099203906674 188 S 640 49.2600000 -0.199140607714 188 S 641 20.1600000 -0.122989813596 188 S 642 5.7200000 0.511653975344 188 S 643 2.1820000 0.605298116328 188 S 644 0.4327000 0.039556239878 189 S 645 110800.0000000 0.000036677084 189 S 646 16610.0000000 0.000282770430 189 S 647 3781.0000000 0.001491393257 189 S 648 1071.0000000 0.006060874455 189 S 649 349.8000000 0.020812550676 189 S 650 126.3000000 0.054604688378 189 S 651 49.2600000 0.110513949520 189 S 652 20.1600000 0.076135021216 189 S 653 5.7200000 -0.382241109253 189 S 654 2.1820000 -0.723841672563 189 S 655 0.4327000 1.165916999623 190 S 656 0.1570000 1.000000000000 191 P 657 399.7000000 0.004475383311 191 P 658 94.1900000 0.034170596222 191 P 659 29.7500000 0.144249139765 191 P 660 10.7700000 0.353925889351 191 P 661 4.1190000 0.459082262247 191 P 662 1.6250000 0.206381769235 191 P 663 0.4726000 0.010214039088 192 P 664 399.7000000 -0.002016423974 192 P 665 94.1900000 -0.015015317230 192 P 666 29.7500000 -0.067800870671 192 P 667 10.7700000 -0.162114756607 192 P 668 4.1190000 -0.256702006572 192 P 669 1.6250000 0.052366557152 192 P 670 0.4726000 0.974072705222 193 P 671 0.1407000 1.000000000000 194 D 672 0.4810000 1.000000000000 195 D 673 2.9940000 1.000000000000 H 196 S 674 13.0100000 0.033498726390 196 S 675 1.9620000 0.234800801174 196 S 676 0.4446000 0.813682957883 197 S 677 0.1220000 1.000000000000 198 P 678 0.7270000 1.000000000000 TOTAL NUMBER OF BASIS SET SHELLS = 198 NUMBER OF CARTESIAN GAUSSIAN BASIS FUNCTIONS = 465 NOTE: THIS RUN WILL RESTRICT THE MO VARIATION SPACE TO SPHERICAL HARMONICS. THE NUMBER OF ORBITALS KEPT IN THE VARIATIONAL SPACE WILL BE PRINTED LATER. NUMBER OF ELECTRONS = 202 CHARGE OF MOLECULE = 0 SPIN MULTIPLICITY = 1 NUMBER OF OCCUPIED ORBITALS (ALPHA) = 101 NUMBER OF OCCUPIED ORBITALS (BETA ) = 101 TOTAL NUMBER OF ATOMS = 39 THE NUCLEAR REPULSION ENERGY IS 2861.5740976030 $CONTRL OPTIONS --------------- SCFTYP=MCSCF RUNTYP=ENERGY EXETYP=RUN MPLEVL= 2 CITYP =NONE CCTYP =NONE VBTYP =NONE DFTTYP=NONE TDDFT =NONE MULT = 1 ICHARG= 0 NZVAR = 0 COORD =UNIQUE PP =NONE RELWFN=NONE LOCAL =NONE NUMGRD= F ISPHER= 1 NOSYM = 0 MAXIT = 30 UNITS =ANGS PLTORB= F MOLPLT= F AIMPAC= F FRIEND= NPRINT= 7 IREST = 0 GEOM =INPUT NORMF = 0 NORMP = 0 ITOL = 20 ICUT = 9 INTTYP=BEST GRDTYP=BEST QMTTOL= 1.0E-06 $SYSTEM OPTIONS --------------- REPLICATED MEMORY= 1000000000 WORDS (ON EVERY NODE). DISTRIBUTED MEMDDI= 8000 MILLION WORDS IN AGGREGATE, MEMDDI DISTRIBUTED OVER 30 PROCESSORS IS 266666666 WORDS/PROCESSOR. TOTAL MEMORY REQUESTED ON EACH PROCESSOR= 1266666666 WORDS. TIMLIM= 525600.00 MINUTES, OR 365.0 DAYS. PARALL= T BALTYP= DLB KDIAG= 0 COREFL= F MXSEQ2= 300 MXSEQ3= 150 mem10= 0 mem22= 0 ---------------- PROPERTIES INPUT ---------------- MOMENTS FIELD POTENTIAL DENSITY IEMOM = 1 IEFLD = 0 IEPOT = 0 IEDEN = 0 WHERE =COMASS WHERE =NUCLEI WHERE =NUCLEI WHERE =NUCLEI OUTPUT=BOTH OUTPUT=BOTH OUTPUT=BOTH OUTPUT=BOTH IEMINT= 0 IEFINT= 0 IEDINT= 0 MORB = 0 ---------------------- TARGET OFFLOAD OPTIONS ---------------------- RHF = F CPHF = F MAKEFP = F ------------------------------- INTEGRAL TRANSFORMATION OPTIONS ------------------------------- NWORD = 0 CUTTRF = 1.0E-09 MPTRAN = 0 DIRTRF = F AOINTS =DUP INTEGRAL TRANSFORMATION OPTION -DIRTRF- FORCED TRUE, DUE TO THE CHOICE OF -FULLNR- IN A PARALLEL JOB. ---------------------- MCSCF INPUT PARAMETERS ---------------------- CONVERGER SELECTION: FOCAS = F SOSCF = F FULLNR = T QUD = F JACOBI = F SECULAR EQUATION METHOD CISTEP = GUGA --- GENERAL INPUT OPTIONS: MAXIT = 120 MICIT = 1 ACURCY= 1.000E-06 DAMP = 0.000 CANONC= T ENGTOL= 1.000E-10 EKT = F NPUNCH= 2 NWORD = 0 REGENERATE CI AFTER CONVERGENCE = MOS DIABATIZATION AFTER CONVERGENCE = F --- INPUT FOR FULLNR CONVERGER: METHOD=DM2 FORS = T DROPC = T LINSER= F FCORE = F NORB = 465 ---------------------- INTEGRAL INPUT OPTIONS ---------------------- NOPK = 1 NORDER= 0 SCHWRZ= T ------------------------------------------ MULTIREFERENCE PERTURBATION THEORY CONTROL ------------------------------------------ MRPT=MCQDPT READ CONVERGED MCSCF VECTORS= F ---------------------------- MRMP/MCQDPT INPUT PARAMETERS ---------------------------- # OF ELECTRONS = 202 SPIN MULTIPLICITY = 1 SPATIAL STATE SYMMETRY = 1 # OF STATES = 3 (DIMENSION OF EFFECTIVE HAMILTONIAN) # OF FROZEN CORE ORBITALS = 33 # OF DOUBLY OCCUPIED ORBITALS = 66 # OF ACTIVE ORBITALS = 4 # OF EXTERNAL ORBITALS = 362 # OF FROZEN VIRTUAL ORBITALS = 0 IFORB IROT ISELCT LENGTH MAXCSF MAXERI 1 0 0 4096 2048 4096 MAXROW MDI MXBASE MXTRFR NSOLUT NSTCI NSTOP 200 50 50 80 3 3 100 GENZRO THRCON THRENE THRERI THRGEN THRWGT REFWGT 1.000D-12 1.000D-06-1.000D+00 1.000D-12 1.000D-08 1.000D-06 F NOSYM PARAIO DOORD0 DELSCR 0 T T F INTRUDER STATE FREE TECHNIQUE WILL BE USED, WITH PARAMETERS: 0.040000 (SPIN-FREE) AND 0.000000 (SPIN-ORBIT) (A.U.) NOTE: MCQDPT RUNS CANNOT BE AO INTEGRAL DIRECT. AN AO INTEGRAL FILE WILL STILL BE GENERATED, BEFORE THE MCQDPT CALCULATION IS STARTED. THE WEIGHTS OF THE CAS STATES IN THE DENSITY MATRIX AVERAGING ARE 1= 0.333333 2= 0.333333 3= 0.333333 ------------------------------------------ THE POINT GROUP IS C1 , NAXIS= 0, ORDER= 1 ------------------------------------------ -- VARIATIONAL SPACE WILL BE RESTRICTED TO PURE SPHERICAL HARMONICS ONLY -- AFTER EXCLUDING CONTAMINANT COMBINATIONS FROM THE CARTESIAN GAUSSIAN BASIS SET, THE NUMBER OF SPHERICAL HARMONICS KEPT IN THE VARIATION SPACE IS 438 DIMENSIONS OF THE SYMMETRY SUBSPACES ARE A = 438 ..... DONE SETTING UP THE RUN ..... CPU 0: STEP CPU TIME= 0.84 TOTAL CPU TIME= 0.8 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 0.9 SECONDS, CPU UTILIZATION IS 98.03% ******************** 1 ELECTRON INTEGRALS ******************** TIME TO DO DIPOLE INTEGRALS= 0.05 ...... END OF ONE-ELECTRON INTEGRALS ...... CPU 0: STEP CPU TIME= 0.12 TOTAL CPU TIME= 1.0 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 1.0 SECONDS, CPU UTILIZATION IS 98.17% ------------- GUESS OPTIONS ------------- GUESS =MOREAD NORB = 438 NORDER= 0 MIX = F PRTMO = F PUNMO = F TOLZ = 1.0E-08 TOLE = 1.0E-05 SYMDEN= F PURIFY= F INITIAL GUESS ORBITALS GENERATED BY MOREAD ROUTINE. STATISTICS FOR GENERATION OF SYMMETRY ORBITAL -Q- MATRIX NUMBER OF CARTESIAN ATOMIC ORBITALS= 465 NUMBER OF SPHERICAL CONTAMINANTS DROPPED= 27 NUMBER OF LINEARLY DEPENDENT MOS DROPPED= 0 TOTAL NUMBER OF MOS IN VARIATION SPACE= 438 SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW. BOTH SET(S). 103 ORBITALS ARE OCCUPIED ( 33 CORE ORBITALS). 1=A 2=A 3=A 4=A 5=A 6=A 7=A 8=A 9=A 10=A 11=A 12=A 13=A 14=A 15=A 16=A 17=A 18=A 19=A 20=A 21=A 22=A 23=A 24=A 25=A 26=A 27=A 28=A 29=A 30=A 31=A 32=A 33=A 34=A 35=A 36=A 37=A 38=A 39=A 40=A 41=A 42=A 43=A 44=A 45=A 46=A 47=A 48=A 49=A 50=A 51=A 52=A 53=A 54=A 55=A 56=A 57=A 58=A 59=A 60=A 61=A 62=A 63=A 64=A 65=A 66=A 67=A 68=A 69=A 70=A 71=A 72=A 73=A 74=A 75=A 76=A 77=A 78=A 79=A 80=A 81=A 82=A 83=A 84=A 85=A 86=A 87=A 88=A 89=A 90=A 91=A 92=A 93=A 94=A 95=A 96=A 97=A 98=A 99=A 100=A 101=A 102=A 103=A 104=A 105=A 106=A 107=A 108=A 109=A 110=A 111=A 112=A 113=A 114=A 115=A 116=A 117=A 118=A 119=A 120=A 121=A 122=A 123=A 124=A 125=A 126=A 127=A 128=A 129=A 130=A 131=A 132=A 133=A 134=A 135=A 136=A 137=A 138=A 139=A 140=A 141=A 142=A 143=A 144=A 145=A 146=A 147=A 148=A 149=A 150=A 151=A 152=A 153=A 154=A 155=A 156=A 157=A 158=A 159=A 160=A 161=A 162=A 163=A 164=A 165=A 166=A 167=A 168=A 169=A 170=A 171=A 172=A 173=A 174=A 175=A 176=A 177=A 178=A 179=A 180=A 181=A 182=A 183=A 184=A 185=A 186=A 187=A 188=A 189=A 190=A 191=A 192=A 193=A 194=A 195=A 196=A 197=A 198=A 199=A 200=A 201=A 202=A 203=A 204=A 205=A 206=A 207=A 208=A 209=A 210=A 211=A 212=A 213=A 214=A 215=A 216=A 217=A 218=A 219=A 220=A 221=A 222=A 223=A 224=A 225=A 226=A 227=A 228=A 229=A 230=A 231=A 232=A 233=A 234=A 235=A 236=A 237=A 238=A 239=A 240=A 241=A 242=A 243=A 244=A 245=A 246=A 247=A 248=A 249=A 250=A 251=A 252=A 253=A 254=A 255=A 256=A 257=A 258=A 259=A 260=A 261=A 262=A 263=A 264=A 265=A 266=A 267=A 268=A 269=A 270=A 271=A 272=A 273=A 274=A 275=A 276=A 277=A 278=A 279=A 280=A 281=A 282=A 283=A 284=A 285=A 286=A 287=A 288=A 289=A 290=A 291=A 292=A 293=A 294=A 295=A 296=A 297=A 298=A 299=A 300=A 301=A 302=A 303=A 304=A 305=A 306=A 307=A 308=A 309=A 310=A 311=A 312=A 313=A 314=A 315=A 316=A 317=A 318=A 319=A 320=A 321=A 322=A 323=A 324=A 325=A 326=A 327=A 328=A 329=A 330=A 331=A 332=A 333=A 334=A 335=A 336=A 337=A 338=A 339=A 340=A 341=A 342=A 343=A 344=A 345=A 346=A 347=A 348=A 349=A 350=A 351=A 352=A 353=A 354=A 355=A 356=A 357=A 358=A 359=A 360=A 361=A 362=A 363=A 364=A 365=A 366=A 367=A 368=A 369=A 370=A 371=A 372=A 373=A 374=A 375=A 376=A 377=A 378=A 379=A 380=A 381=A 382=A 383=A 384=A 385=A 386=A 387=A 388=A 389=A 390=A 391=A 392=A 393=A 394=A 395=A 396=A 397=A 398=A 399=A 400=A 401=A 402=A 403=A 404=A 405=A 406=A 407=A 408=A 409=A 410=A 411=A 412=A 413=A 414=A 415=A 416=A 417=A 418=A 419=A 420=A 421=A 422=A 423=A 424=A 425=A 426=A 427=A 428=A 429=A 430=A 431=A 432=A 433=A 434=A 435=A 436=A 437=A 438=A ...... END OF INITIAL ORBITAL SELECTION ...... CPU 0: STEP CPU TIME= 0.18 TOTAL CPU TIME= 1.1 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 1.2 SECONDS, CPU UTILIZATION IS 98.41% ---------------------- AO INTEGRAL TECHNOLOGY ---------------------- S,P,L SHELL ROTATED AXIS INTEGRALS, REPROGRAMMED BY KAZUYA ISHIMURA (IMS) AND JOSE SIERRA (SYNSTAR). S,P,D,L SHELL ROTATED AXIS INTEGRALS PROGRAMMED BY KAZUYA ISHIMURA (INSTITUTE FOR MOLECULAR SCIENCE). S,P,D,F,G SHELL TO TOTAL QUARTET ANGULAR MOMENTUM SUM 5, ERIC PROGRAM BY GRAHAM FLETCHER (ELORET AND NASA ADVANCED SUPERCOMPUTING DIVISION, AMES RESEARCH CENTER). S,P,D,F,G,L SHELL GENERAL RYS QUADRATURE PROGRAMMED BY MICHEL DUPUIS (PACIFIC NORTHWEST NATIONAL LABORATORY). DIRECT TRANSFORMATION SKIPS AO INTEGRAL STORAGE ON DISK. ...... END OF TWO-ELECTRON INTEGRALS ..... STEP CPU TIME = 0.01 TOTAL CPU TIME = 1.1 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 1.2 SECONDS, CPU UTILIZATION IS 98.38% ----------------- MCSCF CALCULATION ----------------- ----- NUCLEAR ENERGY ----- = 2861.5740976030 ----------------------- ---------------------------- GUGA DISTINCT ROW TABLE WRITTEN BY B.R.BROOKS,P.SAXE ----------------------- ---------------------------- GROUP=C1 NPRT= 0 FORS= T INTACT= F FOCI= F MXNINT= 50000 SOCI= F MXNEME= 10000 IEXCIT= 0 -CORE- -INTERNAL- -EXTERNAL- NFZC= 0 NDOC= 2 NEXT= 0 NMCC= 99 NAOS= 0 NFZV= 0 NBOS= 0 NALP= 0 NVAL= 2 THE MAXIMUM ELECTRON EXCITATION WILL BE 4 SYMMETRIES FOR THE 99 CORE, 4 ACTIVE, 0 EXTERNAL MO-S ARE CORE= A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A ACTIVE= A A A A DOC DOC VAL VAL MOLECULAR CHARGE = 0 NUMBER OF ALPHA ELECTRONS = 101 NUMBER OF BETA ELECTRONS = 101 THE ELECTRONIC STATE IS 1-A THE DISTINCT ROW TABLE HAS 14 ROWS. THE WAVEFUNCTION CONTAINS 20 WALKS (CSF-S). TOTAL NUMBER OF INTEGRALS = 73 NUMBER OF INTEGRALS/GROUP = 73 NUMBER OF INTEGRAL GROUPS = 1 MAXIMUM RECORD SIZES ARE 500 FOR UNIT 11 22 FOR UNIT 12 30001 FOR UNIT 15 30001 FOR UNIT 16 ...... END OF -DRT- GENERATION ...... CPU 0: STEP CPU TIME= 4.18 TOTAL CPU TIME= 5.3 ( 0.1 MIN) TOTAL WALL CLOCK TIME= 5.4 SECONDS, CPU UTILIZATION IS 99.35% EVALUATING EXCHANGE INTEGRALS FOR DIRECT INTEGRAL TRANSFORMATION SCHWARZ INEQUALITY OVERHEAD: 89668 INTEGRALS, T= 0.00 -------------------------------------------- PARTIAL TWO ELECTRON INTEGRAL TRANSFORMATION -------------------------------------------- NUMBER OF CORE MOLECULAR ORBITALS = 99 NUMBER OF OCCUPIED MOLECULAR ORBITALS = 103 TOTAL NUMBER OF MOLECULAR ORBITALS = 438 TOTAL NUMBER OF ATOMIC ORBITALS = 465 THRESHOLD FOR KEEPING TRANSFORMED 2E- INTEGRALS = 1.000E-09 ------------------------------- ------------------------------ DISTRIBUTED DATA TRANSFORMATION PROGRAM WRITTEN BY G. FLETCHER ------------------------------- ------------------------------ THE DISTRIBUTED MEMORY REQUIRED FOR THIS STEP IS MEMDDI= 1952 MWORDS CREATING DISTRIBUTED STORAGE FOR [VIR OCC|VIR OCC] INTEGRALS CREATING DISTRIBUTED STORAGE FOR [VIR OCC|OCC OCC] INTEGRALS CREATING DISTRIBUTED STORAGE FOR [OCC OCC|OCC OCC] INTEGRALS CREATING DISTRIBUTED STORAGE FOR [VIR VIR|OCC OCC] INTEGRALS FOR 30 PROCESSORS, THE REPLICATED MEMORY NEEDED IS 4666034 WORDS. SCHWARZ INEQUALITY OVERHEAD: 89668 INTEGRALS, T= 0.00 DIRECT 4-INDEX TRANSFORMATION SCHWARZ INEQUALITY TEST SKIPPED 258464919 INTEGRAL BLOCKS ----- FROZEN CORE ENERGY = -4902.4879878160 ... END OF INTEGRAL TRANSFORMATION ... CPU 0: STEP CPU TIME= 57.57 TOTAL CPU TIME= 62.9 ( 1.0 MIN) TOTAL WALL CLOCK TIME= 67.7 SECONDS, CPU UTILIZATION IS 92.90% ------------------------ GUGA-CI INTEGRAL SORTING ------------------------ 55405 WORDS NEEDED TO SORT 73 GUGA INTEGRALS IN MEMORY 999999999 WORDS ARE AVAILABLE CHOOSING IN-MEMORY SORTING... IN CORE ALGORITHM SORTED 10 NON-ZERO 1E- INTEGRALS IN CORE ALGORITHM SORTED 55 NON-ZERO 2E- INTEGRALS ...... END OF INTEGRAL SORTING ...... CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME= 62.9 ( 1.0 MIN) TOTAL WALL CLOCK TIME= 67.7 SECONDS, CPU UTILIZATION IS 92.90% ------------------------- --------------------------------------- ENERGY MATRIX CALCULATION WRITTEN BY B.R.BROOKS,W.D.LAIDIG,P.SAXE ------------------------- --------------------------------------- COMPUTING THE HAMILTONIAN FOR THE 20 CSF-S... 318 IS THE TOTAL NUMBER OF GENERATED LOOPS 318 WERE CREATED BY THE LOOP-DRIVEN ALGORITHM 0 WERE CREATED IMPLICITLY 318 IS THE TOTAL NUMBER OF PROCESSED LOOPS 64 DIAGONAL LOOPS ARE STORED ON WORK15 IN 1 BUFFERS OF 10000 ELEMENTS. 254 OFF DIAGONAL LOOPS ARE STORED ON WORK16 IN 1 BUFFERS OF 10000 ELEMENTS. ...... END OF ENERGY MATRIX CALCULATION ...... CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME= 62.9 ( 1.0 MIN) TOTAL WALL CLOCK TIME= 67.7 SECONDS, CPU UTILIZATION IS 92.91% ----------------------------------------- DAVIDSON METHOD CI-MATRIX DIAGONALIZATION WRITTEN BY STEVE ELBERT ----------------------------------------- NUMBER OF STATES REQUESTED = 3 MAX. NUMB. OF EXPAN. VEC = 30 MAX. NUMB. IMPROVED STATES = 3 MAX. NUMB. OF ITERATIONS = 120 CONVERGENCE CRITERION = 1.0E-06 CHOOSING TO SOLVE SECULAR EQUATION IN MEMORY NUMBER OF WORDS AVAILABLE = 999999999 NUMBER OF WORDS USED = 31480 ENERGY MATRIX BUFFER SIZE = 10000 SOLUTION FOUND WITH DIRECT METHOD STATE # 1 ENERGY = -2043.651381961 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 0.956396 2200 4 -0.052482 2002 5 -0.074228 1102 6 -0.100646 0202 7 0.074254 2110 8 0.081448 1210 9 -0.059082 1111 11 -0.133645 1111 12 -0.050194 0211 15 -0.160955 2020 17 -0.051434 0220 STATE # 2 ENERGY = -2043.481807124 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 -0.096644 2200 2 0.094368 2101 7 0.876093 2110 8 -0.257418 1210 9 -0.116917 1111 10 -0.188798 2011 11 -0.058131 1111 12 0.073136 0211 13 0.075451 1012 14 0.096513 0112 15 -0.247899 2020 17 0.094964 0220 STATE # 3 ENERGY = -2043.462401501 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 2 -0.457135 2101 3 0.076422 1201 4 -0.157240 2002 5 -0.130181 1102 6 0.061119 0202 7 0.381569 2110 8 0.346560 1210 9 0.164743 1111 10 0.119961 2011 12 -0.116181 0211 15 0.563157 2020 16 0.258416 1120 17 -0.150524 0220 19 0.087081 0121 ...... END OF CI-MATRIX DIAGONALIZATION ...... CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME= 62.9 ( 1.0 MIN) TOTAL WALL CLOCK TIME= 67.8 SECONDS, CPU UTILIZATION IS 92.91% ------------------------------------- 2-PARTICLE DENSITY MATRIX CALCULATION ------------------------------------- 2 BODY DENSITY IS AN AVERAGE OF 3 STATE(S). STATE WEIGHT ENERGY 1 0.333333 -2043.6513819609 2 0.333333 -2043.4818071241 3 0.333333 -2043.4624015007 318 -DM2- LOOPS WERE GENERATED 318 WERE CREATED BY THE LOOP-DRIVEN ALGORITHM 0 WERE CREATED IMPLICITLY 1 RECORDS OF LENGTH 50000 WRITTEN TO FILE 15 ...... END OF 2-PARTICLE DENSITY MATRIX CALCULATION ...... CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME= 63.0 ( 1.0 MIN) TOTAL WALL CLOCK TIME= 67.8 SECONDS, CPU UTILIZATION IS 92.91% ---------------------------------- 2-PARTICLE DENSITY MATRIX LABELING ---------------------------------- 101772 WORDS NEEDED TO LABEL DM2 MATRIX 1 RECORDS OF LENGTH 50000 READ FROM FILE 15 1 RECORDS OF LENGTH 15000 WRITTEN TO FILE 16 ...... END OF 2-PARTICLE DENSITY MATRIX LABELING ...... CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 63.0 ( 1.0 MIN) TOTAL WALL CLOCK TIME= 67.8 SECONDS, CPU UTILIZATION IS 92.91% -------------- -DM2- ORDERING -------------- 30066 WORDS NEEDED ( 999999999 AVAILABLE) TO ORDER DM2 IN MEMORY CHOOSING IN MEMORY ORDERING... 1 RECORDS OF LENGTH 15000 READ FROM FILE 16 55 DM2 VALUES IN 1 RECORDS OF LENGTH 15000 WRITTEN TO FILE 15 ...... END OF -DM2- ORDERING ...... CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 63.0 ( 1.0 MIN) TOTAL WALL CLOCK TIME= 67.8 SECONDS, CPU UTILIZATION IS 92.91% -------------------------------- ----------------------------- MCHF NEWTON-RAPHSON OPTIMIZATION CODE WRITTEN BY MICHEL DUPUIS -------------------------------- ----------------------------- PARALLEL VERSION WRITTEN BY G. FLETCHER (ELORET) NASA ADVANCED SUPERCOMPUTING DIVISION, AMES RESEARCH CENTER NUMBER OF INDEPENDENT ORBITAL ROTATION PARAMETERS = 34245 ..... DONE SOLVING NEWTON-RAPHSON EQUATIONS ..... CPU 0: STEP CPU TIME= 1.83 TOTAL CPU TIME= 64.8 ( 1.1 MIN) TOTAL WALL CLOCK TIME= 72.0 SECONDS, CPU UTILIZATION IS 90.01% ..... DONE WITH NTN-RPH ORBITAL ROTATIONS ..... CPU 0: STEP CPU TIME= 0.17 TOTAL CPU TIME= 65.0 ( 1.1 MIN) TOTAL WALL CLOCK TIME= 72.2 SECONDS, CPU UTILIZATION IS 90.03% MAXIMUM MEMORY USED BY NTN-RPH CODE WAS 4005469 WORDS. ITER TOTAL ENERGY DEL(E) LAGRANGIAN ASYMMETRY SQCDF MICIT DAMP 1 -2043.531863529 -0.531863529 0.000008 109 102 7.336E-08 1 0.0000 2 -2043.531863534 -0.000000006 0.000006 109 102 3.720E-08 1 0.0000 3 -2043.531863537 -0.000000003 0.000004 109 102 1.900E-08 1 0.0000 4 -2043.531863539 -0.000000001 0.000003 109 102 9.757E-09 1 0.0000 5 -2043.531863539 -0.000000001 0.000002 109 102 5.005E-09 1 0.0000 6 -2043.531863540 -0.000000000 0.000002 109 102 2.552E-09 1 0.0000 7 -2043.531863540 -0.000000000 0.000001 109 102 1.316E-09 1 0.0000 8 -2043.531863540 -0.000000000 0.000001 109 102 6.574E-10 1 0.0000 -------------------- LAGRANGIAN CONVERGED -------------------- FINAL MCSCF ENERGY IS -2043.5318635401 AFTER 8 ITERATIONS -MCCI- BASED ON OPTIMIZED ORBITALS ---------------------------------- PLEASE NOTE: IF THE ACTIVE ORBITALS ARE CANONICALIZED BELOW, THE FOLLOWING CI EXPANSION COEFFICIENTS AND THE DENSITY DO NOT CORRESPOND TO THE PRINTED ORBITALS. THE PRINTED EXPANSIONS MATCH THE ORBITALS USED DURING THE LAST ITERATION. IF YOU WISH TO SEE CI EXPANSIONS BASED ON THE CANONICAL (OR NATURAL) ORBITALS, YOU MUST RUN A CI CALCULATION WITH THAT ORBITAL CHOICE READ IN $VEC. STATE # 1 ENERGY = -2043.651377607 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 0.956400 2200 2 -0.028186 2101 3 0.017744 1201 4 -0.052496 2002 5 -0.074206 1102 6 -0.100628 0202 7 0.074238 2110 8 0.081462 1210 9 -0.059077 1111 10 -0.015100 2011 11 -0.133660 1111 12 -0.050214 0211 13 -0.004318 1012 14 0.010175 0112 15 -0.160935 2020 16 0.007584 1120 17 -0.051430 0220 18 0.002478 1021 19 -0.000068 0121 20 0.028590 0022 STATE # 2 ENERGY = -2043.481806045 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 -0.096547 2200 2 0.094069 2101 3 0.038383 1201 4 0.034408 2002 5 0.005730 1102 6 -0.023134 0202 7 0.876277 2110 8 -0.257448 1210 9 -0.116860 1111 10 -0.188862 2011 11 -0.057993 1111 12 0.073096 0211 13 0.075477 1012 14 0.096526 0112 15 -0.247398 2020 16 0.022740 1120 17 0.094886 0220 18 0.003982 1021 19 0.018548 0121 20 0.018238 0022 STATE # 3 ENERGY = -2043.462406969 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 0.011126 2200 2 -0.457222 2101 3 0.076401 1201 4 -0.157273 2002 5 -0.130169 1102 6 0.061144 0202 7 0.381068 2110 8 0.346436 1210 9 0.164850 1111 10 0.119827 2011 11 0.044589 1111 12 -0.116144 0211 13 0.002799 1012 14 0.035845 0112 15 0.563598 2020 16 0.258156 1120 17 -0.150584 0220 18 0.023256 1021 19 0.087024 0121 20 -0.030963 0022 DENSITY MATRIX OVER ACTIVE MO-S 1 2 3 4 1 1.8180988 2 0.0298731 1.2342367 3 -0.0160517 -0.0060886 0.7669516 4 -0.0054608 0.0031608 0.0369796 0.1807128 FORMING THE "STANDARD FOCK OPERATOR" IN DIRECT AO INTEGRAL MODE... 99 FILLED, 4 ACTIVE, AND 335 VIRTUAL ORBITALS WILL BE CANONICALIZED ---------------------- MCSCF NATURAL ORBITALS ---------------------- 1 2 3 4 5 -91.9952 -91.9718 -26.3371 -26.3370 -26.3353 A A A A A 1 C 1 S -0.000002 -0.000019 0.000003 0.000022 -0.000016 2 C 1 S -0.000004 -0.000039 0.000004 0.000036 -0.000025 3 C 1 S 0.000005 0.000212 -0.000571 -0.000070 0.000019 4 C 1 X -0.000001 -0.000011 0.000023 0.000001 -0.000004 5 C 1 Y -0.000002 -0.000016 -0.000017 0.000014 -0.000012 6 C 1 Z -0.000001 0.000002 -0.000002 -0.000000 0.000000 7 C 1 X 0.000003 0.000149 0.000220 0.000179 -0.000038 8 C 1 Y 0.000036 0.000393 0.000234 -0.000306 0.000313 9 C 1 Z 0.000003 0.000002 -0.000013 -0.000015 0.000010 10 C 1 XX 0.000000 -0.000004 -0.000016 -0.000018 0.000012 11 C 1 YY 0.000001 -0.000003 0.000014 -0.000001 0.000004 12 C 1 ZZ -0.000002 0.000008 0.000002 0.000019 -0.000016 13 C 1 XY 0.000000 -0.000033 -0.000002 0.000009 -0.000011 14 C 1 XZ -0.000000 0.000000 0.000003 0.000001 -0.000001 15 C 1 YZ 0.000000 0.000003 0.000002 -0.000003 -0.000001 16 C 2 S -0.000001 -0.000008 -0.000038 0.000001 0.000010 17 C 2 S -0.000002 -0.000015 -0.000066 0.000004 0.000014 18 C 2 S -0.000027 -0.000102 0.001114 -0.000100 -0.000039 19 C 2 X 0.000000 -0.000009 -0.000020 0.000007 -0.000000 20 C 2 Y -0.000002 -0.000002 0.000005 -0.000003 -0.000006 21 C 2 Z 0.000000 0.000003 -0.000003 0.000007 0.000005 22 C 2 X 0.000016 0.000046 0.000486 -0.000114 0.000280 23 C 2 Y -0.000021 -0.000226 0.000167 -0.000116 -0.000080 24 C 2 Z -0.000001 -0.000016 0.000006 -0.000022 -0.000023 25 C 2 XX -0.000000 -0.000003 0.000027 0.000020 -0.000014 26 C 2 YY 0.000000 0.000010 -0.000015 -0.000011 -0.000005 27 C 2 ZZ -0.000000 -0.000006 -0.000012 -0.000009 0.000018 28 C 2 XY 0.000001 -0.000019 -0.000002 -0.000016 0.000020 29 C 2 XZ 0.000000 -0.000002 -0.000003 -0.000004 0.000004 30 C 2 YZ 0.000000 0.000003 0.000003 0.000006 -0.000004 31 C 3 S -0.000003 -0.000007 -0.000071 0.000065 -0.000056 32 C 3 S -0.000005 -0.000013 -0.000114 0.000107 -0.000087 33 C 3 S 0.000139 0.000009 0.002518 -0.002131 0.002636 34 C 3 X 0.000002 -0.000004 -0.000046 0.000009 -0.000023 35 C 3 Y 0.000002 0.000003 -0.000015 -0.000005 0.000029 36 C 3 Z -0.000001 0.000004 -0.000016 0.000031 -0.000002 37 C 3 X -0.000076 -0.000005 -0.001454 0.001540 -0.001952 38 C 3 Y -0.000019 -0.000218 0.001482 -0.000853 0.000639 39 C 3 Z -0.000009 -0.000009 0.000019 -0.000034 0.000036 40 C 3 XX 0.000000 0.000002 0.000047 -0.000044 0.000043 41 C 3 YY 0.000001 0.000002 -0.000001 0.000014 -0.000006 42 C 3 ZZ -0.000001 -0.000004 -0.000046 0.000030 -0.000037 43 C 3 XY -0.000002 -0.000006 -0.000046 0.000035 -0.000052 44 C 3 XZ -0.000001 -0.000002 0.000010 -0.000026 0.000004 45 C 3 YZ -0.000001 0.000004 -0.000000 0.000010 0.000009 46 C 4 S -0.000009 -0.000011 -0.000006 0.000016 0.000032 47 C 4 S -0.000015 -0.000020 -0.000012 0.000029 0.000056 48 C 4 S 0.000072 0.000271 -0.000011 -0.000282 -0.000046 49 C 4 X 0.000000 -0.000003 0.000023 -0.000001 -0.000023 50 C 4 Y -0.000005 -0.000004 0.000012 -0.000010 0.000026 51 C 4 Z -0.000002 -0.000002 0.000000 -0.000014 0.000024 52 C 4 X -0.000016 0.000034 0.000202 -0.000137 0.000258 53 C 4 Y 0.000034 -0.000106 -0.000021 0.000197 -0.000768 54 C 4 Z 0.000025 -0.000207 -0.000004 0.000229 -0.000332 55 C 4 XX -0.000002 -0.000001 -0.000030 0.000016 -0.000012 56 C 4 YY 0.000004 0.000003 0.000030 -0.000022 0.000001 57 C 4 ZZ -0.000003 -0.000003 0.000000 0.000006 0.000012 58 C 4 XY 0.000001 0.000004 -0.000013 0.000008 -0.000001 59 C 4 XZ -0.000002 0.000003 -0.000005 0.000003 -0.000000 60 C 4 YZ -0.000002 -0.000005 -0.000004 0.000004 0.000011 61 S 5 S -0.000000 1.000048 0.000001 -0.000001 0.000005 62 S 5 S 0.000000 0.000248 0.000004 -0.000004 0.000038 63 S 5 S 0.000000 0.000287 0.000005 -0.000002 0.000042 64 S 5 S -0.000005 -0.001172 -0.000118 0.000174 -0.000408 65 S 5 X -0.000000 -0.000060 0.000002 -0.000007 0.000011 66 S 5 Y -0.000000 -0.000007 0.000001 -0.000000 -0.000001 67 S 5 Z -0.000000 0.000010 -0.000001 0.000001 -0.000001 68 S 5 X -0.000001 -0.000016 0.000004 -0.000022 0.000035 69 S 5 Y -0.000001 0.000017 0.000003 0.000000 -0.000003 70 S 5 Z -0.000001 0.000005 -0.000002 0.000003 -0.000005 71 S 5 X 0.000003 0.000355 -0.000002 -0.000068 0.000154 72 S 5 Y 0.000020 0.000077 -0.000007 0.000027 -0.000026 73 S 5 Z -0.000001 -0.000042 -0.000011 0.000016 -0.000049 74 S 5 XX 0.000001 -0.000030 0.000022 0.000001 -0.000007 75 S 5 YY -0.000000 -0.000013 -0.000019 0.000002 -0.000001 76 S 5 ZZ -0.000001 0.000043 -0.000002 -0.000002 0.000008 77 S 5 XY -0.000003 -0.000003 0.000005 -0.000002 0.000008 78 S 5 XZ 0.000001 0.000012 0.000002 -0.000003 0.000015 79 S 5 YZ -0.000001 -0.000003 -0.000005 0.000005 -0.000004 80 S 5 XX -0.000000 0.000006 -0.000003 0.000000 0.000000 81 S 5 YY -0.000000 0.000004 0.000003 -0.000000 0.000000 82 S 5 ZZ 0.000000 -0.000010 0.000000 -0.000000 -0.000001 83 S 5 XY 0.000000 -0.000000 -0.000001 0.000000 -0.000001 84 S 5 XZ -0.000000 -0.000003 -0.000000 0.000000 -0.000002 85 S 5 YZ 0.000000 0.000001 0.000001 -0.000001 0.000000 86 H 6 S -0.000000 -0.000007 0.000022 -0.000008 0.000017 87 H 6 S 0.000001 -0.000042 0.000039 -0.000096 0.000078 88 H 6 X -0.000001 -0.000003 -0.000014 0.000000 -0.000008 89 H 6 Y 0.000000 0.000011 -0.000005 -0.000003 0.000008 90 H 6 Z 0.000000 0.000001 -0.000000 0.000002 0.000002 91 C 7 S 0.000003 -0.000017 -0.000046 -0.000000 -0.000012 92 C 7 S -0.000003 -0.000028 -0.000074 -0.000001 -0.000015 93 C 7 S -0.000225 0.000284 0.001676 -0.000119 0.000481 94 C 7 X 0.000003 0.000000 -0.000044 0.000014 -0.000014 95 C 7 Y -0.000019 0.000002 0.000010 -0.000006 0.000010 96 C 7 Z -0.000002 -0.000001 -0.000001 0.000029 0.000013 97 C 7 X 0.000135 0.000083 -0.000221 0.000333 -0.001083 98 C 7 Y 0.000594 -0.000189 -0.000969 -0.000018 0.000307 99 C 7 Z 0.000015 -0.000026 0.000098 -0.000154 -0.000163 100 C 7 XX 0.000015 0.000008 0.000018 -0.000014 0.000024 101 C 7 YY -0.000039 0.000002 0.000010 0.000008 -0.000022 102 C 7 ZZ 0.000023 -0.000010 -0.000028 0.000006 -0.000002 103 C 7 XY -0.000008 -0.000007 0.000007 -0.000002 0.000012 104 C 7 XZ 0.000002 -0.000006 -0.000020 -0.000013 -0.000012 105 C 7 YZ -0.000000 0.000001 -0.000010 -0.000011 0.000022 106 C 8 S -0.000015 -0.000000 0.000016 0.000001 -0.000006 107 C 8 S -0.000031 -0.000001 0.000029 0.000001 -0.000009 108 C 8 S 0.000232 0.000025 -0.000266 -0.000129 0.000175 109 C 8 X 0.000014 0.000002 -0.000008 0.000003 0.000005 110 C 8 Y -0.000006 -0.000002 0.000006 0.000005 0.000009 111 C 8 Z -0.000002 0.000001 0.000002 -0.000001 -0.000002 112 C 8 X -0.000337 -0.000010 0.000139 -0.000051 0.000073 113 C 8 Y -0.000001 -0.000042 0.000033 0.000039 -0.000367 114 C 8 Z -0.000003 -0.000010 0.000008 0.000015 -0.000022 115 C 8 XX -0.000026 -0.000001 -0.000008 -0.000000 -0.000009 116 C 8 YY 0.000016 0.000003 0.000001 -0.000001 0.000016 117 C 8 ZZ 0.000010 -0.000002 0.000007 0.000001 -0.000008 118 C 8 XY 0.000009 -0.000003 0.000006 -0.000000 -0.000011 119 C 8 XZ 0.000000 0.000000 -0.000001 0.000001 -0.000002 120 C 8 YZ 0.000002 0.000000 0.000000 -0.000001 0.000003 121 C 9 S -0.000021 0.000008 0.000033 0.000010 -0.000002 122 C 9 S -0.000038 0.000011 0.000054 0.000019 -0.000002 123 C 9 S 0.000248 -0.000225 -0.000623 -0.000149 0.000702 124 C 9 X 0.000001 -0.000007 0.000020 -0.000006 -0.000015 125 C 9 Y -0.000005 0.000008 -0.000009 0.000004 -0.000019 126 C 9 Z 0.000004 0.000001 0.000001 -0.000005 -0.000013 127 C 9 X -0.000088 0.000213 0.000233 0.000171 0.000014 128 C 9 Y 0.000042 0.000060 -0.000028 -0.000250 0.000317 129 C 9 Z 0.000015 -0.000002 -0.000191 -0.000039 0.000695 130 C 9 XX 0.000018 -0.000003 -0.000013 -0.000012 -0.000023 131 C 9 YY -0.000009 -0.000001 0.000001 0.000013 0.000007 132 C 9 ZZ -0.000009 0.000004 0.000012 -0.000001 0.000015 133 C 9 XY 0.000010 0.000011 0.000007 0.000005 0.000003 134 C 9 XZ -0.000006 0.000002 0.000012 0.000002 -0.000008 135 C 9 YZ -0.000001 -0.000006 -0.000000 -0.000003 -0.000007 136 C 10 S -0.000006 0.000004 -0.000079 0.000096 0.000111 137 C 10 S -0.000011 0.000006 -0.000145 0.000171 0.000165 138 C 10 S 0.000248 -0.000225 -0.000510 0.000108 -0.002597 139 C 10 X -0.000003 -0.000003 0.000047 -0.000033 0.000029 140 C 10 Y 0.000000 -0.000001 0.000046 -0.000045 0.000027 141 C 10 Z -0.000000 0.000000 0.000026 -0.000010 -0.000017 142 C 10 X 0.000462 -0.000096 -0.001434 -0.000004 0.001736 143 C 10 Y 0.000053 0.000073 -0.000681 0.000665 -0.001962 144 C 10 Z -0.000081 0.000011 0.000160 -0.000027 0.000683 145 C 10 XX 0.000029 -0.000002 0.000019 -0.000038 -0.000122 146 C 10 YY -0.000023 -0.000000 -0.000009 0.000017 -0.000000 147 C 10 ZZ -0.000006 0.000002 -0.000010 0.000020 0.000122 148 C 10 XY -0.000004 0.000001 -0.000068 -0.000004 0.000082 149 C 10 XZ -0.000010 0.000001 -0.000006 -0.000044 -0.000081 150 C 10 YZ -0.000000 0.000001 0.000023 -0.000057 0.000010 151 C 11 S -0.000002 -0.000010 -0.000024 0.000009 0.000077 152 C 11 S -0.000003 -0.000018 -0.000053 0.000026 0.000121 153 C 11 S -0.000077 0.000162 -0.001934 0.002119 -0.003747 154 C 11 X -0.000001 -0.000005 0.000051 -0.000055 0.000053 155 C 11 Y -0.000001 0.000001 -0.000037 0.000041 -0.000020 156 C 11 Z 0.000001 -0.000002 0.000012 -0.000012 0.000013 157 C 11 X -0.000130 0.000140 -0.002476 0.001962 -0.001896 158 C 11 Y 0.000084 0.000127 0.000796 -0.000691 0.000997 159 C 11 Z 0.000006 0.000015 -0.000115 0.000048 -0.000420 160 C 11 XX -0.000002 0.000002 -0.000030 0.000004 -0.000087 161 C 11 YY 0.000006 0.000002 0.000018 0.000012 0.000035 162 C 11 ZZ -0.000004 -0.000004 0.000012 -0.000015 0.000052 163 C 11 XY -0.000010 0.000000 0.000093 -0.000046 0.000026 164 C 11 XZ -0.000002 0.000000 -0.000024 -0.000028 0.000003 165 C 11 YZ 0.000003 0.000001 -0.000017 0.000046 -0.000012 166 C 12 S -0.000011 -0.000003 0.000198 0.000014 -0.000263 167 C 12 S -0.000021 -0.000005 0.000322 -0.000005 -0.000386 168 C 12 S 0.000274 -0.000013 -0.002570 -0.001006 0.006062 169 C 12 X -0.000003 -0.000001 -0.000008 0.000089 -0.000078 170 C 12 Y 0.000000 -0.000001 0.000035 0.000118 0.000303 171 C 12 Z -0.000000 0.000001 0.000036 0.000047 -0.000120 172 C 12 X 0.000085 0.000013 0.000659 0.000015 0.000288 173 C 12 Y -0.000035 0.000008 0.001163 -0.000123 0.001855 174 C 12 Z -0.000001 -0.000007 -0.000403 0.000949 -0.002217 175 C 12 XX -0.000007 0.000002 -0.000061 0.000031 -0.000023 176 C 12 YY 0.000001 0.000000 -0.000043 0.000007 0.000084 177 C 12 ZZ 0.000006 -0.000002 0.000105 -0.000039 -0.000061 178 C 12 XY -0.000004 -0.000003 -0.000099 -0.000041 -0.000075 179 C 12 XZ -0.000001 0.000001 -0.000024 -0.000065 0.000007 180 C 12 YZ -0.000003 -0.000001 0.000028 -0.000097 -0.000119 181 C 13 S 0.000002 -0.000003 -0.000164 -0.000317 0.000165 182 C 13 S 0.000003 -0.000006 -0.000221 -0.000497 0.000264 183 C 13 S -0.000030 0.000036 0.004910 0.004580 -0.001874 184 C 13 X 0.000001 0.000000 -0.000320 -0.000154 -0.000027 185 C 13 Y -0.000001 0.000000 -0.000028 0.000019 -0.000051 186 C 13 Z -0.000000 -0.000001 0.000095 -0.000377 -0.000037 187 C 13 X -0.000016 0.000001 -0.001991 0.001026 -0.000608 188 C 13 Y 0.000002 -0.000004 -0.000427 0.000267 -0.001039 189 C 13 Z -0.000008 0.000016 0.002199 -0.002526 0.000281 190 C 13 XX 0.000004 0.000001 0.000110 -0.000060 0.000004 191 C 13 YY -0.000001 -0.000001 -0.000025 -0.000128 -0.000115 192 C 13 ZZ -0.000003 -0.000001 -0.000086 0.000189 0.000112 193 C 13 XY 0.000003 -0.000000 0.000014 -0.000006 -0.000050 194 C 13 XZ -0.000001 0.000000 -0.000068 0.000034 0.000029 195 C 13 YZ 0.000001 -0.000001 0.000003 -0.000037 0.000005 196 C 14 S -0.000004 -0.000004 0.000187 0.000011 -0.000135 197 C 14 S -0.000007 -0.000007 0.000303 -0.000010 -0.000237 198 C 14 S 0.000014 0.000087 -0.002749 -0.000414 0.000646 199 C 14 X -0.000001 -0.000000 -0.000004 0.000102 -0.000033 200 C 14 Y 0.000000 0.000000 -0.000045 -0.000099 -0.000030 201 C 14 Z -0.000000 0.000001 0.000019 0.000029 -0.000023 202 C 14 X 0.000003 0.000052 0.000938 0.000274 0.000458 203 C 14 Y 0.000002 -0.000016 -0.001022 -0.000063 0.000434 204 C 14 Z 0.000002 -0.000014 -0.000411 0.000886 0.000308 205 C 14 XX 0.000004 -0.000000 -0.000073 0.000014 0.000024 206 C 14 YY -0.000001 -0.000000 -0.000014 -0.000017 -0.000017 207 C 14 ZZ -0.000002 0.000001 0.000087 0.000003 -0.000008 208 C 14 XY -0.000001 0.000002 0.000106 0.000064 -0.000009 209 C 14 XZ -0.000000 0.000000 -0.000001 -0.000075 0.000013 210 C 14 YZ -0.000001 0.000002 -0.000058 0.000105 -0.000049 211 F 15 S 0.000002 -0.000000 -0.000234 0.000021 -0.001141 212 F 15 S 0.000004 -0.000000 -0.000062 -0.000003 0.000011 213 F 15 S -0.000019 0.000002 0.000411 -0.000099 -0.000102 214 F 15 X -0.000000 0.000001 -0.000013 0.000028 -0.000012 215 F 15 Y 0.000001 0.000000 -0.000023 0.000027 0.000049 216 F 15 Z 0.000000 -0.000000 -0.000001 0.000017 0.000000 217 F 15 X -0.000002 -0.000003 0.000059 -0.000113 0.000060 218 F 15 Y -0.000002 -0.000001 0.000041 -0.000083 -0.000398 219 F 15 Z 0.000009 -0.000001 -0.000063 -0.000080 0.000268 220 F 15 XX 0.000001 -0.000000 0.000004 -0.000005 0.000019 221 F 15 YY -0.000000 -0.000000 0.000003 -0.000001 0.000013 222 F 15 ZZ -0.000001 0.000000 -0.000007 0.000006 -0.000032 223 F 15 XY -0.000001 -0.000000 -0.000021 0.000006 -0.000011 224 F 15 XZ 0.000000 0.000000 0.000004 -0.000003 -0.000007 225 F 15 YZ -0.000000 0.000000 -0.000007 -0.000004 0.000041 226 F 16 S 0.000004 0.000001 0.000276 -0.001055 1.001179 227 F 16 S 0.000007 0.000002 0.000009 -0.000043 0.001541 228 F 16 S -0.000024 -0.000009 -0.000005 0.000286 -0.006172 229 F 16 X 0.000000 0.000000 -0.000001 -0.000025 0.000282 230 F 16 Y 0.000000 0.000000 0.000002 -0.000016 -0.000906 231 F 16 Z 0.000000 -0.000000 0.000001 -0.000005 0.000479 232 F 16 X -0.000009 -0.000004 -0.000052 0.000104 -0.000486 233 F 16 Y 0.000008 0.000002 -0.000099 0.000032 0.001504 234 F 16 Z -0.000005 -0.000000 0.000028 0.000029 -0.000745 235 F 16 XX 0.000001 0.000000 -0.000010 0.000014 0.000091 236 F 16 YY -0.000001 -0.000000 0.000004 -0.000017 -0.000127 237 F 16 ZZ 0.000000 0.000000 0.000007 0.000003 0.000036 238 F 16 XY 0.000000 0.000000 -0.000003 -0.000008 0.000081 239 F 16 XZ -0.000001 -0.000000 -0.000003 -0.000009 -0.000041 240 F 16 YZ 0.000000 0.000000 -0.000004 -0.000004 0.000128 241 F 17 S -0.000000 0.000002 0.000054 -0.000355 -0.000294 242 F 17 S -0.000000 0.000004 -0.000008 -0.000023 -0.000050 243 F 17 S -0.000000 -0.000019 0.000054 0.000201 0.000175 244 F 17 X -0.000000 -0.000000 0.000004 -0.000024 0.000004 245 F 17 Y 0.000000 0.000000 -0.000005 0.000011 0.000007 246 F 17 Z 0.000000 0.000000 0.000003 -0.000002 0.000000 247 F 17 X 0.000001 -0.000001 -0.000088 0.000091 -0.000027 248 F 17 Y -0.000000 -0.000005 0.000109 -0.000041 -0.000009 249 F 17 Z -0.000000 -0.000004 0.000035 0.000011 0.000028 250 F 17 XX 0.000000 0.000001 -0.000011 0.000013 -0.000002 251 F 17 YY 0.000000 -0.000000 0.000004 -0.000015 -0.000000 252 F 17 ZZ -0.000000 -0.000000 0.000006 0.000003 0.000003 253 F 17 XY -0.000000 0.000000 -0.000001 0.000015 -0.000000 254 F 17 XZ -0.000000 -0.000000 -0.000004 -0.000009 -0.000001 255 F 17 YZ 0.000000 -0.000000 0.000004 -0.000003 0.000004 256 F 18 S 0.000001 -0.000000 -0.000176 0.000007 0.000064 257 F 18 S 0.000002 -0.000001 -0.000047 -0.000007 0.000047 258 F 18 S -0.000007 0.000001 0.000339 -0.000085 -0.000207 259 F 18 X 0.000000 0.000000 -0.000016 0.000037 0.000001 260 F 18 Y 0.000000 -0.000000 0.000017 -0.000025 0.000000 261 F 18 Z -0.000000 -0.000000 0.000005 0.000013 0.000001 262 F 18 X -0.000002 -0.000002 0.000057 -0.000150 -0.000050 263 F 18 Y -0.000002 0.000003 -0.000013 0.000086 -0.000071 264 F 18 Z 0.000001 0.000002 -0.000060 -0.000062 0.000042 265 F 18 XX -0.000000 0.000000 -0.000001 -0.000003 -0.000005 266 F 18 YY -0.000000 -0.000000 0.000003 -0.000002 0.000002 267 F 18 ZZ 0.000000 -0.000000 -0.000001 0.000005 0.000003 268 F 18 XY -0.000000 0.000000 0.000020 -0.000006 -0.000003 269 F 18 XZ -0.000000 0.000000 0.000008 -0.000003 0.000004 270 F 18 YZ -0.000000 -0.000000 0.000011 0.000001 0.000006 271 C 19 S -0.000007 -0.000001 -0.000000 -0.000001 0.000003 272 C 19 S -0.000015 -0.000001 -0.000000 -0.000002 0.000006 273 C 19 S 0.000065 0.000022 -0.000002 0.000029 0.000139 274 C 19 X 0.000008 0.000000 -0.000002 -0.000001 -0.000007 275 C 19 Y 0.000004 -0.000001 -0.000002 -0.000002 -0.000005 276 C 19 Z 0.000001 -0.000000 -0.000000 -0.000000 -0.000001 277 C 19 X 0.000019 -0.000016 -0.000011 0.000006 -0.000019 278 C 19 Y -0.000064 -0.000002 0.000011 -0.000016 -0.000016 279 C 19 Z -0.000014 0.000002 -0.000002 -0.000006 -0.000008 280 C 19 XX -0.000011 0.000000 0.000005 -0.000002 0.000006 281 C 19 YY 0.000013 -0.000000 -0.000004 0.000002 -0.000005 282 C 19 ZZ -0.000002 0.000000 -0.000001 0.000000 -0.000001 283 C 19 XY -0.000012 0.000001 0.000003 0.000000 0.000001 284 C 19 XZ -0.000001 -0.000000 0.000001 0.000000 0.000002 285 C 19 YZ 0.000002 -0.000000 0.000000 0.000001 -0.000000 286 H 20 S -0.000000 0.000002 -0.000003 -0.000001 -0.000013 287 H 20 S -0.000006 0.000005 -0.000001 -0.000009 -0.000013 288 H 20 X -0.000004 0.000000 0.000003 -0.000000 0.000006 289 H 20 Y 0.000001 0.000001 0.000001 -0.000000 0.000001 290 H 20 Z 0.000001 -0.000000 0.000000 0.000001 0.000001 291 H 21 S -0.000006 -0.000001 0.000001 -0.000002 0.000003 292 H 21 S 0.000013 -0.000000 -0.000009 0.000001 -0.000012 293 H 21 X 0.000003 0.000001 -0.000000 -0.000001 -0.000005 294 H 21 Y 0.000003 -0.000001 -0.000001 0.000001 -0.000004 295 H 21 Z 0.000001 -0.000001 -0.000000 0.000000 -0.000002 296 C 22 S -0.000001 -0.000011 -0.000007 0.000010 -0.000003 297 C 22 S -0.000002 -0.000021 -0.000011 0.000017 -0.000004 298 C 22 S 0.000021 0.000146 0.000212 -0.000243 0.000189 299 C 22 X -0.000000 -0.000001 -0.000002 0.000002 -0.000003 300 C 22 Y 0.000000 -0.000008 0.000011 -0.000004 0.000004 301 C 22 Z 0.000000 -0.000001 0.000001 -0.000000 -0.000000 302 C 22 X -0.000004 -0.000080 -0.000101 0.000036 -0.000036 303 C 22 Y 0.000008 0.000044 0.000043 -0.000082 0.000033 304 C 22 Z -0.000001 0.000012 0.000005 -0.000006 0.000008 305 C 22 XX 0.000000 0.000016 0.000002 -0.000000 0.000002 306 C 22 YY -0.000001 -0.000015 -0.000005 0.000001 -0.000007 307 C 22 ZZ 0.000000 -0.000001 0.000004 -0.000001 0.000005 308 C 22 XY -0.000001 -0.000007 -0.000010 0.000001 -0.000001 309 C 22 XZ -0.000000 -0.000002 -0.000001 0.000001 0.000001 310 C 22 YZ -0.000000 0.000000 0.000001 -0.000001 -0.000001 311 H 23 S 0.000000 -0.000002 -0.000012 0.000006 -0.000003 312 H 23 S -0.000000 -0.000009 -0.000022 0.000004 -0.000027 313 H 23 X 0.000000 0.000003 -0.000001 0.000001 -0.000001 314 H 23 Y 0.000000 0.000003 0.000005 0.000001 -0.000001 315 H 23 Z 0.000000 -0.000001 0.000000 0.000000 -0.000001 316 H 24 S -0.000001 -0.000010 -0.000008 0.000009 -0.000009 317 H 24 S 0.000001 0.000018 0.000010 -0.000002 -0.000000 318 H 24 X -0.000000 0.000001 0.000005 0.000001 0.000001 319 H 24 Y -0.000000 -0.000004 0.000000 -0.000002 0.000003 320 H 24 Z 0.000000 -0.000001 -0.000000 -0.000002 0.000003 321 H 25 S -0.000002 -0.000009 -0.000009 0.000010 -0.000005 322 H 25 S 0.000000 0.000020 0.000004 0.000003 -0.000004 323 H 25 X 0.000000 0.000001 0.000007 -0.000000 0.000001 324 H 25 Y -0.000000 -0.000004 -0.000001 -0.000001 0.000001 325 H 25 Z -0.000000 -0.000001 -0.000001 0.000003 -0.000003 326 C 26 S -0.000003 -0.000002 0.000011 0.000003 -0.000012 327 C 26 S -0.000006 -0.000005 0.000019 0.000007 -0.000021 328 C 26 S -0.000043 0.000004 -0.000097 0.000018 0.000360 329 C 26 X 0.000001 -0.000005 0.000000 -0.000004 -0.000001 330 C 26 Y -0.000004 0.000006 0.000001 0.000003 0.000004 331 C 26 Z -0.000005 -0.000002 0.000002 0.000006 0.000012 332 C 26 X -0.000001 -0.000021 -0.000001 -0.000005 0.000009 333 C 26 Y -0.000022 -0.000063 -0.000003 -0.000015 0.000032 334 C 26 Z 0.000038 0.000058 -0.000004 -0.000060 0.000171 335 C 26 XX 0.000003 0.000003 -0.000008 0.000002 -0.000009 336 C 26 YY -0.000008 -0.000007 0.000003 0.000005 0.000001 337 C 26 ZZ 0.000005 0.000004 0.000006 -0.000007 0.000009 338 C 26 XY 0.000004 0.000005 0.000001 0.000003 -0.000002 339 C 26 XZ 0.000001 -0.000009 0.000004 -0.000004 -0.000005 340 C 26 YZ 0.000003 0.000008 -0.000003 0.000004 -0.000007 341 H 27 S 0.000001 -0.000010 0.000002 0.000005 -0.000020 342 H 27 S -0.000003 -0.000023 0.000042 -0.000072 0.000055 343 H 27 X 0.000000 -0.000005 -0.000001 -0.000007 0.000008 344 H 27 Y 0.000000 0.000006 0.000006 -0.000004 0.000007 345 H 27 Z -0.000003 -0.000005 0.000006 -0.000004 -0.000000 346 H 28 S -0.000003 0.000024 0.000005 0.000005 -0.000014 347 H 28 S 0.000067 0.000040 0.000014 -0.000016 -0.000009 348 H 28 X 0.000003 0.000002 -0.000001 -0.000001 0.000001 349 H 28 Y -0.000010 -0.000008 0.000001 0.000003 0.000005 350 H 28 Z 0.000003 0.000003 0.000003 0.000004 -0.000003 351 H 29 S 0.000006 -0.000021 0.000008 -0.000011 -0.000010 352 H 29 S 0.000010 0.000054 -0.000006 -0.000021 0.000009 353 H 29 X -0.000002 -0.000003 -0.000005 0.000004 -0.000000 354 H 29 Y 0.000002 0.000000 0.000001 -0.000001 0.000000 355 H 29 Z -0.000000 0.000001 -0.000005 -0.000002 0.000001 356 C 30 S 0.000002 -0.000028 0.000011 -0.000005 0.000008 357 C 30 S 0.000003 -0.000051 0.000019 -0.000009 0.000017 358 C 30 S -0.000048 0.000176 -0.000067 -0.000087 0.000225 359 C 30 X 0.000000 -0.000012 -0.000002 0.000003 -0.000004 360 C 30 Y -0.000000 0.000009 -0.000002 0.000004 -0.000006 361 C 30 Z 0.000002 0.000007 -0.000001 0.000010 -0.000023 362 C 30 X 0.000015 0.000083 0.000032 -0.000036 0.000026 363 C 30 Y -0.000001 -0.000073 0.000009 -0.000014 0.000045 364 C 30 Z 0.000011 -0.000118 0.000013 0.000041 -0.000129 365 C 30 XX 0.000000 -0.000002 -0.000018 0.000013 -0.000012 366 C 30 YY 0.000000 -0.000003 0.000009 -0.000005 0.000002 367 C 30 ZZ -0.000001 0.000005 0.000009 -0.000008 0.000010 368 C 30 XY 0.000001 -0.000005 -0.000006 -0.000001 0.000012 369 C 30 XZ 0.000000 0.000001 -0.000005 -0.000005 0.000022 370 C 30 YZ 0.000002 0.000003 -0.000010 0.000008 -0.000027 371 H 31 S 0.000005 -0.000029 0.000003 -0.000001 -0.000013 372 H 31 S 0.000001 0.000007 0.000015 -0.000012 0.000026 373 H 31 X -0.000001 -0.000008 -0.000005 0.000007 -0.000009 374 H 31 Y 0.000001 0.000004 -0.000009 0.000008 -0.000010 375 H 31 Z -0.000001 0.000004 -0.000006 0.000005 0.000005 376 H 32 S 0.000002 0.000009 0.000016 -0.000011 -0.000001 377 H 32 S 0.000021 0.000063 0.000029 -0.000026 0.000038 378 H 32 X 0.000003 0.000003 -0.000003 -0.000005 0.000034 379 H 32 Y -0.000002 -0.000002 -0.000008 0.000008 -0.000016 380 H 32 Z -0.000001 0.000002 -0.000007 0.000005 0.000006 381 H 33 S 0.000001 -0.000024 0.000011 0.000004 -0.000018 382 H 33 S -0.000005 -0.000003 -0.000026 0.000030 -0.000014 383 H 33 X 0.000000 -0.000010 -0.000006 0.000000 0.000002 384 H 33 Y 0.000001 0.000010 -0.000002 -0.000001 0.000001 385 H 33 Z 0.000000 0.000007 0.000002 -0.000000 -0.000001 386 H 34 S -0.000006 -0.000002 0.000000 -0.000001 0.000006 387 H 34 S 0.000023 -0.000002 0.000000 0.000003 -0.000012 388 H 34 X 0.000003 0.000000 -0.000000 -0.000000 -0.000004 389 H 34 Y 0.000003 -0.000001 -0.000002 0.000001 -0.000004 390 H 34 Z -0.000000 0.000001 -0.000001 0.000000 0.000002 391 F 35 S 0.000000 0.000001 0.998788 0.069066 -0.000201 392 F 35 S 0.000000 0.000001 0.001528 0.000081 0.000002 393 F 35 S -0.000001 -0.000007 -0.006082 -0.000353 0.000034 394 F 35 X -0.000000 -0.000000 0.001026 0.000056 0.000000 395 F 35 Y -0.000000 0.000000 0.000098 0.000011 -0.000006 396 F 35 Z -0.000000 0.000000 -0.000345 -0.000070 -0.000001 397 F 35 X -0.000000 -0.000002 -0.001621 -0.000151 0.000068 398 F 35 Y 0.000000 -0.000001 -0.000138 -0.000060 0.000099 399 F 35 Z 0.000002 0.000000 0.000437 0.000493 -0.000018 400 F 35 XX -0.000000 -0.000000 -0.000169 -0.000003 0.000004 401 F 35 YY 0.000000 0.000000 0.000102 0.000014 -0.000010 402 F 35 ZZ -0.000000 -0.000000 0.000067 -0.000011 0.000006 403 F 35 XY -0.000000 -0.000000 -0.000029 -0.000007 0.000003 404 F 35 XZ 0.000001 0.000000 0.000090 0.000052 -0.000003 405 F 35 YZ -0.000000 -0.000000 0.000009 0.000006 -0.000002 406 F 36 S -0.000000 0.000000 -0.069079 0.998776 0.001027 407 F 36 S -0.000001 0.000000 -0.000124 0.001501 -0.000039 408 F 36 S 0.000003 0.000000 0.000445 -0.006023 0.000300 409 F 36 X -0.000000 -0.000000 -0.000046 0.000031 0.000017 410 F 36 Y -0.000000 -0.000000 0.000004 -0.000092 0.000026 411 F 36 Z 0.000000 0.000000 -0.000080 0.001066 0.000003 412 F 36 X 0.000003 -0.000000 0.000412 -0.000070 -0.000035 413 F 36 Y -0.000000 0.000000 0.000036 0.000152 -0.000089 414 F 36 Z 0.000002 -0.000002 -0.000048 -0.001726 0.000032 415 F 36 XX -0.000000 0.000000 0.000000 0.000098 0.000018 416 F 36 YY -0.000000 -0.000000 0.000004 0.000110 -0.000008 417 F 36 ZZ 0.000000 -0.000000 -0.000004 -0.000208 -0.000010 418 F 36 XY 0.000000 -0.000000 -0.000005 -0.000001 -0.000017 419 F 36 XZ 0.000000 -0.000000 0.000049 -0.000012 -0.000002 420 F 36 YZ -0.000000 -0.000000 0.000005 0.000032 -0.000006 421 C 37 S -0.000005 0.000009 -0.000007 -0.000004 0.000002 422 C 37 S -0.000010 0.000016 -0.000011 -0.000007 0.000000 423 C 37 S 0.000002 -0.000152 0.000154 0.000125 -0.000624 424 C 37 X 0.000004 -0.000000 0.000002 0.000001 0.000015 425 C 37 Y -0.000004 -0.000001 -0.000005 -0.000003 0.000001 426 C 37 Z 0.000001 0.000001 0.000002 -0.000000 -0.000009 427 C 37 X 0.000167 0.000041 -0.000204 -0.000070 0.000158 428 C 37 Y 0.000079 0.000036 0.000048 0.000102 -0.000083 429 C 37 Z 0.000014 0.000015 0.000026 -0.000011 -0.000046 430 C 37 XX -0.000005 0.000004 0.000007 -0.000001 -0.000002 431 C 37 YY 0.000009 -0.000009 0.000003 0.000001 -0.000013 432 C 37 ZZ -0.000004 0.000005 -0.000010 -0.000000 0.000015 433 C 37 XY 0.000010 0.000001 0.000001 -0.000001 -0.000000 434 C 37 XZ -0.000000 -0.000000 -0.000000 0.000004 0.000007 435 C 37 YZ -0.000000 -0.000005 -0.000004 0.000001 0.000006 436 S 38 S 1.000045 0.000000 -0.000006 0.000000 0.000006 437 S 38 S 0.000225 -0.000002 -0.000041 0.000003 0.000040 438 S 38 S 0.000260 -0.000002 -0.000044 0.000004 0.000050 439 S 38 S -0.001251 0.000043 0.000437 -0.000013 -0.000198 440 S 38 X 0.000038 -0.000001 -0.000005 -0.000002 -0.000012 441 S 38 Y -0.000049 -0.000001 -0.000009 0.000000 0.000000 442 S 38 Z -0.000001 0.000000 0.000001 0.000003 0.000001 443 S 38 X 0.000002 -0.000003 -0.000018 -0.000007 -0.000038 444 S 38 Y 0.000000 -0.000002 -0.000029 0.000001 0.000002 445 S 38 Z -0.000002 0.000000 0.000002 0.000012 0.000004 446 S 38 X -0.000231 -0.000017 0.000147 -0.000021 0.000296 447 S 38 Y 0.000307 -0.000019 -0.000119 -0.000003 0.000193 448 S 38 Z 0.000000 0.000003 -0.000022 -0.000002 0.000040 449 S 38 XX -0.000024 -0.000000 0.000016 0.000003 0.000005 450 S 38 YY -0.000023 0.000000 -0.000007 -0.000003 -0.000017 451 S 38 ZZ 0.000047 -0.000000 -0.000010 -0.000000 0.000013 452 S 38 XY 0.000008 0.000007 -0.000002 0.000004 -0.000041 453 S 38 XZ -0.000002 0.000000 0.000002 0.000002 -0.000002 454 S 38 YZ -0.000002 -0.000001 0.000008 -0.000011 -0.000017 455 S 38 XX 0.000005 0.000000 -0.000002 -0.000001 0.000000 456 S 38 YY 0.000005 -0.000000 0.000001 0.000000 0.000002 457 S 38 ZZ -0.000011 0.000000 0.000001 0.000000 -0.000002 458 S 38 XY -0.000000 -0.000001 0.000001 -0.000000 0.000006 459 S 38 XZ 0.000000 -0.000000 -0.000000 -0.000000 0.000000 460 S 38 YZ 0.000000 0.000000 -0.000001 0.000002 0.000003 461 H 39 S -0.000016 0.000003 0.000017 0.000006 0.000015 462 H 39 S -0.000049 -0.000009 0.000060 0.000024 -0.000020 463 H 39 X -0.000006 0.000000 0.000006 0.000001 -0.000005 464 H 39 Y -0.000007 -0.000001 0.000000 -0.000003 0.000004 465 H 39 Z -0.000002 0.000000 -0.000002 0.000002 0.000001 6 7 8 9 10 -26.3319 -26.3269 -26.3236 -11.4439 -11.4430 A A A A A 1 C 1 S 0.000030 0.000018 0.000035 -0.000013 -0.000054 2 C 1 S 0.000053 0.000030 0.000058 -0.000023 -0.000088 3 C 1 S -0.000434 -0.000042 -0.000840 0.000060 0.000402 4 C 1 X -0.000003 0.000003 0.000027 0.000003 -0.000009 5 C 1 Y -0.000004 0.000015 -0.000007 0.000002 -0.000021 6 C 1 Z 0.000001 -0.000000 -0.000008 -0.000003 -0.000002 7 C 1 X 0.000483 0.000122 0.000589 -0.000153 -0.000542 8 C 1 Y 0.000067 -0.000352 -0.000095 -0.000036 0.000507 9 C 1 Z -0.000046 -0.000013 0.000018 0.000019 0.000074 10 C 1 XX -0.000024 -0.000015 -0.000048 0.000010 0.000047 11 C 1 YY 0.000007 -0.000003 0.000015 -0.000002 -0.000005 12 C 1 ZZ 0.000018 0.000018 0.000033 -0.000009 -0.000042 13 C 1 XY 0.000008 0.000012 0.000012 -0.000003 -0.000017 14 C 1 XZ 0.000006 -0.000000 -0.000003 -0.000002 -0.000009 15 C 1 YZ 0.000000 0.000003 -0.000002 0.000001 0.000005 16 C 2 S 0.000025 0.000001 -0.000044 -0.000026 -0.000004 17 C 2 S 0.000046 0.000007 -0.000070 -0.000042 -0.000009 18 C 2 S -0.000582 0.000144 0.000881 0.000317 0.000022 19 C 2 X -0.000006 -0.000003 -0.000010 0.000002 -0.000007 20 C 2 Y -0.000014 0.000014 0.000003 0.000005 0.000006 21 C 2 Z -0.000003 -0.000006 0.000017 0.000002 0.000002 22 C 2 X 0.000582 -0.000211 0.000530 -0.000078 -0.000025 23 C 2 Y -0.000805 0.000102 -0.000117 0.000420 0.000461 24 C 2 Z 0.000011 0.000000 -0.000192 0.000017 -0.000008 25 C 2 XX 0.000025 0.000009 0.000063 -0.000012 -0.000060 26 C 2 YY -0.000040 0.000004 -0.000021 0.000029 0.000050 27 C 2 ZZ 0.000015 -0.000013 -0.000042 -0.000017 0.000010 28 C 2 XY 0.000016 -0.000023 -0.000029 -0.000000 0.000032 29 C 2 XZ -0.000006 -0.000005 -0.000008 0.000001 0.000012 30 C 2 YZ 0.000015 -0.000002 -0.000016 0.000003 -0.000013 31 C 3 S 0.000003 0.000070 0.000029 -0.000010 -0.000100 32 C 3 S 0.000010 0.000112 0.000054 -0.000025 -0.000167 33 C 3 S 0.000025 -0.002536 -0.000624 -0.001382 0.003504 34 C 3 X 0.000002 0.000012 -0.000031 0.000007 0.000007 35 C 3 Y 0.000009 -0.000023 -0.000013 -0.000028 0.000014 36 C 3 Z 0.000018 -0.000007 -0.000001 0.000009 -0.000053 37 C 3 X 0.000055 0.002033 0.000357 -0.000524 -0.002817 38 C 3 Y -0.001585 -0.000373 -0.000264 0.000033 0.001564 39 C 3 Z -0.000340 0.000055 0.000319 0.000020 0.000185 40 C 3 XX -0.000015 -0.000049 0.000008 0.000028 0.000078 41 C 3 YY 0.000010 -0.000003 -0.000012 -0.000015 -0.000052 42 C 3 ZZ 0.000004 0.000053 0.000004 -0.000012 -0.000027 43 C 3 XY 0.000025 0.000067 0.000019 -0.000039 -0.000043 44 C 3 XZ 0.000006 0.000017 -0.000002 -0.000021 0.000031 45 C 3 YZ -0.000005 -0.000010 0.000010 -0.000010 -0.000005 46 C 4 S 0.000024 0.000009 0.000010 -0.000096 -0.000037 47 C 4 S 0.000044 0.000013 0.000016 -0.000164 -0.000062 48 C 4 S 0.000388 -0.000387 -0.000144 0.001133 0.000623 49 C 4 X -0.000037 0.000017 0.000013 0.000023 0.000003 50 C 4 Y 0.000007 -0.000010 -0.000005 -0.000017 0.000019 51 C 4 Z 0.000000 -0.000012 -0.000011 -0.000009 0.000019 52 C 4 X 0.000024 -0.000133 -0.000092 -0.000489 0.000130 53 C 4 Y -0.000190 0.000572 0.000231 0.000067 -0.000312 54 C 4 Z -0.000017 0.000046 -0.000091 -0.000231 -0.000625 55 C 4 XX -0.000006 0.000009 -0.000011 0.000009 -0.000037 56 C 4 YY -0.000009 -0.000013 0.000001 0.000012 0.000048 57 C 4 ZZ 0.000015 0.000004 0.000010 -0.000020 -0.000011 58 C 4 XY 0.000003 -0.000016 -0.000014 0.000038 -0.000013 59 C 4 XZ -0.000006 0.000010 0.000013 0.000000 0.000010 60 C 4 YZ 0.000000 -0.000013 -0.000000 -0.000014 -0.000019 61 S 5 S 0.000008 -0.000001 -0.000002 -0.000007 -0.000002 62 S 5 S 0.000053 -0.000009 -0.000011 -0.000051 -0.000012 63 S 5 S 0.000062 -0.000007 -0.000011 -0.000061 -0.000019 64 S 5 S -0.000305 0.000270 0.000074 0.000208 -0.000213 65 S 5 X 0.000002 -0.000010 -0.000004 0.000003 0.000012 66 S 5 Y -0.000002 0.000001 -0.000001 -0.000003 -0.000001 67 S 5 Z -0.000001 0.000003 0.000003 0.000001 0.000000 68 S 5 X 0.000008 -0.000031 -0.000014 0.000007 0.000038 69 S 5 Y -0.000007 0.000003 -0.000005 -0.000009 -0.000003 70 S 5 Z -0.000005 0.000010 0.000011 0.000004 0.000002 71 S 5 X 0.000091 -0.000098 -0.000085 -0.000061 0.000112 72 S 5 Y 0.000086 0.000010 0.000081 0.000024 -0.000063 73 S 5 Z -0.000021 0.000041 0.000013 0.000021 -0.000023 74 S 5 XX -0.000001 -0.000001 0.000021 -0.000006 -0.000009 75 S 5 YY -0.000012 0.000000 -0.000021 0.000014 0.000006 76 S 5 ZZ 0.000013 0.000001 0.000000 -0.000008 0.000002 77 S 5 XY 0.000005 -0.000002 0.000004 -0.000003 -0.000001 78 S 5 XZ 0.000009 -0.000018 -0.000008 -0.000005 -0.000001 79 S 5 YZ -0.000009 0.000007 0.000012 0.000006 0.000000 80 S 5 XX 0.000000 0.000001 -0.000003 0.000000 0.000001 81 S 5 YY 0.000002 0.000000 0.000003 -0.000002 -0.000001 82 S 5 ZZ -0.000002 -0.000001 -0.000000 0.000001 0.000000 83 S 5 XY -0.000000 0.000000 -0.000001 0.000001 0.000000 84 S 5 XZ -0.000001 0.000003 0.000001 0.000001 0.000000 85 S 5 YZ 0.000001 -0.000001 -0.000002 -0.000001 -0.000000 86 H 6 S 0.000033 -0.000010 0.000020 -0.000009 -0.000000 87 H 6 S -0.000197 -0.000028 -0.000063 0.000119 0.000279 88 H 6 X -0.000020 0.000006 -0.000028 0.000012 0.000010 89 H 6 Y 0.000001 0.000001 -0.000001 -0.000014 0.000003 90 H 6 Z 0.000002 0.000000 0.000010 -0.000002 0.000003 91 C 7 S -0.000005 0.000007 0.000053 -0.000162 0.000135 92 C 7 S -0.000006 0.000019 0.000088 -0.000230 0.000196 93 C 7 S 0.000860 -0.000154 -0.001111 0.004473 -0.003634 94 C 7 X -0.000017 -0.000003 0.000019 0.000033 -0.000000 95 C 7 Y -0.000022 -0.000034 -0.000001 0.000019 -0.000014 96 C 7 Z -0.000010 0.000011 -0.000005 0.000004 -0.000067 97 C 7 X -0.000826 0.000060 0.001075 -0.001810 0.000625 98 C 7 Y -0.000138 0.000587 0.000435 -0.002908 0.002186 99 C 7 Z 0.000365 0.000204 -0.000284 0.000418 0.000218 100 C 7 XX 0.000010 0.000010 -0.000039 0.000010 -0.000023 101 C 7 YY -0.000010 -0.000002 0.000004 0.000040 -0.000030 102 C 7 ZZ -0.000000 -0.000008 0.000035 -0.000050 0.000052 103 C 7 XY 0.000038 -0.000018 -0.000065 0.000096 -0.000065 104 C 7 XZ -0.000020 -0.000019 0.000026 -0.000009 0.000027 105 C 7 YZ -0.000019 -0.000007 0.000021 -0.000026 0.000018 106 C 8 S -0.000011 0.000010 0.000017 -0.000034 0.000004 107 C 8 S -0.000018 0.000018 0.000029 -0.000057 0.000009 108 C 8 S 0.000135 -0.000057 -0.000126 0.000290 0.000459 109 C 8 X 0.000005 -0.000000 -0.000005 0.000020 -0.000010 110 C 8 Y 0.000002 -0.000005 -0.000008 0.000009 -0.000032 111 C 8 Z 0.000002 -0.000004 -0.000002 0.000003 -0.000002 112 C 8 X -0.000149 -0.000001 0.000058 -0.000271 0.000119 113 C 8 Y -0.000155 0.000149 0.000304 -0.000654 0.000306 114 C 8 Z -0.000027 0.000047 0.000035 -0.000078 0.000019 115 C 8 XX 0.000005 -0.000005 -0.000003 0.000015 0.000002 116 C 8 YY 0.000003 -0.000000 -0.000009 0.000012 -0.000008 117 C 8 ZZ -0.000008 0.000006 0.000012 -0.000027 0.000006 118 C 8 XY 0.000005 0.000004 -0.000000 0.000007 -0.000004 119 C 8 XZ -0.000000 -0.000002 0.000001 -0.000003 -0.000003 120 C 8 YZ 0.000004 -0.000000 -0.000005 0.000000 -0.000001 121 C 9 S -0.000024 0.000026 0.000034 -0.000059 0.000001 122 C 9 S -0.000040 0.000047 0.000062 -0.000113 0.000008 123 C 9 S 0.000581 0.000019 -0.000423 -0.000144 0.000677 124 C 9 X -0.000007 -0.000027 -0.000012 0.000042 -0.000038 125 C 9 Y -0.000008 0.000001 -0.000006 -0.000002 -0.000010 126 C 9 Z 0.000014 -0.000008 -0.000013 -0.000008 0.000003 127 C 9 X -0.000054 0.000271 0.000227 -0.000017 -0.000304 128 C 9 Y 0.000282 0.000177 -0.000031 0.000642 0.000773 129 C 9 Z 0.000043 -0.000204 0.000006 -0.000284 0.000188 130 C 9 XX -0.000007 -0.000007 0.000011 0.000032 0.000039 131 C 9 YY 0.000011 0.000006 -0.000009 0.000005 -0.000046 132 C 9 ZZ -0.000005 0.000001 -0.000002 -0.000037 0.000006 133 C 9 XY 0.000004 0.000013 0.000015 -0.000008 -0.000006 134 C 9 XZ -0.000002 0.000020 0.000006 -0.000000 0.000000 135 C 9 YZ -0.000001 0.000009 0.000008 0.000014 0.000027 136 C 10 S 0.000052 -0.000031 -0.000015 0.001805 -0.000938 137 C 10 S 0.000083 -0.000079 -0.000010 -0.000208 -0.000145 138 C 10 S -0.002325 0.000674 0.001809 0.002451 -0.000766 139 C 10 X 0.000033 0.000091 -0.000024 -0.000121 0.000094 140 C 10 Y 0.000001 -0.000059 -0.000033 0.000059 -0.000008 141 C 10 Z 0.000014 -0.000002 -0.000006 0.000030 0.000047 142 C 10 X -0.000557 0.000988 0.000064 -0.008569 0.005316 143 C 10 Y -0.000541 -0.000971 0.001159 0.000013 -0.000314 144 C 10 Z -0.000476 -0.001127 0.000218 0.000854 -0.001000 145 C 10 XX -0.000065 -0.000084 0.000065 0.000203 0.000005 146 C 10 YY 0.000037 0.000076 -0.000040 -0.000166 0.000060 147 C 10 ZZ 0.000028 0.000007 -0.000025 -0.000036 -0.000065 148 C 10 XY 0.000011 0.000012 0.000068 -0.000092 0.000100 149 C 10 XZ 0.000036 0.000162 -0.000002 0.000035 0.000083 150 C 10 YZ 0.000046 -0.000047 -0.000028 0.000006 0.000039 151 C 11 S 0.000085 0.000040 -0.000006 -0.000044 0.000333 152 C 11 S 0.000122 0.000082 -0.000040 -0.000155 0.000119 153 C 11 S -0.001239 0.001341 -0.000137 0.000034 -0.003566 154 C 11 X 0.000024 -0.000061 0.000081 -0.000014 0.000033 155 C 11 Y -0.000001 0.000034 0.000064 -0.000017 -0.000023 156 C 11 Z -0.000009 0.000006 0.000005 -0.000013 0.000074 157 C 11 X 0.002321 0.001733 0.001347 0.001812 -0.004114 158 C 11 Y 0.001563 -0.002242 0.000409 0.000717 0.000840 159 C 11 Z 0.000975 0.000300 -0.000903 -0.000260 -0.000361 160 C 11 XX -0.000042 0.000079 -0.000080 -0.000009 0.000016 161 C 11 YY -0.000045 -0.000089 0.000022 0.000105 -0.000079 162 C 11 ZZ 0.000086 0.000010 0.000057 -0.000096 0.000063 163 C 11 XY -0.000118 -0.000071 -0.000059 0.000080 -0.000006 164 C 11 XZ -0.000114 0.000042 0.000137 0.000017 0.000075 165 C 11 YZ -0.000037 -0.000010 0.000061 0.000031 -0.000018 166 C 12 S -0.000178 -0.000341 0.000167 0.924453 -0.387714 167 C 12 S -0.000308 -0.000535 0.000297 0.004298 -0.002201 168 C 12 S 0.001359 0.004999 -0.001284 -0.014652 0.012410 169 C 12 X -0.000021 -0.000108 0.000006 -0.000671 0.000073 170 C 12 Y 0.000030 0.000133 -0.000047 0.000677 -0.000556 171 C 12 Z -0.000025 0.000351 0.000001 0.000367 -0.000316 172 C 12 X 0.000627 -0.000117 -0.000622 -0.003449 0.000946 173 C 12 Y -0.000724 -0.000812 0.000132 0.003010 -0.003168 174 C 12 Z 0.000310 0.002588 0.000011 0.001096 -0.001042 175 C 12 XX 0.000003 -0.000072 0.000019 -0.000336 0.000017 176 C 12 YY -0.000021 -0.000083 -0.000027 0.000109 0.000044 177 C 12 ZZ 0.000017 0.000155 0.000008 0.000227 -0.000061 178 C 12 XY -0.000009 -0.000050 0.000019 -0.000026 0.000098 179 C 12 XZ -0.000006 -0.000091 0.000004 -0.000020 0.000029 180 C 12 YZ 0.000044 0.000048 0.000009 -0.000164 0.000088 181 C 13 S 0.000148 0.000023 0.000011 0.385640 0.914083 182 C 13 S 0.000235 0.000014 -0.000004 0.001453 0.004228 183 C 13 S -0.001964 -0.001196 -0.000654 0.000317 -0.012961 184 C 13 X -0.000038 -0.000061 -0.000058 -0.000228 -0.000833 185 C 13 Y 0.000044 -0.000119 0.000116 0.000341 -0.000173 186 C 13 Z -0.000024 -0.000040 -0.000010 -0.000113 -0.000676 187 C 13 X -0.000658 0.000186 0.000287 -0.000019 -0.003605 188 C 13 Y 0.000861 -0.000124 0.000433 0.001318 -0.000754 189 C 13 Z 0.000287 -0.000983 -0.000800 0.000034 -0.001676 190 C 13 XX 0.000008 0.000062 0.000051 0.000002 0.000152 191 C 13 YY -0.000094 -0.000016 -0.000038 -0.000143 -0.000349 192 C 13 ZZ 0.000086 -0.000045 -0.000014 0.000141 0.000197 193 C 13 XY 0.000059 -0.000029 0.000038 0.000116 0.000028 194 C 13 XZ 0.000043 -0.000050 -0.000055 -0.000077 -0.000213 195 C 13 YZ -0.000048 -0.000113 0.000097 0.000041 -0.000104 196 C 14 S -0.000302 0.000103 -0.000321 0.038265 0.139180 197 C 14 S -0.000452 0.000188 -0.000500 -0.000191 0.000368 198 C 14 S 0.006456 -0.000069 0.004914 0.002492 0.001967 199 C 14 X -0.000028 0.000029 -0.000110 -0.000021 -0.000315 200 C 14 Y -0.000272 0.000050 -0.000207 0.000002 0.000104 201 C 14 Z -0.000186 0.000010 0.000307 -0.000037 -0.000063 202 C 14 X 0.000629 -0.000460 -0.000252 -0.000147 -0.001362 203 C 14 Y -0.001164 0.000253 0.000020 0.000572 0.001055 204 C 14 Z -0.002336 -0.000139 0.002601 0.000610 -0.000565 205 C 14 XX -0.000065 0.000009 -0.000096 -0.000127 -0.000046 206 C 14 YY 0.000065 -0.000025 -0.000039 0.000100 0.000033 207 C 14 ZZ 0.000000 0.000016 0.000135 0.000027 0.000013 208 C 14 XY 0.000073 0.000020 0.000103 -0.000024 -0.000124 209 C 14 XZ 0.000005 -0.000009 -0.000084 -0.000035 0.000014 210 C 14 YZ 0.000177 -0.000029 -0.000100 0.000049 -0.000032 211 F 15 S 0.000214 1.001150 0.000301 -0.000036 0.000022 212 F 15 S 0.000080 0.001481 -0.000044 0.000124 -0.000053 213 F 15 S -0.000355 -0.005971 0.000189 0.000403 -0.000553 214 F 15 X 0.000002 0.000266 0.000004 0.000060 -0.000002 215 F 15 Y -0.000001 -0.000107 -0.000009 0.000039 0.000033 216 F 15 Z 0.000002 -0.001009 0.000007 -0.000274 0.000149 217 F 15 X -0.000077 -0.000461 0.000029 0.000067 -0.000118 218 F 15 Y 0.000070 0.000218 -0.000007 -0.000375 0.000074 219 F 15 Z 0.000101 0.001642 -0.000085 0.000365 -0.000019 220 F 15 XX -0.000005 0.000093 0.000001 0.000048 -0.000029 221 F 15 YY 0.000008 0.000094 -0.000002 0.000101 -0.000024 222 F 15 ZZ -0.000003 -0.000187 0.000000 -0.000149 0.000053 223 F 15 XY -0.000000 0.000016 0.000003 0.000011 0.000023 224 F 15 XZ 0.000007 0.000092 -0.000001 0.000061 -0.000010 225 F 15 YZ -0.000007 -0.000037 0.000007 0.000014 0.000019 226 F 16 S 0.000240 0.001163 -0.000032 0.000021 0.000022 227 F 16 S -0.000051 0.000013 0.000013 0.000242 -0.000058 228 F 16 S 0.000200 -0.000103 0.000026 -0.000024 -0.000374 229 F 16 X 0.000010 -0.000023 -0.000013 0.000041 -0.000010 230 F 16 Y -0.000011 0.000017 -0.000010 -0.000213 0.000127 231 F 16 Z -0.000002 0.000040 -0.000004 0.000182 -0.000060 232 F 16 X -0.000043 0.000117 0.000084 0.000125 -0.000065 233 F 16 Y 0.000028 0.000044 -0.000001 0.000208 0.000077 234 F 16 Z 0.000022 -0.000456 0.000048 -0.000516 0.000110 235 F 16 XX -0.000001 0.000017 -0.000003 0.000046 -0.000026 236 F 16 YY -0.000001 0.000010 -0.000001 -0.000063 0.000037 237 F 16 ZZ 0.000002 -0.000027 0.000003 0.000017 -0.000011 238 F 16 XY 0.000000 -0.000015 -0.000007 0.000049 -0.000002 239 F 16 XZ -0.000001 -0.000006 0.000004 -0.000030 0.000018 240 F 16 YZ -0.000000 0.000038 -0.000007 0.000130 -0.000035 241 F 17 S 1.001176 -0.000153 0.001154 -0.000036 0.000042 242 F 17 S 0.001533 0.000035 0.000047 -0.000066 0.000099 243 F 17 S -0.006155 -0.000047 -0.000228 0.000111 -0.000376 244 F 17 X 0.000112 -0.000009 -0.000020 0.000007 0.000010 245 F 17 Y 0.000802 0.000016 -0.000028 -0.000026 0.000003 246 F 17 Z 0.000672 -0.000005 0.000032 0.000026 0.000032 247 F 17 X -0.000210 0.000054 0.000115 0.000005 0.000044 248 F 17 Y -0.001386 -0.000063 0.000050 0.000048 -0.000160 249 F 17 Z -0.001099 0.000051 -0.000462 -0.000174 -0.000111 250 F 17 XX 0.000113 -0.000005 0.000013 0.000015 -0.000000 251 F 17 YY -0.000088 -0.000004 0.000025 0.000007 0.000005 252 F 17 ZZ -0.000025 0.000009 -0.000038 -0.000022 -0.000005 253 F 17 XY -0.000031 0.000006 0.000014 -0.000007 -0.000020 254 F 17 XZ -0.000024 0.000003 0.000004 -0.000002 0.000004 255 F 17 YZ -0.000172 0.000004 -0.000026 -0.000022 -0.000026 256 F 18 S -0.001096 -0.000342 1.001150 0.000070 -0.000039 257 F 18 S 0.000044 -0.000033 0.001483 0.000132 -0.000054 258 F 18 S -0.000240 0.000121 -0.005956 -0.000601 0.000033 259 F 18 X -0.000006 0.000007 0.000286 0.000005 0.000034 260 F 18 Y -0.000053 0.000010 0.000355 -0.000034 -0.000023 261 F 18 Z -0.000012 0.000012 -0.000937 -0.000011 -0.000020 262 F 18 X -0.000016 -0.000002 -0.000502 -0.000032 -0.000069 263 F 18 Y 0.000330 -0.000011 -0.000615 -0.000010 0.000061 264 F 18 Z 0.000383 -0.000044 0.001525 0.000178 0.000105 265 F 18 XX 0.000014 0.000003 0.000091 0.000004 0.000003 266 F 18 YY 0.000030 0.000004 0.000058 0.000003 0.000028 267 F 18 ZZ -0.000044 -0.000007 -0.000149 -0.000007 -0.000031 268 F 18 XY 0.000014 -0.000004 -0.000037 -0.000005 -0.000036 269 F 18 XZ 0.000005 0.000001 0.000093 0.000003 0.000018 270 F 18 YZ -0.000023 -0.000002 0.000112 0.000004 -0.000009 271 C 19 S -0.000002 0.000008 0.000010 -0.000027 0.000020 272 C 19 S -0.000004 0.000014 0.000018 -0.000045 0.000033 273 C 19 S 0.000108 -0.000097 -0.000194 0.000455 -0.000375 274 C 19 X -0.000001 0.000001 0.000002 -0.000000 0.000009 275 C 19 Y -0.000001 0.000001 0.000001 -0.000005 0.000010 276 C 19 Z -0.000001 0.000000 0.000000 0.000001 0.000001 277 C 19 X -0.000010 0.000048 0.000056 -0.000171 0.000090 278 C 19 Y -0.000035 0.000046 0.000067 -0.000161 0.000144 279 C 19 Z -0.000007 -0.000015 0.000013 -0.000047 0.000028 280 C 19 XX -0.000002 -0.000001 -0.000002 -0.000001 0.000000 281 C 19 YY -0.000000 -0.000002 -0.000000 0.000003 -0.000004 282 C 19 ZZ 0.000003 0.000003 0.000002 -0.000002 0.000004 283 C 19 XY -0.000002 -0.000004 -0.000002 0.000006 -0.000009 284 C 19 XZ -0.000001 0.000000 -0.000001 0.000000 -0.000002 285 C 19 YZ 0.000000 -0.000000 -0.000001 -0.000001 -0.000003 286 H 20 S -0.000003 0.000004 0.000009 -0.000007 0.000018 287 H 20 S -0.000004 -0.000024 -0.000015 0.000051 -0.000003 288 H 20 X -0.000000 0.000002 -0.000000 -0.000003 -0.000001 289 H 20 Y -0.000001 0.000001 0.000001 0.000000 0.000001 290 H 20 Z -0.000000 0.000002 0.000000 0.000002 -0.000001 291 H 21 S -0.000002 0.000003 0.000005 -0.000028 0.000016 292 H 21 S -0.000006 -0.000020 0.000004 0.000003 -0.000007 293 H 21 X -0.000000 -0.000001 0.000000 0.000001 0.000002 294 H 21 Y 0.000002 0.000001 -0.000000 0.000001 0.000000 295 H 21 Z -0.000001 -0.000002 0.000001 -0.000002 -0.000000 296 C 22 S 0.000018 0.000006 0.000005 -0.000011 -0.000024 297 C 22 S 0.000033 0.000011 0.000010 -0.000019 -0.000041 298 C 22 S -0.000095 -0.000236 -0.000058 0.000050 0.000444 299 C 22 X -0.000004 0.000003 -0.000001 0.000002 -0.000003 300 C 22 Y 0.000008 -0.000004 0.000010 -0.000004 0.000003 301 C 22 Z 0.000002 0.000000 0.000001 0.000000 0.000000 302 C 22 X -0.000021 0.000031 -0.000085 0.000003 -0.000040 303 C 22 Y -0.000086 -0.000075 -0.000068 0.000055 0.000176 304 C 22 Z -0.000019 -0.000008 0.000001 -0.000001 0.000011 305 C 22 XX 0.000000 -0.000000 0.000003 -0.000000 0.000000 306 C 22 YY -0.000013 0.000004 -0.000007 0.000006 0.000004 307 C 22 ZZ 0.000012 -0.000004 0.000004 -0.000006 -0.000004 308 C 22 XY -0.000007 0.000002 -0.000013 0.000001 0.000002 309 C 22 XZ -0.000002 -0.000001 0.000002 -0.000000 0.000000 310 C 22 YZ 0.000000 0.000001 -0.000003 -0.000000 0.000000 311 H 23 S 0.000008 0.000003 -0.000005 -0.000003 -0.000011 312 H 23 S -0.000038 0.000005 -0.000042 0.000027 0.000006 313 H 23 X 0.000004 -0.000000 0.000001 -0.000001 -0.000003 314 H 23 Y 0.000002 0.000000 0.000006 0.000001 -0.000004 315 H 23 Z 0.000001 0.000001 0.000001 0.000001 0.000000 316 H 24 S 0.000005 0.000012 -0.000002 -0.000002 -0.000017 317 H 24 S 0.000011 -0.000002 0.000002 0.000001 -0.000001 318 H 24 X 0.000001 0.000000 0.000010 -0.000001 -0.000002 319 H 24 Y 0.000000 -0.000002 -0.000004 -0.000002 0.000002 320 H 24 Z 0.000001 -0.000003 -0.000001 -0.000001 0.000003 321 H 25 S -0.000003 0.000008 0.000002 -0.000004 -0.000015 322 H 25 S -0.000012 0.000005 0.000022 0.000004 0.000001 323 H 25 X 0.000006 0.000000 0.000005 -0.000001 -0.000003 324 H 25 Y -0.000002 -0.000001 -0.000001 -0.000001 0.000004 325 H 25 Z -0.000003 0.000003 0.000003 0.000002 -0.000003 326 C 26 S -0.000007 0.000017 0.000004 0.000001 -0.000014 327 C 26 S -0.000014 0.000033 0.000011 0.000002 -0.000024 328 C 26 S -0.000020 -0.000088 0.000083 -0.000114 0.000178 329 C 26 X -0.000001 -0.000011 -0.000003 0.000006 0.000000 330 C 26 Y -0.000003 0.000000 0.000001 -0.000003 -0.000007 331 C 26 Z -0.000011 0.000010 0.000018 -0.000002 -0.000000 332 C 26 X -0.000010 0.000029 0.000025 -0.000015 -0.000005 333 C 26 Y 0.000003 -0.000048 0.000013 -0.000110 -0.000060 334 C 26 Z 0.000049 -0.000090 -0.000014 -0.000036 0.000086 335 C 26 XX -0.000013 0.000010 0.000013 -0.000011 0.000026 336 C 26 YY 0.000004 -0.000005 -0.000005 0.000001 -0.000022 337 C 26 ZZ 0.000009 -0.000005 -0.000007 0.000011 -0.000004 338 C 26 XY -0.000006 -0.000017 -0.000008 0.000006 -0.000021 339 C 26 XZ -0.000000 -0.000022 -0.000015 0.000016 -0.000020 340 C 26 YZ -0.000011 -0.000005 -0.000006 -0.000017 -0.000009 341 H 27 S 0.000004 0.000036 0.000000 0.000012 0.000001 342 H 27 S 0.000039 -0.000056 -0.000013 -0.000070 -0.000032 343 H 27 X 0.000002 0.000006 0.000020 -0.000007 0.000016 344 H 27 Y 0.000001 -0.000000 0.000007 0.000007 -0.000007 345 H 27 Z 0.000004 0.000003 -0.000011 0.000004 -0.000004 346 H 28 S -0.000007 0.000012 -0.000012 0.000002 -0.000013 347 H 28 S 0.000026 0.000006 -0.000024 0.000067 0.000032 348 H 28 X -0.000004 -0.000010 -0.000002 -0.000005 0.000000 349 H 28 Y 0.000004 0.000000 -0.000002 0.000007 -0.000008 350 H 28 Z 0.000000 0.000006 -0.000006 0.000003 -0.000010 351 H 29 S 0.000010 -0.000026 -0.000026 0.000021 -0.000029 352 H 29 S 0.000020 -0.000041 -0.000030 -0.000008 0.000018 353 H 29 X -0.000004 0.000013 0.000007 -0.000006 0.000014 354 H 29 Y 0.000003 -0.000007 -0.000007 0.000007 -0.000003 355 H 29 Z 0.000000 -0.000004 -0.000007 0.000006 0.000003 356 C 30 S 0.000009 -0.000005 -0.000008 -0.000012 -0.000004 357 C 30 S 0.000018 -0.000011 -0.000017 -0.000021 -0.000006 358 C 30 S -0.000023 -0.000059 0.000029 -0.000040 0.000261 359 C 30 X -0.000007 0.000001 0.000005 0.000004 -0.000001 360 C 30 Y 0.000001 0.000002 -0.000001 0.000005 -0.000006 361 C 30 Z -0.000002 0.000011 0.000007 0.000018 -0.000012 362 C 30 X 0.000018 0.000028 -0.000027 0.000074 0.000037 363 C 30 Y 0.000017 -0.000084 -0.000060 -0.000030 -0.000041 364 C 30 Z -0.000000 -0.000030 -0.000051 -0.000007 -0.000165 365 C 30 XX 0.000003 0.000002 -0.000001 0.000000 -0.000031 366 C 30 YY 0.000001 -0.000005 -0.000002 -0.000004 0.000009 367 C 30 ZZ -0.000004 0.000004 0.000003 0.000004 0.000022 368 C 30 XY 0.000021 -0.000007 -0.000015 -0.000003 -0.000006 369 C 30 XZ 0.000019 -0.000013 -0.000010 -0.000023 0.000003 370 C 30 YZ -0.000008 0.000020 0.000009 0.000014 -0.000011 371 H 31 S -0.000003 0.000006 -0.000004 0.000015 -0.000006 372 H 31 S 0.000028 -0.000028 -0.000021 -0.000010 0.000001 373 H 31 X -0.000006 0.000006 0.000010 -0.000003 -0.000006 374 H 31 Y 0.000001 0.000009 0.000006 0.000003 -0.000013 375 H 31 Z -0.000003 0.000001 0.000004 -0.000004 -0.000003 376 H 32 S 0.000017 -0.000012 -0.000024 0.000013 -0.000008 377 H 32 S 0.000004 0.000103 0.000053 0.000078 0.000101 378 H 32 X 0.000014 -0.000014 -0.000003 -0.000020 0.000010 379 H 32 Y 0.000003 0.000007 0.000001 0.000005 -0.000015 380 H 32 Z 0.000002 -0.000007 -0.000002 -0.000018 -0.000004 381 H 33 S -0.000012 0.000008 0.000015 0.000013 0.000005 382 H 33 S -0.000018 0.000015 0.000040 -0.000016 -0.000003 383 H 33 X 0.000007 -0.000005 -0.000007 -0.000004 -0.000007 384 H 33 Y 0.000009 0.000001 -0.000005 -0.000002 -0.000004 385 H 33 Z 0.000001 0.000005 0.000000 -0.000005 -0.000001 386 H 34 S -0.000005 0.000005 0.000007 -0.000020 0.000014 387 H 34 S 0.000008 0.000012 -0.000007 0.000026 -0.000007 388 H 34 X -0.000002 -0.000000 0.000001 0.000003 0.000001 389 H 34 Y -0.000000 -0.000001 0.000001 -0.000002 -0.000001 390 H 34 Z 0.000000 -0.000000 0.000000 0.000001 -0.000001 391 F 35 S -0.000045 0.000169 0.000127 0.000062 0.000039 392 F 35 S -0.000015 -0.000055 -0.000043 0.000196 0.000293 393 F 35 S 0.000101 0.000312 0.000260 -0.000482 -0.000181 394 F 35 X 0.000002 0.000001 0.000003 0.000095 0.000258 395 F 35 Y 0.000007 0.000021 -0.000016 0.000008 0.000036 396 F 35 Z -0.000001 -0.000002 -0.000005 -0.000066 -0.000144 397 F 35 X 0.000079 0.000033 0.000004 -0.000334 -0.000317 398 F 35 Y -0.000088 -0.000077 0.000058 -0.000139 -0.000023 399 F 35 Z -0.000026 0.000009 0.000016 0.000214 0.000517 400 F 35 XX 0.000003 -0.000007 -0.000010 -0.000049 -0.000106 401 F 35 YY -0.000008 0.000003 0.000001 0.000030 0.000063 402 F 35 ZZ 0.000005 0.000004 0.000009 0.000019 0.000043 403 F 35 XY -0.000002 -0.000015 0.000012 0.000006 -0.000031 404 F 35 XZ -0.000001 0.000003 0.000003 0.000046 0.000105 405 F 35 YZ -0.000002 -0.000013 0.000014 0.000019 0.000001 406 F 36 S 0.000334 -0.000034 -0.000021 -0.000014 -0.000014 407 F 36 S -0.000023 -0.000001 -0.000004 0.000045 0.000179 408 F 36 S 0.000234 -0.000105 -0.000104 -0.000150 0.000360 409 F 36 X 0.000020 -0.000015 -0.000018 -0.000037 -0.000045 410 F 36 Y -0.000020 -0.000038 0.000037 -0.000048 -0.000008 411 F 36 Z -0.000003 -0.000015 -0.000008 0.000091 0.000303 412 F 36 X -0.000056 0.000036 0.000050 0.000192 0.000388 413 F 36 Y 0.000071 0.000153 -0.000160 0.000120 0.000014 414 F 36 Z 0.000045 0.000077 0.000039 -0.000286 -0.000411 415 F 36 XX 0.000012 -0.000004 -0.000003 0.000027 0.000092 416 F 36 YY -0.000007 -0.000003 -0.000004 0.000052 0.000070 417 F 36 ZZ -0.000005 0.000007 0.000007 -0.000079 -0.000162 418 F 36 XY 0.000022 0.000006 -0.000004 0.000025 -0.000016 419 F 36 XZ -0.000001 -0.000005 -0.000005 0.000027 0.000025 420 F 36 YZ 0.000005 -0.000003 -0.000001 0.000041 0.000012 421 C 37 S 0.000005 0.000018 0.000019 -0.000011 0.000034 422 C 37 S 0.000009 0.000032 0.000034 -0.000019 0.000056 423 C 37 S -0.000275 -0.000153 0.000070 -0.000482 -0.000430 424 C 37 X 0.000003 0.000002 -0.000004 0.000003 -0.000004 425 C 37 Y 0.000000 0.000005 0.000006 -0.000004 0.000027 426 C 37 Z 0.000004 0.000010 -0.000001 0.000008 0.000005 427 C 37 X 0.000177 0.000060 0.000030 0.000238 0.000389 428 C 37 Y 0.000040 0.000199 0.000173 -0.000238 -0.000091 429 C 37 Z 0.000039 0.000033 0.000012 0.000052 0.000029 430 C 37 XX -0.000004 -0.000002 -0.000014 0.000009 -0.000019 431 C 37 YY 0.000003 -0.000006 -0.000000 0.000006 -0.000006 432 C 37 ZZ 0.000001 0.000009 0.000014 -0.000015 0.000025 433 C 37 XY -0.000003 -0.000010 -0.000012 0.000011 -0.000011 434 C 37 XZ -0.000006 -0.000003 0.000002 -0.000012 -0.000010 435 C 37 YZ -0.000005 -0.000007 0.000000 -0.000015 -0.000002 436 S 38 S 0.000004 0.000002 0.000001 -0.000007 0.000007 437 S 38 S 0.000025 0.000013 0.000011 -0.000051 0.000051 438 S 38 S 0.000026 0.000015 0.000015 -0.000067 0.000060 439 S 38 S -0.000153 -0.000263 -0.000089 0.000790 -0.000689 440 S 38 X 0.000004 0.000000 -0.000002 0.000006 0.000010 441 S 38 Y 0.000002 0.000010 0.000002 -0.000020 0.000016 442 S 38 Z -0.000002 0.000007 0.000001 -0.000004 -0.000003 443 S 38 X 0.000013 -0.000004 -0.000009 0.000029 0.000027 444 S 38 Y 0.000007 0.000031 0.000004 -0.000054 0.000046 445 S 38 Z -0.000007 0.000025 0.000006 -0.000015 -0.000011 446 S 38 X -0.000013 -0.000016 -0.000072 -0.000015 -0.000177 447 S 38 Y 0.000056 0.000109 0.000007 -0.000357 0.000227 448 S 38 Z -0.000043 -0.000075 0.000030 -0.000048 -0.000004 449 S 38 XX -0.000010 0.000026 0.000006 -0.000053 0.000004 450 S 38 YY -0.000002 -0.000025 -0.000002 0.000044 -0.000005 451 S 38 ZZ 0.000013 -0.000001 -0.000003 0.000010 0.000002 452 S 38 XY -0.000019 0.000007 0.000020 -0.000032 0.000021 453 S 38 XZ -0.000003 -0.000003 0.000002 0.000006 -0.000005 454 S 38 YZ 0.000023 0.000012 -0.000017 0.000028 0.000015 455 S 38 XX 0.000001 -0.000004 -0.000001 0.000006 -0.000000 456 S 38 YY 0.000000 0.000003 0.000000 -0.000004 0.000000 457 S 38 ZZ -0.000002 0.000001 0.000000 -0.000001 0.000000 458 S 38 XY 0.000002 -0.000001 -0.000002 0.000003 -0.000003 459 S 38 XZ 0.000001 0.000000 -0.000000 -0.000001 0.000001 460 S 38 YZ -0.000003 -0.000002 0.000002 -0.000003 -0.000002 461 H 39 S -0.000001 0.000011 0.000008 -0.000024 -0.000023 462 H 39 S -0.000049 0.000005 -0.000018 -0.000066 -0.000116 463 H 39 X -0.000003 -0.000003 -0.000003 -0.000001 -0.000011 464 H 39 Y -0.000003 -0.000010 -0.000007 0.000009 0.000001 465 H 39 Z -0.000003 -0.000000 -0.000001 -0.000003 -0.000004 11 12 13 14 15 -11.4411 -11.3057 -11.3031 -11.2989 -11.2878 A A A A A 1 C 1 S -0.000044 -0.000376 -0.000009 -0.000034 0.000370 2 C 1 S -0.000074 -0.000147 0.000009 -0.000035 -0.000029 3 C 1 S 0.000291 0.000689 -0.000109 0.000313 0.000555 4 C 1 X 0.000003 0.000040 -0.000016 -0.000011 -0.000014 5 C 1 Y 0.000000 -0.000079 -0.000014 -0.000005 0.000007 6 C 1 Z 0.000004 -0.000035 0.000002 -0.000004 -0.000018 7 C 1 X -0.000590 -0.001812 -0.000094 -0.000010 -0.000371 8 C 1 Y 0.000174 0.000387 0.000219 0.000211 0.000078 9 C 1 Z 0.000007 0.000352 -0.000015 0.000027 0.000101 10 C 1 XX 0.000043 -0.000001 0.000007 0.000002 0.000014 11 C 1 YY -0.000004 0.000043 -0.000001 0.000007 -0.000008 12 C 1 ZZ -0.000039 -0.000042 -0.000006 -0.000009 -0.000007 13 C 1 XY -0.000014 -0.000035 -0.000009 0.000007 -0.000000 14 C 1 XZ -0.000000 -0.000019 -0.000003 -0.000002 -0.000005 15 C 1 YZ 0.000001 0.000063 0.000006 0.000001 0.000014 16 C 2 S -0.000054 -0.000153 0.000019 -0.000003 0.000010 17 C 2 S -0.000083 -0.000212 0.000027 -0.000002 -0.000009 18 C 2 S 0.001739 -0.000320 -0.001352 -0.000261 -0.000772 19 C 2 X -0.000009 -0.000027 0.000013 0.000008 0.000017 20 C 2 Y 0.000017 -0.000099 -0.000032 -0.000006 -0.000020 21 C 2 Z 0.000008 -0.000010 -0.000002 -0.000002 -0.000024 22 C 2 X -0.000328 -0.002152 0.000337 -0.000207 -0.000414 23 C 2 Y 0.001225 0.000603 -0.000540 -0.000189 -0.000094 24 C 2 Z 0.000190 0.000042 -0.000005 -0.000005 0.000034 25 C 2 XX -0.000052 0.000074 -0.000015 0.000002 -0.000015 26 C 2 YY 0.000045 0.000014 0.000009 -0.000003 0.000013 27 C 2 ZZ 0.000008 -0.000088 0.000006 0.000001 0.000002 28 C 2 XY 0.000045 -0.000029 0.000018 -0.000000 0.000036 29 C 2 XZ 0.000003 0.000023 0.000013 0.000004 0.000026 30 C 2 YZ 0.000019 0.000047 -0.000002 0.000000 -0.000017 31 C 3 S -0.000146 0.013134 -0.000056 -0.000043 -0.001896 32 C 3 S -0.000207 0.000039 0.000085 -0.000055 -0.000208 33 C 3 S 0.004296 0.003069 -0.000179 0.000480 -0.000109 34 C 3 X 0.000032 0.000132 0.000019 0.000007 -0.000007 35 C 3 Y -0.000040 0.000104 0.000041 0.000001 -0.000065 36 C 3 Z 0.000014 0.000045 -0.000002 -0.000000 -0.000002 37 C 3 X -0.002871 0.005305 -0.001131 0.000379 0.000227 38 C 3 Y 0.004098 0.003192 -0.002298 -0.000075 -0.000748 39 C 3 Z -0.000274 0.000600 -0.000279 0.000013 -0.000013 40 C 3 XX 0.000035 -0.000086 0.000022 -0.000000 -0.000056 41 C 3 YY 0.000011 0.000068 -0.000024 0.000019 0.000087 42 C 3 ZZ -0.000046 0.000018 0.000002 -0.000019 -0.000032 43 C 3 XY -0.000092 -0.000044 -0.000041 0.000023 0.000051 44 C 3 XZ -0.000001 -0.000023 -0.000019 0.000003 0.000007 45 C 3 YZ -0.000014 0.000009 -0.000041 -0.000004 -0.000124 46 C 4 S -0.000053 1.002917 -0.001213 -0.000092 -0.016260 47 C 4 S -0.000107 0.005979 -0.000310 0.000006 -0.000140 48 C 4 S -0.000482 -0.018886 0.001596 0.000079 0.003782 49 C 4 X 0.000051 0.000105 0.000033 -0.000029 -0.000039 50 C 4 Y 0.000005 -0.000245 -0.000108 0.000007 0.000210 51 C 4 Z -0.000002 -0.000200 -0.000070 -0.000006 -0.000140 52 C 4 X 0.000068 0.002312 -0.001815 0.000381 -0.000134 53 C 4 Y -0.000710 0.001862 0.000196 0.000415 0.001734 54 C 4 Z 0.000352 0.001183 -0.000314 0.000121 -0.000681 55 C 4 XX 0.000022 -0.000182 0.000078 -0.000019 0.000045 56 C 4 YY 0.000014 -0.000021 0.000005 0.000035 -0.000055 57 C 4 ZZ -0.000037 0.000203 -0.000083 -0.000016 0.000010 58 C 4 XY 0.000025 -0.000000 -0.000045 -0.000009 0.000026 59 C 4 XZ -0.000012 0.000021 0.000011 -0.000002 -0.000022 60 C 4 YZ 0.000020 -0.000054 -0.000070 -0.000004 0.000124 61 S 5 S -0.000008 -0.000042 -0.000012 0.000005 0.000002 62 S 5 S -0.000061 -0.000240 -0.000082 0.000033 0.000009 63 S 5 S -0.000071 -0.000233 -0.000093 0.000033 -0.000009 64 S 5 S 0.000169 0.002841 0.000562 -0.000244 -0.000170 65 S 5 X 0.000004 -0.000129 -0.000004 0.000001 0.000018 66 S 5 Y 0.000000 0.000100 0.000007 -0.000010 -0.000016 67 S 5 Z -0.000003 0.000041 0.000000 -0.000002 0.000001 68 S 5 X 0.000008 -0.000425 -0.000014 0.000004 0.000065 69 S 5 Y -0.000000 0.000329 0.000024 -0.000033 -0.000059 70 S 5 Z -0.000011 0.000131 0.000000 -0.000006 0.000001 71 S 5 X -0.000040 -0.001191 -0.000211 0.000096 0.000067 72 S 5 Y -0.000068 0.000150 0.000246 0.000100 -0.000215 73 S 5 Z -0.000035 0.000151 0.000171 -0.000005 0.000032 74 S 5 XX 0.000005 0.000050 -0.000005 0.000006 -0.000026 75 S 5 YY 0.000025 0.000065 0.000033 -0.000017 -0.000003 76 S 5 ZZ -0.000030 -0.000115 -0.000028 0.000011 0.000029 77 S 5 XY -0.000010 -0.000136 -0.000036 -0.000009 0.000046 78 S 5 XZ 0.000018 -0.000027 -0.000026 -0.000002 -0.000021 79 S 5 YZ -0.000007 0.000021 0.000031 -0.000005 -0.000039 80 S 5 XX -0.000001 0.000015 0.000000 -0.000000 0.000003 81 S 5 YY -0.000003 -0.000011 -0.000004 0.000001 -0.000001 82 S 5 ZZ 0.000004 -0.000004 0.000004 -0.000001 -0.000002 83 S 5 XY 0.000001 -0.000020 0.000004 0.000001 -0.000002 84 S 5 XZ -0.000002 -0.000012 0.000003 0.000001 0.000004 85 S 5 YZ 0.000001 0.000008 -0.000004 0.000000 0.000006 86 H 6 S -0.000046 -0.000121 0.000032 -0.000025 -0.000034 87 H 6 S 0.000195 -0.000321 0.000008 -0.000092 -0.000099 88 H 6 X 0.000034 0.000049 -0.000012 0.000003 0.000005 89 H 6 Y -0.000046 -0.000033 0.000007 0.000001 -0.000015 90 H 6 Z -0.000012 0.000014 -0.000000 0.000000 -0.000005 91 C 7 S -0.000052 0.000575 1.001539 0.001415 -0.019769 92 C 7 S -0.000087 -0.000274 0.004798 -0.000070 -0.000129 93 C 7 S -0.001043 0.000614 -0.013172 0.000909 0.004995 94 C 7 X -0.000001 -0.000008 -0.000092 -0.000030 0.000203 95 C 7 Y 0.000038 0.000049 0.000032 -0.000014 -0.000130 96 C 7 Z 0.000045 0.000006 -0.000031 -0.000028 -0.000053 97 C 7 X 0.000165 0.000351 0.001648 0.000468 0.004911 98 C 7 Y -0.000283 -0.000107 0.002012 -0.001439 -0.002245 99 C 7 Z -0.000391 -0.000090 -0.000100 0.000085 -0.000948 100 C 7 XX 0.000020 -0.000010 0.000211 0.000093 -0.000074 101 C 7 YY 0.000026 0.000067 -0.000005 -0.000023 0.000058 102 C 7 ZZ -0.000046 -0.000058 -0.000206 -0.000070 0.000016 103 C 7 XY 0.000051 -0.000091 0.000286 0.000050 0.000029 104 C 7 XZ -0.000007 -0.000002 -0.000098 0.000006 0.000032 105 C 7 YZ -0.000001 -0.000112 -0.000035 0.000003 -0.000023 106 C 8 S -0.000010 0.000091 -0.001470 1.001763 -0.000228 107 C 8 S -0.000018 -0.000007 -0.000022 0.003974 -0.000136 108 C 8 S 0.000000 -0.000013 -0.000087 -0.010995 -0.001343 109 C 8 X 0.000008 0.000004 0.000038 -0.000431 -0.000032 110 C 8 Y 0.000010 -0.000011 0.000006 0.000162 0.000122 111 C 8 Z 0.000000 0.000031 -0.000026 -0.000029 0.000032 112 C 8 X 0.000023 -0.000101 0.000255 0.000055 0.000309 113 C 8 Y -0.000277 -0.000043 -0.000594 0.001262 0.000654 114 C 8 Z -0.000023 -0.000102 0.000026 0.000215 -0.000112 115 C 8 XX -0.000003 -0.000009 -0.000005 -0.000300 0.000059 116 C 8 YY 0.000009 0.000013 0.000031 0.000548 -0.000026 117 C 8 ZZ -0.000006 -0.000004 -0.000026 -0.000248 -0.000033 118 C 8 XY -0.000009 0.000002 0.000058 0.000100 0.000040 119 C 8 XZ 0.000000 0.000023 0.000002 -0.000001 0.000034 120 C 8 YZ -0.000000 -0.000010 0.000010 0.000124 0.000052 121 C 9 S -0.000040 0.016109 0.020038 -0.000060 1.002915 122 C 9 S -0.000070 0.000059 0.000491 0.000036 0.006513 123 C 9 S 0.000352 0.002654 -0.000814 -0.001196 -0.021211 124 C 9 X 0.000021 -0.000018 -0.000214 -0.000029 -0.000171 125 C 9 Y 0.000011 -0.000171 0.000146 -0.000010 0.000144 126 C 9 Z -0.000019 0.000132 0.000058 0.000039 0.000203 127 C 9 X -0.000084 0.000586 -0.000211 0.000759 0.002099 128 C 9 Y -0.000461 -0.001671 -0.000103 -0.000056 -0.002244 129 C 9 Z 0.000383 0.000700 0.000868 -0.000478 -0.002039 130 C 9 XX -0.000010 0.000020 0.000036 -0.000057 -0.000143 131 C 9 YY 0.000013 -0.000049 -0.000078 0.000121 0.000010 132 C 9 ZZ -0.000004 0.000029 0.000042 -0.000063 0.000133 133 C 9 XY -0.000024 0.000048 0.000152 0.000036 0.000143 134 C 9 XZ 0.000001 -0.000013 0.000005 0.000022 0.000052 135 C 9 YZ -0.000022 0.000092 -0.000042 0.000015 -0.000026 136 C 10 S 0.000060 -0.000319 0.036765 0.000152 -0.006617 137 C 10 S 0.000058 -0.000238 -0.000095 0.000023 -0.000095 138 C 10 S -0.000953 0.001949 0.001837 -0.001065 -0.000969 139 C 10 X -0.000069 -0.000057 -0.000137 -0.000003 -0.000056 140 C 10 Y 0.000006 0.000024 -0.000080 -0.000029 -0.000031 141 C 10 Z -0.000022 -0.000042 0.000045 0.000022 0.000005 142 C 10 X 0.002504 0.000508 0.003748 -0.000885 -0.000256 143 C 10 Y 0.000911 -0.001286 0.003708 0.000640 0.003225 144 C 10 Z 0.000138 0.000071 -0.000743 -0.000002 0.000046 145 C 10 XX -0.000013 -0.000005 0.000008 -0.000024 0.000042 146 C 10 YY 0.000046 0.000069 -0.000247 -0.000005 -0.000002 147 C 10 ZZ -0.000033 -0.000064 0.000239 0.000029 -0.000040 148 C 10 XY -0.000170 0.000034 -0.000050 -0.000012 0.000021 149 C 10 XZ -0.000002 0.000007 0.000012 0.000010 -0.000054 150 C 10 YZ -0.000051 -0.000027 -0.000003 0.000005 0.000002 151 C 11 S 0.001846 0.000043 0.000361 -0.000039 -0.000999 152 C 11 S -0.000270 -0.000173 -0.000140 -0.000058 -0.000281 153 C 11 S 0.003938 0.000711 0.002205 0.000855 0.002952 154 C 11 X -0.000120 -0.000051 0.000010 0.000002 -0.000038 155 C 11 Y -0.000066 0.000014 0.000021 0.000006 -0.000040 156 C 11 Z -0.000021 -0.000010 0.000019 -0.000005 0.000042 157 C 11 X -0.010354 0.000801 -0.000351 0.000231 0.000718 158 C 11 Y -0.000615 -0.002936 0.002709 0.000534 0.002092 159 C 11 Z -0.000271 0.000025 0.000100 0.000072 -0.000097 160 C 11 XX 0.000138 0.000041 -0.000002 -0.000011 -0.000010 161 C 11 YY -0.000079 0.000039 0.000121 0.000032 0.000101 162 C 11 ZZ -0.000058 -0.000080 -0.000119 -0.000021 -0.000091 163 C 11 XY 0.000168 -0.000041 0.000018 -0.000005 -0.000066 164 C 11 XZ -0.000018 0.000049 -0.000024 -0.000002 0.000004 165 C 11 YZ 0.000030 0.000017 0.000011 0.000008 -0.000020 166 C 12 S 0.018490 -0.000064 -0.000162 0.000010 -0.000036 167 C 12 S -0.000076 -0.000118 -0.000218 0.000016 -0.000082 168 C 12 S 0.000146 0.000522 0.002041 -0.000544 -0.000202 169 C 12 X 0.000134 -0.000012 -0.000028 -0.000028 -0.000058 170 C 12 Y 0.000121 0.000001 -0.000030 -0.000016 -0.000030 171 C 12 Z 0.000044 0.000015 0.000001 0.000002 0.000002 172 C 12 X 0.000407 0.000352 0.000378 -0.000020 -0.000039 173 C 12 Y 0.000191 0.000198 -0.000763 0.000260 -0.000103 174 C 12 Z 0.000475 -0.000120 -0.000151 0.000011 0.000067 175 C 12 XX -0.000082 0.000016 -0.000019 0.000004 -0.000028 176 C 12 YY 0.000073 0.000013 0.000049 0.000005 0.000018 177 C 12 ZZ 0.000009 -0.000029 -0.000030 -0.000009 0.000010 178 C 12 XY -0.000077 -0.000011 -0.000056 -0.000042 -0.000079 179 C 12 XZ -0.000031 0.000002 0.000010 0.000011 -0.000022 180 C 12 YZ -0.000049 -0.000018 -0.000033 -0.000020 -0.000017 181 C 13 S -0.143720 -0.000038 0.000037 -0.000012 -0.000017 182 C 13 S -0.000996 -0.000073 0.000079 -0.000017 -0.000027 183 C 13 S 0.007439 0.000314 -0.000671 0.000341 0.000308 184 C 13 X 0.000290 -0.000005 0.000014 0.000009 0.000010 185 C 13 Y -0.000378 -0.000006 -0.000001 0.000014 0.000016 186 C 13 Z 0.000188 -0.000007 -0.000006 0.000002 0.000007 187 C 13 X 0.002145 0.000100 -0.000225 0.000000 0.000020 188 C 13 Y -0.001493 0.000010 -0.000141 0.000036 -0.000051 189 C 13 Z 0.000796 0.000104 -0.000113 0.000175 -0.000024 190 C 13 XX -0.000049 0.000016 0.000046 -0.000003 0.000011 191 C 13 YY 0.000042 -0.000009 -0.000012 0.000008 0.000009 192 C 13 ZZ 0.000007 -0.000007 -0.000034 -0.000005 -0.000020 193 C 13 XY -0.000108 -0.000009 0.000026 0.000009 0.000013 194 C 13 XZ 0.000027 -0.000000 -0.000011 0.000000 -0.000006 195 C 13 YZ -0.000062 -0.000002 -0.000007 0.000010 0.000016 196 C 14 S 0.992219 -0.000061 -0.000087 -0.000014 -0.000054 197 C 14 S 0.004849 -0.000102 -0.000146 -0.000027 -0.000100 198 C 14 S -0.019588 -0.000112 0.000847 0.000136 0.000722 199 C 14 X -0.000547 -0.000050 -0.000027 -0.000008 -0.000009 200 C 14 Y -0.001058 -0.000001 -0.000005 -0.000000 -0.000003 201 C 14 Z 0.000210 0.000008 -0.000006 0.000003 -0.000005 202 C 14 X -0.002805 -0.000016 0.000280 0.000181 0.000472 203 C 14 Y -0.005080 0.000147 0.000031 -0.000120 -0.000136 204 C 14 Z 0.000586 -0.000057 0.000053 -0.000049 0.000204 205 C 14 XX -0.000284 -0.000040 -0.000004 0.000002 0.000023 206 C 14 YY 0.000007 0.000037 0.000015 -0.000000 -0.000014 207 C 14 ZZ 0.000277 0.000003 -0.000010 -0.000002 -0.000010 208 C 14 XY -0.000024 0.000045 -0.000018 0.000001 -0.000001 209 C 14 XZ -0.000074 0.000018 -0.000007 -0.000000 -0.000011 210 C 14 YZ 0.000101 0.000035 -0.000009 0.000004 -0.000005 211 F 15 S 0.000049 -0.000002 0.000005 0.000000 0.000017 212 F 15 S 0.000096 -0.000003 0.000010 0.000001 0.000032 213 F 15 S -0.000314 0.000015 -0.000064 0.000021 -0.000099 214 F 15 X -0.000011 0.000005 0.000002 0.000001 0.000005 215 F 15 Y 0.000022 0.000006 -0.000002 0.000007 0.000005 216 F 15 Z -0.000014 -0.000004 -0.000004 -0.000003 -0.000001 217 F 15 X 0.000024 -0.000031 -0.000005 -0.000008 -0.000043 218 F 15 Y -0.000025 -0.000030 0.000023 -0.000040 -0.000019 219 F 15 Z 0.000101 0.000009 0.000038 -0.000008 0.000031 220 F 15 XX 0.000007 -0.000001 -0.000000 -0.000002 -0.000002 221 F 15 YY -0.000002 -0.000001 -0.000001 -0.000000 0.000003 222 F 15 ZZ -0.000004 0.000002 0.000001 0.000003 -0.000001 223 F 15 XY -0.000011 -0.000001 -0.000009 -0.000002 -0.000004 224 F 15 XZ -0.000005 0.000001 -0.000002 0.000001 0.000003 225 F 15 YZ -0.000013 0.000002 -0.000002 0.000003 0.000002 226 F 16 S -0.000037 0.000016 0.000023 0.000009 0.000010 227 F 16 S -0.000065 0.000028 0.000038 0.000016 0.000018 228 F 16 S 0.000176 -0.000137 -0.000154 -0.000082 -0.000066 229 F 16 X 0.000002 -0.000004 0.000002 -0.000008 -0.000002 230 F 16 Y 0.000008 0.000001 -0.000000 -0.000005 -0.000003 231 F 16 Z 0.000017 -0.000001 -0.000006 0.000001 -0.000002 232 F 16 X -0.000018 -0.000008 -0.000105 0.000005 -0.000037 233 F 16 Y -0.000064 0.000033 0.000114 0.000040 0.000051 234 F 16 Z -0.000117 -0.000020 -0.000002 -0.000023 -0.000015 235 F 16 XX 0.000015 0.000005 -0.000001 0.000003 0.000002 236 F 16 YY -0.000007 -0.000003 -0.000005 -0.000002 -0.000003 237 F 16 ZZ -0.000009 -0.000002 0.000007 -0.000001 0.000001 238 F 16 XY 0.000001 0.000001 0.000008 0.000004 0.000007 239 F 16 XZ -0.000008 -0.000002 -0.000004 -0.000000 -0.000001 240 F 16 YZ 0.000014 0.000001 0.000008 0.000003 0.000005 241 F 17 S -0.000015 0.000016 0.000000 0.000004 -0.000004 242 F 17 S 0.000192 0.000030 -0.000000 0.000006 -0.000008 243 F 17 S 0.000349 -0.000095 -0.000031 -0.000045 0.000005 244 F 17 X -0.000003 0.000005 -0.000007 -0.000000 -0.000001 245 F 17 Y 0.000195 0.000004 -0.000000 -0.000003 -0.000004 246 F 17 Z 0.000240 -0.000005 0.000002 0.000001 0.000007 247 F 17 X 0.000185 -0.000048 0.000029 -0.000007 -0.000002 248 F 17 Y 0.000081 -0.000067 -0.000009 0.000005 0.000028 249 F 17 Z -0.000496 -0.000011 -0.000024 -0.000016 -0.000041 250 F 17 XX 0.000063 0.000002 0.000005 0.000001 0.000004 251 F 17 YY -0.000026 -0.000004 -0.000000 0.000000 0.000002 252 F 17 ZZ -0.000037 0.000001 -0.000004 -0.000002 -0.000005 253 F 17 XY -0.000010 -0.000003 0.000001 -0.000001 0.000000 254 F 17 XZ -0.000016 -0.000002 0.000000 -0.000001 -0.000001 255 F 17 YZ -0.000147 -0.000007 0.000001 0.000000 0.000002 256 F 18 S -0.000039 0.000002 0.000017 0.000001 0.000021 257 F 18 S 0.000140 0.000003 0.000030 0.000002 0.000038 258 F 18 S 0.000600 -0.000000 -0.000124 0.000001 -0.000153 259 F 18 X 0.000064 0.000004 0.000001 0.000001 0.000001 260 F 18 Y 0.000058 0.000002 0.000001 -0.000001 -0.000002 261 F 18 Z -0.000303 -0.000002 0.000000 -0.000002 -0.000001 262 F 18 X 0.000061 -0.000035 -0.000022 -0.000008 -0.000030 263 F 18 Y 0.000309 -0.000013 -0.000023 0.000010 -0.000002 264 F 18 Z 0.000385 0.000001 0.000034 0.000009 0.000039 265 F 18 XX 0.000051 -0.000006 0.000003 0.000000 0.000003 266 F 18 YY 0.000082 0.000002 -0.000002 -0.000000 -0.000002 267 F 18 ZZ -0.000132 0.000004 -0.000001 -0.000000 -0.000001 268 F 18 XY -0.000020 -0.000001 -0.000002 0.000000 0.000000 269 F 18 XZ 0.000063 0.000003 0.000001 0.000001 0.000002 270 F 18 YZ 0.000067 0.000000 -0.000001 -0.000001 -0.000001 271 C 19 S -0.000013 -0.000005 -0.000035 0.009208 -0.000041 272 C 19 S -0.000022 -0.000003 -0.000071 -0.000112 -0.000117 273 C 19 S 0.000191 0.000052 0.000362 0.001063 0.000059 274 C 19 X -0.000002 0.000004 0.000016 0.000055 0.000010 275 C 19 Y -0.000004 0.000000 0.000005 0.000091 0.000028 276 C 19 Z -0.000001 -0.000005 0.000006 0.000015 -0.000004 277 C 19 X -0.000082 -0.000045 -0.000331 -0.000050 -0.000112 278 C 19 Y -0.000067 -0.000011 -0.000045 -0.000928 -0.000202 279 C 19 Z -0.000009 0.000096 -0.000096 -0.000155 0.000089 280 C 19 XX 0.000003 -0.000002 0.000027 -0.000146 0.000011 281 C 19 YY 0.000002 -0.000001 -0.000026 -0.000055 0.000006 282 C 19 ZZ -0.000005 0.000004 -0.000001 0.000200 -0.000017 283 C 19 XY 0.000007 -0.000001 0.000014 -0.000284 0.000020 284 C 19 XZ 0.000002 -0.000010 0.000010 -0.000043 0.000003 285 C 19 YZ 0.000001 0.000005 -0.000006 -0.000045 0.000018 286 H 20 S -0.000007 0.000008 0.000004 -0.000051 -0.000029 287 H 20 S 0.000024 0.000011 0.000140 -0.000238 0.000140 288 H 20 X 0.000001 -0.000001 0.000002 -0.000036 -0.000017 289 H 20 Y 0.000001 0.000003 0.000002 0.000052 -0.000013 290 H 20 Z 0.000000 -0.000008 0.000008 0.000009 -0.000015 291 H 21 S -0.000008 0.000016 -0.000053 -0.000127 0.000008 292 H 21 S 0.000008 0.000027 -0.000036 0.000443 0.000057 293 H 21 X 0.000000 0.000006 0.000010 -0.000060 0.000019 294 H 21 Y -0.000002 -0.000005 -0.000004 -0.000071 0.000015 295 H 21 Z 0.000000 -0.000002 -0.000004 0.000018 0.000019 296 C 22 S -0.000030 -0.000079 -0.000009 -0.000004 0.000005 297 C 22 S -0.000052 -0.000154 -0.000015 -0.000005 0.000010 298 C 22 S 0.000297 0.000911 0.000190 0.000054 0.000007 299 C 22 X 0.000004 -0.000003 -0.000009 0.000001 0.000002 300 C 22 Y -0.000005 -0.000017 0.000001 -0.000003 -0.000001 301 C 22 Z -0.000001 0.000008 0.000002 0.000001 0.000005 302 C 22 X -0.000008 0.000102 0.000041 -0.000021 0.000034 303 C 22 Y 0.000207 0.000694 0.000105 0.000027 0.000017 304 C 22 Z 0.000015 -0.000088 0.000013 -0.000010 -0.000072 305 C 22 XX -0.000004 -0.000035 -0.000005 0.000003 -0.000004 306 C 22 YY 0.000014 0.000054 0.000000 -0.000005 0.000006 307 C 22 ZZ -0.000011 -0.000019 0.000005 0.000002 -0.000002 308 C 22 XY 0.000001 0.000021 -0.000001 -0.000003 0.000010 309 C 22 XZ -0.000001 -0.000012 -0.000003 -0.000001 -0.000008 310 C 22 YZ 0.000003 0.000006 0.000002 -0.000001 0.000001 311 H 23 S -0.000013 -0.000021 0.000012 0.000002 -0.000004 312 H 23 S 0.000099 0.000271 0.000010 0.000013 0.000029 313 H 23 X -0.000003 0.000002 0.000005 0.000001 -0.000002 314 H 23 Y 0.000005 -0.000009 -0.000005 0.000003 -0.000001 315 H 23 Z 0.000000 0.000013 -0.000000 0.000001 0.000008 316 H 24 S -0.000010 -0.000027 -0.000015 -0.000000 0.000028 317 H 24 S 0.000005 0.000015 -0.000020 0.000009 0.000006 318 H 24 X -0.000004 -0.000023 -0.000005 0.000000 -0.000007 319 H 24 Y 0.000000 -0.000019 -0.000003 -0.000002 0.000000 320 H 24 Z -0.000002 -0.000001 0.000006 0.000000 0.000000 321 H 25 S -0.000009 -0.000086 -0.000025 -0.000006 -0.000010 322 H 25 S -0.000008 -0.000014 0.000015 0.000004 -0.000026 323 H 25 X -0.000002 -0.000016 -0.000006 0.000002 0.000001 324 H 25 Y -0.000003 0.000002 0.000001 -0.000001 0.000006 325 H 25 Z 0.000000 0.000000 -0.000004 -0.000000 -0.000000 326 C 26 S 0.000013 -0.000170 -0.000265 -0.000017 0.006104 327 C 26 S 0.000023 -0.000260 -0.000512 -0.000005 0.000129 328 C 26 S 0.000037 0.000500 0.001776 -0.000362 0.002477 329 C 26 X -0.000005 -0.000028 0.000120 -0.000005 -0.000006 330 C 26 Y 0.000004 0.000060 -0.000057 -0.000028 0.000049 331 C 26 Z 0.000006 -0.000097 -0.000038 -0.000012 0.000273 332 C 26 X 0.000133 0.000127 -0.001150 0.000075 -0.000153 333 C 26 Y 0.000038 -0.000303 0.000682 -0.000004 0.000255 334 C 26 Z -0.000020 0.000156 0.001078 0.000244 0.000740 335 C 26 XX -0.000002 -0.000097 0.000021 -0.000019 0.000117 336 C 26 YY 0.000002 0.000112 -0.000059 -0.000042 0.000084 337 C 26 ZZ 0.000001 -0.000015 0.000038 0.000061 -0.000201 338 C 26 XY 0.000007 -0.000038 -0.000086 -0.000029 0.000007 339 C 26 XZ 0.000015 -0.000004 -0.000139 -0.000017 -0.000042 340 C 26 YZ 0.000022 -0.000134 0.000106 0.000010 -0.000041 341 H 27 S 0.000020 -0.000060 -0.000225 0.000085 -0.000162 342 H 27 S 0.000074 -0.000187 -0.000192 0.000087 -0.000192 343 H 27 X -0.000022 -0.000014 0.000102 0.000033 -0.000019 344 H 27 Y 0.000004 0.000060 -0.000077 0.000021 -0.000022 345 H 27 Z 0.000016 -0.000071 -0.000053 -0.000006 0.000058 346 H 28 S 0.000030 -0.000064 -0.000264 -0.000050 -0.000121 347 H 28 S -0.000025 0.000282 -0.000075 0.000385 -0.000217 348 H 28 X -0.000005 -0.000022 0.000089 0.000008 0.000009 349 H 28 Y -0.000001 0.000056 -0.000044 -0.000054 0.000050 350 H 28 Z 0.000012 0.000016 -0.000016 0.000017 0.000091 351 H 29 S -0.000008 -0.000084 0.000028 0.000001 -0.000212 352 H 29 S -0.000076 -0.000300 0.000705 0.000026 -0.000065 353 H 29 X 0.000001 0.000004 0.000018 -0.000011 0.000037 354 H 29 Y -0.000005 0.000045 -0.000016 -0.000003 -0.000019 355 H 29 Z 0.000002 -0.000080 -0.000019 -0.000023 0.000017 356 C 30 S -0.000008 0.004646 -0.000149 0.000025 -0.000414 357 C 30 S -0.000015 -0.000002 -0.000158 0.000049 -0.000288 358 C 30 S -0.000084 0.002826 -0.000132 -0.000379 0.000397 359 C 30 X 0.000013 -0.000033 0.000042 -0.000004 0.000003 360 C 30 Y 0.000007 -0.000038 -0.000046 -0.000006 -0.000058 361 C 30 Z 0.000005 -0.000237 0.000084 0.000004 0.000116 362 C 30 X -0.000103 -0.000233 0.000308 -0.000109 0.000013 363 C 30 Y 0.000098 -0.000374 0.000164 0.000020 0.000311 364 C 30 Z 0.000018 -0.000929 -0.000500 0.000011 -0.000100 365 C 30 XX -0.000012 0.000113 0.000006 0.000004 -0.000116 366 C 30 YY -0.000004 0.000069 -0.000060 -0.000007 0.000127 367 C 30 ZZ 0.000016 -0.000181 0.000054 0.000003 -0.000011 368 C 30 XY -0.000018 -0.000047 -0.000006 0.000002 -0.000019 369 C 30 XZ -0.000020 0.000039 -0.000059 0.000013 0.000017 370 C 30 YZ -0.000014 -0.000047 0.000079 0.000029 -0.000155 371 H 31 S -0.000000 -0.000161 0.000147 0.000064 -0.000093 372 H 31 S 0.000058 -0.000216 0.000200 0.000055 0.000277 373 H 31 X 0.000000 0.000000 -0.000008 0.000006 -0.000001 374 H 31 Y -0.000005 -0.000047 0.000057 0.000019 -0.000069 375 H 31 Z 0.000001 -0.000080 -0.000012 -0.000014 -0.000003 376 H 32 S -0.000003 -0.000177 -0.000137 -0.000013 -0.000059 377 H 32 S -0.000104 -0.000170 0.000708 0.000007 -0.000226 378 H 32 X -0.000017 -0.000025 0.000022 0.000004 0.000004 379 H 32 Y -0.000002 0.000018 0.000014 -0.000018 -0.000057 380 H 32 Z -0.000005 -0.000052 -0.000060 0.000013 0.000080 381 H 33 S 0.000033 -0.000198 -0.000027 -0.000017 -0.000056 382 H 33 S 0.000046 0.000009 -0.000162 0.000171 -0.000289 383 H 33 X -0.000008 0.000008 0.000023 -0.000010 0.000011 384 H 33 Y -0.000018 0.000022 -0.000046 -0.000019 -0.000051 385 H 33 Z -0.000009 -0.000023 0.000052 0.000002 0.000077 386 H 34 S -0.000008 -0.000031 -0.000017 -0.000109 -0.000038 387 H 34 S -0.000003 -0.000030 0.000004 0.000467 -0.000012 388 H 34 X 0.000001 -0.000002 0.000017 -0.000053 0.000003 389 H 34 Y -0.000001 0.000002 -0.000010 -0.000066 0.000019 390 H 34 Z 0.000000 0.000003 0.000003 -0.000038 -0.000009 391 F 35 S 0.000034 0.000002 0.000001 0.000012 0.000008 392 F 35 S 0.000018 0.000002 0.000001 0.000022 0.000014 393 F 35 S -0.000362 -0.000023 -0.000001 -0.000086 -0.000053 394 F 35 X -0.000058 0.000001 -0.000004 0.000001 0.000000 395 F 35 Y -0.000003 -0.000004 -0.000001 0.000002 0.000003 396 F 35 Z 0.000018 0.000003 0.000001 0.000002 0.000000 397 F 35 X -0.000149 -0.000026 0.000003 -0.000023 -0.000020 398 F 35 Y 0.000116 0.000018 0.000006 -0.000012 -0.000016 399 F 35 Z -0.000065 -0.000007 0.000013 -0.000010 0.000013 400 F 35 XX 0.000015 -0.000003 -0.000003 -0.000001 -0.000001 401 F 35 YY -0.000005 0.000002 0.000003 0.000000 0.000002 402 F 35 ZZ -0.000010 0.000001 -0.000000 0.000000 -0.000001 403 F 35 XY -0.000015 0.000001 -0.000000 -0.000000 -0.000002 404 F 35 XZ -0.000015 0.000001 0.000004 -0.000001 0.000002 405 F 35 YZ -0.000017 0.000001 -0.000002 0.000000 -0.000000 406 F 36 S -0.000013 0.000004 -0.000010 -0.000005 0.000004 407 F 36 S -0.000072 0.000007 -0.000017 -0.000009 0.000008 408 F 36 S -0.000284 -0.000019 0.000084 0.000040 -0.000035 409 F 36 X -0.000018 -0.000001 -0.000002 0.000002 -0.000004 410 F 36 Y 0.000049 0.000002 -0.000001 0.000001 0.000001 411 F 36 Z -0.000075 0.000004 0.000002 0.000002 0.000002 412 F 36 X -0.000011 -0.000007 0.000025 -0.000004 0.000018 413 F 36 Y -0.000091 -0.000007 -0.000001 -0.000007 -0.000003 414 F 36 Z -0.000052 -0.000022 0.000041 -0.000002 -0.000008 415 F 36 XX -0.000014 0.000002 -0.000001 -0.000000 -0.000001 416 F 36 YY 0.000009 -0.000002 -0.000004 0.000001 -0.000001 417 F 36 ZZ 0.000005 -0.000000 0.000005 -0.000000 0.000002 418 F 36 XY -0.000037 -0.000000 -0.000001 -0.000000 -0.000001 419 F 36 XZ 0.000008 -0.000001 0.000001 0.000001 0.000001 420 F 36 YZ -0.000027 -0.000001 -0.000002 0.000000 0.000000 421 C 37 S -0.000024 -0.000010 0.000014 0.020156 0.013055 422 C 37 S -0.000041 -0.000039 0.000019 -0.000401 -0.000019 423 C 37 S 0.000016 -0.000291 -0.000208 0.003684 0.005083 424 C 37 X 0.000006 0.000028 0.000012 0.000024 -0.000128 425 C 37 Y -0.000003 0.000059 0.000015 -0.000041 -0.000174 426 C 37 Z -0.000011 0.000002 -0.000026 0.000004 -0.000031 427 C 37 X -0.000101 0.000045 -0.000030 -0.001100 -0.002612 428 C 37 Y -0.000180 0.000302 -0.000352 0.002375 -0.000891 429 C 37 Z -0.000081 -0.000039 -0.000079 0.000362 -0.000070 430 C 37 XX 0.000005 -0.000020 0.000163 -0.000302 -0.000046 431 C 37 YY -0.000002 0.000012 -0.000090 0.000134 0.000057 432 C 37 ZZ -0.000003 0.000009 -0.000074 0.000168 -0.000011 433 C 37 XY 0.000014 -0.000025 -0.000019 0.000136 -0.000218 434 C 37 XZ 0.000016 0.000051 -0.000017 -0.000022 -0.000082 435 C 37 YZ 0.000005 -0.000075 -0.000000 -0.000025 -0.000039 436 S 38 S -0.000006 -0.000007 -0.000026 -0.000042 -0.000031 437 S 38 S -0.000042 -0.000050 -0.000134 -0.000246 -0.000233 438 S 38 S -0.000049 -0.000062 -0.000198 -0.000301 -0.000290 439 S 38 S 0.000339 0.000076 0.001382 0.002595 0.000913 440 S 38 X -0.000005 0.000002 -0.000012 0.000081 -0.000013 441 S 38 Y -0.000009 0.000010 -0.000046 -0.000020 0.000037 442 S 38 Z 0.000004 0.000004 0.000002 0.000001 0.000008 443 S 38 X -0.000016 0.000009 -0.000048 0.000231 -0.000045 444 S 38 Y -0.000028 0.000029 -0.000108 -0.000059 0.000119 445 S 38 Z 0.000016 0.000018 0.000005 -0.000002 0.000029 446 S 38 X 0.000071 -0.000096 0.000050 0.000896 -0.000280 447 S 38 Y -0.000114 -0.000090 -0.000613 -0.000572 -0.000425 448 S 38 Z 0.000027 -0.000005 -0.000046 -0.000010 0.000043 449 S 38 XX -0.000006 0.000008 0.000096 -0.000123 0.000086 450 S 38 YY 0.000018 -0.000003 -0.000238 0.000053 -0.000022 451 S 38 ZZ -0.000012 -0.000005 0.000143 0.000071 -0.000064 452 S 38 XY 0.000005 0.000007 0.000094 0.000062 0.000120 453 S 38 XZ 0.000004 -0.000007 0.000025 -0.000010 -0.000021 454 S 38 YZ -0.000021 -0.000006 0.000000 -0.000002 0.000002 455 S 38 XX 0.000000 -0.000001 -0.000027 0.000053 -0.000010 456 S 38 YY -0.000002 -0.000001 0.000059 -0.000024 -0.000002 457 S 38 ZZ 0.000001 0.000001 -0.000032 -0.000028 0.000012 458 S 38 XY -0.000000 -0.000001 -0.000007 -0.000013 -0.000012 459 S 38 XZ -0.000001 0.000001 -0.000003 0.000003 0.000004 460 S 38 YZ 0.000003 0.000001 0.000001 0.000001 -0.000002 461 H 39 S 0.000001 0.000017 -0.000075 0.000204 -0.000068 462 H 39 S 0.000034 0.000000 -0.000043 0.000413 0.000498 463 H 39 X 0.000001 0.000001 0.000057 -0.000168 0.000074 464 H 39 Y 0.000010 0.000021 -0.000024 -0.000038 0.000113 465 H 39 Z 0.000003 -0.000016 0.000004 -0.000007 0.000015 16 17 18 19 20 -11.2855 -11.2849 -11.2823 -11.2778 -11.2671 A A A A A 1 C 1 S 1.001446 -0.000208 -0.004214 0.000354 -0.034787 2 C 1 S 0.004278 -0.000007 -0.000133 0.000011 -0.000347 3 C 1 S -0.010750 -0.000137 0.000566 -0.000803 0.003695 4 C 1 X 0.000046 -0.000004 0.000040 0.000020 0.000087 5 C 1 Y 0.000318 -0.000003 0.000009 0.000000 -0.000018 6 C 1 Z 0.000035 -0.000005 0.000018 -0.000007 0.000002 7 C 1 X 0.001313 0.000034 -0.000547 0.000401 -0.002150 8 C 1 Y -0.000738 0.000108 -0.000127 -0.000002 0.000511 9 C 1 Z -0.000198 0.000032 -0.000034 -0.000024 0.000093 10 C 1 XX 0.000255 -0.000001 -0.000000 -0.000018 -0.000209 11 C 1 YY -0.000031 0.000007 0.000062 0.000014 -0.000135 12 C 1 ZZ -0.000224 -0.000006 -0.000061 0.000004 0.000343 13 C 1 XY -0.000416 -0.000007 -0.000062 -0.000010 0.000152 14 C 1 XZ -0.000046 -0.000002 -0.000012 0.000009 0.000059 15 C 1 YZ 0.000041 0.000005 0.000020 -0.000007 -0.000036 16 C 2 S 0.034246 0.000330 0.030428 -0.007068 1.001244 17 C 2 S -0.000318 -0.000034 -0.000098 -0.000118 0.004795 18 C 2 S 0.003206 -0.000203 0.000359 0.002342 -0.012491 19 C 2 X -0.000090 0.000008 0.000015 -0.000006 0.000189 20 C 2 Y 0.000009 -0.000003 -0.000110 0.000053 0.000129 21 C 2 Z 0.000027 0.000002 -0.000005 0.000016 -0.000024 22 C 2 X 0.002324 0.000277 -0.000801 0.000832 -0.002388 23 C 2 Y -0.000458 -0.000036 0.000836 0.000907 -0.002228 24 C 2 Z -0.000110 -0.000032 0.000137 0.000002 0.000053 25 C 2 XX -0.000179 -0.000009 0.000108 -0.000001 0.000287 26 C 2 YY -0.000038 0.000026 -0.000393 0.000168 0.000225 27 C 2 ZZ 0.000218 -0.000017 0.000285 -0.000167 -0.000512 28 C 2 XY -0.000214 0.000016 -0.000115 0.000040 0.000314 29 C 2 XZ 0.000014 0.000004 -0.000024 0.000006 -0.000028 30 C 2 YZ 0.000007 -0.000004 -0.000024 0.000024 0.000037 31 C 3 S 0.003049 0.013450 0.991153 -0.146339 -0.031514 32 C 3 S -0.000016 0.000178 0.005134 -0.000948 -0.000061 33 C 3 S -0.000388 -0.001303 -0.012996 0.004009 -0.001072 34 C 3 X -0.000014 -0.000015 -0.000017 0.000220 -0.000004 35 C 3 Y 0.000037 0.000002 0.000282 -0.000131 0.000049 36 C 3 Z 0.000018 -0.000021 0.000075 -0.000017 0.000008 37 C 3 X -0.000265 -0.001379 0.002334 -0.003971 0.003907 38 C 3 Y -0.000567 -0.001430 -0.001848 0.002664 -0.003988 39 C 3 Z -0.000305 -0.000078 -0.000141 -0.000005 -0.000198 40 C 3 XX 0.000043 0.000074 0.000113 -0.000194 -0.000174 41 C 3 YY 0.000010 -0.000031 0.000226 -0.000167 -0.000258 42 C 3 ZZ -0.000053 -0.000043 -0.000339 0.000361 0.000433 43 C 3 XY -0.000120 -0.000048 -0.000467 0.000139 0.000305 44 C 3 XZ -0.000054 0.000002 0.000041 -0.000065 -0.000020 45 C 3 YZ -0.000012 -0.000023 0.000052 -0.000008 -0.000036 46 C 4 S 0.000250 -0.000221 -0.012926 0.001709 0.000406 47 C 4 S -0.000040 -0.000277 0.000430 -0.000125 -0.000073 48 C 4 S -0.000305 0.001984 -0.000995 -0.000057 -0.000439 49 C 4 X -0.000023 0.000043 -0.000203 0.000005 -0.000002 50 C 4 Y 0.000036 -0.000042 -0.000205 -0.000009 -0.000000 51 C 4 Z -0.000041 -0.000045 -0.000055 -0.000002 -0.000052 52 C 4 X -0.000558 -0.001316 0.000058 -0.000105 -0.000393 53 C 4 Y -0.000659 -0.000039 0.000085 -0.001361 0.000370 54 C 4 Z 0.000407 -0.000791 -0.000664 -0.000399 0.000341 55 C 4 XX 0.000012 0.000063 0.000013 0.000115 0.000083 56 C 4 YY 0.000047 0.000021 -0.000063 0.000031 0.000014 57 C 4 ZZ -0.000059 -0.000084 0.000050 -0.000146 -0.000097 58 C 4 XY 0.000066 0.000042 -0.000149 0.000103 0.000032 59 C 4 XZ 0.000007 0.000008 -0.000031 0.000025 0.000024 60 C 4 YZ 0.000014 -0.000028 0.000002 0.000061 0.000014 61 S 5 S -0.000036 -0.000004 -0.000009 -0.000005 -0.000013 62 S 5 S -0.000205 -0.000028 -0.000064 -0.000035 -0.000097 63 S 5 S -0.000265 -0.000031 -0.000072 -0.000042 -0.000111 64 S 5 S 0.002071 0.000185 0.000255 -0.000113 0.000393 65 S 5 X -0.000040 0.000003 0.000003 0.000009 0.000008 66 S 5 Y -0.000064 -0.000000 0.000001 -0.000012 0.000015 67 S 5 Z 0.000005 0.000005 0.000009 -0.000003 0.000007 68 S 5 X -0.000109 0.000007 0.000001 0.000021 0.000015 69 S 5 Y -0.000176 0.000002 -0.000008 -0.000036 0.000041 70 S 5 Z 0.000015 0.000016 0.000032 -0.000012 0.000029 71 S 5 X -0.000809 -0.000058 -0.000090 0.000017 -0.000045 72 S 5 Y -0.000561 0.000150 -0.000131 0.000103 -0.000122 73 S 5 Z -0.000014 0.000049 -0.000001 -0.000034 -0.000020 74 S 5 XX -0.000021 -0.000010 0.000067 0.000000 0.000016 75 S 5 YY -0.000065 0.000026 -0.000003 0.000017 0.000061 76 S 5 ZZ 0.000086 -0.000016 -0.000064 -0.000018 -0.000077 77 S 5 XY -0.000104 -0.000010 0.000025 0.000011 0.000018 78 S 5 XZ 0.000031 -0.000011 -0.000018 0.000019 -0.000002 79 S 5 YZ -0.000001 0.000017 0.000003 -0.000003 0.000001 80 S 5 XX 0.000002 0.000001 -0.000010 -0.000001 -0.000004 81 S 5 YY 0.000026 -0.000003 0.000000 -0.000002 -0.000008 82 S 5 ZZ -0.000028 0.000003 0.000010 0.000003 0.000012 83 S 5 XY 0.000042 0.000001 -0.000004 -0.000000 -0.000005 84 S 5 XZ -0.000004 0.000001 0.000002 -0.000002 0.000000 85 S 5 YZ -0.000001 -0.000002 -0.000000 0.000001 0.000000 86 H 6 S 0.000132 0.000006 0.000078 -0.000047 -0.000552 87 H 6 S 0.000339 0.000020 0.000084 0.000264 0.000459 88 H 6 X 0.000038 -0.000009 0.000163 -0.000045 -0.000336 89 H 6 Y 0.000159 -0.000018 0.000031 -0.000069 -0.000391 90 H 6 Z 0.000013 -0.000000 -0.000012 0.000006 -0.000028 91 C 7 S 0.000046 -0.037447 0.000930 0.001884 -0.000030 92 C 7 S 0.000050 -0.000380 0.000154 0.000075 -0.000048 93 C 7 S -0.000529 0.002872 -0.001800 -0.000604 0.001213 94 C 7 X 0.000003 0.000222 0.000001 -0.000043 -0.000002 95 C 7 Y -0.000005 0.000149 -0.000016 -0.000025 -0.000018 96 C 7 Z 0.000006 0.000011 0.000014 0.000052 0.000013 97 C 7 X -0.000209 -0.002195 -0.000536 -0.001786 -0.000399 98 C 7 Y 0.000556 -0.001361 0.002055 0.000753 -0.000198 99 C 7 Z 0.000020 0.000234 0.000220 0.000130 0.000112 100 C 7 XX -0.000013 -0.000179 0.000041 0.000090 0.000014 101 C 7 YY -0.000009 -0.000100 -0.000039 0.000006 -0.000001 102 C 7 ZZ 0.000021 0.000279 -0.000001 -0.000096 -0.000013 103 C 7 XY 0.000008 -0.000082 0.000038 0.000099 0.000017 104 C 7 XZ 0.000007 0.000101 0.000026 -0.000053 -0.000006 105 C 7 YZ -0.000005 0.000019 -0.000047 -0.000020 -0.000007 106 C 8 S -0.000016 -0.000117 -0.000016 -0.000029 -0.000014 107 C 8 S -0.000051 -0.000055 -0.000048 -0.000066 -0.000028 108 C 8 S 0.000779 0.000628 0.000339 0.000753 0.000183 109 C 8 X -0.000002 0.000010 -0.000016 0.000016 0.000006 110 C 8 Y -0.000018 -0.000000 0.000009 -0.000003 -0.000000 111 C 8 Z 0.000004 0.000007 0.000000 0.000003 0.000006 112 C 8 X 0.000311 -0.000012 0.000263 -0.000066 -0.000061 113 C 8 Y -0.000437 -0.000766 -0.000119 -0.000718 -0.000237 114 C 8 Z -0.000072 -0.000094 0.000033 -0.000103 -0.000047 115 C 8 XX -0.000008 0.000011 0.000009 -0.000000 0.000001 116 C 8 YY 0.000028 0.000021 -0.000000 0.000023 0.000012 117 C 8 ZZ -0.000021 -0.000032 -0.000008 -0.000023 -0.000013 118 C 8 XY -0.000018 -0.000007 -0.000017 -0.000008 -0.000000 119 C 8 XZ 0.000000 -0.000005 0.000011 -0.000002 0.000001 120 C 8 YZ 0.000006 0.000001 0.000003 0.000010 0.000003 121 C 9 S -0.000428 0.005890 0.001404 0.000110 -0.000079 122 C 9 S -0.000083 -0.000041 -0.000261 -0.000207 -0.000050 123 C 9 S 0.000890 -0.000385 0.000564 0.001916 0.000271 124 C 9 X -0.000000 -0.000007 0.000060 0.000033 0.000004 125 C 9 Y -0.000007 0.000047 0.000138 0.000005 0.000016 126 C 9 Z 0.000007 0.000016 0.000067 0.000006 0.000015 127 C 9 X -0.000429 -0.000271 -0.002443 -0.000844 -0.000064 128 C 9 Y -0.000413 0.000902 -0.001375 0.000331 -0.000436 129 C 9 Z 0.000152 0.000193 0.000234 0.001080 -0.000335 130 C 9 XX -0.000003 0.000138 0.000055 0.000026 -0.000012 131 C 9 YY 0.000022 -0.000000 0.000019 0.000020 0.000041 132 C 9 ZZ -0.000020 -0.000138 -0.000075 -0.000046 -0.000029 133 C 9 XY -0.000034 -0.000040 0.000019 -0.000035 0.000005 134 C 9 XZ -0.000010 -0.000056 -0.000028 -0.000016 0.000002 135 C 9 YZ -0.000012 0.000049 -0.000095 -0.000021 -0.000007 136 C 10 S 0.000100 0.999483 -0.022868 -0.062531 -0.000117 137 C 10 S -0.000050 0.004970 -0.000336 -0.000375 -0.000031 138 C 10 S 0.000806 -0.012049 0.003702 0.002584 0.000175 139 C 10 X 0.000002 -0.000122 -0.000001 0.000006 0.000012 140 C 10 Y 0.000008 0.000041 0.000013 -0.000004 -0.000001 141 C 10 Z -0.000005 -0.000004 -0.000020 0.000002 0.000003 142 C 10 X 0.000213 -0.001958 0.000629 0.001058 -0.001327 143 C 10 Y -0.000494 0.001443 -0.002041 -0.003139 -0.000763 144 C 10 Z -0.000082 0.000245 -0.000186 -0.000083 0.000033 145 C 10 XX 0.000006 0.000445 0.000063 -0.000057 -0.000012 146 C 10 YY 0.000019 -0.000080 0.000032 -0.000262 0.000015 147 C 10 ZZ -0.000025 -0.000365 -0.000095 0.000319 -0.000003 148 C 10 XY -0.000000 0.000319 -0.000073 -0.000226 0.000014 149 C 10 XZ -0.000003 -0.000133 0.000028 0.000048 0.000019 150 C 10 YZ 0.000010 -0.000066 0.000003 -0.000024 0.000011 151 C 11 S 0.000365 0.064858 0.144711 0.989775 0.002408 152 C 11 S 0.000015 0.000135 0.000382 0.004996 -0.000084 153 C 11 S -0.000641 0.003077 0.001687 -0.013956 0.003754 154 C 11 X -0.000018 -0.000019 -0.000201 -0.000086 0.000070 155 C 11 Y 0.000023 0.000020 0.000087 0.000002 -0.000010 156 C 11 Z -0.000023 -0.000007 -0.000035 0.000036 0.000015 157 C 11 X 0.000238 0.000583 0.003613 -0.003025 0.004024 158 C 11 Y -0.000392 0.003023 -0.003437 -0.001188 -0.001518 159 C 11 Z 0.000172 -0.000146 0.000399 -0.000291 0.000288 160 C 11 XX -0.000014 -0.000011 -0.000166 0.000480 0.000228 161 C 11 YY -0.000009 -0.000209 -0.000072 -0.000073 -0.000063 162 C 11 ZZ 0.000023 0.000220 0.000238 -0.000407 -0.000165 163 C 11 XY -0.000008 0.000191 0.000021 -0.000248 -0.000072 164 C 11 XZ -0.000003 0.000044 0.000002 0.000019 0.000062 165 C 11 YZ 0.000001 0.000017 -0.000015 0.000003 -0.000014 166 C 12 S 0.000004 -0.002169 -0.000002 0.000055 -0.000008 167 C 12 S 0.000007 0.000163 -0.000093 -0.000179 -0.000017 168 C 12 S -0.000053 -0.000284 0.000374 0.001155 -0.000538 169 C 12 X -0.000000 0.000021 -0.000028 -0.000004 -0.000019 170 C 12 Y 0.000003 0.000059 0.000005 -0.000004 0.000006 171 C 12 Z 0.000002 -0.000027 0.000005 -0.000031 -0.000002 172 C 12 X 0.000051 -0.000518 0.000162 0.000514 -0.000103 173 C 12 Y 0.000137 0.000176 0.000098 0.000051 0.000035 174 C 12 Z 0.000038 0.000542 0.000108 0.000488 0.000182 175 C 12 XX -0.000001 -0.000293 -0.000017 0.000035 0.000010 176 C 12 YY 0.000003 0.000010 0.000041 0.000025 0.000009 177 C 12 ZZ -0.000001 0.000284 -0.000024 -0.000060 -0.000019 178 C 12 XY 0.000001 0.000300 -0.000009 -0.000016 0.000004 179 C 12 XZ 0.000002 0.000044 0.000015 -0.000040 -0.000001 180 C 12 YZ -0.000006 -0.000052 -0.000012 -0.000013 0.000000 181 C 13 S -0.000040 -0.000098 -0.000045 0.000035 -0.000018 182 C 13 S -0.000070 -0.000252 -0.000078 0.000000 -0.000034 183 C 13 S 0.000542 0.001191 -0.000004 -0.000216 -0.000146 184 C 13 X 0.000004 -0.000019 -0.000009 -0.000007 -0.000009 185 C 13 Y -0.000008 -0.000026 0.000008 0.000010 0.000014 186 C 13 Z 0.000001 0.000045 0.000002 0.000030 0.000004 187 C 13 X 0.000136 0.000825 0.000181 0.000108 0.000103 188 C 13 Y -0.000101 -0.000077 0.000176 0.000387 0.000245 189 C 13 Z 0.000085 -0.000829 -0.000144 -0.000562 -0.000144 190 C 13 XX 0.000005 0.000073 0.000057 0.000051 0.000028 191 C 13 YY 0.000004 -0.000104 -0.000033 -0.000066 -0.000018 192 C 13 ZZ -0.000009 0.000031 -0.000024 0.000015 -0.000010 193 C 13 XY -0.000014 0.000036 -0.000014 -0.000001 -0.000001 194 C 13 XZ 0.000003 0.000012 -0.000007 -0.000003 -0.000002 195 C 13 YZ -0.000011 -0.000014 0.000005 -0.000011 0.000001 196 C 14 S -0.000008 -0.000139 -0.000350 -0.002103 -0.000052 197 C 14 S -0.000017 -0.000024 -0.000121 0.000107 -0.000109 198 C 14 S 0.000021 0.000162 0.001218 0.000100 0.001483 199 C 14 X -0.000013 0.000003 0.000012 0.000019 -0.000009 200 C 14 Y 0.000015 -0.000001 0.000022 -0.000037 -0.000012 201 C 14 Z 0.000002 -0.000019 -0.000005 -0.000014 0.000009 202 C 14 X 0.000288 0.000272 -0.000004 -0.000616 0.000043 203 C 14 Y -0.000198 -0.000464 0.000753 -0.000186 0.000640 204 C 14 Z -0.000001 0.000631 0.000002 0.000122 -0.000051 205 C 14 XX -0.000010 0.000007 -0.000048 -0.000209 -0.000072 206 C 14 YY -0.000002 0.000031 0.000045 -0.000072 0.000026 207 C 14 ZZ 0.000013 -0.000039 0.000003 0.000281 0.000045 208 C 14 XY 0.000050 -0.000024 0.000048 -0.000346 0.000010 209 C 14 XZ -0.000013 -0.000011 -0.000030 -0.000031 -0.000006 210 C 14 YZ 0.000016 0.000049 0.000006 -0.000015 0.000012 211 F 15 S 0.000001 -0.000041 0.000010 0.000055 0.000009 212 F 15 S 0.000002 -0.000097 0.000019 0.000102 0.000017 213 F 15 S -0.000002 -0.000072 -0.000072 -0.000386 -0.000059 214 F 15 X -0.000000 -0.000093 0.000003 0.000015 0.000002 215 F 15 Y 0.000002 0.000044 0.000004 0.000020 0.000001 216 F 15 Z -0.000001 0.000055 -0.000003 -0.000000 0.000001 217 F 15 X 0.000006 0.000227 -0.000015 -0.000100 -0.000019 218 F 15 Y -0.000013 -0.000133 -0.000013 -0.000033 0.000004 219 F 15 Z -0.000000 -0.000024 0.000013 0.000066 -0.000003 220 F 15 XX 0.000000 0.000028 -0.000001 -0.000001 -0.000003 221 F 15 YY -0.000001 -0.000007 -0.000003 -0.000004 -0.000000 222 F 15 ZZ 0.000000 -0.000020 0.000004 0.000005 0.000003 223 F 15 XY -0.000000 -0.000012 0.000002 0.000007 0.000001 224 F 15 XZ -0.000000 0.000001 0.000000 -0.000001 -0.000000 225 F 15 YZ 0.000000 -0.000004 0.000001 0.000001 -0.000001 226 F 16 S -0.000000 -0.000034 0.000004 -0.000013 -0.000008 227 F 16 S -0.000000 -0.000074 0.000006 -0.000023 -0.000014 228 F 16 S -0.000008 0.000115 -0.000034 0.000069 0.000072 229 F 16 X -0.000001 -0.000064 -0.000006 -0.000008 -0.000002 230 F 16 Y 0.000002 0.000034 -0.000001 -0.000001 -0.000003 231 F 16 Z 0.000002 0.000018 -0.000001 0.000010 -0.000001 232 F 16 X 0.000001 0.000154 0.000030 0.000064 0.000020 233 F 16 Y -0.000010 -0.000107 0.000025 -0.000017 -0.000008 234 F 16 Z -0.000016 -0.000054 -0.000026 -0.000081 0.000003 235 F 16 XX 0.000001 0.000006 0.000007 0.000010 0.000001 236 F 16 YY 0.000000 -0.000005 -0.000003 0.000002 0.000001 237 F 16 ZZ -0.000001 -0.000001 -0.000004 -0.000012 -0.000001 238 F 16 XY 0.000000 -0.000003 -0.000001 -0.000005 -0.000000 239 F 16 XZ -0.000000 -0.000011 -0.000001 -0.000003 -0.000000 240 F 16 YZ 0.000001 -0.000019 0.000004 0.000006 0.000000 241 F 17 S 0.000016 -0.000012 0.000004 -0.000028 0.000012 242 F 17 S 0.000029 -0.000022 0.000005 -0.000066 0.000020 243 F 17 S -0.000113 0.000081 -0.000013 0.000017 -0.000056 244 F 17 X 0.000000 -0.000020 0.000000 -0.000068 0.000002 245 F 17 Y 0.000000 -0.000005 -0.000002 -0.000052 0.000001 246 F 17 Z -0.000000 0.000008 -0.000005 -0.000001 -0.000005 247 F 17 X -0.000023 0.000098 -0.000048 0.000169 -0.000032 248 F 17 Y -0.000021 0.000059 -0.000059 0.000105 -0.000050 249 F 17 Z -0.000030 -0.000069 -0.000001 -0.000008 -0.000002 250 F 17 XX 0.000003 0.000012 -0.000002 0.000009 0.000000 251 F 17 YY -0.000001 0.000002 -0.000000 -0.000014 -0.000005 252 F 17 ZZ -0.000002 -0.000015 0.000002 0.000006 0.000005 253 F 17 XY -0.000002 0.000009 0.000001 0.000006 0.000002 254 F 17 XZ -0.000001 -0.000001 -0.000004 -0.000010 -0.000003 255 F 17 YZ -0.000002 -0.000001 -0.000006 0.000012 -0.000006 256 F 18 S 0.000011 0.000031 0.000008 -0.000055 0.000005 257 F 18 S 0.000020 0.000057 0.000011 -0.000121 0.000009 258 F 18 S -0.000055 -0.000250 -0.000078 0.000031 -0.000050 259 F 18 X 0.000007 0.000010 -0.000008 -0.000090 0.000004 260 F 18 Y -0.000004 -0.000022 0.000004 -0.000067 0.000001 261 F 18 Z -0.000001 -0.000002 0.000003 0.000030 0.000004 262 F 18 X -0.000050 -0.000047 -0.000013 0.000225 -0.000014 263 F 18 Y 0.000022 0.000073 -0.000060 0.000155 -0.000042 264 F 18 Z 0.000023 0.000017 0.000031 0.000021 0.000027 265 F 18 XX -0.000000 0.000003 -0.000002 0.000022 0.000000 266 F 18 YY 0.000002 -0.000007 0.000004 -0.000008 0.000002 267 F 18 ZZ -0.000002 0.000005 -0.000002 -0.000013 -0.000002 268 F 18 XY 0.000001 -0.000002 0.000005 0.000014 0.000002 269 F 18 XZ 0.000003 -0.000004 -0.000000 0.000007 0.000003 270 F 18 YZ -0.000001 -0.000009 0.000005 0.000010 0.000007 271 C 19 S -0.000013 -0.000033 -0.000018 -0.000016 -0.000030 272 C 19 S -0.000012 -0.000031 -0.000022 -0.000022 -0.000015 273 C 19 S 0.000001 0.000338 -0.000034 0.000290 0.000137 274 C 19 X 0.000007 -0.000001 -0.000001 -0.000001 0.000000 275 C 19 Y 0.000009 0.000001 0.000011 0.000001 0.000001 276 C 19 Z -0.000000 0.000001 -0.000001 -0.000001 -0.000000 277 C 19 X -0.000068 -0.000153 -0.000008 -0.000115 -0.000043 278 C 19 Y 0.000035 -0.000099 -0.000027 -0.000082 -0.000045 279 C 19 Z 0.000026 -0.000022 0.000014 -0.000006 -0.000001 280 C 19 XX 0.000015 0.000009 0.000008 0.000006 0.000001 281 C 19 YY -0.000008 -0.000005 0.000003 -0.000002 -0.000000 282 C 19 ZZ -0.000007 -0.000004 -0.000011 -0.000003 -0.000001 283 C 19 XY -0.000001 0.000006 0.000004 0.000001 -0.000000 284 C 19 XZ -0.000001 -0.000000 0.000003 0.000000 -0.000001 285 C 19 YZ 0.000000 -0.000002 0.000008 -0.000001 -0.000000 286 H 20 S -0.000001 -0.000012 -0.000018 -0.000012 -0.000005 287 H 20 S 0.000035 0.000066 0.000062 0.000049 0.000014 288 H 20 X 0.000005 0.000000 -0.000005 0.000001 -0.000000 289 H 20 Y 0.000001 -0.000001 -0.000008 0.000000 -0.000001 290 H 20 Z -0.000002 0.000000 -0.000003 -0.000001 -0.000001 291 H 21 S 0.000010 -0.000011 0.000019 -0.000004 -0.000003 292 H 21 S -0.000003 -0.000005 -0.000001 -0.000003 -0.000000 293 H 21 X 0.000002 -0.000000 0.000001 0.000000 0.000000 294 H 21 Y -0.000006 -0.000002 0.000001 -0.000002 0.000000 295 H 21 Z -0.000001 -0.000002 0.000005 -0.000002 -0.000001 296 C 22 S 0.012441 -0.000011 -0.000073 -0.000026 -0.002417 297 C 22 S -0.000070 -0.000014 -0.000063 -0.000022 -0.000068 298 C 22 S 0.000895 0.000087 0.000075 0.000081 0.000386 299 C 22 X 0.000047 -0.000001 0.000017 0.000003 -0.000024 300 C 22 Y -0.000072 -0.000003 -0.000032 0.000001 0.000031 301 C 22 Z -0.000007 0.000001 -0.000005 -0.000001 -0.000002 302 C 22 X -0.000810 -0.000007 0.000043 -0.000098 0.000125 303 C 22 Y 0.000438 0.000062 0.000096 0.000022 0.000321 304 C 22 Z 0.000092 -0.000013 0.000055 0.000002 0.000064 305 C 22 XX 0.000121 -0.000000 0.000005 0.000006 0.000001 306 C 22 YY -0.000323 -0.000001 -0.000001 -0.000004 0.000116 307 C 22 ZZ 0.000202 0.000001 -0.000004 -0.000001 -0.000117 308 C 22 XY 0.000075 -0.000003 0.000018 -0.000010 -0.000010 309 C 22 XZ 0.000011 -0.000001 0.000002 0.000000 -0.000006 310 C 22 YZ -0.000027 -0.000001 0.000006 -0.000003 0.000016 311 H 23 S -0.000051 0.000002 -0.000013 -0.000012 -0.000033 312 H 23 S -0.000257 0.000023 0.000081 0.000003 0.000035 313 H 23 X 0.000060 0.000002 -0.000002 -0.000002 0.000006 314 H 23 Y 0.000013 0.000002 0.000000 0.000011 -0.000038 315 H 23 Z -0.000004 0.000002 -0.000004 0.000001 -0.000009 316 H 24 S -0.000112 -0.000005 -0.000014 -0.000006 0.000007 317 H 24 S 0.000464 0.000005 -0.000027 0.000015 0.000000 318 H 24 X -0.000024 -0.000001 0.000001 0.000006 -0.000030 319 H 24 Y 0.000088 -0.000004 -0.000003 -0.000002 0.000000 320 H 24 Z -0.000028 0.000001 -0.000002 -0.000003 -0.000010 321 H 25 S -0.000096 -0.000012 0.000006 -0.000004 0.000022 322 H 25 S 0.000452 0.000003 -0.000002 0.000006 0.000035 323 H 25 X -0.000019 -0.000000 -0.000004 0.000007 -0.000036 324 H 25 Y 0.000077 -0.000001 -0.000004 -0.000005 -0.000003 325 H 25 Z 0.000036 -0.000000 -0.000001 0.000002 0.000009 326 C 26 S 0.000024 -0.000044 -0.000117 -0.000026 0.000046 327 C 26 S 0.000036 -0.000070 -0.000089 -0.000007 0.000062 328 C 26 S -0.000232 0.000163 -0.000488 -0.000009 -0.000558 329 C 26 X 0.000010 0.000049 0.000035 0.000023 0.000002 330 C 26 Y -0.000003 0.000009 0.000048 -0.000001 0.000001 331 C 26 Z -0.000005 0.000000 -0.000087 -0.000022 -0.000009 332 C 26 X 0.000024 -0.000281 0.000472 0.000287 0.000168 333 C 26 Y 0.000066 0.000141 0.000106 0.000407 0.000113 334 C 26 Z -0.000066 0.000398 0.000371 0.000394 -0.000106 335 C 26 XX -0.000000 -0.000066 -0.000002 -0.000047 0.000002 336 C 26 YY 0.000005 -0.000006 -0.000055 -0.000015 -0.000006 337 C 26 ZZ -0.000005 0.000072 0.000058 0.000062 0.000004 338 C 26 XY -0.000004 0.000032 0.000026 -0.000036 -0.000019 339 C 26 XZ 0.000005 0.000029 0.000079 0.000026 -0.000012 340 C 26 YZ 0.000014 0.000005 0.000114 0.000033 0.000018 341 H 27 S -0.000009 -0.000126 -0.000114 -0.000010 0.000020 342 H 27 S 0.000103 0.000293 0.000903 0.000809 0.000303 343 H 27 X 0.000011 0.000034 0.000027 0.000032 0.000036 344 H 27 Y 0.000009 0.000016 -0.000013 0.000051 0.000035 345 H 27 Z -0.000003 0.000019 0.000075 0.000059 0.000006 346 H 28 S 0.000021 -0.000045 0.000160 0.000014 0.000044 347 H 28 S -0.000006 -0.000053 0.000120 -0.000112 -0.000010 348 H 28 X 0.000004 0.000044 0.000006 -0.000005 -0.000011 349 H 28 Y -0.000003 0.000000 -0.000061 -0.000010 -0.000013 350 H 28 Z 0.000010 -0.000045 0.000017 -0.000019 0.000008 351 H 29 S 0.000024 0.000127 0.000035 0.000054 0.000010 352 H 29 S -0.000011 0.000219 -0.000162 -0.000004 -0.000064 353 H 29 X -0.000002 -0.000040 -0.000006 -0.000021 0.000000 354 H 29 Y 0.000004 0.000028 0.000036 -0.000009 -0.000012 355 H 29 Z -0.000002 0.000012 -0.000035 0.000000 -0.000009 356 C 30 S 0.000000 -0.000080 -0.000560 -0.000038 -0.000057 357 C 30 S 0.000013 -0.000057 -0.000552 -0.000027 -0.000033 358 C 30 S -0.000462 -0.000199 0.001753 0.000177 -0.000385 359 C 30 X 0.000009 0.000042 0.000125 0.000039 0.000008 360 C 30 Y 0.000027 0.000006 0.000086 -0.000009 0.000034 361 C 30 Z 0.000019 0.000051 0.000042 -0.000016 0.000020 362 C 30 X -0.000033 0.000328 -0.001269 -0.000160 -0.000168 363 C 30 Y 0.000246 -0.000430 -0.000936 -0.000079 0.000003 364 C 30 Z -0.000289 -0.000506 -0.001005 -0.000367 -0.000285 365 C 30 XX -0.000011 -0.000061 0.000022 -0.000065 -0.000003 366 C 30 YY -0.000052 -0.000022 -0.000044 -0.000017 -0.000054 367 C 30 ZZ 0.000063 0.000083 0.000022 0.000082 0.000057 368 C 30 XY 0.000011 0.000020 0.000102 -0.000053 -0.000030 369 C 30 XZ -0.000007 -0.000041 0.000122 -0.000023 -0.000009 370 C 30 YZ -0.000002 0.000058 0.000133 -0.000015 0.000031 371 H 31 S -0.000027 0.000035 -0.000264 -0.000018 -0.000061 372 H 31 S 0.000575 -0.000118 -0.000102 -0.000037 0.000475 373 H 31 X 0.000004 0.000003 0.000111 0.000031 0.000003 374 H 31 Y 0.000067 0.000030 0.000077 -0.000002 0.000074 375 H 31 Z -0.000027 0.000025 0.000034 0.000042 -0.000023 376 H 32 S 0.000036 -0.000050 -0.000272 -0.000103 -0.000003 377 H 32 S -0.000022 0.001023 -0.000202 0.000319 -0.000034 378 H 32 X 0.000020 0.000033 0.000089 0.000023 0.000007 379 H 32 Y -0.000006 -0.000030 0.000097 -0.000028 0.000017 380 H 32 Z 0.000020 -0.000086 0.000035 -0.000028 0.000027 381 H 33 S 0.000056 0.000081 0.000044 0.000113 0.000084 382 H 33 S 0.000031 0.000040 0.000801 0.000158 0.000142 383 H 33 X -0.000013 -0.000027 0.000015 -0.000034 -0.000031 384 H 33 Y -0.000024 -0.000008 0.000009 -0.000044 -0.000019 385 H 33 Z 0.000006 0.000012 0.000029 -0.000017 0.000009 386 H 34 S 0.000000 -0.000007 0.000006 -0.000006 -0.000006 387 H 34 S -0.000016 -0.000001 -0.000020 -0.000006 -0.000001 388 H 34 X -0.000000 0.000001 -0.000002 -0.000001 -0.000001 389 H 34 Y -0.000005 -0.000004 0.000007 -0.000004 -0.000001 390 H 34 Z -0.000001 0.000000 -0.000002 0.000001 0.000000 391 F 35 S 0.000005 -0.000046 -0.000009 -0.000032 -0.000010 392 F 35 S 0.000009 -0.000087 -0.000019 -0.000059 -0.000019 393 F 35 S -0.000043 0.000315 0.000073 0.000220 0.000079 394 F 35 X 0.000002 0.000000 0.000001 -0.000004 0.000001 395 F 35 Y -0.000000 0.000007 -0.000001 -0.000004 0.000003 396 F 35 Z 0.000001 -0.000012 0.000003 -0.000012 0.000002 397 F 35 X -0.000027 0.000016 -0.000024 0.000061 -0.000003 398 F 35 Y 0.000004 -0.000015 -0.000003 -0.000007 -0.000021 399 F 35 Z -0.000000 0.000098 0.000004 0.000075 -0.000000 400 F 35 XX -0.000001 -0.000003 -0.000006 0.000001 -0.000003 401 F 35 YY 0.000001 0.000008 0.000004 0.000002 0.000002 402 F 35 ZZ -0.000000 -0.000004 0.000002 -0.000003 0.000001 403 F 35 XY -0.000001 -0.000001 -0.000001 -0.000002 -0.000001 404 F 35 XZ 0.000000 0.000016 0.000005 0.000010 0.000003 405 F 35 YZ -0.000000 -0.000001 0.000003 0.000004 0.000002 406 F 36 S 0.000005 0.000073 0.000011 0.000033 0.000008 407 F 36 S 0.000010 0.000130 0.000020 0.000059 0.000015 408 F 36 S -0.000041 -0.000637 -0.000088 -0.000279 -0.000068 409 F 36 X 0.000001 -0.000044 -0.000004 -0.000030 -0.000003 410 F 36 Y -0.000002 -0.000016 0.000005 0.000007 0.000003 411 F 36 Z 0.000002 -0.000018 -0.000001 -0.000011 -0.000000 412 F 36 X -0.000008 0.000051 -0.000005 0.000053 0.000001 413 F 36 Y 0.000014 0.000069 -0.000013 -0.000031 -0.000016 414 F 36 Z -0.000021 -0.000121 -0.000010 -0.000026 -0.000007 415 F 36 XX 0.000000 0.000004 0.000002 -0.000001 0.000001 416 F 36 YY 0.000000 -0.000002 -0.000005 -0.000001 -0.000003 417 F 36 ZZ -0.000000 -0.000002 0.000003 0.000001 0.000002 418 F 36 XY -0.000000 0.000005 0.000000 -0.000001 0.000001 419 F 36 XZ -0.000000 -0.000003 -0.000002 -0.000001 -0.000001 420 F 36 YZ 0.000000 0.000004 -0.000000 -0.000004 -0.000001 421 C 37 S -0.000007 0.000133 0.000068 0.000021 -0.000005 422 C 37 S -0.000001 -0.000016 -0.000072 0.000013 0.000018 423 C 37 S -0.000481 -0.000679 0.001420 -0.000839 -0.000057 424 C 37 X -0.000001 0.000007 -0.000014 0.000007 -0.000005 425 C 37 Y 0.000015 0.000001 -0.000019 0.000008 -0.000007 426 C 37 Z -0.000003 0.000007 0.000002 -0.000014 0.000009 427 C 37 X -0.000003 0.000301 -0.000561 0.000452 -0.000030 428 C 37 Y -0.000743 -0.000586 -0.000958 -0.000516 -0.000137 429 C 37 Z -0.000113 -0.000021 -0.000373 -0.000073 0.000009 430 C 37 XX 0.000005 0.000045 0.000035 0.000001 0.000012 431 C 37 YY -0.000015 -0.000025 0.000010 -0.000007 -0.000006 432 C 37 ZZ 0.000010 -0.000021 -0.000045 0.000006 -0.000006 433 C 37 XY 0.000030 0.000005 0.000013 0.000010 0.000009 434 C 37 XZ 0.000010 -0.000013 0.000010 0.000004 -0.000007 435 C 37 YZ -0.000009 -0.000017 0.000024 0.000000 -0.000013 436 S 38 S -0.000002 -0.000004 0.000003 0.000000 -0.000000 437 S 38 S -0.000014 -0.000033 0.000018 0.000002 -0.000003 438 S 38 S -0.000017 -0.000040 0.000017 -0.000001 -0.000007 439 S 38 S -0.000060 0.000296 -0.000603 -0.000254 -0.000063 440 S 38 X 0.000000 0.000008 0.000007 0.000004 0.000001 441 S 38 Y 0.000005 -0.000007 0.000022 0.000005 0.000005 442 S 38 Z 0.000000 -0.000003 0.000000 0.000001 -0.000000 443 S 38 X 0.000001 0.000031 0.000024 0.000013 0.000004 444 S 38 Y 0.000014 -0.000026 0.000068 0.000014 0.000018 445 S 38 Z 0.000003 -0.000012 0.000003 0.000004 -0.000006 446 S 38 X 0.000106 0.000182 0.000119 0.000097 -0.000005 447 S 38 Y 0.000115 -0.000064 0.000314 0.000148 0.000038 448 S 38 Z 0.000018 -0.000004 -0.000009 0.000007 -0.000009 449 S 38 XX 0.000008 -0.000030 0.000019 -0.000013 0.000001 450 S 38 YY -0.000004 0.000073 -0.000022 0.000005 -0.000006 451 S 38 ZZ -0.000004 -0.000043 0.000003 0.000008 0.000005 452 S 38 XY -0.000000 -0.000046 -0.000021 -0.000032 -0.000004 453 S 38 XZ 0.000003 -0.000002 -0.000008 -0.000001 -0.000001 454 S 38 YZ 0.000001 0.000009 0.000002 -0.000003 0.000004 455 S 38 XX -0.000001 0.000004 -0.000002 0.000001 -0.000000 456 S 38 YY 0.000000 -0.000011 0.000002 -0.000000 0.000000 457 S 38 ZZ 0.000001 0.000007 0.000000 -0.000001 -0.000000 458 S 38 XY 0.000000 0.000004 0.000002 0.000003 0.000000 459 S 38 XZ -0.000000 0.000001 0.000001 0.000000 0.000000 460 S 38 YZ -0.000000 -0.000001 -0.000000 0.000001 -0.000001 461 H 39 S -0.000029 -0.000056 -0.000044 -0.000022 -0.000001 462 H 39 S 0.000101 -0.000127 0.000028 -0.000162 0.000015 463 H 39 X -0.000015 0.000016 0.000026 -0.000005 0.000002 464 H 39 Y 0.000035 0.000018 0.000035 0.000017 0.000004 465 H 39 Z 0.000007 0.000001 0.000016 -0.000003 0.000001 21 22 23 24 25 -11.2637 -11.2626 -11.2592 -11.2458 -11.2431 A A A A A 1 C 1 S -0.000011 -0.000007 -0.012653 0.000056 0.000011 2 C 1 S -0.000031 -0.000019 0.000050 0.000072 0.000032 3 C 1 S 0.000152 0.000635 0.001005 -0.000167 0.000156 4 C 1 X -0.000004 -0.000009 0.000022 0.000021 -0.000009 5 C 1 Y -0.000005 -0.000003 -0.000033 0.000012 0.000020 6 C 1 Z 0.000001 -0.000013 -0.000004 -0.000008 -0.000013 7 C 1 X 0.000073 -0.000483 0.001807 -0.000488 -0.000255 8 C 1 Y 0.000200 0.000054 -0.001648 -0.000522 -0.000240 9 C 1 Z -0.000002 0.000123 -0.000198 -0.000021 0.000079 10 C 1 XX -0.000002 0.000022 -0.000006 0.000023 0.000008 11 C 1 YY 0.000010 -0.000019 -0.000229 -0.000061 -0.000021 12 C 1 ZZ -0.000009 -0.000003 0.000234 0.000038 0.000013 13 C 1 XY 0.000008 0.000002 0.000237 0.000024 -0.000011 14 C 1 XZ 0.000000 -0.000009 0.000029 -0.000013 -0.000002 15 C 1 YZ 0.000000 0.000005 -0.000042 -0.000038 0.000022 16 C 2 S 0.000015 0.000038 0.001880 0.000028 0.000019 17 C 2 S -0.000012 0.000043 -0.000121 -0.000044 0.000050 18 C 2 S 0.000172 -0.000846 0.000496 0.000849 -0.000502 19 C 2 X 0.000002 0.000006 -0.000025 -0.000000 0.000014 20 C 2 Y 0.000001 -0.000008 0.000034 0.000004 0.000006 21 C 2 Z -0.000000 -0.000005 -0.000000 -0.000005 -0.000014 22 C 2 X -0.000085 -0.000821 0.001296 -0.000825 -0.000211 23 C 2 Y -0.000043 -0.000203 -0.001130 0.000685 -0.000048 24 C 2 Z 0.000013 -0.000058 -0.000128 -0.000155 0.000064 25 C 2 XX 0.000004 -0.000002 0.000129 0.000024 -0.000008 26 C 2 YY -0.000003 -0.000019 0.000000 -0.000006 -0.000003 27 C 2 ZZ -0.000000 0.000021 -0.000129 -0.000018 0.000011 28 C 2 XY -0.000007 -0.000013 0.000153 -0.000061 0.000016 29 C 2 XZ -0.000000 0.000011 -0.000013 0.000002 0.000014 30 C 2 YZ 0.000002 -0.000006 0.000003 -0.000043 0.000025 31 C 3 S -0.000037 -0.000127 -0.000130 -0.000091 0.000044 32 C 3 S -0.000073 -0.000056 -0.000096 -0.000497 -0.000088 33 C 3 S 0.000800 0.000486 0.000386 0.001771 -0.000048 34 C 3 X 0.000001 0.000000 -0.000004 -0.000053 -0.000030 35 C 3 Y -0.000006 0.000002 0.000024 -0.000073 -0.000046 36 C 3 Z 0.000005 -0.000002 -0.000001 -0.000060 0.000076 37 C 3 X 0.000045 0.001929 0.000038 0.001688 -0.000191 38 C 3 Y 0.000506 0.000201 -0.001730 0.002616 -0.000476 39 C 3 Z -0.000014 0.000334 -0.000060 0.000818 0.000041 40 C 3 XX 0.000017 -0.000008 -0.000039 0.000000 -0.000025 41 C 3 YY 0.000007 0.000041 0.000055 -0.000033 0.000001 42 C 3 ZZ -0.000024 -0.000032 -0.000017 0.000033 0.000024 43 C 3 XY 0.000011 0.000058 0.000012 0.000099 0.000004 44 C 3 XZ 0.000004 0.000028 -0.000005 0.000091 0.000065 45 C 3 YZ -0.000000 0.000018 0.000008 0.000102 0.000008 46 C 4 S 0.000026 0.000215 -0.000088 -0.004464 0.000001 47 C 4 S 0.000040 -0.000020 -0.000138 0.000562 -0.000238 48 C 4 S -0.000553 -0.001649 0.001030 -0.002320 0.000662 49 C 4 X -0.000007 -0.000041 -0.000025 0.000027 0.000004 50 C 4 Y -0.000006 -0.000113 0.000017 0.000111 0.000045 51 C 4 Z 0.000004 -0.000028 0.000013 0.000216 0.000140 52 C 4 X 0.000243 0.001333 -0.000235 0.001627 -0.000328 53 C 4 Y 0.000025 0.000813 -0.000134 -0.000007 0.000395 54 C 4 Z 0.000203 -0.000220 -0.000284 0.001559 -0.001715 55 C 4 XX -0.000017 -0.000026 0.000012 0.000080 -0.000082 56 C 4 YY -0.000002 0.000008 0.000010 0.000028 0.000080 57 C 4 ZZ 0.000019 0.000018 -0.000022 -0.000108 0.000002 58 C 4 XY -0.000030 0.000007 0.000004 -0.000077 0.000005 59 C 4 XZ 0.000000 -0.000008 0.000010 -0.000016 0.000038 60 C 4 YZ 0.000004 -0.000099 -0.000004 -0.000022 -0.000096 61 S 5 S 0.000004 0.000007 -0.000013 -0.000050 -0.000009 62 S 5 S 0.000024 0.000049 -0.000104 -0.000365 -0.000069 63 S 5 S 0.000026 0.000058 -0.000141 -0.000447 -0.000094 64 S 5 S -0.000175 -0.000199 0.000110 0.001010 0.000152 65 S 5 X -0.000003 0.000001 -0.000004 0.000019 0.000022 66 S 5 Y -0.000006 0.000005 0.000034 -0.000025 -0.000014 67 S 5 Z -0.000002 0.000004 0.000000 -0.000032 0.000018 68 S 5 X -0.000009 0.000002 -0.000018 0.000054 0.000078 69 S 5 Y -0.000023 0.000010 0.000113 -0.000080 -0.000052 70 S 5 Z -0.000006 0.000013 0.000002 -0.000099 0.000073 71 S 5 X 0.000079 0.000026 -0.000071 -0.000470 -0.000125 72 S 5 Y 0.000156 -0.000304 -0.000192 -0.000159 -0.000226 73 S 5 Z -0.000005 -0.000071 0.000019 0.000209 0.000075 74 S 5 XX 0.000008 0.000031 0.000044 -0.000003 -0.000017 75 S 5 YY -0.000015 -0.000035 -0.000001 -0.000021 -0.000011 76 S 5 ZZ 0.000006 0.000004 -0.000043 0.000024 0.000028 77 S 5 XY -0.000023 0.000013 0.000058 -0.000008 0.000055 78 S 5 XZ 0.000003 -0.000017 -0.000008 -0.000055 -0.000059 79 S 5 YZ -0.000001 -0.000028 0.000001 0.000044 0.000039 80 S 5 XX -0.000001 -0.000004 -0.000004 0.000001 0.000002 81 S 5 YY 0.000001 0.000004 -0.000004 0.000005 0.000001 82 S 5 ZZ -0.000001 -0.000000 0.000008 -0.000006 -0.000003 83 S 5 XY 0.000002 -0.000002 -0.000008 0.000004 -0.000004 84 S 5 XZ -0.000000 0.000002 0.000001 0.000010 0.000006 85 S 5 YZ -0.000000 0.000004 -0.000000 -0.000008 -0.000004 86 H 6 S -0.000017 -0.000030 -0.000181 -0.000010 -0.000003 87 H 6 S -0.000037 -0.000208 -0.000148 -0.000054 -0.000070 88 H 6 X 0.000003 0.000022 -0.000146 0.000037 0.000002 89 H 6 Y 0.000003 0.000005 0.000006 -0.000001 -0.000009 90 H 6 Z -0.000001 0.000007 0.000004 0.000015 -0.000004 91 C 7 S -0.000053 0.000236 -0.000014 -0.000032 -0.000190 92 C 7 S -0.000059 0.000028 -0.000022 -0.000177 -0.000520 93 C 7 S -0.000269 -0.000479 0.000403 0.000427 0.002415 94 C 7 X 0.000002 -0.000026 -0.000004 -0.000051 -0.000038 95 C 7 Y -0.000026 -0.000006 0.000003 0.000049 0.000050 96 C 7 Z 0.000001 -0.000014 0.000000 -0.000083 0.000058 97 C 7 X 0.000459 -0.000343 -0.000236 -0.000531 0.002277 98 C 7 Y 0.000642 0.000691 -0.000227 -0.000172 -0.001662 99 C 7 Z -0.000106 0.000224 0.000061 0.000003 -0.000979 100 C 7 XX 0.000011 0.000120 0.000011 -0.000022 0.000002 101 C 7 YY 0.000003 -0.000050 -0.000002 0.000004 -0.000049 102 C 7 ZZ -0.000014 -0.000069 -0.000008 0.000019 0.000047 103 C 7 XY -0.000005 0.000104 0.000008 -0.000024 -0.000120 104 C 7 XZ -0.000003 0.000020 -0.000001 -0.000075 -0.000111 105 C 7 YZ 0.000013 0.000000 -0.000003 -0.000028 0.000108 106 C 8 S -0.009067 -0.021180 -0.000010 0.000037 0.000095 107 C 8 S 0.000068 -0.000499 -0.000019 0.000069 0.000138 108 C 8 S 0.000782 0.004360 0.000273 -0.000608 -0.001862 109 C 8 X 0.000002 0.000019 -0.000001 -0.000010 -0.000041 110 C 8 Y 0.000036 0.000112 -0.000005 -0.000003 0.000027 111 C 8 Z 0.000006 -0.000003 -0.000001 0.000011 0.000011 112 C 8 X 0.000590 -0.000151 0.000127 -0.000099 0.000428 113 C 8 Y 0.002596 -0.003567 -0.000178 0.000456 0.001368 114 C 8 Z 0.000331 -0.000465 -0.000017 -0.000045 0.000283 115 C 8 XX 0.000025 -0.000095 -0.000000 0.000005 0.000019 116 C 8 YY -0.000256 -0.000169 0.000009 -0.000031 -0.000063 117 C 8 ZZ 0.000230 0.000264 -0.000008 0.000026 0.000044 118 C 8 XY -0.000242 -0.000043 -0.000006 0.000010 -0.000038 119 C 8 XZ -0.000034 -0.000026 -0.000002 0.000004 0.000002 120 C 8 YZ -0.000079 -0.000037 0.000002 0.000034 -0.000049 121 C 9 S 0.000077 -0.013088 0.000015 0.000043 -0.005783 122 C 9 S -0.000147 0.000240 0.000016 -0.000257 0.000657 123 C 9 S 0.000932 0.001449 -0.000309 0.000975 -0.003724 124 C 9 X -0.000021 0.000154 0.000002 -0.000007 0.000011 125 C 9 Y -0.000019 0.000149 0.000003 -0.000067 -0.000093 126 C 9 Z -0.000009 0.000051 -0.000007 -0.000145 -0.000231 127 C 9 X 0.000564 -0.000633 -0.000112 0.000079 0.000967 128 C 9 Y 0.000059 0.000846 0.000165 -0.000303 -0.001173 129 C 9 Z 0.000171 0.001236 -0.000082 0.002144 -0.001933 130 C 9 XX 0.000036 -0.000011 0.000003 -0.000102 0.000037 131 C 9 YY -0.000016 -0.000095 -0.000003 0.000071 0.000040 132 C 9 ZZ -0.000020 0.000106 -0.000000 0.000031 -0.000076 133 C 9 XY 0.000056 -0.000175 0.000008 -0.000025 0.000013 134 C 9 XZ 0.000009 -0.000045 -0.000002 0.000008 0.000012 135 C 9 YZ -0.000009 -0.000075 0.000007 -0.000091 -0.000025 136 C 10 S -0.000015 -0.000088 0.000002 0.000040 0.000091 137 C 10 S -0.000053 -0.000059 0.000003 -0.000026 0.000068 138 C 10 S 0.000689 0.000677 -0.000626 0.000301 -0.001268 139 C 10 X -0.000014 -0.000001 -0.000004 -0.000024 -0.000012 140 C 10 Y 0.000001 -0.000022 0.000008 0.000014 -0.000007 141 C 10 Z 0.000002 0.000013 -0.000000 -0.000044 0.000032 142 C 10 X 0.000828 -0.000228 -0.000390 0.000144 -0.000341 143 C 10 Y -0.000053 -0.000435 -0.000097 -0.001335 0.001838 144 C 10 Z -0.000105 -0.000108 0.000043 0.000086 0.000165 145 C 10 XX 0.000013 0.000022 -0.000007 -0.000082 -0.000014 146 C 10 YY -0.000002 -0.000033 0.000009 0.000065 -0.000002 147 C 10 ZZ -0.000010 0.000011 -0.000002 0.000017 0.000017 148 C 10 XY 0.000007 -0.000038 -0.000003 0.000024 0.000078 149 C 10 XZ -0.000006 0.000004 0.000005 -0.000020 0.000029 150 C 10 YZ -0.000000 0.000018 0.000003 -0.000016 -0.000002 151 C 11 S 0.000009 -0.000042 0.000018 0.000089 0.000017 152 C 11 S 0.000001 -0.000021 -0.000007 0.000026 -0.000046 153 C 11 S -0.000524 0.000695 0.000272 -0.001413 0.001393 154 C 11 X -0.000004 -0.000004 -0.000003 -0.000023 -0.000010 155 C 11 Y -0.000001 0.000004 -0.000013 -0.000004 -0.000007 156 C 11 Z 0.000001 -0.000008 -0.000002 -0.000044 0.000038 157 C 11 X -0.000451 0.000909 0.000923 -0.000220 0.000067 158 C 11 Y -0.000115 -0.000803 0.000531 -0.001513 0.001336 159 C 11 Z -0.000007 0.000058 0.000050 -0.000103 -0.000052 160 C 11 XX -0.000008 0.000010 0.000023 -0.000026 -0.000056 161 C 11 YY 0.000002 0.000014 -0.000024 0.000009 0.000065 162 C 11 ZZ 0.000005 -0.000024 0.000001 0.000016 -0.000010 163 C 11 XY -0.000009 -0.000033 -0.000013 -0.000075 -0.000050 164 C 11 XZ -0.000005 -0.000000 0.000004 -0.000020 0.000037 165 C 11 YZ 0.000001 0.000013 -0.000000 0.000008 -0.000007 166 C 12 S -0.000020 -0.000002 -0.000006 -0.000050 -0.000005 167 C 12 S -0.000036 -0.000008 -0.000011 -0.000085 -0.000007 168 C 12 S 0.000467 -0.000157 -0.000064 0.000593 -0.000234 169 C 12 X -0.000001 -0.000024 -0.000001 0.000018 -0.000006 170 C 12 Y -0.000006 0.000002 0.000001 -0.000003 -0.000018 171 C 12 Z -0.000001 -0.000002 0.000002 0.000010 -0.000006 172 C 12 X 0.000211 -0.000026 -0.000003 0.000387 0.000049 173 C 12 Y 0.000059 0.000038 0.000040 0.000181 -0.000021 174 C 12 Z -0.000014 0.000088 -0.000021 -0.000288 0.000144 175 C 12 XX -0.000000 -0.000012 0.000004 0.000034 0.000016 176 C 12 YY -0.000003 0.000011 0.000001 -0.000002 -0.000020 177 C 12 ZZ 0.000003 0.000002 -0.000005 -0.000032 0.000005 178 C 12 XY -0.000014 -0.000000 -0.000001 -0.000003 -0.000040 179 C 12 XZ -0.000002 0.000004 0.000003 0.000003 -0.000018 180 C 12 YZ -0.000011 -0.000001 -0.000001 -0.000006 -0.000008 181 C 13 S -0.000004 0.000004 -0.000020 0.000003 -0.000022 182 C 13 S -0.000005 0.000008 -0.000034 0.000001 -0.000034 183 C 13 S 0.000078 -0.000042 0.000315 -0.000094 0.000378 184 C 13 X 0.000004 0.000004 0.000006 -0.000002 0.000011 185 C 13 Y 0.000000 0.000003 -0.000006 -0.000004 0.000006 186 C 13 Z 0.000000 0.000001 0.000000 -0.000016 0.000011 187 C 13 X -0.000014 -0.000023 0.000036 -0.000152 0.000056 188 C 13 Y 0.000013 0.000067 -0.000128 -0.000004 0.000014 189 C 13 Z 0.000027 0.000019 0.000072 0.000262 -0.000021 190 C 13 XX 0.000005 0.000010 0.000008 0.000009 0.000014 191 C 13 YY -0.000000 0.000002 -0.000002 -0.000008 0.000006 192 C 13 ZZ -0.000004 -0.000012 -0.000006 -0.000002 -0.000020 193 C 13 XY 0.000005 -0.000000 -0.000014 -0.000005 0.000013 194 C 13 XZ -0.000000 -0.000005 0.000002 -0.000000 -0.000008 195 C 13 YZ 0.000004 0.000001 -0.000010 0.000000 0.000009 196 C 14 S -0.000009 -0.000025 -0.000024 -0.000032 -0.000007 197 C 14 S -0.000015 -0.000044 -0.000044 -0.000057 -0.000006 198 C 14 S -0.000102 0.000401 0.000604 0.000021 0.000188 199 C 14 X -0.000007 0.000000 -0.000002 -0.000000 0.000015 200 C 14 Y 0.000000 0.000008 0.000014 0.000007 0.000010 201 C 14 Z -0.000001 0.000002 0.000002 0.000015 -0.000002 202 C 14 X -0.000001 0.000047 0.000466 0.000063 0.000238 203 C 14 Y -0.000017 0.000137 -0.000206 0.000114 -0.000175 204 C 14 Z 0.000014 -0.000023 -0.000005 -0.000251 0.000161 205 C 14 XX 0.000004 -0.000011 -0.000001 0.000012 0.000031 206 C 14 YY 0.000000 0.000006 -0.000017 0.000009 -0.000020 207 C 14 ZZ -0.000004 0.000005 0.000018 -0.000021 -0.000011 208 C 14 XY 0.000004 0.000013 0.000031 0.000026 0.000004 209 C 14 XZ -0.000001 -0.000004 -0.000004 0.000021 -0.000001 210 C 14 YZ 0.000000 0.000004 0.000021 0.000026 -0.000005 211 F 15 S 0.000004 0.000005 -0.000000 -0.000013 0.000020 212 F 15 S 0.000007 0.000009 -0.000000 -0.000023 0.000038 213 F 15 S -0.000031 -0.000032 0.000005 0.000097 -0.000116 214 F 15 X 0.000001 -0.000002 -0.000000 0.000008 0.000007 215 F 15 Y 0.000004 0.000001 0.000000 0.000001 0.000001 216 F 15 Z -0.000001 -0.000001 -0.000001 -0.000002 0.000001 217 F 15 X -0.000009 0.000004 -0.000001 -0.000026 -0.000048 218 F 15 Y -0.000019 -0.000002 -0.000002 -0.000017 -0.000003 219 F 15 Z 0.000016 0.000006 0.000000 -0.000015 0.000021 220 F 15 XX 0.000002 -0.000000 -0.000000 -0.000000 -0.000002 221 F 15 YY -0.000000 -0.000000 -0.000000 -0.000002 0.000002 222 F 15 ZZ -0.000001 0.000001 0.000001 0.000002 -0.000000 223 F 15 XY -0.000001 0.000000 -0.000000 -0.000000 -0.000002 224 F 15 XZ 0.000001 0.000000 -0.000000 -0.000001 0.000003 225 F 15 YZ 0.000001 -0.000000 -0.000000 0.000002 -0.000000 226 F 16 S 0.000008 -0.000005 0.000002 0.000021 -0.000001 227 F 16 S 0.000015 -0.000009 0.000003 0.000039 -0.000002 228 F 16 S -0.000072 0.000029 -0.000015 -0.000171 0.000016 229 F 16 X -0.000003 -0.000002 0.000001 0.000001 0.000002 230 F 16 Y -0.000002 0.000000 0.000001 0.000001 -0.000001 231 F 16 Z 0.000001 0.000001 0.000000 -0.000004 0.000002 232 F 16 X -0.000005 0.000009 -0.000007 -0.000028 -0.000028 233 F 16 Y 0.000028 -0.000006 0.000000 0.000034 0.000003 234 F 16 Z -0.000020 -0.000010 -0.000003 0.000002 -0.000013 235 F 16 XX 0.000002 0.000000 0.000000 0.000002 -0.000000 236 F 16 YY -0.000002 0.000000 0.000000 -0.000001 0.000000 237 F 16 ZZ -0.000001 -0.000001 -0.000000 -0.000001 -0.000000 238 F 16 XY 0.000001 0.000001 0.000001 0.000001 0.000002 239 F 16 XZ -0.000001 -0.000000 -0.000000 -0.000001 -0.000001 240 F 16 YZ 0.000001 0.000001 0.000000 -0.000002 0.000001 241 F 17 S -0.000000 0.000004 0.000019 0.000019 -0.000007 242 F 17 S -0.000000 0.000007 0.000033 0.000034 -0.000013 243 F 17 S 0.000001 -0.000033 -0.000154 -0.000131 0.000034 244 F 17 X 0.000001 0.000001 -0.000005 0.000004 -0.000001 245 F 17 Y 0.000000 0.000001 0.000002 0.000003 -0.000003 246 F 17 Z 0.000000 -0.000001 0.000002 -0.000007 0.000005 247 F 17 X -0.000006 -0.000010 -0.000007 -0.000041 0.000009 248 F 17 Y -0.000000 -0.000023 -0.000037 -0.000060 0.000038 249 F 17 Z -0.000002 -0.000007 -0.000048 0.000010 -0.000022 250 F 17 XX -0.000000 0.000001 0.000004 0.000000 0.000002 251 F 17 YY 0.000000 -0.000001 -0.000002 -0.000003 0.000002 252 F 17 ZZ -0.000000 -0.000000 -0.000003 0.000003 -0.000004 253 F 17 XY -0.000001 -0.000001 -0.000001 -0.000003 0.000002 254 F 17 XZ -0.000000 -0.000000 -0.000001 -0.000001 0.000001 255 F 17 YZ 0.000000 -0.000002 -0.000002 -0.000003 0.000003 256 F 18 S 0.000003 0.000006 0.000009 -0.000016 0.000016 257 F 18 S 0.000006 0.000010 0.000017 -0.000029 0.000030 258 F 18 S -0.000018 -0.000037 -0.000065 0.000121 -0.000105 259 F 18 X 0.000001 0.000001 0.000004 0.000003 0.000002 260 F 18 Y 0.000000 0.000001 -0.000007 0.000002 -0.000001 261 F 18 Z -0.000000 -0.000000 -0.000003 -0.000003 -0.000000 262 F 18 X -0.000007 -0.000010 -0.000036 -0.000007 -0.000022 263 F 18 Y -0.000004 -0.000014 0.000034 0.000004 0.000002 264 F 18 Z 0.000003 0.000017 0.000036 -0.000020 0.000019 265 F 18 XX -0.000001 -0.000000 0.000002 -0.000004 0.000002 266 F 18 YY 0.000000 0.000001 0.000001 0.000001 -0.000002 267 F 18 ZZ 0.000001 -0.000001 -0.000003 0.000003 0.000000 268 F 18 XY -0.000000 0.000000 0.000002 0.000002 -0.000000 269 F 18 XZ 0.000000 0.000001 0.000003 -0.000001 0.000001 270 F 18 YZ -0.000000 0.000001 -0.000001 -0.000001 -0.000001 271 C 19 S 1.002289 0.013720 0.000011 0.000000 -0.000004 272 C 19 S 0.004946 -0.000056 -0.000007 0.000007 -0.000021 273 C 19 S -0.010355 0.001246 0.000014 -0.000071 -0.000383 274 C 19 X -0.000110 -0.000019 0.000002 -0.000004 -0.000011 275 C 19 Y -0.000093 -0.000042 0.000003 -0.000003 -0.000003 276 C 19 Z -0.000029 -0.000005 0.000001 -0.000008 -0.000003 277 C 19 X 0.000931 -0.000565 -0.000035 0.000082 0.000119 278 C 19 Y 0.000991 -0.000391 0.000009 0.000008 -0.000008 279 C 19 Z 0.000167 -0.000090 -0.000006 0.000072 0.000062 280 C 19 XX -0.000009 0.000051 0.000007 -0.000010 -0.000011 281 C 19 YY -0.000075 0.000050 -0.000003 0.000005 0.000029 282 C 19 ZZ 0.000084 -0.000101 -0.000003 0.000005 -0.000018 283 C 19 XY -0.000129 0.000044 0.000001 -0.000002 0.000024 284 C 19 XZ -0.000020 0.000016 0.000001 0.000002 0.000002 285 C 19 YZ -0.000029 0.000022 -0.000001 0.000004 0.000016 286 H 20 S 0.000158 -0.000058 -0.000001 0.000001 -0.000008 287 H 20 S 0.001012 0.000101 0.000017 -0.000044 0.000012 288 H 20 X 0.000373 0.000031 0.000002 -0.000001 -0.000014 289 H 20 Y -0.000121 0.000027 0.000000 -0.000002 -0.000008 290 H 20 Z 0.000002 0.000006 0.000001 -0.000008 -0.000006 291 H 21 S 0.000173 -0.000025 -0.000000 0.000013 0.000022 292 H 21 S 0.001227 0.000030 -0.000006 0.000007 0.000064 293 H 21 X -0.000112 0.000009 0.000000 0.000004 0.000001 294 H 21 Y 0.000226 -0.000023 -0.000002 0.000006 0.000000 295 H 21 Z -0.000321 -0.000007 -0.000000 -0.000002 0.000014 296 C 22 S -0.000020 0.000001 1.002343 -0.000005 0.000006 297 C 22 S -0.000011 0.000003 0.004933 -0.000028 0.000014 298 C 22 S 0.000072 0.000055 -0.010250 0.000018 -0.000115 299 C 22 X 0.000000 0.000001 -0.000025 -0.000008 -0.000001 300 C 22 Y -0.000002 0.000002 0.000111 0.000010 -0.000002 301 C 22 Z -0.000000 0.000003 -0.000001 -0.000000 0.000005 302 C 22 X -0.000038 0.000037 0.000377 0.000108 0.000099 303 C 22 Y 0.000031 0.000034 -0.001283 0.000127 -0.000011 304 C 22 Z 0.000006 -0.000045 -0.000094 0.000072 -0.000083 305 C 22 XX 0.000003 -0.000002 0.000045 -0.000011 -0.000006 306 C 22 YY -0.000005 0.000006 -0.000132 0.000032 0.000006 307 C 22 ZZ 0.000001 -0.000004 0.000088 -0.000021 -0.000000 308 C 22 XY -0.000005 0.000005 0.000104 -0.000010 0.000008 309 C 22 XZ -0.000001 -0.000002 0.000005 0.000005 -0.000009 310 C 22 YZ 0.000000 -0.000001 -0.000016 -0.000001 0.000002 311 H 23 S 0.000001 -0.000007 0.000149 -0.000001 0.000007 312 H 23 S 0.000008 0.000030 0.001001 0.000096 0.000034 313 H 23 X 0.000001 -0.000000 -0.000299 0.000002 0.000001 314 H 23 Y 0.000005 -0.000004 -0.000268 -0.000004 -0.000004 315 H 23 Z -0.000000 0.000005 -0.000004 -0.000004 0.000007 316 H 24 S -0.000006 0.000015 0.000172 -0.000009 0.000023 317 H 24 S 0.000010 -0.000006 0.001226 -0.000091 0.000001 318 H 24 X 0.000002 -0.000003 0.000235 0.000001 -0.000010 319 H 24 Y -0.000002 0.000001 -0.000007 -0.000004 -0.000002 320 H 24 Z -0.000001 0.000002 0.000330 0.000006 0.000002 321 H 25 S -0.000005 -0.000002 0.000162 -0.000002 -0.000011 322 H 25 S 0.000010 -0.000028 0.001212 0.000042 -0.000050 323 H 25 X 0.000002 -0.000001 0.000217 -0.000014 -0.000001 324 H 25 Y -0.000002 0.000006 0.000031 -0.000000 0.000005 325 H 25 Z 0.000000 -0.000001 -0.000349 0.000005 -0.000004 326 C 26 S -0.000005 -0.000765 0.000007 0.000211 1.002538 327 C 26 S -0.000005 -0.000531 0.000009 -0.000163 0.005139 328 C 26 S 0.000000 0.001687 -0.000001 0.001418 -0.009906 329 C 26 X -0.000004 -0.000088 0.000000 -0.000008 -0.000018 330 C 26 Y 0.000001 -0.000101 -0.000000 0.000009 0.000055 331 C 26 Z -0.000006 -0.000065 0.000005 0.000028 0.000139 332 C 26 X -0.000094 0.000923 0.000003 0.000116 0.000003 333 C 26 Y -0.000005 0.000991 -0.000028 0.000176 -0.000176 334 C 26 Z -0.000026 0.001013 -0.000010 0.000764 -0.001464 335 C 26 XX 0.000003 -0.000046 -0.000001 -0.000039 0.000146 336 C 26 YY -0.000002 0.000014 -0.000003 -0.000013 0.000129 337 C 26 ZZ -0.000001 0.000032 0.000004 0.000051 -0.000275 338 C 26 XY -0.000002 0.000106 0.000004 -0.000014 -0.000007 339 C 26 XZ -0.000020 0.000120 0.000002 0.000005 -0.000032 340 C 26 YZ -0.000010 0.000086 -0.000001 -0.000014 -0.000055 341 H 27 S 0.000004 0.000025 0.000006 -0.000056 0.000200 342 H 27 S -0.000030 0.000720 -0.000020 0.000162 0.001107 343 H 27 X 0.000001 -0.000006 -0.000002 0.000013 -0.000319 344 H 27 Y 0.000004 -0.000010 -0.000003 0.000009 -0.000264 345 H 27 Z 0.000006 -0.000030 0.000005 -0.000019 -0.000003 346 H 28 S 0.000012 -0.000270 0.000002 -0.000058 0.000197 347 H 28 S -0.000056 -0.000065 0.000006 0.000068 0.001002 348 H 28 X 0.000004 -0.000071 -0.000001 -0.000014 -0.000079 349 H 28 Y 0.000010 -0.000053 0.000000 0.000012 0.000401 350 H 28 Z -0.000004 -0.000026 0.000000 0.000016 -0.000123 351 H 29 S -0.000004 -0.000185 0.000006 -0.000081 0.000161 352 H 29 S 0.000062 -0.000122 -0.000009 0.000041 0.001028 353 H 29 X 0.000004 -0.000097 0.000002 -0.000007 0.000399 354 H 29 Y 0.000008 -0.000097 -0.000002 -0.000002 -0.000154 355 H 29 Z 0.000000 -0.000038 0.000005 -0.000015 -0.000052 356 C 30 S 0.000018 -0.000269 -0.000024 1.002521 -0.000401 357 C 30 S 0.000021 -0.000139 -0.000020 0.005102 -0.000165 358 C 30 S -0.000078 0.000178 0.000123 -0.009760 0.001260 359 C 30 X -0.000002 -0.000026 -0.000001 -0.000028 -0.000003 360 C 30 Y 0.000002 -0.000079 0.000000 -0.000021 -0.000008 361 C 30 Z -0.000002 0.000054 0.000002 -0.000139 -0.000023 362 C 30 X 0.000007 -0.000300 -0.000002 0.000095 0.000023 363 C 30 Y 0.000006 0.000487 -0.000021 0.000211 -0.000166 364 C 30 Z 0.000067 -0.000520 0.000003 0.001319 -0.000693 365 C 30 XX 0.000001 0.000030 0.000008 0.000134 -0.000044 366 C 30 YY 0.000003 -0.000052 -0.000005 0.000115 -0.000009 367 C 30 ZZ -0.000004 0.000022 -0.000003 -0.000250 0.000052 368 C 30 XY 0.000002 0.000012 0.000003 -0.000010 0.000003 369 C 30 XZ 0.000008 0.000049 0.000008 0.000020 0.000006 370 C 30 YZ -0.000001 0.000083 -0.000004 -0.000092 -0.000015 371 H 31 S -0.000000 0.000186 0.000007 0.000160 -0.000061 372 H 31 S -0.000008 0.000385 -0.000075 0.001038 0.000047 373 H 31 X -0.000002 0.000005 0.000002 0.000009 -0.000004 374 H 31 Y -0.000002 0.000061 -0.000011 -0.000407 -0.000014 375 H 31 Z -0.000002 -0.000035 0.000005 0.000143 -0.000009 376 H 32 S 0.000016 -0.000112 -0.000003 0.000228 -0.000059 377 H 32 S -0.000009 -0.000230 0.000001 0.001142 0.000119 378 H 32 X 0.000002 -0.000039 -0.000001 -0.000356 0.000013 379 H 32 Y 0.000001 -0.000062 -0.000003 0.000187 -0.000002 380 H 32 Z -0.000006 0.000067 -0.000002 0.000020 0.000021 381 H 33 S 0.000009 -0.000189 -0.000009 0.000148 -0.000064 382 H 33 S -0.000039 0.000385 0.000015 0.001060 0.000079 383 H 33 X 0.000007 -0.000009 0.000003 0.000353 -0.000009 384 H 33 Y 0.000007 0.000000 0.000001 0.000241 -0.000001 385 H 33 Z -0.000003 -0.000007 -0.000006 0.000021 0.000012 386 H 34 S 0.000176 -0.000014 0.000002 -0.000013 -0.000007 387 H 34 S 0.001213 0.000068 0.000001 -0.000021 -0.000049 388 H 34 X -0.000140 0.000007 0.000001 -0.000007 0.000004 389 H 34 Y 0.000151 -0.000034 -0.000003 0.000004 0.000027 390 H 34 Z 0.000346 0.000001 -0.000001 0.000001 -0.000002 391 F 35 S 0.000003 0.000004 0.000005 0.000008 0.000006 392 F 35 S 0.000005 0.000007 0.000008 0.000014 0.000010 393 F 35 S -0.000021 -0.000019 -0.000042 -0.000075 -0.000044 394 F 35 X -0.000000 0.000000 0.000000 -0.000002 -0.000000 395 F 35 Y -0.000001 0.000002 0.000000 -0.000003 0.000002 396 F 35 Z -0.000000 0.000002 0.000000 0.000003 -0.000000 397 F 35 X -0.000006 -0.000009 -0.000015 -0.000009 -0.000020 398 F 35 Y 0.000003 -0.000011 -0.000001 0.000012 -0.000013 399 F 35 Z 0.000004 -0.000005 0.000004 -0.000016 0.000014 400 F 35 XX -0.000001 -0.000001 -0.000001 -0.000001 -0.000002 401 F 35 YY 0.000001 0.000000 0.000001 0.000000 0.000002 402 F 35 ZZ -0.000000 0.000001 -0.000000 0.000001 -0.000001 403 F 35 XY 0.000000 -0.000001 -0.000001 0.000001 -0.000001 404 F 35 XZ 0.000001 0.000000 0.000001 -0.000001 0.000002 405 F 35 YZ 0.000000 0.000001 -0.000000 0.000001 0.000000 406 F 36 S -0.000000 -0.000004 0.000002 -0.000012 0.000004 407 F 36 S -0.000001 -0.000007 0.000004 -0.000022 0.000008 408 F 36 S 0.000005 0.000029 -0.000010 0.000119 -0.000042 409 F 36 X -0.000001 0.000001 -0.000000 0.000004 -0.000001 410 F 36 Y 0.000001 -0.000000 -0.000002 0.000001 -0.000000 411 F 36 Z 0.000001 -0.000001 0.000002 0.000004 -0.000002 412 F 36 X 0.000004 -0.000001 0.000000 -0.000011 0.000006 413 F 36 Y -0.000003 -0.000002 0.000013 -0.000007 -0.000001 414 F 36 Z -0.000001 0.000015 -0.000011 0.000012 0.000001 415 F 36 XX -0.000000 -0.000001 0.000000 0.000001 -0.000002 416 F 36 YY -0.000000 -0.000001 0.000000 -0.000001 -0.000000 417 F 36 ZZ 0.000000 0.000002 -0.000000 -0.000000 0.000002 418 F 36 XY 0.000000 0.000001 -0.000000 0.000000 0.000000 419 F 36 XZ 0.000000 0.000000 0.000000 -0.000001 0.000001 420 F 36 YZ -0.000000 -0.000000 0.000000 -0.000000 -0.000000 421 C 37 S -0.014064 1.002061 -0.000001 0.000151 0.000088 422 C 37 S -0.000226 0.004965 -0.000003 -0.000107 -0.000545 423 C 37 S 0.001610 -0.011877 -0.000187 0.000261 0.003540 424 C 37 X -0.000025 -0.000091 0.000001 0.000045 0.000042 425 C 37 Y -0.000035 -0.000139 0.000004 0.000057 0.000028 426 C 37 Z 0.000001 -0.000110 0.000002 -0.000077 0.000048 427 C 37 X -0.000055 0.002979 -0.000020 -0.000179 -0.001946 428 C 37 Y 0.001475 -0.001104 -0.000299 0.000554 0.000075 429 C 37 Z 0.000175 0.000021 -0.000020 -0.000054 -0.000416 430 C 37 XX 0.000147 0.000385 0.000004 -0.000046 -0.000009 431 C 37 YY -0.000019 0.000066 -0.000005 0.000016 0.000011 432 C 37 ZZ -0.000129 -0.000450 0.000001 0.000030 -0.000002 433 C 37 XY -0.000152 -0.000295 0.000010 -0.000012 0.000037 434 C 37 XZ -0.000013 -0.000014 -0.000003 0.000068 0.000062 435 C 37 YZ 0.000007 0.000113 -0.000004 0.000059 0.000091 436 S 38 S -0.000012 -0.000008 -0.000001 0.000000 -0.000012 437 S 38 S -0.000091 -0.000065 -0.000011 0.000003 -0.000088 438 S 38 S -0.000125 -0.000077 -0.000013 0.000008 -0.000101 439 S 38 S -0.000052 -0.000423 0.000112 0.000063 0.000845 440 S 38 X -0.000025 -0.000032 0.000000 0.000008 0.000007 441 S 38 Y -0.000016 0.000015 -0.000002 -0.000004 0.000002 442 S 38 Z -0.000003 -0.000002 -0.000000 0.000005 0.000002 443 S 38 X -0.000084 -0.000089 0.000001 0.000024 0.000016 444 S 38 Y -0.000060 0.000035 -0.000006 -0.000014 0.000007 445 S 38 Z -0.000010 -0.000011 -0.000001 0.000020 0.000015 446 S 38 X 0.000215 0.000074 0.000046 -0.000012 -0.000073 447 S 38 Y 0.000116 0.000362 -0.000006 -0.000078 -0.000386 448 S 38 Z 0.000013 0.000008 -0.000003 -0.000049 0.000153 449 S 38 XX 0.000056 0.000035 0.000001 -0.000000 0.000058 450 S 38 YY -0.000010 0.000025 0.000000 0.000000 -0.000020 451 S 38 ZZ -0.000046 -0.000061 -0.000002 -0.000000 -0.000038 452 S 38 XY -0.000046 0.000014 0.000001 -0.000020 0.000064 453 S 38 XZ -0.000004 0.000005 0.000002 -0.000012 -0.000009 454 S 38 YZ 0.000002 0.000038 0.000003 0.000022 -0.000084 455 S 38 XX -0.000010 -0.000008 -0.000000 0.000000 -0.000005 456 S 38 YY 0.000001 -0.000003 0.000000 -0.000000 0.000001 457 S 38 ZZ 0.000009 0.000011 0.000000 -0.000000 0.000004 458 S 38 XY 0.000004 0.000000 -0.000000 0.000002 -0.000007 459 S 38 XZ -0.000000 -0.000001 -0.000000 0.000002 0.000002 460 S 38 YZ -0.000001 -0.000005 -0.000000 -0.000003 0.000010 461 H 39 S -0.000193 -0.000462 -0.000012 0.000071 0.000001 462 H 39 S -0.000078 0.000352 0.000045 0.000023 0.000438 463 H 39 X 0.000068 0.000538 -0.000005 -0.000003 0.000046 464 H 39 Y -0.000114 -0.000115 0.000015 0.000005 0.000059 465 H 39 Z -0.000014 -0.000047 0.000002 -0.000036 0.000071 26 27 28 29 30 -8.9971 -8.9748 -6.6787 -6.6775 -6.6755 A A A A A 1 C 1 S -0.000038 -0.000357 0.000012 -0.000002 -0.000000 2 C 1 S -0.000065 -0.000480 0.000021 -0.000003 -0.000000 3 C 1 S 0.000176 0.003494 -0.000209 -0.000004 -0.000027 4 C 1 X -0.000010 -0.000087 0.000003 0.000001 0.000001 5 C 1 Y -0.000020 -0.000150 -0.000000 -0.000003 -0.000001 6 C 1 Z -0.000010 0.000033 0.000000 0.000001 0.000002 7 C 1 X 0.000032 0.001834 0.000078 -0.000050 0.000011 8 C 1 Y 0.000580 0.005679 -0.000101 0.000045 0.000015 9 C 1 Z 0.000062 0.000055 -0.000004 -0.000001 0.000003 10 C 1 XX 0.000005 -0.000080 -0.000006 0.000003 -0.000001 11 C 1 YY 0.000020 -0.000215 -0.000000 0.000000 0.000001 12 C 1 ZZ -0.000025 0.000295 0.000007 -0.000003 -0.000000 13 C 1 XY 0.000003 -0.000503 0.000001 -0.000002 -0.000000 14 C 1 XZ -0.000003 0.000021 0.000001 0.000001 -0.000000 15 C 1 YZ 0.000003 0.000038 -0.000001 -0.000000 0.000001 16 C 2 S -0.000020 -0.000160 0.000000 0.000000 -0.000001 17 C 2 S -0.000039 -0.000299 0.000002 -0.000001 -0.000001 18 C 2 S -0.000357 -0.001583 0.000034 -0.000017 0.000021 19 C 2 X 0.000009 -0.000145 -0.000005 -0.000002 -0.000001 20 C 2 Y -0.000028 -0.000053 0.000001 -0.000002 0.000001 21 C 2 Z 0.000001 0.000049 -0.000000 0.000001 0.000003 22 C 2 X 0.000237 0.000489 0.000106 0.000006 0.000039 23 C 2 Y -0.000285 -0.002874 0.000004 0.000010 0.000004 24 C 2 Z -0.000023 -0.000207 -0.000016 0.000015 0.000002 25 C 2 XX -0.000005 0.000030 0.000005 -0.000001 -0.000000 26 C 2 YY 0.000008 0.000139 0.000001 -0.000001 0.000001 27 C 2 ZZ -0.000004 -0.000169 -0.000006 0.000001 -0.000000 28 C 2 XY 0.000024 -0.000198 -0.000007 0.000002 -0.000000 29 C 2 XZ 0.000010 -0.000024 -0.000004 -0.000000 0.000001 30 C 2 YZ 0.000002 0.000046 -0.000001 0.000002 0.000001 31 C 3 S -0.000069 -0.000099 0.000044 -0.000002 -0.000000 32 C 3 S -0.000120 -0.000194 0.000074 -0.000003 -0.000001 33 C 3 S 0.002435 -0.000457 -0.000766 0.000360 0.000013 34 C 3 X 0.000024 -0.000103 0.000003 0.000002 -0.000004 35 C 3 Y 0.000025 0.000046 0.000005 0.000003 -0.000002 36 C 3 Z -0.000014 0.000058 -0.000006 0.000002 0.000006 37 C 3 X -0.001638 0.001270 0.000532 -0.000154 -0.000108 38 C 3 Y -0.000223 -0.003295 -0.000243 0.000134 -0.000013 39 C 3 Z -0.000111 -0.000195 0.000030 -0.000059 0.000014 40 C 3 XX 0.000002 0.000139 -0.000008 -0.000003 -0.000000 41 C 3 YY 0.000014 -0.000036 -0.000010 0.000002 -0.000002 42 C 3 ZZ -0.000016 -0.000103 0.000018 0.000000 0.000002 43 C 3 XY -0.000036 -0.000089 0.000005 -0.000008 -0.000005 44 C 3 XZ -0.000004 -0.000056 -0.000008 -0.000005 -0.000002 45 C 3 YZ -0.000012 0.000039 0.000002 -0.000000 -0.000003 46 C 4 S -0.000133 -0.000005 -0.000012 -0.000004 -0.000014 47 C 4 S -0.000226 0.000147 -0.000021 -0.000008 -0.000024 48 C 4 S 0.001752 0.002786 -0.000124 -0.000173 0.000211 49 C 4 X -0.000010 0.000169 0.000012 0.000007 0.000005 50 C 4 Y -0.000036 -0.000211 -0.000025 -0.000014 0.000002 51 C 4 Z -0.000020 -0.000107 -0.000005 0.000001 -0.000003 52 C 4 X -0.000247 -0.000089 -0.000084 0.000006 -0.000101 53 C 4 Y 0.000433 -0.000742 0.000277 -0.000035 0.000049 54 C 4 Z -0.000051 -0.002907 0.000309 0.000207 -0.000123 55 C 4 XX -0.000024 -0.000043 0.000003 -0.000003 -0.000002 56 C 4 YY 0.000069 0.000002 0.000004 0.000008 0.000005 57 C 4 ZZ -0.000044 0.000040 -0.000008 -0.000005 -0.000003 58 C 4 XY 0.000009 0.000194 0.000003 0.000005 0.000002 59 C 4 XZ -0.000023 0.000076 -0.000012 -0.000009 0.000004 60 C 4 YZ -0.000031 -0.000140 0.000004 0.000010 -0.000011 61 S 5 S 0.000005 0.000575 -0.000006 0.000000 -0.000000 62 S 5 S 0.000034 1.007276 -0.000040 0.000003 -0.000003 63 S 5 S 0.000037 0.005827 -0.000045 0.000004 -0.000003 64 S 5 S -0.000280 -0.021889 0.000245 0.000017 0.000014 65 S 5 X 0.000001 -0.005456 -0.000007 -0.000002 0.000001 66 S 5 Y -0.000007 -0.001047 0.000002 0.000003 -0.000000 67 S 5 Z -0.000003 0.000851 0.000001 0.000000 0.000000 68 S 5 X 0.000002 -0.001782 -0.000013 -0.000006 0.000000 69 S 5 Y -0.000025 0.000028 0.000003 0.000009 0.000000 70 S 5 Z -0.000012 0.000336 0.000003 -0.000000 0.000003 71 S 5 X 0.000133 0.006063 -0.000114 -0.000005 -0.000003 72 S 5 Y 0.000277 0.001268 0.000030 -0.000022 0.000010 73 S 5 Z -0.000008 -0.000699 0.000005 -0.000010 0.000013 74 S 5 XX 0.000003 -0.000351 0.000011 0.000006 -0.000002 75 S 5 YY -0.000003 -0.000197 0.000001 -0.000004 0.000001 76 S 5 ZZ -0.000001 0.000548 -0.000012 -0.000002 0.000002 77 S 5 XY -0.000034 -0.000031 -0.000008 0.000000 -0.000001 78 S 5 XZ 0.000006 0.000123 -0.000002 0.000003 -0.000005 79 S 5 YZ -0.000014 -0.000023 -0.000002 0.000001 0.000003 80 S 5 XX -0.000000 0.000110 -0.000001 -0.000001 0.000000 81 S 5 YY -0.000001 0.000604 -0.000000 0.000000 -0.000000 82 S 5 ZZ 0.000001 -0.000714 0.000001 0.000000 -0.000000 83 S 5 XY 0.000004 -0.000079 0.000001 -0.000000 0.000000 84 S 5 XZ -0.000000 -0.000225 0.000000 -0.000000 0.000000 85 S 5 YZ 0.000002 0.000186 0.000000 -0.000000 -0.000000 86 H 6 S -0.000007 -0.000119 0.000012 0.000003 0.000003 87 H 6 S 0.000009 -0.000526 0.000033 0.000012 0.000010 88 H 6 X -0.000010 -0.000047 -0.000003 0.000000 -0.000001 89 H 6 Y -0.000000 0.000102 0.000004 0.000001 0.000000 90 H 6 Z 0.000002 0.000015 0.000001 -0.000001 0.000000 91 C 7 S -0.000053 -0.000206 0.000098 0.000106 0.000003 92 C 7 S 0.000047 -0.000343 -0.000203 -0.000151 0.000008 93 C 7 S -0.002362 0.003906 -0.000294 -0.001251 -0.000184 94 C 7 X 0.000043 0.000005 0.000023 -0.000063 -0.000001 95 C 7 Y -0.000128 0.000009 -0.000322 -0.000266 0.000007 96 C 7 Z -0.000046 -0.000013 -0.000010 0.000003 0.000059 97 C 7 X 0.001800 0.001481 -0.000208 0.001065 0.000071 98 C 7 Y 0.007318 -0.002330 0.001763 0.000959 -0.000007 99 C 7 Z 0.000351 -0.000446 0.000185 -0.000240 -0.000119 100 C 7 XX 0.000202 0.000088 0.000105 0.000146 -0.000008 101 C 7 YY -0.000694 0.000043 -0.000109 -0.000199 0.000002 102 C 7 ZZ 0.000492 -0.000131 0.000004 0.000053 0.000006 103 C 7 XY -0.000212 -0.000105 -0.000016 -0.000064 -0.000016 104 C 7 XZ 0.000070 -0.000081 -0.000019 -0.000021 0.000007 105 C 7 YZ -0.000016 0.000017 -0.000007 0.000010 0.000063 106 C 8 S -0.000252 -0.000025 -0.000040 0.000086 0.000003 107 C 8 S -0.000307 -0.000038 0.000182 -0.000154 0.000008 108 C 8 S 0.003445 0.000762 -0.000151 0.000040 0.000038 109 C 8 X 0.000084 0.000038 -0.000213 0.000264 -0.000008 110 C 8 Y -0.000069 -0.000047 0.000052 0.000013 -0.000003 111 C 8 Z -0.000056 0.000018 0.000002 0.000017 0.000049 112 C 8 X -0.004628 -0.000089 0.000556 -0.000138 0.000073 113 C 8 Y 0.000052 -0.000866 -0.000131 -0.000386 0.000004 114 C 8 Z 0.000058 -0.000212 -0.000015 -0.000088 -0.000059 115 C 8 XX -0.000548 -0.000014 0.000057 -0.000168 -0.000001 116 C 8 YY 0.000216 0.000057 -0.000093 0.000154 0.000001 117 C 8 ZZ 0.000332 -0.000043 0.000036 0.000014 0.000001 118 C 8 XY 0.000063 -0.000051 -0.000027 0.000037 -0.000004 119 C 8 XZ -0.000022 0.000002 -0.000001 -0.000003 -0.000036 120 C 8 YZ -0.000002 0.000008 -0.000017 0.000020 0.000002 121 C 9 S -0.000289 0.000072 -0.000007 -0.000009 -0.000007 122 C 9 S -0.000552 0.000073 -0.000015 -0.000025 -0.000015 123 C 9 S 0.002625 -0.003426 0.000152 0.000089 -0.000033 124 C 9 X 0.000022 -0.000139 0.000012 0.000034 0.000006 125 C 9 Y -0.000126 0.000168 0.000010 -0.000020 -0.000014 126 C 9 Z 0.000077 0.000035 0.000005 -0.000018 0.000004 127 C 9 X -0.001030 0.003424 -0.000801 -0.000005 0.000063 128 C 9 Y 0.001463 0.000624 -0.000643 -0.000508 0.000215 129 C 9 Z 0.000117 -0.000119 -0.000240 -0.000041 -0.000059 130 C 9 XX 0.000234 -0.000023 0.000034 0.000004 -0.000005 131 C 9 YY -0.000041 0.000007 -0.000052 -0.000033 0.000001 132 C 9 ZZ -0.000193 0.000016 0.000018 0.000029 0.000004 133 C 9 XY 0.000092 0.000083 0.000018 0.000064 0.000004 134 C 9 XZ -0.000079 0.000026 -0.000011 0.000001 -0.000005 135 C 9 YZ -0.000008 -0.000109 -0.000014 -0.000018 0.000015 136 C 10 S -0.000037 0.000052 -0.000025 -0.000056 0.000003 137 C 10 S -0.000069 0.000083 -0.000038 -0.000087 0.000007 138 C 10 S 0.001982 -0.002379 0.001330 0.001515 0.000074 139 C 10 X -0.000016 -0.000030 -0.000005 0.000002 0.000007 140 C 10 Y -0.000039 -0.000016 0.000034 0.000006 0.000006 141 C 10 Z -0.000011 0.000014 0.000005 -0.000004 0.000003 142 C 10 X 0.005917 -0.001156 0.000745 0.001272 0.000143 143 C 10 Y 0.001823 0.000962 -0.001438 0.000283 0.000071 144 C 10 Z -0.001061 0.000043 -0.000215 -0.000166 0.000056 145 C 10 XX 0.000415 -0.000023 0.000061 0.000083 0.000009 146 C 10 YY -0.000306 0.000010 -0.000052 -0.000051 0.000000 147 C 10 ZZ -0.000109 0.000013 -0.000008 -0.000032 -0.000010 148 C 10 XY -0.000006 0.000028 -0.000050 -0.000015 0.000010 149 C 10 XZ -0.000160 0.000010 -0.000016 -0.000018 0.000017 150 C 10 YZ -0.000023 0.000023 0.000009 0.000002 0.000006 151 C 11 S -0.000060 -0.000160 0.000039 0.000014 0.000004 152 C 11 S -0.000097 -0.000277 0.000066 0.000021 0.000007 153 C 11 S -0.000359 0.003296 -0.000843 -0.000399 -0.000058 154 C 11 X 0.000001 -0.000058 -0.000010 0.000001 0.000001 155 C 11 Y 0.000000 0.000038 -0.000016 -0.000005 0.000001 156 C 11 Z 0.000015 -0.000030 0.000001 -0.000002 0.000010 157 C 11 X -0.002304 0.002205 0.000642 -0.000479 -0.000097 158 C 11 Y 0.002194 0.001018 -0.001079 -0.000077 0.000037 159 C 11 Z 0.000040 0.000312 0.000047 0.000038 -0.000045 160 C 11 XX -0.000056 0.000051 0.000021 -0.000006 -0.000003 161 C 11 YY 0.000120 0.000001 -0.000032 -0.000001 -0.000000 162 C 11 ZZ -0.000064 -0.000052 0.000011 0.000007 0.000003 163 C 11 XY -0.000103 0.000023 -0.000038 -0.000035 0.000000 164 C 11 XZ -0.000030 0.000002 -0.000000 -0.000002 -0.000002 165 C 11 YZ 0.000041 0.000016 0.000003 0.000007 -0.000003 166 C 12 S -0.000137 -0.000037 -0.000040 -0.000031 -0.000005 167 C 12 S -0.000258 -0.000064 -0.000068 -0.000057 -0.000009 168 C 12 S 0.003325 -0.000272 0.000802 0.000570 0.000092 169 C 12 X -0.000057 -0.000008 0.000010 -0.000017 0.000001 170 C 12 Y -0.000023 -0.000008 0.000024 -0.000001 -0.000000 171 C 12 Z 0.000001 0.000009 -0.000005 0.000000 0.000001 172 C 12 X 0.001134 0.000212 0.000201 0.000141 0.000006 173 C 12 Y -0.000323 0.000153 -0.000206 -0.000040 -0.000016 174 C 12 Z -0.000003 -0.000011 0.000020 -0.000001 -0.000029 175 C 12 XX -0.000104 0.000025 -0.000002 -0.000019 -0.000000 176 C 12 YY 0.000009 0.000004 -0.000003 0.000009 0.000001 177 C 12 ZZ 0.000094 -0.000029 0.000005 0.000010 -0.000001 178 C 12 XY -0.000100 -0.000042 0.000061 0.000003 0.000002 179 C 12 XZ -0.000003 0.000008 -0.000005 0.000002 0.000002 180 C 12 YZ -0.000059 -0.000022 0.000017 -0.000009 -0.000003 181 C 13 S -0.000000 -0.000066 0.000032 0.000002 -0.000001 182 C 13 S 0.000005 -0.000112 0.000052 0.000004 -0.000001 183 C 13 S 0.000026 0.000736 -0.000555 -0.000071 -0.000010 184 C 13 X 0.000021 0.000001 -0.000004 0.000001 -0.000000 185 C 13 Y -0.000006 0.000001 -0.000013 -0.000002 -0.000001 186 C 13 Z 0.000001 -0.000006 -0.000004 -0.000000 0.000000 187 C 13 X -0.000136 0.000130 -0.000150 -0.000005 0.000007 188 C 13 Y 0.000030 -0.000020 0.000031 0.000015 -0.000027 189 C 13 Z 0.000017 0.000233 -0.000140 -0.000031 -0.000018 190 C 13 XX 0.000046 0.000020 0.000011 0.000011 0.000001 191 C 13 YY -0.000010 -0.000008 -0.000010 -0.000007 -0.000002 192 C 13 ZZ -0.000035 -0.000012 -0.000001 -0.000004 0.000000 193 C 13 XY 0.000045 -0.000003 -0.000013 0.000005 -0.000000 194 C 13 XZ -0.000006 0.000005 -0.000004 -0.000001 -0.000000 195 C 13 YZ 0.000020 -0.000008 -0.000011 -0.000000 0.000000 196 C 14 S -0.000047 -0.000041 -0.000016 -0.000009 0.000002 197 C 14 S -0.000078 -0.000077 -0.000024 -0.000014 0.000003 198 C 14 S -0.000143 0.000860 0.000495 -0.000072 -0.000047 199 C 14 X -0.000022 -0.000023 0.000015 0.000002 -0.000000 200 C 14 Y -0.000004 0.000003 0.000008 -0.000002 -0.000000 201 C 14 Z -0.000002 0.000012 -0.000001 -0.000001 -0.000001 202 C 14 X 0.000123 0.000585 -0.000067 -0.000064 -0.000005 203 C 14 Y -0.000217 -0.000243 0.000306 0.000056 -0.000001 204 C 14 Z 0.000043 -0.000210 -0.000043 0.000004 0.000037 205 C 14 XX 0.000054 -0.000024 -0.000006 0.000007 0.000001 206 C 14 YY -0.000016 0.000009 -0.000002 -0.000000 -0.000001 207 C 14 ZZ -0.000038 0.000015 0.000007 -0.000007 -0.000001 208 C 14 XY -0.000026 0.000023 0.000011 0.000001 0.000000 209 C 14 XZ 0.000004 -0.000001 -0.000003 -0.000001 0.000000 210 C 14 YZ -0.000005 0.000036 -0.000001 -0.000002 -0.000002 211 F 15 S 0.000029 0.000002 0.000001 0.000005 -0.000000 212 F 15 S 0.000052 0.000005 0.000001 0.000009 -0.000000 213 F 15 S -0.000256 0.000006 -0.000044 -0.000046 0.000002 214 F 15 X 0.000003 0.000008 -0.000003 -0.000001 0.000001 215 F 15 Y 0.000018 0.000005 -0.000004 0.000002 -0.000001 216 F 15 Z 0.000004 -0.000000 0.000002 -0.000001 -0.000000 217 F 15 X -0.000037 -0.000046 0.000005 0.000000 -0.000003 218 F 15 Y -0.000063 -0.000023 0.000034 -0.000009 0.000002 219 F 15 Z 0.000118 -0.000015 0.000015 0.000021 0.000000 220 F 15 XX 0.000013 -0.000003 0.000003 0.000001 -0.000000 221 F 15 YY 0.000001 -0.000001 -0.000001 -0.000000 0.000000 222 F 15 ZZ -0.000014 0.000004 -0.000002 -0.000001 0.000000 223 F 15 XY -0.000012 -0.000003 0.000002 -0.000001 0.000000 224 F 15 XZ 0.000006 0.000000 0.000000 0.000001 0.000000 225 F 15 YZ 0.000001 0.000001 -0.000002 0.000000 -0.000000 226 F 16 S 0.000051 0.000014 -0.000004 0.000002 0.000002 227 F 16 S 0.000090 0.000025 -0.000005 0.000003 0.000004 228 F 16 S -0.000377 -0.000098 0.000053 -0.000041 -0.000015 229 F 16 X -0.000008 0.000004 0.000014 -0.000004 -0.000000 230 F 16 Y -0.000007 0.000002 0.000009 -0.000004 0.000000 231 F 16 Z 0.000002 -0.000002 0.000000 0.000001 -0.000001 232 F 16 X -0.000106 -0.000055 -0.000027 0.000011 -0.000002 233 F 16 Y 0.000147 0.000024 -0.000046 0.000035 0.000005 234 F 16 Z -0.000084 -0.000009 0.000011 -0.000016 0.000003 235 F 16 XX 0.000007 0.000002 -0.000002 0.000003 0.000000 236 F 16 YY -0.000011 -0.000002 0.000002 -0.000002 -0.000000 237 F 16 ZZ 0.000004 0.000000 -0.000000 -0.000001 0.000000 238 F 16 XY 0.000007 0.000004 -0.000003 0.000002 0.000000 239 F 16 XZ -0.000006 -0.000002 -0.000001 -0.000001 -0.000000 240 F 16 YZ 0.000007 0.000002 -0.000003 0.000001 -0.000000 241 F 17 S -0.000004 0.000030 0.000005 -0.000002 -0.000002 242 F 17 S -0.000008 0.000054 0.000009 -0.000003 -0.000003 243 F 17 S 0.000006 -0.000244 -0.000022 0.000016 0.000018 244 F 17 X -0.000005 -0.000003 0.000002 -0.000000 0.000001 245 F 17 Y -0.000002 0.000002 0.000004 0.000002 0.000001 246 F 17 Z 0.000004 -0.000001 -0.000002 -0.000001 0.000000 247 F 17 X 0.000017 -0.000014 -0.000010 -0.000000 0.000001 248 F 17 Y 0.000026 -0.000063 -0.000039 -0.000006 0.000004 249 F 17 Z -0.000013 -0.000054 0.000009 0.000007 0.000001 250 F 17 XX 0.000001 0.000006 -0.000001 -0.000000 -0.000000 251 F 17 YY 0.000002 -0.000003 -0.000002 -0.000000 0.000000 252 F 17 ZZ -0.000003 -0.000003 0.000003 0.000001 -0.000000 253 F 17 XY -0.000001 -0.000001 -0.000000 -0.000000 -0.000000 254 F 17 XZ 0.000000 -0.000002 -0.000000 0.000000 0.000000 255 F 17 YZ 0.000004 -0.000004 -0.000002 0.000000 0.000000 256 F 18 S 0.000013 -0.000005 0.000000 0.000002 0.000001 257 F 18 S 0.000025 -0.000009 -0.000000 0.000004 0.000002 258 F 18 S -0.000072 0.000040 -0.000013 -0.000012 -0.000012 259 F 18 X 0.000004 0.000006 0.000000 0.000001 -0.000001 260 F 18 Y 0.000001 -0.000004 0.000002 0.000001 -0.000001 261 F 18 Z -0.000003 -0.000004 0.000002 0.000000 0.000001 262 F 18 X -0.000029 -0.000031 -0.000003 -0.000005 -0.000000 263 F 18 Y -0.000005 0.000043 -0.000023 -0.000012 -0.000002 264 F 18 Z 0.000006 0.000024 0.000008 -0.000001 0.000001 265 F 18 XX -0.000001 0.000001 0.000000 -0.000001 0.000000 266 F 18 YY -0.000003 0.000001 0.000001 0.000000 -0.000000 267 F 18 ZZ 0.000004 -0.000002 -0.000001 0.000001 0.000000 268 F 18 XY -0.000002 0.000002 -0.000000 -0.000001 0.000000 269 F 18 XZ -0.000001 0.000003 0.000000 -0.000000 -0.000000 270 F 18 YZ -0.000003 -0.000002 0.000002 0.000001 0.000000 271 C 19 S -0.000124 -0.000014 -0.000026 -0.000017 0.000003 272 C 19 S -0.000249 -0.000025 -0.000045 -0.000026 0.000005 273 C 19 S 0.000771 0.000364 -0.000007 0.000291 -0.000037 274 C 19 X 0.000145 0.000010 0.000008 0.000008 0.000000 275 C 19 Y 0.000035 -0.000009 -0.000020 0.000008 -0.000001 276 C 19 Z 0.000016 -0.000003 -0.000004 -0.000000 -0.000003 277 C 19 X 0.000050 -0.000281 -0.000340 -0.000017 -0.000005 278 C 19 Y -0.000991 -0.000019 -0.000019 -0.000094 0.000018 279 C 19 Z -0.000305 0.000043 0.000011 0.000024 0.000036 280 C 19 XX -0.000083 0.000005 0.000068 -0.000026 0.000001 281 C 19 YY 0.000186 -0.000009 -0.000033 0.000021 0.000001 282 C 19 ZZ -0.000103 0.000003 -0.000035 0.000005 -0.000003 283 C 19 XY -0.000115 0.000008 0.000064 -0.000044 0.000002 284 C 19 XZ 0.000001 -0.000005 0.000011 -0.000008 0.000001 285 C 19 YZ 0.000046 -0.000001 0.000004 0.000000 -0.000011 286 H 20 S 0.000014 0.000023 0.000022 -0.000024 0.000003 287 H 20 S -0.000004 0.000088 0.000146 -0.000021 0.000001 288 H 20 X -0.000035 0.000002 0.000011 0.000003 0.000001 289 H 20 Y 0.000019 0.000010 -0.000001 0.000013 0.000002 290 H 20 Z 0.000016 -0.000004 -0.000002 -0.000001 -0.000004 291 H 21 S -0.000095 -0.000017 -0.000014 -0.000006 0.000002 292 H 21 S 0.000258 -0.000005 0.000064 0.000019 0.000006 293 H 21 X 0.000061 0.000009 0.000015 -0.000004 0.000002 294 H 21 Y 0.000017 -0.000011 -0.000021 -0.000004 0.000000 295 H 21 Z 0.000038 -0.000010 0.000015 -0.000009 -0.000004 296 C 22 S -0.000013 -0.000188 -0.000000 -0.000002 -0.000000 297 C 22 S -0.000023 -0.000360 -0.000000 -0.000003 -0.000001 298 C 22 S 0.000303 0.002114 -0.000029 0.000048 0.000012 299 C 22 X -0.000004 -0.000053 -0.000001 -0.000000 -0.000000 300 C 22 Y 0.000001 -0.000129 0.000001 0.000001 0.000000 301 C 22 Z 0.000002 -0.000013 0.000000 -0.000000 0.000000 302 C 22 X -0.000071 -0.001137 0.000004 -0.000006 -0.000004 303 C 22 Y 0.000111 0.000972 -0.000009 0.000016 0.000003 304 C 22 Z -0.000024 0.000193 -0.000001 0.000003 -0.000002 305 C 22 XX 0.000003 0.000200 -0.000001 -0.000000 0.000000 306 C 22 YY -0.000009 -0.000101 0.000001 0.000001 -0.000000 307 C 22 ZZ 0.000005 -0.000099 -0.000000 -0.000000 0.000000 308 C 22 XY -0.000007 -0.000086 -0.000001 0.000000 -0.000000 309 C 22 XZ -0.000002 -0.000033 0.000000 0.000000 -0.000001 310 C 22 YZ -0.000002 0.000015 -0.000000 0.000000 0.000000 311 H 23 S 0.000001 -0.000030 0.000001 -0.000002 -0.000000 312 H 23 S 0.000001 -0.000016 -0.000009 -0.000002 -0.000002 313 H 23 X 0.000002 0.000034 0.000000 -0.000000 -0.000000 314 H 23 Y 0.000004 0.000016 -0.000001 -0.000001 0.000000 315 H 23 Z 0.000003 -0.000013 -0.000000 -0.000000 0.000000 316 H 24 S -0.000011 -0.000155 -0.000002 -0.000002 -0.000000 317 H 24 S 0.000022 0.000386 0.000002 0.000001 -0.000001 318 H 24 X -0.000000 -0.000021 -0.000000 -0.000000 0.000000 319 H 24 Y -0.000003 -0.000058 -0.000001 0.000001 -0.000000 320 H 24 Z 0.000002 -0.000039 -0.000000 0.000000 0.000000 321 H 25 S -0.000025 -0.000130 -0.000001 -0.000001 -0.000001 322 H 25 S 0.000002 0.000416 0.000002 -0.000002 0.000002 323 H 25 X 0.000003 -0.000022 -0.000000 -0.000000 0.000000 324 H 25 Y -0.000001 -0.000063 -0.000001 0.000000 0.000000 325 H 25 Z -0.000002 0.000018 0.000000 -0.000000 -0.000000 326 C 26 S -0.000039 -0.000081 0.000010 0.000017 0.000011 327 C 26 S -0.000089 -0.000176 0.000017 0.000035 0.000019 328 C 26 S -0.000764 0.000014 -0.000226 -0.000085 -0.000073 329 C 26 X 0.000029 -0.000096 0.000000 -0.000008 -0.000005 330 C 26 Y -0.000074 0.000145 0.000004 0.000011 -0.000001 331 C 26 Z -0.000074 -0.000077 -0.000012 0.000006 -0.000002 332 C 26 X -0.000141 -0.000460 0.000104 0.000069 0.000029 333 C 26 Y -0.000530 -0.001230 0.000035 0.000036 -0.000046 334 C 26 Z 0.000929 0.001133 -0.000138 -0.000160 -0.000024 335 C 26 XX -0.000006 0.000023 0.000026 0.000021 0.000002 336 C 26 YY -0.000139 -0.000101 -0.000006 0.000006 -0.000001 337 C 26 ZZ 0.000145 0.000078 -0.000020 -0.000026 -0.000000 338 C 26 XY 0.000061 0.000063 -0.000014 0.000006 0.000002 339 C 26 XZ 0.000017 -0.000144 0.000003 0.000005 -0.000001 340 C 26 YZ 0.000019 0.000123 0.000019 0.000011 -0.000010 341 H 27 S 0.000033 -0.000229 0.000013 0.000000 0.000014 342 H 27 S -0.000135 -0.000471 0.000042 0.000033 0.000004 343 H 27 X 0.000021 -0.000099 -0.000003 -0.000011 -0.000001 344 H 27 Y 0.000003 0.000110 0.000004 0.000000 0.000005 345 H 27 Z -0.000057 -0.000109 -0.000006 0.000006 0.000004 346 H 28 S -0.000102 0.000412 0.000024 0.000028 0.000000 347 H 28 S 0.001531 0.000789 -0.000040 -0.000129 0.000011 348 H 28 X 0.000039 0.000041 0.000002 0.000001 0.000000 349 H 28 Y -0.000165 -0.000122 -0.000007 -0.000001 -0.000006 350 H 28 Z 0.000079 0.000047 0.000001 -0.000007 -0.000008 351 H 29 S 0.000152 -0.000378 -0.000012 -0.000019 0.000000 352 H 29 S 0.000225 0.001115 -0.000048 -0.000050 -0.000011 353 H 29 X -0.000056 -0.000051 0.000010 0.000007 -0.000001 354 H 29 Y 0.000041 0.000014 -0.000006 -0.000005 0.000002 355 H 29 Z -0.000014 0.000035 0.000002 -0.000001 0.000001 356 C 30 S 0.000047 -0.000483 0.000001 -0.000003 -0.000005 357 C 30 S 0.000080 -0.000891 0.000002 -0.000005 -0.000011 358 C 30 S -0.000733 0.002821 -0.000151 -0.000031 0.000039 359 C 30 X 0.000003 -0.000222 0.000001 -0.000002 0.000001 360 C 30 Y -0.000005 0.000169 0.000000 0.000002 -0.000002 361 C 30 Z 0.000019 0.000141 0.000007 0.000002 0.000004 362 C 30 X 0.000333 0.001715 -0.000045 -0.000021 0.000021 363 C 30 Y -0.000057 -0.001498 -0.000001 -0.000005 0.000010 364 C 30 Z 0.000050 -0.002114 0.000113 0.000060 -0.000039 365 C 30 XX 0.000000 -0.000028 0.000002 -0.000005 0.000001 366 C 30 YY 0.000000 -0.000052 0.000006 0.000007 -0.000003 367 C 30 ZZ -0.000001 0.000081 -0.000008 -0.000003 0.000002 368 C 30 XY 0.000042 -0.000144 -0.000014 -0.000006 -0.000000 369 C 30 XZ 0.000018 -0.000094 -0.000010 -0.000003 -0.000004 370 C 30 YZ 0.000034 0.000127 0.000002 -0.000009 0.000004 371 H 31 S 0.000091 -0.000499 -0.000001 -0.000017 0.000007 372 H 31 S 0.000034 0.000186 -0.000022 -0.000020 0.000017 373 H 31 X -0.000027 -0.000131 0.000005 0.000000 -0.000001 374 H 31 Y 0.000019 0.000096 -0.000001 -0.000006 0.000002 375 H 31 Z -0.000021 0.000027 0.000001 0.000005 -0.000003 376 H 32 S 0.000018 0.000149 0.000002 0.000012 -0.000010 377 H 32 S 0.000535 0.001296 -0.000075 -0.000063 0.000032 378 H 32 X 0.000072 0.000029 -0.000010 -0.000005 0.000002 379 H 32 Y -0.000049 -0.000010 0.000012 0.000007 0.000001 380 H 32 Z -0.000020 0.000052 -0.000000 -0.000001 0.000001 381 H 33 S -0.000000 -0.000400 0.000014 0.000011 -0.000006 382 H 33 S -0.000117 -0.000042 0.000018 0.000008 -0.000012 383 H 33 X 0.000005 -0.000196 -0.000004 -0.000004 0.000001 384 H 33 Y 0.000020 0.000157 -0.000005 0.000002 -0.000002 385 H 33 Z 0.000011 0.000111 -0.000000 -0.000005 0.000003 386 H 34 S -0.000071 -0.000039 -0.000024 -0.000013 0.000001 387 H 34 S 0.000493 -0.000035 0.000039 -0.000021 -0.000008 388 H 34 X 0.000070 0.000005 0.000014 -0.000006 -0.000003 389 H 34 Y 0.000007 -0.000013 -0.000015 -0.000002 -0.000003 390 H 34 Z -0.000033 0.000008 -0.000017 0.000009 -0.000004 391 F 35 S 0.000009 0.000009 -0.000008 -0.000001 -0.000001 392 F 35 S 0.000016 0.000016 -0.000015 -0.000002 -0.000002 393 F 35 S -0.000074 -0.000090 0.000056 0.000009 0.000006 394 F 35 X -0.000002 0.000000 -0.000003 -0.000000 -0.000000 395 F 35 Y 0.000000 0.000001 -0.000002 -0.000000 -0.000001 396 F 35 Z 0.000001 0.000003 -0.000003 0.000000 -0.000000 397 F 35 X -0.000024 -0.000044 0.000029 -0.000001 0.000001 398 F 35 Y -0.000004 -0.000010 0.000008 0.000001 0.000005 399 F 35 Z 0.000021 -0.000006 0.000014 0.000003 0.000002 400 F 35 XX -0.000004 -0.000003 0.000000 -0.000001 -0.000000 401 F 35 YY 0.000005 0.000003 0.000000 0.000001 0.000000 402 F 35 ZZ -0.000001 0.000000 -0.000001 0.000000 -0.000000 403 F 35 XY -0.000001 -0.000001 -0.000000 0.000000 0.000000 404 F 35 XZ 0.000005 0.000001 0.000001 0.000001 0.000000 405 F 35 YZ -0.000001 -0.000000 0.000001 0.000000 -0.000000 406 F 36 S -0.000004 0.000004 -0.000001 0.000000 0.000001 407 F 36 S -0.000007 0.000008 -0.000002 0.000000 0.000001 408 F 36 S 0.000041 -0.000021 0.000015 -0.000001 -0.000006 409 F 36 X -0.000003 0.000000 -0.000003 -0.000001 -0.000000 410 F 36 Y -0.000000 -0.000001 -0.000001 0.000000 0.000000 411 F 36 Z 0.000004 0.000006 -0.000001 0.000000 -0.000000 412 F 36 X 0.000030 -0.000009 0.000015 0.000003 0.000001 413 F 36 Y -0.000004 0.000003 0.000002 -0.000000 0.000001 414 F 36 Z 0.000016 -0.000035 0.000018 0.000003 -0.000000 415 F 36 XX -0.000001 0.000002 -0.000000 0.000000 0.000000 416 F 36 YY -0.000003 -0.000001 -0.000001 -0.000001 -0.000000 417 F 36 ZZ 0.000004 -0.000001 0.000001 0.000001 0.000000 418 F 36 XY 0.000001 -0.000000 0.000000 0.000000 -0.000000 419 F 36 XZ 0.000002 -0.000001 0.000000 0.000000 -0.000000 420 F 36 YZ -0.000001 -0.000001 -0.000001 -0.000000 -0.000000 421 C 37 S -0.000118 0.000147 -0.000010 -0.000001 0.000003 422 C 37 S -0.000230 0.000248 -0.000012 -0.000012 0.000004 423 C 37 S 0.000099 -0.002659 0.000521 -0.000242 -0.000160 424 C 37 X 0.000095 -0.000014 -0.000010 0.000025 0.000004 425 C 37 Y -0.000043 -0.000005 0.000020 -0.000051 0.000000 426 C 37 Z 0.000005 0.000010 0.000005 -0.000003 0.000018 427 C 37 X 0.001983 0.000662 -0.000531 0.000298 0.000044 428 C 37 Y 0.001105 0.000293 -0.000451 -0.000112 -0.000022 429 C 37 Z 0.000277 0.000210 -0.000120 -0.000039 0.000055 430 C 37 XX 0.000028 0.000086 0.000028 -0.000023 -0.000004 431 C 37 YY 0.000123 -0.000144 -0.000012 0.000008 -0.000001 432 C 37 ZZ -0.000150 0.000057 -0.000016 0.000015 0.000006 433 C 37 XY 0.000061 0.000045 -0.000037 0.000071 -0.000006 434 C 37 XZ -0.000032 0.000007 0.000002 0.000017 -0.000006 435 C 37 YZ -0.000009 -0.000078 0.000005 0.000002 0.000012 436 S 38 S 0.000510 -0.000001 0.000004 -0.000042 -0.000002 437 S 38 S 1.006786 -0.000005 0.000749 0.004964 0.000057 438 S 38 S 0.005162 -0.000010 -0.000154 -0.001805 -0.000018 439 S 38 S -0.022616 0.000420 -0.000562 0.000156 0.000081 440 S 38 X 0.003650 -0.000011 0.707936 -0.705895 -0.027611 441 S 38 Y -0.004811 -0.000003 0.705401 0.708340 -0.029564 442 S 38 Z -0.000123 0.000000 0.040438 0.001443 0.999067 443 S 38 X 0.001019 -0.000041 0.000712 0.000085 0.000066 444 S 38 Y -0.001320 -0.000004 0.000711 -0.000106 0.000011 445 S 38 Z -0.000050 0.000002 0.000035 -0.000030 -0.001414 446 S 38 X -0.003944 -0.000275 -0.000563 0.000354 0.000003 447 S 38 Y 0.005032 -0.000166 -0.000274 -0.000236 -0.000009 448 S 38 Z -0.000004 0.000075 -0.000039 0.000056 -0.000111 449 S 38 XX -0.000350 0.000002 0.000445 -0.000091 0.000007 450 S 38 YY -0.000238 -0.000002 -0.000481 -0.000085 0.000008 451 S 38 ZZ 0.000588 -0.000000 0.000036 0.000176 -0.000015 452 S 38 XY 0.000026 0.000104 -0.000087 0.000102 0.000008 453 S 38 XZ -0.000028 0.000005 0.000005 -0.000003 0.000027 454 S 38 YZ -0.000014 -0.000016 -0.000012 -0.000022 -0.000022 455 S 38 XX 0.000368 -0.000001 0.000647 -0.000065 -0.000026 456 S 38 YY 0.000325 -0.000000 -0.000721 -0.000435 0.000050 457 S 38 ZZ -0.000693 0.000001 0.000074 0.000501 -0.000024 458 S 38 XY 0.000325 -0.000011 -0.000083 0.001267 0.000016 459 S 38 XZ 0.000061 -0.000000 0.000011 0.000036 0.000724 460 S 38 YZ 0.000029 0.000002 -0.000040 -0.000018 -0.000941 461 H 39 S -0.000228 0.000031 0.000014 -0.000018 0.000004 462 H 39 S -0.000572 -0.000084 0.000119 -0.000118 -0.000006 463 H 39 X -0.000034 -0.000003 0.000022 -0.000017 -0.000002 464 H 39 Y -0.000083 -0.000011 0.000021 -0.000012 0.000003 465 H 39 Z -0.000024 0.000007 0.000005 -0.000001 -0.000004 31 32 33 34 35 -6.6565 -6.6553 -6.6532 -1.7006 -1.6795 A A A A A 1 C 1 S 0.000046 0.000085 0.000003 -0.000348 0.000085 2 C 1 S -0.000255 -0.000145 -0.000003 -0.000542 0.000092 3 C 1 S 0.000808 -0.000016 0.000114 0.008423 -0.003760 4 C 1 X -0.000193 -0.000109 0.000003 -0.000219 0.000114 5 C 1 Y -0.000213 -0.000234 -0.000010 0.000124 -0.000239 6 C 1 Z 0.000002 -0.000002 0.000025 0.000004 -0.000012 7 C 1 X 0.000046 -0.000371 -0.000143 -0.006264 0.002027 8 C 1 Y 0.000640 0.000549 -0.000017 -0.001334 0.005123 9 C 1 Z 0.000064 0.000029 -0.000095 0.000361 -0.000188 10 C 1 XX 0.000062 0.000050 0.000020 0.000453 -0.000207 11 C 1 YY -0.000015 -0.000062 -0.000021 -0.000165 0.000109 12 C 1 ZZ -0.000047 0.000012 0.000001 -0.000288 0.000098 13 C 1 XY -0.000128 -0.000172 -0.000002 -0.000078 0.000011 14 C 1 XZ -0.000016 -0.000011 0.000028 -0.000047 0.000062 15 C 1 YZ 0.000015 0.000007 0.000037 0.000006 -0.000005 16 C 2 S 0.000047 0.000016 0.000004 0.000223 -0.000137 17 C 2 S 0.000072 0.000018 0.000005 0.000713 -0.000842 18 C 2 S -0.001717 -0.000758 -0.000345 -0.005084 -0.005133 19 C 2 X -0.000026 -0.000051 -0.000007 -0.000071 0.000376 20 C 2 Y -0.000003 0.000000 -0.000004 0.000235 -0.000561 21 C 2 Z -0.000004 0.000006 -0.000016 -0.000028 -0.000076 22 C 2 X -0.000444 -0.000115 -0.000144 -0.006294 0.003428 23 C 2 Y -0.001159 -0.000409 -0.000072 0.006959 -0.010517 24 C 2 Z -0.000039 -0.000005 0.000025 0.000700 -0.000123 25 C 2 XX -0.000051 -0.000057 0.000000 -0.000679 0.000586 26 C 2 YY 0.000002 0.000037 -0.000001 0.000597 -0.000644 27 C 2 ZZ 0.000049 0.000020 0.000001 0.000083 0.000058 28 C 2 XY -0.000063 -0.000047 -0.000003 0.000027 0.000270 29 C 2 XZ 0.000008 -0.000001 0.000013 0.000079 -0.000002 30 C 2 YZ 0.000003 0.000002 -0.000011 -0.000048 0.000055 31 C 3 S -0.000033 0.000005 -0.000005 0.000116 -0.000712 32 C 3 S -0.000055 -0.000005 -0.000011 0.001571 -0.002912 33 C 3 S 0.000640 -0.000280 -0.000181 -0.008440 0.017256 34 C 3 X -0.000007 -0.000027 -0.000010 -0.000629 0.001359 35 C 3 Y 0.000022 -0.000016 0.000002 0.000267 0.000028 36 C 3 Z -0.000008 -0.000005 -0.000002 -0.000217 0.000202 37 C 3 X 0.001390 -0.000678 0.000467 -0.000635 -0.008475 38 C 3 Y -0.001326 -0.000582 -0.000263 0.003790 -0.011904 39 C 3 Z -0.000017 -0.000036 0.000016 0.000157 -0.002202 40 C 3 XX 0.000023 -0.000054 0.000001 0.000200 -0.000252 41 C 3 YY -0.000002 0.000028 -0.000002 -0.000480 0.000959 42 C 3 ZZ -0.000021 0.000026 0.000002 0.000280 -0.000707 43 C 3 XY -0.000001 -0.000038 0.000007 -0.000007 -0.000411 44 C 3 XZ -0.000003 -0.000005 0.000007 0.000082 -0.000281 45 C 3 YZ -0.000002 0.000008 0.000007 -0.000135 0.000052 46 C 4 S 0.000068 -0.000056 0.000000 -0.000423 -0.000158 47 C 4 S 0.000306 -0.000320 0.000001 -0.000562 -0.000352 48 C 4 S -0.000835 0.001181 0.000015 0.001835 0.004587 49 C 4 X 0.000201 -0.000172 0.000013 -0.000117 0.000132 50 C 4 Y -0.000106 0.000174 -0.000011 -0.000182 -0.000120 51 C 4 Z -0.000059 0.000069 0.000049 0.000028 -0.000140 52 C 4 X -0.000564 -0.000188 -0.000045 -0.001599 -0.001738 53 C 4 Y 0.000832 -0.000551 0.000278 -0.000462 -0.000214 54 C 4 Z 0.000359 -0.000307 -0.000031 0.000208 0.002583 55 C 4 XX 0.000024 -0.000044 0.000009 0.000337 -0.000288 56 C 4 YY -0.000022 0.000022 -0.000005 -0.000054 0.000261 57 C 4 ZZ -0.000002 0.000022 -0.000004 -0.000283 0.000027 58 C 4 XY -0.000015 0.000097 -0.000016 0.000164 0.000050 59 C 4 XZ -0.000004 0.000049 0.000030 -0.000007 -0.000110 60 C 4 YZ 0.000009 -0.000018 -0.000017 0.000042 0.000014 61 S 5 S -0.000002 -0.000042 -0.000003 -0.000040 0.000018 62 S 5 S 0.000507 0.004537 0.000195 -0.000287 0.000126 63 S 5 S -0.000179 -0.001699 -0.000073 -0.000324 0.000123 64 S 5 S 0.000133 0.000198 0.000139 0.001968 -0.001719 65 S 5 X -0.083524 0.972542 0.217435 0.000003 0.000021 66 S 5 Y 0.988304 0.109066 -0.108486 -0.000011 0.000035 67 S 5 Z 0.129269 -0.205832 0.969892 0.000000 -0.000011 68 S 5 X -0.000174 0.000053 -0.000331 -0.000002 0.000073 69 S 5 Y 0.001061 -0.000086 0.000168 -0.000037 0.000106 70 S 5 Z 0.000152 -0.000015 -0.001466 0.000004 -0.000032 71 S 5 X 0.000055 -0.000465 -0.000048 -0.000061 0.000253 72 S 5 Y -0.000840 -0.000048 -0.000029 -0.000691 0.001207 73 S 5 Z -0.000079 0.000137 0.000005 0.000003 -0.000008 74 S 5 XX 0.000118 -0.000167 -0.000011 -0.000159 0.000171 75 S 5 YY -0.000144 -0.000016 -0.000001 0.000230 -0.000156 76 S 5 ZZ 0.000026 0.000183 0.000012 -0.000071 -0.000015 77 S 5 XY -0.000475 0.000005 0.000001 -0.000036 -0.000143 78 S 5 XZ -0.000089 0.000079 -0.000039 0.000016 0.000049 79 S 5 YZ 0.000072 -0.000032 0.000015 0.000007 -0.000001 80 S 5 XX 0.000121 -0.001136 -0.000390 0.000008 -0.000010 81 S 5 YY -0.000205 0.000740 0.000074 -0.000011 0.000007 82 S 5 ZZ 0.000084 0.000396 0.000316 0.000003 0.000002 83 S 5 XY -0.000676 -0.000375 0.000069 0.000001 0.000006 84 S 5 XZ -0.000089 0.000318 -0.001018 -0.000001 -0.000002 85 S 5 YZ 0.000079 0.000117 -0.000217 0.000000 -0.000000 86 H 6 S -0.000030 0.000004 0.000001 -0.000135 -0.000187 87 H 6 S -0.000311 -0.000120 -0.000033 0.003988 -0.005757 88 H 6 X 0.000004 -0.000005 0.000004 0.000347 -0.000320 89 H 6 Y 0.000052 0.000024 0.000001 0.000118 -0.000256 90 H 6 Z 0.000002 -0.000000 -0.000006 -0.000076 0.000060 91 C 7 S 0.000026 -0.000007 -0.000009 0.000314 0.000789 92 C 7 S 0.000045 -0.000015 -0.000015 0.002150 0.003559 93 C 7 S -0.000144 0.000117 0.000284 -0.014050 -0.014610 94 C 7 X 0.000006 -0.000014 0.000006 -0.000968 -0.001892 95 C 7 Y -0.000017 0.000017 -0.000005 -0.000134 0.000056 96 C 7 Z 0.000010 -0.000002 0.000005 -0.000044 0.000251 97 C 7 X 0.000115 -0.000259 0.000137 0.005961 0.022256 98 C 7 Y 0.000362 -0.000307 -0.000118 0.002848 -0.002728 99 C 7 Z -0.000019 0.000053 -0.000025 -0.001072 -0.003575 100 C 7 XX -0.000010 0.000001 0.000007 0.000219 0.000275 101 C 7 YY 0.000002 -0.000001 0.000002 -0.000437 -0.000812 102 C 7 ZZ 0.000008 -0.000000 -0.000009 0.000219 0.000536 103 C 7 XY 0.000008 0.000014 -0.000006 0.000072 -0.000449 104 C 7 XZ 0.000014 -0.000003 -0.000004 0.000383 0.000335 105 C 7 YZ 0.000001 -0.000002 0.000003 0.000124 0.000074 106 C 8 S -0.000028 -0.000003 0.000006 -0.000240 -0.000002 107 C 8 S -0.000048 -0.000006 0.000010 -0.000395 0.000019 108 C 8 S 0.000632 0.000167 -0.000144 0.002855 -0.001925 109 C 8 X 0.000002 -0.000003 0.000001 0.000057 -0.000006 110 C 8 Y -0.000015 -0.000003 0.000000 -0.000108 -0.000134 111 C 8 Z 0.000003 -0.000001 0.000003 0.000007 0.000001 112 C 8 X 0.000234 0.000106 -0.000039 -0.002479 -0.003055 113 C 8 Y -0.000373 -0.000085 0.000095 0.000727 0.005819 114 C 8 Z -0.000067 -0.000003 -0.000000 -0.000226 0.000446 115 C 8 XX -0.000006 -0.000000 0.000002 0.000202 0.000232 116 C 8 YY 0.000026 0.000002 -0.000003 -0.000108 -0.000287 117 C 8 ZZ -0.000020 -0.000002 0.000001 -0.000094 0.000054 118 C 8 XY -0.000016 0.000000 0.000000 -0.000042 0.000020 119 C 8 XZ -0.000002 -0.000001 0.000000 0.000030 0.000063 120 C 8 YZ 0.000007 -0.000001 -0.000001 -0.000001 -0.000050 121 C 9 S -0.000028 0.000008 0.000013 -0.000456 0.000178 122 C 9 S -0.000046 0.000017 0.000018 -0.000630 0.000416 123 C 9 S -0.000110 -0.000074 -0.000371 0.001370 -0.009119 124 C 9 X -0.000009 0.000007 -0.000010 0.000049 0.000052 125 C 9 Y 0.000010 -0.000015 0.000018 0.000225 0.000113 126 C 9 Z 0.000017 -0.000017 0.000000 0.000101 -0.000009 127 C 9 X -0.000095 -0.000123 0.000218 -0.004598 0.002235 128 C 9 Y -0.000461 0.000355 -0.000029 -0.002545 -0.006471 129 C 9 Z -0.000307 0.000109 -0.000143 0.000077 -0.002163 130 C 9 XX 0.000002 0.000013 -0.000002 0.000413 0.000348 131 C 9 YY 0.000035 -0.000023 -0.000004 -0.000206 -0.000238 132 C 9 ZZ -0.000037 0.000010 0.000005 -0.000206 -0.000109 133 C 9 XY -0.000066 0.000013 0.000005 -0.000110 0.000294 134 C 9 XZ 0.000006 -0.000015 0.000010 -0.000153 -0.000021 135 C 9 YZ -0.000006 0.000015 0.000000 -0.000071 -0.000096 136 C 10 S -0.000005 0.000020 -0.000002 -0.001471 -0.001007 137 C 10 S -0.000006 0.000031 -0.000005 0.010793 0.012108 138 C 10 S 0.000350 -0.000809 -0.000010 0.030221 0.028302 139 C 10 X 0.000008 -0.000007 0.000002 -0.010185 -0.012573 140 C 10 Y 0.000004 0.000008 -0.000001 0.001675 0.006690 141 C 10 Z 0.000004 -0.000002 0.000008 0.000855 0.002298 142 C 10 X 0.000057 -0.000256 -0.000127 -0.004088 -0.018727 143 C 10 Y 0.000012 0.000163 0.000061 0.013572 0.039139 144 C 10 Z -0.000042 0.000048 0.000016 0.002043 0.001023 145 C 10 XX 0.000007 -0.000005 0.000002 0.003738 0.005712 146 C 10 YY 0.000001 -0.000010 -0.000002 -0.001295 -0.002481 147 C 10 ZZ -0.000008 0.000016 0.000000 -0.002443 -0.003231 148 C 10 XY 0.000004 -0.000000 0.000001 -0.001686 -0.003787 149 C 10 XZ 0.000001 0.000005 0.000000 -0.000570 -0.001380 150 C 10 YZ 0.000004 -0.000000 0.000001 0.000634 0.000968 151 C 11 S -0.000024 -0.000010 -0.000018 -0.001393 0.000372 152 C 11 S -0.000040 -0.000018 -0.000030 0.009602 -0.010173 153 C 11 S 0.001193 0.000022 0.000562 0.026484 -0.007312 154 C 11 X 0.000007 -0.000017 0.000001 -0.008565 0.009428 155 C 11 Y 0.000002 -0.000012 0.000000 -0.002337 0.007455 156 C 11 Z 0.000002 -0.000001 0.000001 -0.000278 0.000074 157 C 11 X 0.000579 0.000272 0.000287 -0.011759 0.013759 158 C 11 Y -0.000276 0.000598 -0.000110 -0.008323 0.034754 159 C 11 Z 0.000039 -0.000006 0.000014 0.000677 0.001873 160 C 11 XX 0.000020 -0.000011 0.000010 0.002735 -0.003859 161 C 11 YY -0.000017 0.000019 -0.000002 -0.000362 0.001272 162 C 11 ZZ -0.000004 -0.000008 -0.000009 -0.002373 0.002586 163 C 11 XY 0.000007 -0.000008 -0.000002 0.002076 -0.004331 164 C 11 XZ 0.000000 -0.000003 -0.000001 0.000388 -0.000595 165 C 11 YZ 0.000002 -0.000001 -0.000001 -0.000116 0.000618 166 C 12 S 0.000002 -0.000002 -0.000000 -0.002919 -0.001923 167 C 12 S 0.000003 -0.000002 -0.000001 0.085270 0.121921 168 C 12 S -0.000045 0.000016 -0.000087 0.011327 -0.038346 169 C 12 X -0.000000 0.000003 -0.000003 -0.023930 -0.025191 170 C 12 Y 0.000001 0.000000 0.000000 0.015387 0.054807 171 C 12 Z -0.000001 -0.000001 0.000000 0.003504 0.019492 172 C 12 X -0.000021 -0.000022 -0.000018 -0.016813 -0.008742 173 C 12 Y -0.000007 -0.000053 0.000001 -0.006347 0.006172 174 C 12 Z 0.000046 -0.000030 0.000026 -0.004683 0.008356 175 C 12 XX -0.000004 0.000004 -0.000001 -0.007409 -0.012840 176 C 12 YY 0.000004 -0.000003 0.000001 0.004195 0.003231 177 C 12 ZZ 0.000000 -0.000001 -0.000001 0.003213 0.009609 178 C 12 XY -0.000002 -0.000001 -0.000002 0.001006 -0.008002 179 C 12 XZ 0.000002 -0.000000 -0.000001 0.001687 -0.002502 180 C 12 YZ -0.000003 0.000003 -0.000001 -0.002089 -0.009508 181 C 13 S -0.000009 0.000011 -0.000004 -0.004922 0.000117 182 C 13 S -0.000015 0.000018 -0.000007 0.142623 -0.019163 183 C 13 S 0.000076 -0.000175 0.000036 0.010505 0.011519 184 C 13 X 0.000000 -0.000002 -0.000000 -0.043671 0.008206 185 C 13 Y -0.000001 0.000003 0.000001 0.000830 0.025489 186 C 13 Z 0.000002 -0.000001 0.000001 -0.027464 0.009214 187 C 13 X 0.000065 -0.000058 0.000027 0.000091 0.001978 188 C 13 Y 0.000020 0.000009 0.000020 0.002231 0.026383 189 C 13 Z -0.000022 -0.000024 -0.000005 -0.000001 0.004644 190 C 13 XX 0.000005 0.000000 0.000001 0.004683 -0.001933 191 C 13 YY -0.000003 -0.000003 -0.000001 -0.011661 0.003291 192 C 13 ZZ -0.000002 0.000002 -0.000001 0.006978 -0.001358 193 C 13 XY -0.000001 0.000003 0.000000 0.002329 0.006555 194 C 13 XZ 0.000001 -0.000000 0.000001 -0.007104 0.001761 195 C 13 YZ -0.000001 0.000001 0.000000 -0.002137 0.006009 196 C 14 S 0.000001 -0.000008 0.000001 -0.002551 0.002021 197 C 14 S -0.000000 -0.000013 0.000002 0.075381 -0.101392 198 C 14 S 0.000032 0.000381 0.000020 0.009295 0.020545 199 C 14 X -0.000006 0.000018 -0.000001 -0.020157 0.017412 200 C 14 Y -0.000000 -0.000000 0.000000 -0.014538 0.046308 201 C 14 Z -0.000002 0.000001 0.000000 -0.001220 -0.003881 202 C 14 X -0.000041 0.000086 -0.000021 -0.020196 0.010088 203 C 14 Y 0.000012 0.000064 0.000012 0.005533 0.000712 204 C 14 Z 0.000017 -0.000023 -0.000005 -0.005245 -0.001844 205 C 14 XX -0.000013 0.000008 -0.000005 -0.005674 0.010971 206 C 14 YY 0.000006 -0.000006 0.000003 0.002747 -0.001591 207 C 14 ZZ 0.000007 -0.000001 0.000002 0.002927 -0.009379 208 C 14 XY -0.000000 -0.000003 -0.000001 -0.003737 -0.002991 209 C 14 XZ -0.000002 0.000000 -0.000000 0.000477 0.002585 210 C 14 YZ 0.000003 -0.000003 0.000002 0.001168 -0.004583 211 F 15 S 0.000002 -0.000001 0.000001 -0.002417 -0.003991 212 F 15 S 0.000004 -0.000002 0.000002 0.129523 0.221955 213 F 15 S -0.000015 0.000007 -0.000009 0.145178 0.251060 214 F 15 X -0.000000 0.000000 -0.000001 0.004457 0.009163 215 F 15 Y 0.000001 -0.000001 0.000001 -0.002009 0.000369 216 F 15 Z 0.000000 -0.000000 0.000001 -0.026266 -0.041001 217 F 15 X 0.000002 -0.000001 -0.000002 0.003900 0.005725 218 F 15 Y -0.000001 0.000007 0.000000 -0.000427 0.000781 219 F 15 Z 0.000000 -0.000001 0.000001 -0.014734 -0.025126 220 F 15 XX -0.000000 -0.000000 -0.000000 -0.001569 -0.002390 221 F 15 YY -0.000000 0.000000 0.000000 -0.001680 -0.002642 222 F 15 ZZ 0.000000 -0.000000 0.000000 0.003249 0.005032 223 F 15 XY -0.000000 0.000000 -0.000000 0.000026 -0.000016 224 F 15 XZ -0.000000 0.000000 0.000000 -0.001181 -0.002014 225 F 15 YZ -0.000000 -0.000000 -0.000000 0.000357 0.000127 226 F 16 S -0.000002 0.000001 -0.000001 -0.002430 -0.004675 227 F 16 S -0.000004 0.000002 -0.000002 0.149117 0.266130 228 F 16 S 0.000015 -0.000003 0.000012 0.163996 0.301389 229 F 16 X -0.000001 0.000001 0.000000 0.005885 0.011460 230 F 16 Y -0.000001 -0.000001 -0.000000 -0.025320 -0.039203 231 F 16 Z 0.000000 -0.000001 -0.000000 0.013874 0.025181 232 F 16 X 0.000005 -0.000004 0.000002 0.004193 0.007180 233 F 16 Y 0.000002 0.000007 -0.000003 -0.013380 -0.022381 234 F 16 Z -0.000003 0.000008 -0.000001 0.007789 0.015315 235 F 16 XX 0.000000 -0.000001 0.000000 -0.001623 -0.002481 236 F 16 YY -0.000000 -0.000000 0.000000 0.002168 0.003148 237 F 16 ZZ -0.000000 0.000001 -0.000000 -0.000545 -0.000667 238 F 16 XY 0.000000 -0.000000 0.000000 -0.001141 -0.002001 239 F 16 XZ -0.000000 0.000000 -0.000000 0.000747 0.001320 240 F 16 YZ 0.000001 -0.000000 0.000000 -0.002560 -0.004455 241 F 17 S -0.000001 0.000001 0.000000 -0.002163 0.003759 242 F 17 S -0.000001 0.000001 -0.000000 0.126823 -0.214557 243 F 17 S 0.000003 -0.000010 -0.000001 0.140035 -0.242529 244 F 17 X -0.000002 -0.000000 -0.000001 0.000911 -0.003008 245 F 17 Y 0.000001 0.000001 0.000000 0.019197 -0.027967 246 F 17 Z 0.000000 0.000000 -0.000000 0.016410 -0.027034 247 F 17 X 0.000007 0.000005 0.000003 0.001675 -0.002492 248 F 17 Y -0.000010 -0.000008 -0.000003 0.010418 -0.015255 249 F 17 Z -0.000004 -0.000001 -0.000000 0.009233 -0.016701 250 F 17 XX 0.000000 0.000000 0.000000 -0.001635 0.002446 251 F 17 YY -0.000000 -0.000001 -0.000000 0.001143 -0.001400 252 F 17 ZZ -0.000000 0.000000 0.000000 0.000492 -0.001046 253 F 17 XY -0.000000 0.000001 -0.000000 0.000195 -0.000478 254 F 17 XZ -0.000000 0.000000 -0.000000 0.000310 -0.000545 255 F 17 YZ -0.000001 0.000000 -0.000000 0.002674 -0.004249 256 F 18 S 0.000001 -0.000002 -0.000001 -0.002182 0.003370 257 F 18 S 0.000002 -0.000004 -0.000001 0.113390 -0.182045 258 F 18 S -0.000011 0.000002 0.000004 0.127437 -0.206309 259 F 18 X -0.000001 -0.000001 -0.000000 0.004336 -0.008559 260 F 18 Y 0.000000 0.000000 -0.000001 0.007637 -0.008585 261 F 18 Z -0.000000 0.000000 0.000000 -0.021916 0.032700 262 F 18 X 0.000005 0.000007 0.000003 0.004150 -0.005441 263 F 18 Y -0.000001 -0.000004 0.000001 0.003697 -0.003976 264 F 18 Z 0.000005 0.000005 0.000000 -0.012269 0.019948 265 F 18 XX -0.000000 0.000002 -0.000000 -0.001311 0.001873 266 F 18 YY 0.000000 -0.000001 0.000000 -0.001079 0.001709 267 F 18 ZZ -0.000000 -0.000001 -0.000000 0.002390 -0.003582 268 F 18 XY -0.000000 0.000000 0.000000 0.000253 -0.000434 269 F 18 XZ 0.000000 -0.000000 -0.000000 -0.001141 0.001808 270 F 18 YZ 0.000000 0.000000 0.000000 -0.001540 0.001933 271 C 19 S -0.000007 -0.000001 0.000000 -0.000067 0.000005 272 C 19 S -0.000014 -0.000002 0.000001 -0.000124 0.000007 273 C 19 S 0.000030 -0.000016 -0.000006 -0.000078 -0.001913 274 C 19 X 0.000005 0.000002 -0.000001 0.000061 0.000074 275 C 19 Y 0.000007 0.000002 -0.000001 0.000048 0.000037 276 C 19 Z 0.000001 0.000001 -0.000000 0.000003 0.000002 277 C 19 X -0.000057 -0.000014 0.000016 -0.000061 0.000710 278 C 19 Y 0.000018 0.000017 -0.000003 -0.000492 -0.000028 279 C 19 Z 0.000012 -0.000005 0.000003 0.000084 0.000138 280 C 19 XX 0.000012 0.000005 -0.000002 -0.000075 -0.000135 281 C 19 YY -0.000005 -0.000003 0.000002 0.000084 0.000119 282 C 19 ZZ -0.000006 -0.000002 0.000001 -0.000009 0.000015 283 C 19 XY -0.000001 -0.000000 -0.000000 -0.000020 -0.000032 284 C 19 XZ -0.000001 0.000000 -0.000001 -0.000012 -0.000015 285 C 19 YZ -0.000001 -0.000001 -0.000001 0.000010 0.000021 286 H 20 S -0.000002 0.000000 0.000000 0.000048 0.000130 287 H 20 S 0.000023 0.000004 -0.000011 0.000286 0.000000 288 H 20 X 0.000005 0.000002 -0.000000 -0.000067 -0.000089 289 H 20 Y 0.000001 0.000000 -0.000000 -0.000013 -0.000019 290 H 20 Z -0.000001 0.000001 -0.000000 -0.000013 -0.000012 291 H 21 S 0.000004 -0.000000 -0.000001 -0.000041 -0.000018 292 H 21 S -0.000005 -0.000004 0.000002 0.000305 0.000336 293 H 21 X 0.000001 -0.000000 -0.000000 0.000029 0.000034 294 H 21 Y -0.000003 -0.000001 0.000001 0.000027 0.000046 295 H 21 Z -0.000001 0.000000 -0.000000 0.000025 0.000035 296 C 22 S 0.000029 -0.000026 0.000003 -0.000101 0.000018 297 C 22 S 0.000051 -0.000040 0.000006 -0.000191 0.000042 298 C 22 S 0.000088 0.000476 -0.000003 -0.000069 0.002471 299 C 22 X 0.000023 -0.000006 -0.000002 0.000040 -0.000077 300 C 22 Y -0.000007 -0.000005 0.000004 -0.000125 0.000119 301 C 22 Z -0.000000 -0.000001 -0.000001 -0.000013 0.000014 302 C 22 X -0.000148 -0.000080 0.000018 0.000932 -0.000698 303 C 22 Y -0.000292 0.000169 0.000003 0.000448 0.001077 304 C 22 Z -0.000037 0.000028 0.000053 -0.000005 0.000105 305 C 22 XX 0.000064 0.000037 -0.000001 -0.000012 -0.000032 306 C 22 YY -0.000103 -0.000039 0.000001 0.000078 -0.000042 307 C 22 ZZ 0.000039 0.000002 0.000000 -0.000067 0.000074 308 C 22 XY -0.000016 -0.000008 -0.000000 0.000139 -0.000133 309 C 22 XZ -0.000005 -0.000003 -0.000011 0.000008 -0.000008 310 C 22 YZ -0.000007 -0.000001 0.000005 -0.000004 0.000008 311 H 23 S -0.000027 -0.000020 0.000001 0.000056 -0.000034 312 H 23 S -0.000149 -0.000008 0.000002 0.000212 0.000395 313 H 23 X 0.000009 0.000011 0.000001 -0.000021 0.000047 314 H 23 Y 0.000003 -0.000011 -0.000002 -0.000072 0.000064 315 H 23 Z 0.000001 -0.000002 -0.000006 -0.000004 -0.000000 316 H 24 S 0.000028 -0.000023 0.000008 -0.000014 -0.000093 317 H 24 S -0.000043 -0.000001 -0.000018 -0.000080 0.000089 318 H 24 X 0.000020 -0.000002 -0.000001 -0.000053 0.000011 319 H 24 Y 0.000008 0.000005 0.000005 0.000011 -0.000010 320 H 24 Z 0.000019 0.000009 -0.000003 0.000003 0.000018 321 H 25 S 0.000017 -0.000023 -0.000004 0.000000 -0.000109 322 H 25 S -0.000077 0.000030 0.000019 -0.000060 0.000007 323 H 25 X 0.000022 -0.000004 -0.000002 -0.000062 0.000027 324 H 25 Y 0.000007 0.000008 0.000001 0.000016 -0.000024 325 H 25 Z -0.000022 -0.000007 -0.000004 0.000003 -0.000028 326 C 26 S -0.000018 0.000020 -0.000002 -0.000037 -0.000034 327 C 26 S -0.000033 0.000039 -0.000003 -0.000048 -0.000038 328 C 26 S -0.000111 0.000033 -0.000044 -0.001445 -0.000389 329 C 26 X 0.000000 0.000006 -0.000005 0.000087 0.000021 330 C 26 Y 0.000013 -0.000013 0.000003 -0.000036 0.000011 331 C 26 Z -0.000018 0.000018 -0.000002 -0.000131 0.000034 332 C 26 X -0.000025 -0.000014 -0.000018 0.000476 -0.000167 333 C 26 Y -0.000039 0.000072 -0.000052 0.001126 0.000533 334 C 26 Z -0.000057 -0.000017 0.000033 0.000344 -0.000458 335 C 26 XX -0.000014 -0.000004 0.000007 -0.000002 0.000007 336 C 26 YY 0.000013 -0.000004 -0.000010 -0.000044 0.000016 337 C 26 ZZ 0.000001 0.000008 0.000002 0.000046 -0.000023 338 C 26 XY -0.000010 0.000000 0.000007 0.000042 0.000090 339 C 26 XZ -0.000000 0.000003 -0.000009 0.000144 0.000051 340 C 26 YZ -0.000002 -0.000012 0.000016 0.000128 0.000107 341 H 27 S -0.000008 0.000028 -0.000008 -0.000073 -0.000084 342 H 27 S -0.000046 0.000006 -0.000025 0.001848 -0.000077 343 H 27 X -0.000006 0.000009 -0.000007 0.000042 -0.000054 344 H 27 Y 0.000004 -0.000009 0.000003 0.000032 -0.000028 345 H 27 Z -0.000009 0.000012 -0.000004 0.000055 -0.000038 346 H 28 S 0.000000 -0.000022 0.000025 0.000008 -0.000046 347 H 28 S 0.000011 -0.000051 0.000036 -0.000335 -0.000401 348 H 28 X 0.000004 -0.000002 0.000002 0.000039 0.000050 349 H 28 Y 0.000006 0.000007 -0.000012 -0.000068 -0.000021 350 H 28 Z -0.000001 -0.000003 0.000002 -0.000059 -0.000020 351 H 29 S 0.000015 0.000026 -0.000023 0.000240 0.000004 352 H 29 S -0.000006 0.000020 0.000027 0.000281 -0.000005 353 H 29 X 0.000008 -0.000001 -0.000005 -0.000080 -0.000025 354 H 29 Y -0.000010 -0.000006 0.000009 -0.000011 -0.000011 355 H 29 Z 0.000011 0.000013 -0.000011 0.000039 -0.000046 356 C 30 S -0.000015 0.000011 0.000021 -0.000053 0.000077 357 C 30 S -0.000023 0.000019 0.000044 -0.000056 0.000114 358 C 30 S -0.000002 -0.000000 -0.000079 -0.000288 -0.002471 359 C 30 X -0.000007 0.000005 0.000009 0.000013 -0.000002 360 C 30 Y -0.000005 0.000001 -0.000014 0.000001 0.000003 361 C 30 Z -0.000014 0.000013 -0.000018 0.000007 0.000150 362 C 30 X 0.000209 -0.000089 -0.000084 0.000286 0.000293 363 C 30 Y -0.000190 0.000128 0.000032 -0.000084 0.000227 364 C 30 Z 0.000021 0.000055 0.000067 0.000013 0.000736 365 C 30 XX 0.000011 0.000019 0.000006 0.000019 0.000037 366 C 30 YY -0.000007 -0.000004 -0.000003 -0.000043 0.000010 367 C 30 ZZ -0.000004 -0.000015 -0.000003 0.000024 -0.000046 368 C 30 XY -0.000026 0.000004 0.000005 0.000028 0.000007 369 C 30 XZ -0.000063 0.000026 0.000008 -0.000017 -0.000043 370 C 30 YZ 0.000052 -0.000038 0.000003 0.000071 0.000018 371 H 31 S 0.000008 0.000013 0.000031 0.000068 0.000162 372 H 31 S -0.000143 -0.000016 0.000005 -0.000170 0.000134 373 H 31 X -0.000007 -0.000006 0.000015 -0.000010 -0.000029 374 H 31 Y 0.000008 -0.000005 -0.000005 0.000027 0.000026 375 H 31 Z -0.000002 0.000019 -0.000018 0.000019 -0.000024 376 H 32 S -0.000013 -0.000015 -0.000010 0.000046 0.000134 377 H 32 S 0.000127 -0.000071 -0.000061 0.000419 0.000427 378 H 32 X -0.000019 0.000001 -0.000002 0.000012 -0.000004 379 H 32 Y 0.000013 -0.000005 0.000002 -0.000015 -0.000001 380 H 32 Z 0.000003 0.000003 0.000003 -0.000047 -0.000067 381 H 33 S -0.000018 0.000015 0.000013 0.000010 0.000090 382 H 33 S 0.000007 0.000015 0.000026 -0.000068 -0.000061 383 H 33 X -0.000011 0.000007 0.000011 0.000008 -0.000007 384 H 33 Y -0.000008 -0.000006 -0.000010 0.000001 0.000001 385 H 33 Z -0.000008 -0.000013 -0.000010 -0.000020 -0.000011 386 H 34 S 0.000001 0.000003 -0.000001 -0.000059 -0.000051 387 H 34 S -0.000008 0.000002 -0.000000 0.000124 0.000214 388 H 34 X -0.000000 0.000001 -0.000000 0.000024 0.000029 389 H 34 Y -0.000004 -0.000002 0.000001 0.000041 0.000063 390 H 34 Z -0.000001 -0.000001 -0.000000 -0.000009 -0.000014 391 F 35 S -0.000001 -0.000002 -0.000000 -0.004065 0.000770 392 F 35 S -0.000002 -0.000004 -0.000000 0.253107 -0.041111 393 F 35 S 0.000011 0.000014 0.000003 0.279028 -0.046979 394 F 35 X 0.000001 -0.000001 0.000000 0.046565 -0.006940 395 F 35 Y -0.000000 0.000001 -0.000000 0.004908 0.002497 396 F 35 Z 0.000001 -0.000001 0.000000 -0.019198 0.003600 397 F 35 X -0.000007 0.000011 -0.000003 0.024766 -0.004167 398 F 35 Y -0.000001 -0.000004 -0.000002 0.002575 -0.001693 399 F 35 Z -0.000002 0.000003 -0.000001 -0.011424 0.001746 400 F 35 XX -0.000001 0.000000 -0.000000 0.004898 -0.000751 401 F 35 YY 0.000000 -0.000000 0.000000 -0.003085 0.000492 402 F 35 ZZ 0.000000 -0.000000 0.000000 -0.001813 0.000259 403 F 35 XY -0.000000 -0.000000 -0.000000 0.000973 0.000136 404 F 35 XZ 0.000000 0.000000 0.000000 -0.003864 0.000654 405 F 35 YZ 0.000000 0.000000 0.000000 -0.000393 0.000079 406 F 36 S 0.000002 -0.000001 0.000001 -0.004285 0.000713 407 F 36 S 0.000004 -0.000001 0.000002 0.246123 -0.041246 408 F 36 S -0.000021 0.000009 -0.000008 0.274404 -0.046716 409 F 36 X -0.000000 -0.000001 0.000000 -0.001875 0.000375 410 F 36 Y 0.000000 -0.000000 0.000000 -0.004309 0.004177 411 F 36 Z -0.000000 -0.000000 0.000000 0.048587 -0.007059 412 F 36 X -0.000002 0.000003 -0.000001 -0.001866 0.000116 413 F 36 Y -0.000002 -0.000001 -0.000001 -0.002595 0.001022 414 F 36 Z -0.000005 0.000005 -0.000002 0.027379 -0.004420 415 F 36 XX 0.000000 0.000000 0.000000 -0.003141 0.000430 416 F 36 YY -0.000000 -0.000000 -0.000000 -0.002996 0.000423 417 F 36 ZZ -0.000000 0.000000 -0.000000 0.006136 -0.000852 418 F 36 XY -0.000000 0.000000 0.000000 0.000048 0.000119 419 F 36 XZ -0.000000 -0.000000 -0.000000 -0.000483 0.000087 420 F 36 YZ -0.000000 0.000000 -0.000000 -0.000963 0.000569 421 C 37 S 0.000003 -0.000004 0.000002 -0.000056 -0.000010 422 C 37 S 0.000000 -0.000006 0.000004 -0.000068 0.000028 423 C 37 S -0.000335 -0.000185 0.000090 0.003202 0.008051 424 C 37 X -0.000010 0.000003 0.000001 -0.000142 -0.000214 425 C 37 Y 0.000014 0.000007 -0.000004 0.000017 0.000006 426 C 37 Z -0.000005 0.000002 0.000001 -0.000046 -0.000008 427 C 37 X -0.000099 0.000038 -0.000073 0.000768 -0.000689 428 C 37 Y -0.000616 -0.000200 0.000135 -0.001543 0.002847 429 C 37 Z -0.000046 -0.000011 0.000044 -0.000219 0.000174 430 C 37 XX 0.000025 -0.000009 0.000007 0.000004 -0.000113 431 C 37 YY -0.000020 0.000007 -0.000005 0.000051 0.000134 432 C 37 ZZ -0.000005 0.000001 -0.000002 -0.000055 -0.000021 433 C 37 XY 0.000035 0.000004 -0.000000 0.000078 -0.000076 434 C 37 XZ 0.000006 -0.000002 -0.000001 0.000009 0.000055 435 C 37 YZ -0.000007 -0.000003 -0.000003 0.000031 -0.000032 436 S 38 S -0.000000 -0.000002 0.000000 0.000007 0.000001 437 S 38 S -0.000001 -0.000016 0.000002 0.000024 -0.000016 438 S 38 S -0.000003 -0.000017 0.000002 0.000458 0.000813 439 S 38 S -0.000090 0.000192 0.000001 -0.001112 0.001283 440 S 38 X -0.000002 0.000002 0.000001 0.000192 0.000183 441 S 38 Y 0.000004 -0.000004 0.000001 0.000018 -0.000082 442 S 38 Z 0.000000 -0.000000 -0.000000 -0.000022 0.000048 443 S 38 X -0.000003 0.000001 0.000001 0.000317 0.000045 444 S 38 Y 0.000017 -0.000019 0.000003 -0.000258 -0.000772 445 S 38 Z -0.000002 -0.000000 -0.000007 -0.000081 0.000144 446 S 38 X 0.000057 0.000050 -0.000028 -0.004156 -0.005977 447 S 38 Y 0.000114 -0.000052 -0.000015 -0.000978 -0.002581 448 S 38 Z 0.000016 -0.000007 0.000001 0.000187 -0.000281 449 S 38 XX 0.000010 -0.000003 0.000001 -0.000452 -0.000535 450 S 38 YY -0.000010 0.000007 -0.000002 0.000512 0.000724 451 S 38 ZZ 0.000000 -0.000004 0.000001 -0.000060 -0.000189 452 S 38 XY 0.000006 -0.000002 0.000002 0.000308 0.000685 453 S 38 XZ 0.000003 0.000003 0.000000 0.000035 0.000093 454 S 38 YZ 0.000000 0.000003 -0.000002 0.000017 -0.000026 455 S 38 XX -0.000001 0.000000 -0.000000 0.000025 0.000032 456 S 38 YY 0.000001 -0.000000 0.000000 -0.000016 -0.000020 457 S 38 ZZ 0.000000 0.000000 -0.000000 -0.000009 -0.000012 458 S 38 XY -0.000001 0.000000 -0.000000 -0.000001 -0.000007 459 S 38 XZ -0.000000 -0.000000 -0.000000 -0.000001 -0.000004 460 S 38 YZ -0.000000 -0.000000 0.000000 -0.000001 0.000000 461 H 39 S -0.000030 -0.000006 0.000008 -0.000361 -0.000214 462 H 39 S 0.000144 0.000026 0.000032 -0.000479 -0.000288 463 H 39 X -0.000009 -0.000008 0.000002 -0.000003 0.000026 464 H 39 Y 0.000021 0.000007 -0.000006 0.000045 -0.000074 465 H 39 Z 0.000003 0.000000 -0.000002 -0.000002 -0.000005 36 37 38 39 40 -1.6710 -1.6309 -1.6169 -1.6132 -1.2313 A A A A A 1 C 1 S 0.000075 0.000027 -0.000258 0.000001 -0.003230 2 C 1 S 0.000167 0.000054 -0.000415 -0.000015 0.059634 3 C 1 S -0.000645 0.003329 -0.002499 -0.004326 0.035537 4 C 1 X 0.000073 -0.000194 0.000083 0.000048 -0.013875 5 C 1 Y 0.000230 0.000060 -0.000227 -0.000210 0.017600 6 C 1 Z -0.000001 0.000061 0.000004 0.000058 0.001849 7 C 1 X 0.000035 -0.000397 -0.000730 0.001950 0.003847 8 C 1 Y -0.005964 -0.000105 0.005348 0.004922 -0.004616 9 C 1 Z -0.000141 -0.000253 0.000376 -0.001047 -0.001200 10 C 1 XX -0.000048 0.000101 0.000114 0.000008 0.002598 11 C 1 YY 0.000009 -0.000090 0.000108 0.000056 0.001841 12 C 1 ZZ 0.000040 -0.000011 -0.000222 -0.000064 -0.004440 13 C 1 XY 0.000042 0.000012 -0.000163 -0.000028 -0.000537 14 C 1 XZ -0.000007 0.000008 -0.000025 0.000114 -0.000673 15 C 1 YZ -0.000002 -0.000022 0.000022 -0.000019 0.000289 16 C 2 S -0.000328 0.000473 -0.000214 0.000221 -0.004599 17 C 2 S 0.000130 0.000670 -0.000307 0.000077 0.074737 18 C 2 S 0.013686 -0.013851 0.006658 -0.001131 0.034524 19 C 2 X -0.000466 0.000200 -0.000091 -0.000048 0.012276 20 C 2 Y 0.000471 -0.000152 -0.000019 -0.000044 0.028908 21 C 2 Z 0.000120 0.000052 0.000145 -0.000147 -0.000011 22 C 2 X -0.002480 -0.001056 0.005704 0.006881 0.006664 23 C 2 Y 0.011444 -0.006443 0.002806 -0.005952 0.003453 24 C 2 Z 0.000620 0.000183 -0.000076 0.001281 -0.000342 25 C 2 XX -0.000101 -0.000150 -0.000110 0.000001 0.000511 26 C 2 YY 0.000332 -0.000078 0.000070 -0.000267 0.003104 27 C 2 ZZ -0.000231 0.000228 0.000040 0.000266 -0.003615 28 C 2 XY -0.000438 0.000186 0.000240 0.000432 -0.003095 29 C 2 XZ -0.000061 0.000031 0.000028 0.000043 -0.000634 30 C 2 YZ 0.000093 0.000082 -0.000033 0.000268 0.000231 31 C 3 S 0.000446 0.000439 -0.001020 -0.000767 -0.010204 32 C 3 S 0.002896 0.000447 -0.001376 -0.001373 0.142514 33 C 3 S -0.015356 -0.014156 0.043983 0.019138 0.084231 34 C 3 X -0.001703 0.000579 -0.000608 0.000383 -0.002279 35 C 3 Y -0.000179 0.000222 0.000301 0.000052 0.024714 36 C 3 Z 0.000216 0.000533 -0.000170 0.000631 0.001064 37 C 3 X 0.011804 0.007511 -0.038853 -0.018235 0.003503 38 C 3 Y 0.017507 -0.020007 0.016614 -0.002299 -0.001461 39 C 3 Z -0.000195 -0.001119 -0.000822 -0.001648 0.000443 40 C 3 XX -0.000103 -0.000473 0.001063 0.000058 0.006129 41 C 3 YY -0.000321 0.000106 -0.000301 0.000159 0.003475 42 C 3 ZZ 0.000425 0.000367 -0.000762 -0.000217 -0.009604 43 C 3 XY -0.000038 0.000314 -0.001204 -0.000545 -0.002409 44 C 3 XZ -0.000126 -0.000370 0.000327 -0.000726 0.001535 45 C 3 YZ -0.000051 0.000191 -0.000183 0.000519 0.001238 46 C 4 S -0.000121 -0.000083 -0.000215 -0.000401 -0.011107 47 C 4 S -0.000014 -0.000145 -0.000327 -0.000616 0.136879 48 C 4 S -0.008218 0.004645 0.005688 0.010767 0.117626 49 C 4 X 0.000212 -0.000265 -0.000012 -0.000191 -0.023087 50 C 4 Y -0.000215 -0.000074 0.000228 0.000076 0.005054 51 C 4 Z -0.000240 0.000002 0.000119 0.000127 -0.013021 52 C 4 X -0.000069 -0.003528 0.000605 -0.001837 -0.004551 53 C 4 Y 0.003910 -0.001285 -0.009850 -0.004318 0.004216 54 C 4 Z 0.006098 -0.001078 -0.003588 -0.004136 0.011286 55 C 4 XX 0.000301 0.000295 -0.000210 -0.000105 -0.000118 56 C 4 YY -0.000084 -0.000248 0.000257 0.000177 0.002459 57 C 4 ZZ -0.000217 -0.000047 -0.000047 -0.000072 -0.002341 58 C 4 XY 0.000092 0.000161 0.000104 0.000260 0.001434 59 C 4 XZ -0.000020 0.000049 -0.000032 0.000041 0.001304 60 C 4 YZ 0.000106 -0.000012 0.000101 -0.000111 -0.001609 61 S 5 S -0.000069 0.000032 0.000013 0.000047 -0.000039 62 S 5 S -0.000477 0.000229 0.000076 0.000323 -0.002274 63 S 5 S -0.000485 0.000260 0.000063 0.000346 0.071117 64 S 5 S 0.005063 -0.000679 -0.003795 -0.003826 0.051095 65 S 5 X -0.000124 0.000007 0.000142 0.000102 0.002633 66 S 5 Y 0.000006 -0.000002 -0.000009 -0.000013 -0.000159 67 S 5 Z 0.000001 0.000002 -0.000012 -0.000020 -0.000601 68 S 5 X -0.000419 0.000032 0.000407 0.000311 -0.028620 69 S 5 Y 0.000021 0.000008 -0.000024 -0.000028 0.002898 70 S 5 Z 0.000002 0.000007 -0.000034 -0.000065 0.004613 71 S 5 X -0.002059 0.000651 0.001322 0.001413 -0.008778 72 S 5 Y -0.000660 0.000696 -0.000055 0.000898 0.000026 73 S 5 Z 0.000169 0.000138 -0.000657 0.000125 0.001609 74 S 5 XX 0.000163 -0.000212 0.000023 -0.000093 0.005576 75 S 5 YY 0.000061 0.000124 0.000008 -0.000028 0.001248 76 S 5 ZZ -0.000224 0.000087 -0.000031 0.000121 -0.006824 77 S 5 XY -0.000001 -0.000058 0.000035 -0.000017 -0.002107 78 S 5 XZ -0.000017 -0.000001 0.000179 0.000012 -0.002806 79 S 5 YZ -0.000002 0.000023 -0.000040 -0.000064 0.001409 80 S 5 XX -0.000006 0.000010 -0.000003 0.000003 0.000724 81 S 5 YY -0.000003 -0.000006 -0.000000 0.000001 0.000306 82 S 5 ZZ 0.000009 -0.000004 0.000003 -0.000004 -0.001030 83 S 5 XY -0.000000 0.000003 -0.000001 0.000002 -0.000283 84 S 5 XZ 0.000000 -0.000000 -0.000009 0.000000 -0.000410 85 S 5 YZ 0.000000 -0.000001 0.000001 0.000004 0.000228 86 H 6 S 0.000224 -0.000104 0.000323 0.000104 0.018737 87 H 6 S 0.004409 -0.001778 0.002599 -0.002293 0.000006 88 H 6 X 0.000306 -0.000014 -0.000118 -0.000169 0.002083 89 H 6 Y 0.000107 0.000018 0.000036 -0.000166 0.002866 90 H 6 Z -0.000084 0.000029 -0.000021 0.000051 0.000034 91 C 7 S -0.000567 0.000588 -0.000157 -0.000577 -0.010314 92 C 7 S 0.000576 0.000386 -0.000968 -0.000849 0.149763 93 C 7 S 0.016305 -0.021964 -0.008900 0.021811 0.114139 94 C 7 X -0.001226 0.001002 0.001192 -0.000251 -0.000000 95 C 7 Y 0.000007 0.000084 0.000533 -0.000229 -0.027549 96 C 7 Z 0.000570 0.000322 0.000441 0.000029 -0.000724 97 C 7 X 0.004424 0.003750 -0.001900 -0.019020 0.001140 98 C 7 Y -0.014638 0.013250 0.002231 -0.008550 -0.010367 99 C 7 Z -0.002350 -0.001194 -0.002098 0.004440 0.000254 100 C 7 XX 0.000096 -0.000450 -0.000653 0.000405 0.006365 101 C 7 YY 0.000112 -0.000120 0.000071 -0.000002 0.004394 102 C 7 ZZ -0.000208 0.000570 0.000582 -0.000403 -0.010759 103 C 7 XY 0.000339 -0.000397 -0.000426 0.000881 0.002548 104 C 7 XZ 0.000024 -0.000024 -0.000213 -0.000212 -0.003482 105 C 7 YZ -0.000178 -0.000077 -0.000264 -0.000196 0.000509 106 C 8 S -0.000034 -0.000017 0.000169 -0.000168 -0.003684 107 C 8 S -0.000050 -0.000040 0.000274 -0.000278 0.068133 108 C 8 S -0.003761 0.002606 0.001483 0.002804 0.033968 109 C 8 X 0.000027 0.000007 -0.000063 0.000089 -0.010004 110 C 8 Y 0.000107 -0.000043 0.000042 0.000087 -0.022191 111 C 8 Z -0.000003 -0.000024 -0.000008 0.000028 -0.003433 112 C 8 X -0.001533 0.001119 0.005204 -0.000545 0.003277 113 C 8 Y 0.000980 -0.000868 -0.004075 -0.005579 0.014618 114 C 8 Z 0.000238 -0.000114 -0.000485 -0.000669 0.001487 115 C 8 XX 0.000105 -0.000048 -0.000261 -0.000003 0.002022 116 C 8 YY -0.000090 0.000049 0.000212 0.000143 0.002552 117 C 8 ZZ -0.000015 -0.000002 0.000049 -0.000141 -0.004574 118 C 8 XY 0.000048 -0.000132 -0.000172 0.000023 0.000126 119 C 8 XZ 0.000027 -0.000000 -0.000026 -0.000041 0.000289 120 C 8 YZ -0.000027 0.000003 0.000025 0.000041 0.001042 121 C 9 S 0.000032 -0.000205 -0.000085 -0.000174 -0.011112 122 C 9 S 0.000183 -0.000364 -0.000132 -0.000276 0.145694 123 C 9 S -0.009002 0.005355 0.003755 0.004730 0.097461 124 C 9 X 0.000251 -0.000228 -0.000073 -0.000027 -0.018337 125 C 9 Y 0.000181 0.000049 -0.000177 -0.000090 -0.000796 126 C 9 Z 0.000072 -0.000030 -0.000114 0.000012 0.016103 127 C 9 X 0.001851 -0.002693 -0.001588 -0.000802 -0.004635 128 C 9 Y -0.008360 0.001079 0.002970 0.007709 -0.006608 129 C 9 Z -0.003710 0.002794 0.006401 0.001301 -0.015792 130 C 9 XX -0.000053 0.000184 0.000074 0.000032 0.000043 131 C 9 YY 0.000120 -0.000047 -0.000033 0.000046 0.001802 132 C 9 ZZ -0.000067 -0.000136 -0.000040 -0.000078 -0.001846 133 C 9 XY -0.000082 -0.000016 -0.000139 -0.000048 -0.001136 134 C 9 XZ 0.000010 -0.000133 -0.000114 0.000014 -0.001326 135 C 9 YZ -0.000169 0.000060 0.000049 0.000107 -0.001447 136 C 10 S -0.000943 0.001283 -0.000178 -0.000326 -0.010146 137 C 10 S 0.008077 0.000920 0.002579 0.001408 0.163362 138 C 10 S 0.026492 -0.000897 -0.006555 -0.029783 0.078603 139 C 10 X -0.006984 -0.000213 -0.002412 -0.000158 0.017938 140 C 10 Y 0.002285 -0.000986 -0.001660 -0.000504 -0.016639 141 C 10 Z 0.001738 0.002262 0.004736 0.001179 -0.004811 142 C 10 X -0.029781 0.022055 0.010626 -0.012147 -0.013255 143 C 10 Y 0.005280 0.008247 0.003017 -0.017388 -0.013055 144 C 10 Z 0.005999 -0.002253 0.006026 0.000029 0.005101 145 C 10 XX 0.002262 -0.000125 0.001028 -0.000605 0.003837 146 C 10 YY -0.000312 -0.000182 -0.000655 0.000445 0.005858 147 C 10 ZZ -0.001950 0.000307 -0.000372 0.000159 -0.009695 148 C 10 XY -0.002514 0.001437 0.001836 -0.000719 0.003531 149 C 10 XZ -0.001534 -0.001392 -0.003910 0.000025 -0.001491 150 C 10 YZ 0.000159 -0.000244 0.000002 0.000639 -0.000278 151 C 11 S -0.001955 0.000553 -0.000071 0.000079 -0.009801 152 C 11 S 0.010424 -0.000022 0.001064 0.003158 0.157558 153 C 11 S 0.045280 0.012302 -0.041815 -0.023170 0.079597 154 C 11 X -0.010152 -0.000262 0.001050 -0.002388 0.014303 155 C 11 Y -0.005784 0.000487 0.000311 0.000414 0.021241 156 C 11 Z 0.000614 0.002117 -0.000953 0.005015 0.001096 157 C 11 X -0.020529 0.020254 -0.040730 -0.009147 0.006291 158 C 11 Y -0.023063 0.002559 0.025609 0.011700 0.004719 159 C 11 Z -0.000149 0.002285 -0.005039 0.003794 0.000020 160 C 11 XX 0.003272 0.000353 -0.001623 0.000938 0.004960 161 C 11 YY 0.000260 -0.000277 0.001091 -0.000347 0.004863 162 C 11 ZZ -0.003531 -0.000076 0.000532 -0.000591 -0.009824 163 C 11 XY 0.004112 -0.001130 0.001459 -0.000198 -0.003404 164 C 11 XZ -0.000513 -0.001022 0.001057 -0.003801 0.000450 165 C 11 YZ 0.000067 -0.000001 0.000140 -0.000653 -0.000627 166 C 12 S 0.000539 -0.001904 0.000563 -0.001223 0.000318 167 C 12 S 0.068096 -0.002652 0.012911 -0.000370 0.076916 168 C 12 S -0.060401 0.026142 0.004295 0.005987 0.024666 169 C 12 X -0.008838 -0.002476 -0.000745 0.000896 0.036954 170 C 12 Y 0.037462 -0.018650 -0.051518 -0.009930 -0.035579 171 C 12 Z 0.018697 0.041531 0.100986 0.013507 -0.015009 172 C 12 X -0.003073 0.000898 0.001236 0.006970 0.010570 173 C 12 Y 0.023107 -0.012588 -0.000448 -0.000636 -0.010896 174 C 12 Z 0.009813 0.007369 0.005102 -0.000355 -0.013527 175 C 12 XX -0.007912 0.000804 -0.001359 -0.000008 0.007044 176 C 12 YY 0.001137 -0.007996 -0.022282 -0.003843 -0.000966 177 C 12 ZZ 0.006776 0.007192 0.023641 0.003852 -0.006078 178 C 12 XY -0.007172 0.004103 0.006556 0.000683 -0.000108 179 C 12 XZ -0.003997 -0.005371 -0.013436 -0.001841 0.000088 180 C 12 YZ -0.007433 0.003668 0.016801 0.004065 0.002330 181 C 13 S -0.000740 0.000482 0.000446 0.000522 0.000725 182 C 13 S -0.082652 0.002862 0.003344 0.004428 0.058547 183 C 13 S 0.072700 -0.016285 0.001480 -0.000583 0.018997 184 C 13 X 0.050069 -0.066329 0.022415 0.028383 0.036202 185 C 13 Y -0.004002 -0.012902 0.004186 0.004564 0.001638 186 C 13 Z 0.035154 0.094587 -0.025315 -0.031945 0.017607 187 C 13 X 0.023148 -0.007927 -0.000839 -0.001949 0.006631 188 C 13 Y -0.004857 -0.000995 -0.004717 0.001018 -0.001703 189 C 13 Z 0.016996 0.006287 0.003063 0.004114 0.014061 190 C 13 XX -0.006376 0.027467 -0.008811 -0.011708 0.001603 191 C 13 YY 0.017797 -0.001431 -0.000916 -0.000404 0.002786 192 C 13 ZZ -0.011422 -0.026036 0.009727 0.012112 -0.004388 193 C 13 XY -0.003778 0.003061 -0.001439 -0.001093 -0.000284 194 C 13 XZ 0.007796 -0.009404 0.004956 0.007205 0.002480 195 C 13 YZ 0.002761 0.002055 0.001966 -0.002584 0.000882 196 C 14 S -0.000045 -0.001856 -0.000870 -0.000182 0.000379 197 C 14 S 0.103291 -0.003578 -0.004454 0.009777 0.074100 198 C 14 S -0.066011 0.023640 -0.007668 0.003482 0.030777 199 C 14 X -0.009452 -0.005944 0.004002 -0.012240 0.030210 200 C 14 Y -0.058089 0.007461 -0.004748 0.028136 0.041154 201 C 14 Z 0.012045 0.037470 -0.030930 0.107363 -0.004750 202 C 14 X -0.001325 -0.001331 0.004889 0.003064 0.011705 203 C 14 Y -0.025413 0.008957 -0.002627 -0.000351 0.015344 204 C 14 Z 0.007712 0.007117 -0.001997 0.008305 -0.008058 205 C 14 XX -0.013344 0.002029 0.000002 0.001076 0.006243 206 C 14 YY 0.000984 -0.005269 0.003969 -0.014200 -0.000133 207 C 14 ZZ 0.012361 0.003240 -0.003971 0.013124 -0.006110 208 C 14 XY 0.007684 -0.001255 -0.000116 0.000815 0.001462 209 C 14 XZ -0.005744 -0.004663 0.003920 -0.011654 0.001541 210 C 14 YZ 0.006773 -0.006191 0.006232 -0.028814 -0.000630 211 F 15 S -0.002550 -0.000977 -0.003922 -0.000325 -0.000328 212 F 15 S 0.139081 0.122705 0.340273 0.048102 -0.033302 213 F 15 S 0.159215 0.127988 0.374146 0.051326 -0.037750 214 F 15 X 0.006398 0.003315 0.012529 0.002271 0.010556 215 F 15 Y 0.000397 -0.005072 -0.009509 -0.001959 -0.009045 216 F 15 Z -0.024212 -0.014367 -0.036854 -0.004723 -0.014946 217 F 15 X 0.004051 0.000976 0.006586 0.000597 0.004812 218 F 15 Y -0.001277 -0.001777 -0.006315 -0.000623 -0.001619 219 F 15 Z -0.015571 -0.005757 -0.017138 -0.001159 -0.009577 220 F 15 XX -0.001378 -0.000611 -0.001724 -0.000233 -0.000309 221 F 15 YY -0.001551 -0.000765 -0.001977 -0.000195 -0.000533 222 F 15 ZZ 0.002929 0.001376 0.003701 0.000428 0.000842 223 F 15 XY -0.000085 -0.000022 -0.000419 -0.000107 -0.000227 224 F 15 XZ -0.001329 -0.000712 -0.002160 -0.000283 -0.000942 225 F 15 YZ 0.000027 0.000535 0.001655 0.000277 0.000644 226 F 16 S -0.002835 0.001272 0.003105 0.000360 -0.000102 227 F 16 S 0.151451 -0.112758 -0.295473 -0.051119 -0.028591 228 F 16 S 0.173547 -0.122183 -0.323082 -0.054884 -0.035584 229 F 16 X 0.007041 -0.004541 -0.010985 -0.001741 0.010862 230 F 16 Y -0.020465 0.012873 0.029296 0.004675 -0.014475 231 F 16 Z 0.015188 -0.002599 -0.008595 -0.002182 0.001651 232 F 16 X 0.003712 -0.002183 -0.005884 -0.001473 0.004353 233 F 16 Y -0.014244 0.007223 0.012621 0.001597 -0.007674 234 F 16 Z 0.008152 -0.000317 -0.002773 -0.000882 0.003650 235 F 16 XX -0.001338 0.000583 0.001127 0.000171 -0.000199 236 F 16 YY 0.001693 -0.001276 -0.002643 -0.000360 0.000776 237 F 16 ZZ -0.000356 0.000693 0.001516 0.000189 -0.000577 238 F 16 XY -0.001093 0.000750 0.001700 0.000256 -0.000834 239 F 16 XZ 0.000736 -0.000356 -0.000727 -0.000110 0.000329 240 F 16 YZ -0.002552 0.000658 0.001823 0.000372 -0.000438 241 F 17 S -0.004211 0.001216 -0.001032 0.003019 -0.000048 242 F 17 S 0.225482 -0.096862 0.074931 -0.301563 -0.027115 243 F 17 S 0.258269 -0.106010 0.083459 -0.328714 -0.034106 244 F 17 X 0.004288 -0.001900 0.001537 -0.005938 0.007651 245 F 17 Y 0.026739 -0.010978 0.007593 -0.027903 0.014453 246 F 17 Z 0.029008 -0.004747 0.003240 -0.015755 0.005310 247 F 17 X 0.001671 -0.000407 0.000477 -0.003648 0.002383 248 F 17 Y 0.017802 -0.006525 0.004250 -0.011778 0.006708 249 F 17 Z 0.016917 -0.001730 0.001222 -0.006245 0.005061 250 F 17 XX -0.002422 0.000691 -0.000440 0.001575 -0.000395 251 F 17 YY 0.001306 -0.000946 0.000660 -0.002043 0.000671 252 F 17 ZZ 0.001116 0.000256 -0.000220 0.000468 -0.000277 253 F 17 XY 0.000500 -0.000222 0.000185 -0.000743 0.000495 254 F 17 XZ 0.000543 -0.000290 0.000190 -0.000614 0.000368 255 F 17 YZ 0.004393 -0.001010 0.000735 -0.002902 0.000780 256 F 18 S -0.003660 -0.000858 0.001217 -0.003639 -0.000312 257 F 18 S 0.205589 0.100388 -0.095695 0.333294 -0.031695 258 F 18 S 0.233371 0.104942 -0.105494 0.364401 -0.036165 259 F 18 X 0.010617 0.002314 -0.003045 0.012284 0.009196 260 F 18 Y 0.008833 0.007412 -0.004995 0.018823 0.012444 261 F 18 Z -0.034933 -0.010396 0.009829 -0.031617 -0.011247 262 F 18 X 0.006351 0.000390 -0.001623 0.005877 0.004956 263 F 18 Y 0.006423 0.002538 -0.002973 0.009885 0.004279 264 F 18 Z -0.021541 -0.004286 0.004901 -0.013656 -0.008024 265 F 18 XX -0.001962 -0.000467 0.000461 -0.001643 -0.000275 266 F 18 YY -0.001833 -0.000347 0.000331 -0.000803 -0.000124 267 F 18 ZZ 0.003795 0.000814 -0.000793 0.002447 0.000398 268 F 18 XY 0.000617 0.000144 -0.000219 0.000942 0.000466 269 F 18 XZ -0.002086 -0.000553 0.000571 -0.001895 -0.000757 270 F 18 YZ -0.001973 -0.000921 0.000863 -0.003022 -0.000946 271 C 19 S -0.000136 0.000063 0.000055 -0.000091 -0.000685 272 C 19 S -0.000234 0.000109 0.000098 -0.000154 0.019487 273 C 19 S 0.001192 -0.000589 0.000217 0.002909 -0.004031 274 C 19 X -0.000000 -0.000013 -0.000055 -0.000045 -0.005484 275 C 19 Y -0.000018 0.000008 -0.000033 -0.000040 -0.008466 276 C 19 Z 0.000001 -0.000000 -0.000011 0.000002 -0.001223 277 C 19 X -0.000338 0.000148 -0.000698 -0.000932 0.004295 278 C 19 Y -0.000914 0.000402 0.000678 -0.000816 0.003405 279 C 19 Z -0.000181 0.000118 0.000198 -0.000263 0.000537 280 C 19 XX -0.000038 0.000016 0.000148 0.000049 -0.000359 281 C 19 YY 0.000074 -0.000019 -0.000120 -0.000038 0.001150 282 C 19 ZZ -0.000036 0.000002 -0.000028 -0.000011 -0.000791 283 C 19 XY 0.000043 -0.000007 0.000068 0.000031 0.001510 284 C 19 XZ 0.000011 -0.000000 0.000012 0.000005 0.000205 285 C 19 YZ 0.000025 -0.000002 -0.000012 -0.000015 0.000311 286 H 20 S -0.000045 0.000003 -0.000045 -0.000110 0.006260 287 H 20 S 0.000119 0.000002 0.000190 0.000186 -0.000956 288 H 20 X -0.000031 0.000012 0.000082 0.000029 -0.001156 289 H 20 Y -0.000006 0.000004 0.000034 0.000006 -0.000082 290 H 20 Z 0.000003 -0.000002 -0.000001 0.000009 -0.000058 291 H 21 S -0.000103 0.000064 0.000071 -0.000072 0.006313 292 H 21 S 0.000186 -0.000052 -0.000208 -0.000148 -0.000428 293 H 21 X 0.000015 -0.000010 -0.000015 -0.000014 -0.000072 294 H 21 Y 0.000027 -0.000018 -0.000072 -0.000006 -0.000636 295 H 21 Z 0.000025 -0.000006 -0.000025 -0.000021 0.000730 296 C 22 S -0.000046 0.000114 -0.000164 -0.000008 -0.000606 297 C 22 S -0.000087 0.000196 -0.000279 -0.000003 0.016503 298 C 22 S -0.002605 -0.001215 0.004288 0.002684 -0.001198 299 C 22 X 0.000083 -0.000021 -0.000042 -0.000073 -0.003969 300 C 22 Y -0.000099 -0.000037 0.000087 0.000118 0.007745 301 C 22 Z -0.000009 -0.000004 0.000008 0.000001 0.000585 302 C 22 X 0.000341 0.000743 -0.001078 -0.000738 0.001046 303 C 22 Y -0.000922 -0.000388 0.001292 0.000881 -0.003286 304 C 22 Z -0.000087 0.000026 0.000052 0.000342 0.000294 305 C 22 XX 0.000023 -0.000021 0.000023 -0.000014 -0.000339 306 C 22 YY 0.000063 -0.000024 -0.000040 -0.000059 0.000971 307 C 22 ZZ -0.000086 0.000045 0.000017 0.000073 -0.000632 308 C 22 XY 0.000074 0.000037 -0.000048 -0.000112 -0.001307 309 C 22 XZ 0.000002 0.000006 -0.000001 -0.000017 -0.000043 310 C 22 YZ 0.000000 -0.000000 -0.000003 0.000036 0.000182 311 H 23 S -0.000022 0.000138 -0.000121 -0.000033 0.005432 312 H 23 S -0.000158 0.000088 -0.000339 0.000058 -0.000323 313 H 23 X -0.000036 0.000020 -0.000016 0.000027 0.000489 314 H 23 Y -0.000023 -0.000013 -0.000007 0.000046 0.000858 315 H 23 Z 0.000003 -0.000008 0.000003 -0.000018 0.000005 316 H 24 S 0.000097 0.000014 -0.000156 -0.000124 0.005117 317 H 24 S 0.000003 -0.000090 0.000131 0.000053 -0.000523 318 H 24 X 0.000005 -0.000032 0.000021 0.000009 -0.000435 319 H 24 Y -0.000009 0.000010 0.000010 0.000016 0.000319 320 H 24 Z -0.000039 0.000018 0.000022 0.000017 -0.000591 321 H 25 S 0.000094 0.000029 -0.000149 -0.000090 0.005303 322 H 25 S 0.000036 -0.000066 -0.000000 -0.000005 -0.000295 323 H 25 X 0.000002 -0.000033 0.000028 0.000034 -0.000426 324 H 25 Y -0.000007 0.000005 0.000005 -0.000027 0.000245 325 H 25 Z 0.000042 -0.000016 -0.000027 -0.000042 0.000663 326 C 26 S 0.000071 -0.000175 -0.000115 -0.000020 -0.001876 327 C 26 S 0.000144 -0.000313 -0.000198 -0.000036 0.056735 328 C 26 S -0.001880 0.002110 0.003411 0.000179 0.006539 329 C 26 X 0.000042 0.000009 0.000031 0.000023 -0.002678 330 C 26 Y 0.000039 0.000011 -0.000011 0.000003 0.003954 331 C 26 Z -0.000035 0.000021 0.000111 -0.000024 0.028876 332 C 26 X -0.000489 -0.000210 0.000199 0.000201 0.001053 333 C 26 Y 0.000186 -0.000222 0.000243 -0.000427 -0.001251 334 C 26 Z -0.001396 0.000594 0.001871 0.001401 -0.009351 335 C 26 XX -0.000047 0.000071 -0.000044 -0.000131 -0.002656 336 C 26 YY 0.000099 -0.000062 -0.000063 -0.000042 -0.002494 337 C 26 ZZ -0.000052 -0.000009 0.000107 0.000173 0.005150 338 C 26 XY 0.000206 0.000014 -0.000012 -0.000075 0.000176 339 C 26 XZ 0.000177 -0.000053 0.000000 0.000006 0.000033 340 C 26 YZ 0.000201 0.000048 -0.000015 -0.000144 0.001452 341 H 27 S 0.000037 -0.000104 -0.000197 -0.000053 0.021395 342 H 27 S -0.000658 -0.000731 0.000639 0.001202 -0.004645 343 H 27 X -0.000242 -0.000023 0.000039 0.000084 0.001849 344 H 27 Y -0.000089 -0.000076 0.000055 0.000103 0.001766 345 H 27 Z 0.000050 -0.000039 -0.000014 0.000096 0.000960 346 H 28 S 0.000178 -0.000057 -0.000160 0.000023 0.018498 347 H 28 S -0.000360 -0.000033 0.000146 0.000649 -0.003277 348 H 28 X 0.000061 0.000031 0.000020 -0.000037 0.000216 349 H 28 Y 0.000006 -0.000022 -0.000009 0.000011 -0.002175 350 H 28 Z 0.000078 -0.000037 -0.000040 -0.000022 0.001664 351 H 29 S 0.000214 -0.000131 -0.000058 0.000079 0.016521 352 H 29 S -0.000039 0.000152 0.000036 0.000131 -0.000876 353 H 29 X -0.000058 0.000047 -0.000005 -0.000042 -0.002314 354 H 29 Y 0.000034 0.000003 -0.000003 0.000046 0.000938 355 H 29 Z -0.000008 0.000034 0.000016 0.000004 0.001678 356 C 30 S 0.000042 -0.000044 0.000070 0.000039 -0.001684 357 C 30 S 0.000098 -0.000079 0.000134 0.000104 0.056579 358 C 30 S -0.003437 0.000318 0.001405 0.001189 0.005955 359 C 30 X 0.000071 -0.000001 -0.000031 -0.000078 -0.004706 360 C 30 Y 0.000042 0.000032 0.000024 -0.000011 -0.003784 361 C 30 Z 0.000137 0.000022 -0.000097 -0.000068 -0.028181 362 C 30 X -0.000235 0.000321 0.000547 0.000831 0.000706 363 C 30 Y -0.000022 -0.000367 0.000260 0.000345 0.003000 364 C 30 Z 0.001352 -0.000347 -0.001252 -0.000672 0.010656 365 C 30 XX 0.000023 0.000113 -0.000189 -0.000051 -0.002403 366 C 30 YY -0.000004 -0.000074 0.000041 0.000011 -0.002422 367 C 30 ZZ -0.000019 -0.000039 0.000148 0.000040 0.004825 368 C 30 XY -0.000109 0.000110 0.000063 0.000110 -0.000016 369 C 30 XZ -0.000168 0.000071 0.000076 0.000052 0.000627 370 C 30 YZ 0.000079 0.000032 -0.000237 -0.000091 0.001354 371 H 31 S 0.000093 -0.000050 -0.000069 0.000033 0.017917 372 H 31 S -0.000076 -0.000192 0.000274 0.000395 -0.002300 373 H 31 X 0.000047 -0.000007 -0.000100 -0.000093 -0.000360 374 H 31 Y 0.000058 0.000053 -0.000107 -0.000039 0.002032 375 H 31 Z 0.000014 0.000049 0.000022 -0.000044 -0.001838 376 H 32 S 0.000061 -0.000056 0.000081 0.000156 0.021892 377 H 32 S 0.000006 0.000539 0.000942 0.000411 -0.006862 378 H 32 X -0.000117 0.000140 0.000238 0.000063 0.002082 379 H 32 Y 0.000035 0.000007 -0.000133 -0.000078 -0.001366 380 H 32 Z -0.000048 0.000049 -0.000029 0.000002 -0.001018 381 H 33 S 0.000256 -0.000068 0.000018 -0.000095 0.016801 382 H 33 S 0.000179 0.000165 -0.000110 -0.000517 -0.001164 383 H 33 X -0.000057 0.000023 -0.000035 0.000029 -0.002118 384 H 33 Y -0.000055 0.000049 -0.000020 0.000034 -0.001396 385 H 33 Z 0.000002 -0.000024 -0.000037 -0.000025 -0.001519 386 H 34 S -0.000090 0.000066 0.000068 -0.000047 0.006329 387 H 34 S 0.000206 -0.000161 -0.000421 0.000076 -0.000486 388 H 34 X 0.000022 -0.000013 -0.000022 -0.000008 0.000005 389 H 34 Y 0.000037 -0.000012 -0.000065 -0.000031 -0.000470 390 H 34 Z -0.000012 0.000007 0.000015 0.000003 -0.000853 391 F 35 S 0.003630 -0.003356 0.000963 0.001101 0.000030 392 F 35 S -0.190415 0.303748 -0.095620 -0.122803 -0.016804 393 F 35 S -0.219585 0.330471 -0.104766 -0.133696 -0.022369 394 F 35 X -0.029560 0.037296 -0.010333 -0.012716 0.011174 395 F 35 Y -0.003948 0.002931 -0.000118 -0.001826 0.000718 396 F 35 Z 0.015805 -0.005254 0.002702 0.003560 0.001014 397 F 35 X -0.019573 0.017286 -0.004275 -0.004859 0.005611 398 F 35 Y -0.001807 0.001183 0.001096 -0.001358 0.000679 399 F 35 Z 0.008651 -0.000891 0.001011 0.001214 -0.001445 400 F 35 XX -0.003131 0.004155 -0.001093 -0.001324 0.000826 401 F 35 YY 0.002037 -0.002012 0.000527 0.000677 -0.000342 402 F 35 ZZ 0.001095 -0.002143 0.000566 0.000647 -0.000484 403 F 35 XY -0.000711 0.000588 -0.000055 -0.000291 0.000109 404 F 35 XZ 0.002892 -0.001313 0.000488 0.000626 -0.000057 405 F 35 YZ 0.000283 -0.000069 0.000152 -0.000050 0.000008 406 F 36 S 0.003158 0.003205 -0.001229 -0.001524 -0.000171 407 F 36 S -0.192650 -0.305519 0.097554 0.126207 -0.027610 408 F 36 S -0.217916 -0.330261 0.109534 0.141591 -0.031907 409 F 36 X 0.003510 -0.008074 0.002298 0.002440 0.009818 410 F 36 Y 0.002556 0.002585 -0.002845 0.000434 -0.000394 411 F 36 Z -0.033136 -0.036100 0.010603 0.013793 0.015238 412 F 36 X 0.000874 -0.005206 0.002044 0.002399 0.002198 413 F 36 Y 0.001732 0.001029 -0.001743 0.000729 -0.000581 414 F 36 Z -0.020923 -0.016080 0.004855 0.006368 0.008892 415 F 36 XX 0.001981 0.002059 -0.000556 -0.000694 -0.000446 416 F 36 YY 0.002209 0.001894 -0.000674 -0.000898 -0.000562 417 F 36 ZZ -0.004190 -0.003954 0.001231 0.001592 0.001008 418 F 36 XY -0.000110 0.000108 -0.000088 0.000010 -0.000045 419 F 36 XZ 0.000566 -0.001157 0.000482 0.000629 0.000646 420 F 36 YZ 0.000630 0.000527 -0.000205 -0.000173 -0.000104 421 C 37 S -0.000331 0.000111 0.000099 -0.000021 -0.006174 422 C 37 S -0.000517 0.000151 0.000125 -0.000051 0.079838 423 C 37 S 0.007913 -0.002928 -0.006915 -0.006851 0.058976 424 C 37 X -0.000072 0.000032 0.000143 0.000112 -0.032581 425 C 37 Y -0.000148 0.000085 0.000082 0.000004 -0.003192 426 C 37 Z -0.000010 -0.000028 -0.000121 0.000032 -0.002613 427 C 37 X -0.004259 0.001982 0.001164 0.002450 -0.019047 428 C 37 Y 0.000895 -0.001790 -0.003957 -0.002025 0.004879 429 C 37 Z -0.000336 -0.000448 -0.000732 0.000533 0.001054 430 C 37 XX 0.000155 -0.000074 -0.000041 0.000066 0.000734 431 C 37 YY 0.000083 -0.000079 -0.000148 -0.000030 0.003923 432 C 37 ZZ -0.000238 0.000153 0.000189 -0.000036 -0.004657 433 C 37 XY 0.000140 -0.000050 0.000004 0.000046 0.003169 434 C 37 XZ 0.000083 0.000014 0.000079 -0.000096 0.000841 435 C 37 YZ 0.000018 0.000022 0.000035 -0.000081 0.001643 436 S 38 S -0.000076 0.000080 0.000006 0.000012 0.000156 437 S 38 S -0.000554 0.000581 0.000100 0.000086 -0.001127 438 S 38 S -0.000141 0.000420 -0.000405 -0.000002 0.085432 439 S 38 S 0.005817 -0.004747 0.001978 0.001210 0.058972 440 S 38 X 0.000055 -0.000075 -0.000314 -0.000028 -0.001335 441 S 38 Y -0.000112 0.000058 -0.000128 -0.000063 0.002785 442 S 38 Z 0.000057 -0.000022 -0.000062 -0.000033 0.000008 443 S 38 X -0.000131 -0.000042 -0.000494 0.000006 0.014398 444 S 38 Y -0.000639 0.000309 -0.000125 -0.000134 -0.031273 445 S 38 Z 0.000206 -0.000032 -0.000034 -0.000149 -0.000943 446 S 38 X -0.001738 0.001048 0.006163 0.002110 0.005644 447 S 38 Y -0.002993 0.002356 0.001210 0.000309 -0.008645 448 S 38 Z -0.000314 0.000494 0.001106 -0.000345 0.000017 449 S 38 XX -0.000163 0.000001 0.000169 -0.000065 0.001056 450 S 38 YY 0.000335 -0.000125 -0.000160 -0.000047 0.007601 451 S 38 ZZ -0.000171 0.000125 -0.000009 0.000112 -0.008657 452 S 38 XY 0.000302 -0.000164 -0.000455 -0.000391 -0.001047 453 S 38 XZ 0.000049 -0.000011 0.000014 -0.000008 0.000144 454 S 38 YZ -0.000078 -0.000136 -0.000208 0.000189 0.000323 455 S 38 XX 0.000010 -0.000003 -0.000019 -0.000000 0.000088 456 S 38 YY -0.000004 0.000002 0.000005 0.000004 0.001298 457 S 38 ZZ -0.000005 0.000001 0.000014 -0.000003 -0.001386 458 S 38 XY 0.000000 0.000002 0.000009 0.000014 -0.000095 459 S 38 XZ -0.000003 -0.000002 -0.000006 -0.000000 0.000011 460 S 38 YZ 0.000004 0.000004 0.000007 -0.000011 0.000092 461 H 39 S 0.000010 -0.000112 0.000123 -0.000026 0.020732 462 H 39 S 0.001256 -0.000725 -0.000389 -0.000638 0.004841 463 H 39 X 0.000088 -0.000036 -0.000025 -0.000013 -0.003557 464 H 39 Y -0.000002 0.000049 0.000135 0.000057 0.000252 465 H 39 Z 0.000029 0.000014 0.000004 -0.000032 0.000054 41 42 43 44 45 -1.1744 -1.1694 -1.0975 -1.0652 -1.0602 A A A A A 1 C 1 S 0.001641 -0.010821 -0.010885 -0.007639 0.005153 2 C 1 S -0.020909 0.174656 0.172118 0.113512 -0.067465 3 C 1 S -0.016388 0.126505 0.150069 0.108983 -0.089955 4 C 1 X -0.001619 -0.033149 -0.021573 -0.002963 -0.043166 5 C 1 Y -0.006149 0.031630 -0.009184 -0.025737 0.003727 6 C 1 Z -0.000323 0.003799 0.000342 -0.001836 0.002951 7 C 1 X 0.003050 0.002215 -0.000105 0.001002 0.000876 8 C 1 Y -0.000490 -0.007558 -0.020058 -0.021955 0.002481 9 C 1 Z -0.000623 -0.001159 -0.000689 0.000758 0.000168 10 C 1 XX -0.000650 0.007868 0.006952 0.003547 0.001097 11 C 1 YY -0.001356 0.005222 0.004968 0.004340 -0.007025 12 C 1 ZZ 0.002006 -0.013091 -0.011920 -0.007888 0.005929 13 C 1 XY -0.001253 -0.001606 -0.004320 -0.003864 -0.004429 14 C 1 XZ 0.000242 -0.001958 -0.001819 -0.001264 0.000359 15 C 1 YZ -0.000064 0.000965 0.001198 0.000947 -0.000260 16 C 2 S 0.000541 -0.010877 -0.007014 -0.003619 -0.006008 17 C 2 S -0.002636 0.168564 0.117274 0.044490 0.066965 18 C 2 S -0.013800 0.097282 0.058836 0.031079 0.079381 19 C 2 X -0.011665 0.050992 0.055857 0.040875 -0.039855 20 C 2 Y 0.003678 0.036714 -0.013095 -0.029260 0.048030 21 C 2 Z 0.000167 -0.001723 -0.005376 -0.004871 0.003378 22 C 2 X -0.001058 0.015097 0.006510 0.001494 0.016485 23 C 2 Y -0.011491 0.019864 0.007933 0.011784 0.015040 24 C 2 Z 0.000074 0.000196 0.000799 -0.001424 -0.000037 25 C 2 XX -0.000640 0.005222 0.008534 0.006609 -0.004084 26 C 2 YY 0.000340 0.002488 -0.004405 -0.005344 0.008061 27 C 2 ZZ 0.000300 -0.007709 -0.004129 -0.001265 -0.003977 28 C 2 XY -0.002352 -0.003519 -0.003341 -0.002043 -0.006421 29 C 2 XZ -0.000019 -0.001240 -0.000953 -0.000522 -0.000286 30 C 2 YZ -0.000004 0.000615 0.000208 -0.000363 0.000638 31 C 3 S -0.002808 -0.010544 0.001769 0.004393 -0.012230 32 C 3 S 0.028405 0.143893 -0.030940 -0.060344 0.179432 33 C 3 S 0.016546 0.118476 -0.031334 -0.047048 0.148505 34 C 3 X -0.043498 0.040131 0.004734 0.003316 -0.075502 35 C 3 Y 0.007467 -0.028594 -0.067498 -0.023992 0.002637 36 C 3 Z -0.002113 0.003029 -0.005991 -0.006608 -0.002751 37 C 3 X 0.014953 -0.031921 0.006093 0.003078 -0.040673 38 C 3 Y -0.017801 0.008981 -0.017931 0.006994 0.018354 39 C 3 Z -0.001353 -0.000736 -0.000963 0.004125 0.001009 40 C 3 XX 0.002082 0.003491 -0.004500 -0.005558 0.005927 41 C 3 YY -0.001229 0.006970 0.003116 0.002885 0.003477 42 C 3 ZZ -0.000852 -0.010461 0.001384 0.002673 -0.009404 43 C 3 XY -0.005348 -0.002582 -0.006168 -0.006031 -0.011687 44 C 3 XZ 0.000118 0.001473 -0.001423 -0.001283 0.000859 45 C 3 YZ -0.000429 0.001804 -0.000407 -0.000522 0.000131 46 C 4 S 0.005844 -0.010731 0.008790 0.006753 0.003694 47 C 4 S -0.063029 0.114944 -0.114182 -0.093905 -0.054793 48 C 4 S -0.066617 0.115476 -0.106820 -0.093696 -0.047598 49 C 4 X -0.011114 -0.006159 0.022179 0.004034 -0.059042 50 C 4 Y -0.022293 -0.048630 -0.038848 -0.003413 -0.036586 51 C 4 Z 0.008596 0.002498 -0.000160 -0.015049 0.006716 52 C 4 X -0.000324 -0.003026 0.009682 0.005101 -0.032543 53 C 4 Y -0.003353 -0.030374 -0.019088 0.003117 -0.012057 54 C 4 Z 0.002236 0.006404 -0.014798 -0.016576 -0.006819 55 C 4 XX 0.003861 0.003780 0.003371 0.000593 0.005756 56 C 4 YY -0.004136 -0.000492 0.000346 0.002145 -0.002772 57 C 4 ZZ 0.000275 -0.003288 -0.003717 -0.002737 -0.002984 58 C 4 XY 0.002180 0.001372 -0.001380 -0.002564 0.010608 59 C 4 XZ 0.000719 -0.000459 -0.002039 0.000340 0.003635 60 C 4 YZ 0.002800 0.005289 0.004166 -0.000627 0.003106 61 S 5 S 0.000040 -0.000118 0.000013 -0.000080 -0.000085 62 S 5 S 0.001318 -0.004506 -0.000949 -0.000709 0.001538 63 S 5 S -0.042464 0.150625 0.054394 0.007575 -0.132350 64 S 5 S -0.032223 0.109879 0.042037 0.010693 -0.103235 65 S 5 X -0.001304 0.004885 0.000905 -0.000304 -0.002217 66 S 5 Y 0.000246 0.001286 0.003082 0.002319 -0.000626 67 S 5 Z 0.000266 -0.000973 0.000183 0.000507 0.000506 68 S 5 X 0.013541 -0.051274 -0.009350 0.003305 0.023322 69 S 5 Y -0.004777 -0.020087 -0.046704 -0.036537 0.004566 70 S 5 Z -0.002396 0.008056 -0.003334 -0.005876 -0.003877 71 S 5 X 0.004176 -0.014954 -0.002440 -0.000661 0.005197 72 S 5 Y 0.000676 -0.003225 -0.012687 -0.010676 0.005027 73 S 5 Z -0.000300 0.002744 0.000182 -0.001645 -0.000237 74 S 5 XX -0.002025 0.008125 -0.002194 -0.003449 -0.000596 75 S 5 YY -0.001377 0.004850 0.006657 0.004946 -0.005986 76 S 5 ZZ 0.003402 -0.012975 -0.004463 -0.001497 0.006581 77 S 5 XY 0.002056 0.005925 0.017468 0.012875 -0.000232 78 S 5 XZ 0.001333 -0.004303 0.001293 0.002382 0.001926 79 S 5 YZ -0.000982 0.001774 -0.001603 -0.001927 -0.001322 80 S 5 XX -0.000231 0.001144 -0.000246 -0.000544 0.000085 81 S 5 YY -0.000289 0.000883 0.001080 0.000829 -0.001276 82 S 5 ZZ 0.000520 -0.002026 -0.000833 -0.000285 0.001190 83 S 5 XY 0.000326 0.000926 0.002605 0.001966 -0.000024 84 S 5 XZ 0.000215 -0.000684 0.000215 0.000411 0.000359 85 S 5 YZ -0.000132 0.000329 -0.000237 -0.000320 -0.000275 86 H 6 S 0.001559 0.045432 0.040608 0.019170 0.029878 87 H 6 S -0.003941 0.005423 0.003474 0.005816 0.005925 88 H 6 X -0.000056 0.005743 0.005762 0.003648 0.001630 89 H 6 Y 0.000698 0.005297 0.003712 0.001092 0.004565 90 H 6 Z 0.000022 0.000041 -0.000013 -0.000008 0.000198 91 C 7 S 0.003915 0.008191 0.002599 -0.011696 -0.000817 92 C 7 S -0.057806 -0.109426 -0.051120 0.194144 0.016557 93 C 7 S -0.065291 -0.098486 -0.049314 0.164311 0.022011 94 C 7 X -0.059284 0.004866 -0.002925 -0.070343 -0.035158 95 C 7 Y -0.027629 -0.011829 0.061973 -0.009061 0.012249 96 C 7 Z 0.008506 0.001085 0.003190 0.008215 0.011712 97 C 7 X 0.004151 0.006095 0.000300 -0.017046 -0.009645 98 C 7 Y 0.012346 -0.002432 0.022785 -0.002627 0.003541 99 C 7 Z -0.000258 -0.000420 -0.002332 0.005454 0.002824 100 C 7 XX -0.001068 -0.002850 -0.006020 0.003504 -0.006340 101 C 7 YY -0.005085 -0.005296 0.004110 0.007142 0.007449 102 C 7 ZZ 0.006154 0.008146 0.001909 -0.010647 -0.001109 103 C 7 XY 0.004245 -0.003650 0.002216 0.008487 0.006905 104 C 7 XZ 0.002467 0.002164 0.002585 -0.003244 0.000599 105 C 7 YZ -0.001064 -0.000283 0.000134 -0.001197 -0.001445 106 C 8 S 0.008672 0.006958 -0.011736 0.006697 -0.005285 107 C 8 S -0.135831 -0.107494 0.175967 -0.106869 0.069809 108 C 8 S -0.096990 -0.087328 0.166785 -0.083774 0.090546 109 C 8 X 0.007703 0.012283 0.004240 -0.049572 -0.004164 110 C 8 Y 0.034141 0.020707 0.005274 0.008768 0.032160 111 C 8 Z 0.005606 0.003778 0.000148 0.000369 0.004737 112 C 8 X -0.001959 -0.006087 0.012951 -0.017738 0.004233 113 C 8 Y -0.007277 -0.002014 0.008052 -0.018860 0.002520 114 C 8 Z -0.000342 0.000514 0.000062 -0.002966 -0.000529 115 C 8 XX -0.003082 -0.004404 0.005680 0.005425 0.005048 116 C 8 YY -0.006378 -0.003579 0.007001 -0.011232 0.001067 117 C 8 ZZ 0.009460 0.007983 -0.012680 0.005806 -0.006115 118 C 8 XY 0.000006 0.000417 0.001453 -0.001929 0.002124 119 C 8 XZ -0.000430 -0.000447 0.001015 -0.000233 0.000833 120 C 8 YZ -0.002345 -0.001665 0.002901 -0.002536 0.000953 121 C 9 S 0.010584 0.003314 0.008284 0.002044 0.008610 122 C 9 S -0.131673 -0.041182 -0.109100 -0.025554 -0.111655 123 C 9 S -0.100495 -0.022904 -0.090235 -0.023344 -0.103934 124 C 9 X -0.010325 0.010824 0.022960 -0.060288 -0.023360 125 C 9 Y -0.023879 -0.050804 0.043442 0.020029 0.008309 126 C 9 Z -0.006548 0.005557 -0.004248 -0.007920 0.011973 127 C 9 X -0.004977 0.005340 0.007391 -0.026093 -0.003307 128 C 9 Y -0.013185 -0.011458 0.020188 0.008498 0.013573 129 C 9 Z 0.007249 0.010587 0.016420 -0.002752 0.017232 130 C 9 XX 0.001078 -0.004690 0.001408 0.007684 0.002856 131 C 9 YY -0.003273 0.002729 0.002536 -0.006428 0.000930 132 C 9 ZZ 0.002196 0.001961 -0.003944 -0.001256 -0.003786 133 C 9 XY -0.002247 -0.000184 0.003520 -0.009003 -0.001450 134 C 9 XZ -0.001044 0.000727 0.001398 -0.003742 -0.002104 135 C 9 YZ -0.001856 -0.005623 0.004810 0.003204 0.000852 136 C 10 S -0.007696 0.006277 0.002058 -0.010007 -0.004101 137 C 10 S 0.124899 -0.093951 -0.033140 0.162626 0.023627 138 C 10 S 0.084935 -0.062971 -0.016431 0.103680 0.034484 139 C 10 X -0.052997 0.002355 -0.052034 0.052906 0.057405 140 C 10 Y -0.045153 -0.017060 0.000300 0.072814 -0.036935 141 C 10 Z 0.002195 0.004038 0.003949 -0.008430 0.000095 142 C 10 X 0.021179 0.016601 0.013503 -0.012446 -0.002318 143 C 10 Y -0.001689 0.021755 0.001587 0.004464 -0.019396 144 C 10 Z 0.000645 -0.003197 0.001585 -0.001951 -0.002932 145 C 10 XX 0.004319 -0.004429 0.000012 0.007245 -0.010565 146 C 10 YY 0.005373 -0.001335 -0.000559 -0.000200 0.011272 147 C 10 ZZ -0.009693 0.005764 0.000547 -0.007046 -0.000707 148 C 10 XY -0.000101 -0.005304 0.000059 0.006533 -0.000883 149 C 10 XZ -0.001670 0.001058 0.000599 -0.002169 0.000496 150 C 10 YZ 0.000917 0.000070 0.000625 -0.001399 -0.000885 151 C 11 S -0.009851 -0.000258 0.001407 0.001326 -0.010131 152 C 11 S 0.151008 0.000480 -0.024080 -0.054567 0.167390 153 C 11 S 0.103120 -0.017129 -0.014440 -0.028096 0.074225 154 C 11 X -0.041945 0.043732 -0.047822 0.019752 0.073855 155 C 11 Y 0.020749 -0.039321 -0.012416 0.061368 -0.038065 156 C 11 Z -0.000356 0.003002 -0.002550 -0.000808 0.006558 157 C 11 X 0.014159 -0.033415 0.006743 -0.001020 -0.014840 158 C 11 Y 0.004237 0.023161 -0.006928 0.009606 0.002076 159 C 11 Z 0.004625 -0.002728 0.001366 -0.003195 -0.005712 160 C 11 XX 0.006631 0.001878 0.000504 -0.013618 0.004484 161 C 11 YY 0.004293 -0.003147 -0.000980 0.010114 0.002647 162 C 11 ZZ -0.010925 0.001270 0.000476 0.003504 -0.007131 163 C 11 XY -0.003190 -0.003828 -0.000234 0.000713 -0.004660 164 C 11 XZ 0.000704 -0.000148 -0.000240 -0.001022 0.000606 165 C 11 YZ -0.000250 0.000121 -0.000037 0.000255 -0.000227 166 C 12 S -0.000105 -0.000157 0.000520 -0.000355 -0.001696 167 C 12 S 0.133436 -0.069538 0.058367 0.028465 -0.133378 168 C 12 S 0.074153 -0.025098 0.040108 0.013677 -0.067997 169 C 12 X 0.030838 -0.025966 -0.011383 0.069792 0.026850 170 C 12 Y -0.068587 0.027872 -0.032747 0.027647 0.056087 171 C 12 Z -0.027449 0.012876 -0.013318 0.005050 0.027540 172 C 12 X 0.023602 -0.010891 0.006288 0.014050 -0.009142 173 C 12 Y -0.025805 0.009577 -0.014888 -0.006957 0.031513 174 C 12 Z -0.023058 0.009066 -0.009957 0.003602 0.015506 175 C 12 XX 0.005572 -0.005228 -0.000449 0.008218 0.000183 176 C 12 YY 0.002907 0.000521 0.003100 -0.007485 -0.004250 177 C 12 ZZ -0.008479 0.004707 -0.002651 -0.000734 0.004067 178 C 12 XY 0.000106 -0.001298 0.002332 -0.002192 -0.006364 179 C 12 XZ 0.001482 -0.000032 0.001320 -0.002784 -0.002468 180 C 12 YZ 0.003579 -0.001654 0.001788 -0.001372 -0.002922 181 C 13 S 0.000472 0.000127 0.000822 -0.000966 -0.001513 182 C 13 S 0.134498 -0.052355 0.088524 -0.104120 -0.161888 183 C 13 S 0.060821 -0.026338 0.041379 -0.059939 -0.090066 184 C 13 X 0.071611 -0.027302 0.033068 -0.032572 -0.043259 185 C 13 Y 0.001548 -0.005447 0.000084 0.034723 -0.026339 186 C 13 Z 0.036567 -0.014516 0.019220 -0.017137 -0.031706 187 C 13 X 0.024801 -0.011697 0.019858 -0.025924 -0.040850 188 C 13 Y -0.002295 -0.000508 -0.000195 0.006130 -0.007134 189 C 13 Z 0.027625 -0.011226 0.012215 -0.014449 -0.024123 190 C 13 XX 0.002727 -0.000901 0.000257 -0.000059 0.001324 191 C 13 YY 0.005981 -0.002434 0.003275 -0.003069 -0.005553 192 C 13 ZZ -0.008708 0.003335 -0.003532 0.003127 0.004229 193 C 13 XY -0.000827 -0.000620 -0.000485 0.005575 -0.003143 194 C 13 XZ 0.004370 -0.001769 0.001675 -0.001120 -0.002023 195 C 13 YZ 0.001772 -0.000725 0.000781 0.000678 -0.002301 196 C 14 S 0.000356 -0.000158 0.000919 -0.001359 -0.001810 197 C 14 S 0.140052 -0.034931 0.062746 -0.132748 -0.020251 198 C 14 S 0.068914 -0.023276 0.034620 -0.067919 -0.000156 199 C 14 X 0.028608 0.005983 -0.012528 -0.002439 0.082392 200 C 14 Y 0.076507 -0.025380 0.033188 -0.045108 -0.037387 201 C 14 Z -0.011184 0.004488 -0.007395 0.011319 0.012711 202 C 14 X 0.021239 -0.003395 0.002581 -0.011499 0.018463 203 C 14 Y 0.031738 -0.011516 0.017915 -0.032242 -0.004880 204 C 14 Z -0.014025 0.006549 -0.005618 0.004667 0.011431 205 C 14 XX 0.007221 0.001039 0.000617 -0.004743 0.006283 206 C 14 YY 0.002456 -0.002966 0.002606 -0.000013 -0.007544 207 C 14 ZZ -0.009677 0.001927 -0.003224 0.004756 0.001262 208 C 14 XY -0.000120 -0.000010 -0.002948 0.004399 0.008446 209 C 14 XZ 0.002663 -0.000804 0.001111 -0.001661 -0.001422 210 C 14 YZ -0.000843 0.000030 -0.000633 0.000824 0.000888 211 F 15 S -0.000488 0.000227 -0.000221 -0.000002 0.000451 212 F 15 S -0.052884 0.026765 -0.021069 -0.008029 0.045688 213 F 15 S -0.063533 0.032458 -0.026939 -0.012167 0.060665 214 F 15 X 0.014357 -0.009538 0.001614 0.020912 -0.004524 215 F 15 Y -0.019688 0.008215 -0.011089 0.008377 0.022011 216 F 15 Z -0.033900 0.017212 -0.021032 -0.005252 0.054335 217 F 15 X 0.007157 -0.004394 0.001523 0.009306 -0.003068 218 F 15 Y -0.005202 0.001888 -0.003460 0.004875 0.007362 219 F 15 Z -0.020495 0.010667 -0.012507 -0.003195 0.032776 220 F 15 XX -0.000882 0.000393 -0.000664 0.000372 0.001616 221 F 15 YY -0.001077 0.000598 -0.000566 -0.000413 0.001481 222 F 15 ZZ 0.001959 -0.000991 0.001230 0.000042 -0.003096 223 F 15 XY -0.000440 0.000168 -0.000150 0.000044 0.000249 224 F 15 XZ -0.001372 0.000858 -0.000355 -0.001260 0.000863 225 F 15 YZ 0.001353 -0.000565 0.000722 -0.000509 -0.001410 226 F 16 S -0.000018 0.000260 -0.000179 -0.000562 0.000788 227 F 16 S -0.041162 0.025799 -0.017705 -0.019152 0.043566 228 F 16 S -0.055178 0.031959 -0.023568 -0.020762 0.055268 229 F 16 X 0.011528 -0.011180 0.001712 0.028858 -0.005085 230 F 16 Y -0.032443 0.016954 -0.019599 -0.009037 0.056091 231 F 16 Z 0.004422 -0.003286 0.003531 0.007997 -0.013164 232 F 16 X 0.003214 -0.004984 0.000421 0.015372 -0.001309 233 F 16 Y -0.016221 0.009406 -0.010067 -0.006306 0.031915 234 F 16 Z 0.006393 -0.004081 0.003737 0.006068 -0.011761 235 F 16 XX -0.000734 0.000278 -0.000532 0.000286 0.001593 236 F 16 YY 0.001750 -0.000849 0.001046 -0.000105 -0.002765 237 F 16 ZZ -0.001016 0.000571 -0.000514 -0.000181 0.001173 238 F 16 XY -0.001083 0.000763 -0.000225 -0.001452 0.000761 239 F 16 XZ 0.000320 -0.000309 0.000015 0.000864 -0.000166 240 F 16 YZ -0.000864 0.000560 -0.000543 -0.000624 0.001766 241 F 17 S -0.000155 -0.000169 -0.000255 0.000846 -0.000148 242 F 17 S -0.045647 0.007621 -0.019540 0.045768 -0.001174 243 F 17 S -0.059361 0.011986 -0.024981 0.057106 0.000616 244 F 17 X 0.009438 0.002316 -0.000192 -0.007358 0.025047 245 F 17 Y 0.033391 -0.008513 0.019609 -0.049049 -0.008478 246 F 17 Z 0.013035 -0.001846 0.008574 -0.026105 0.003195 247 F 17 X 0.002214 0.002140 -0.000631 -0.002305 0.013079 248 F 17 Y 0.016007 -0.003319 0.010003 -0.027227 -0.004288 249 F 17 Z 0.010826 -0.001739 0.006741 -0.018802 0.001055 250 F 17 XX -0.000981 0.000288 -0.000596 0.001505 0.000431 251 F 17 YY 0.001515 -0.000465 0.000833 -0.001736 -0.000782 252 F 17 ZZ -0.000534 0.000177 -0.000238 0.000230 0.000351 253 F 17 XY 0.000643 0.000022 0.000007 -0.000452 0.001121 254 F 17 XZ 0.000418 0.000093 -0.000022 -0.000318 0.001030 255 F 17 YZ 0.001711 -0.000322 0.000968 -0.002591 -0.000176 256 F 18 S -0.000458 0.000213 -0.000252 0.000308 0.000422 257 F 18 S -0.054025 0.012654 -0.022144 0.046040 0.006516 258 F 18 S -0.065066 0.014063 -0.027916 0.062248 0.004035 259 F 18 X 0.014219 -0.000130 0.001886 -0.014060 0.022101 260 F 18 Y 0.027785 -0.008574 0.015516 -0.029901 -0.014399 261 F 18 Z -0.028189 0.007361 -0.018566 0.044396 0.010278 262 F 18 X 0.007732 -0.000709 0.002103 -0.007729 0.008617 263 F 18 Y 0.010333 -0.003319 0.006280 -0.012880 -0.007119 264 F 18 Z -0.018764 0.004830 -0.011893 0.028000 0.006957 265 F 18 XX -0.000880 0.000354 -0.000673 0.001243 0.001008 266 F 18 YY -0.000300 -0.000027 -0.000184 0.000743 -0.000289 267 F 18 ZZ 0.001180 -0.000326 0.000857 -0.001986 -0.000720 268 F 18 XY 0.000809 -0.000186 0.000252 -0.000624 0.000226 269 F 18 XZ -0.001251 0.000120 -0.000357 0.001254 -0.000969 270 F 18 YZ -0.002082 0.000622 -0.001140 0.002189 0.001010 271 C 19 S 0.002937 0.002299 -0.007100 0.005952 -0.004524 272 C 19 S -0.052612 -0.043761 0.125114 -0.099899 0.079454 273 C 19 S -0.012798 -0.009814 0.050193 -0.042281 0.038364 274 C 19 X 0.012685 0.011045 -0.023027 0.010146 -0.013106 275 C 19 Y 0.020665 0.016458 -0.034887 0.024992 -0.015691 276 C 19 Z 0.002996 0.002455 -0.005152 0.003450 -0.002350 277 C 19 X -0.002044 -0.000710 -0.001128 -0.001740 -0.002635 278 C 19 Y -0.002398 -0.002977 0.003981 -0.002442 0.002163 279 C 19 Z -0.000138 -0.000716 0.001122 0.000092 0.000826 280 C 19 XX 0.000756 0.000100 -0.000065 0.001559 0.000670 281 C 19 YY -0.002786 -0.001831 0.003830 -0.004110 0.001195 282 C 19 ZZ 0.002030 0.001731 -0.003765 0.002551 -0.001864 283 C 19 XY -0.003545 -0.003232 0.006321 -0.002860 0.003431 284 C 19 XZ -0.000505 -0.000446 0.000925 -0.000464 0.000478 285 C 19 YZ -0.000765 -0.000601 0.001291 -0.001024 0.000533 286 H 20 S -0.018509 -0.015009 0.047642 -0.043029 0.030947 287 H 20 S -0.000797 -0.001506 0.004737 -0.003534 0.004331 288 H 20 X 0.003227 0.002584 -0.007483 0.006471 -0.004709 289 H 20 Y -0.000105 0.000004 0.000608 -0.001093 0.000425 290 H 20 Z 0.000122 0.000141 -0.000318 0.000143 -0.000204 291 H 21 S -0.017857 -0.015330 0.048027 -0.038799 0.032982 292 H 21 S 0.000682 0.000620 0.000750 -0.001383 0.001443 293 H 21 X -0.000132 -0.000113 0.000807 -0.000885 0.000645 294 H 21 Y 0.001944 0.001692 -0.005127 0.004094 -0.003345 295 H 21 Z -0.001992 -0.001719 0.005248 -0.004112 0.003591 296 C 22 S 0.000578 -0.003760 -0.006556 -0.006265 0.004043 297 C 22 S -0.008096 0.067449 0.114094 0.105727 -0.073751 298 C 22 S -0.004367 0.016752 0.042486 0.045446 -0.035667 299 C 22 X 0.001350 -0.014500 -0.019115 -0.014230 0.005019 300 C 22 Y -0.003814 0.027587 0.034148 0.025612 -0.019728 301 C 22 Z -0.000256 0.002170 0.002708 0.001988 -0.001137 302 C 22 X 0.000132 0.002035 0.003218 0.002345 -0.003150 303 C 22 Y -0.000876 -0.003178 -0.002406 -0.001506 -0.000710 304 C 22 Z -0.000064 0.000154 -0.000745 -0.001042 -0.000145 305 C 22 XX 0.000461 -0.001158 -0.001070 -0.000787 0.002172 306 C 22 YY -0.000894 0.003770 0.004620 0.003664 -0.004018 307 C 22 ZZ 0.000433 -0.002612 -0.003550 -0.002877 0.001846 308 C 22 XY 0.000408 -0.004449 -0.005188 -0.003731 0.001480 309 C 22 XZ -0.000015 -0.000278 -0.000485 -0.000369 0.000022 310 C 22 YZ -0.000075 0.000612 0.000728 0.000498 -0.000369 311 H 23 S -0.002486 0.023902 0.044587 0.043118 -0.027352 312 H 23 S -0.000366 0.001611 0.004158 0.004323 -0.003102 313 H 23 X -0.000160 0.002231 0.004190 0.004025 -0.002300 314 H 23 Y -0.000413 0.003506 0.005682 0.005207 -0.003451 315 H 23 Z -0.000018 0.000118 0.000226 0.000220 -0.000098 316 H 24 S -0.002871 0.022798 0.042738 0.041928 -0.030518 317 H 24 S 0.000031 -0.000908 0.000423 0.001520 -0.001033 318 H 24 X 0.000242 -0.002174 -0.004203 -0.004017 0.002758 319 H 24 Y -0.000135 0.001024 0.001513 0.001274 -0.001013 320 H 24 Z 0.000388 -0.002638 -0.004823 -0.004727 0.003549 321 H 25 S -0.002979 0.022939 0.042629 0.041832 -0.030941 322 H 25 S 0.000020 -0.000720 0.000277 0.001399 -0.001188 323 H 25 X 0.000239 -0.002003 -0.003792 -0.003642 0.002540 324 H 25 Y -0.000102 0.000732 0.000989 0.000796 -0.000601 325 H 25 Z -0.000439 0.002914 0.005257 0.005148 -0.003872 326 C 26 S 0.002404 0.000866 0.003414 0.001239 0.005088 327 C 26 S -0.057100 -0.016457 -0.068459 -0.011746 -0.086203 328 C 26 S -0.012812 -0.001582 -0.017608 -0.008355 -0.031647 329 C 26 X -0.002148 0.001715 0.003148 -0.009002 -0.006000 330 C 26 Y -0.007947 -0.009099 0.000846 0.002270 -0.004982 331 C 26 Z -0.026447 -0.006973 -0.025697 -0.004643 -0.025745 332 C 26 X -0.002084 -0.003168 -0.003599 0.005892 -0.000259 333 C 26 Y -0.000317 0.006254 -0.000411 -0.000322 -0.001672 334 C 26 Z 0.001109 0.001724 0.000794 -0.002764 -0.001952 335 C 26 XX 0.002997 0.000909 0.002283 0.000258 0.002652 336 C 26 YY 0.002511 0.000323 0.002850 0.000989 0.002798 337 C 26 ZZ -0.005507 -0.001231 -0.005132 -0.001247 -0.005450 338 C 26 XY 0.000347 0.000099 -0.000046 -0.000095 -0.000058 339 C 26 XZ -0.000405 0.000139 0.000228 -0.000915 -0.000984 340 C 26 YZ -0.001858 -0.001357 -0.000793 0.000039 -0.001710 341 H 27 S -0.016472 -0.002476 -0.028969 -0.002054 -0.029228 342 H 27 S -0.005812 -0.000747 -0.004374 0.002556 -0.006605 343 H 27 X -0.002397 0.000009 -0.003313 -0.000740 -0.003819 344 H 27 Y -0.002360 -0.001109 -0.002922 0.000045 -0.003096 345 H 27 Z -0.001631 -0.000400 -0.000937 -0.000299 -0.001763 346 H 28 S -0.021908 -0.011182 -0.022681 -0.001989 -0.033962 347 H 28 S 0.003060 -0.000867 -0.003749 -0.000577 -0.002366 348 H 28 X -0.000519 -0.000091 -0.000339 -0.000773 -0.001173 349 H 28 Y 0.002520 0.001016 0.003537 0.000479 0.004640 350 H 28 Z -0.001400 -0.000406 -0.002453 -0.000375 -0.002691 351 H 29 S -0.019195 -0.002133 -0.024132 -0.009613 -0.037640 352 H 29 S 0.000226 0.003071 0.000372 -0.004470 -0.004493 353 H 29 X 0.002513 0.000274 0.003479 0.001015 0.004805 354 H 29 Y -0.001334 -0.000902 -0.001248 -0.000522 -0.002262 355 H 29 Z -0.001384 -0.000160 -0.001483 -0.000115 -0.001905 356 C 30 S 0.001070 -0.002106 0.003927 0.004155 0.002677 357 C 30 S -0.030833 0.054009 -0.075048 -0.076066 -0.038735 358 C 30 S -0.004045 0.010601 -0.020025 -0.026990 -0.017251 359 C 30 X -0.001780 -0.000851 0.004975 -0.000649 -0.009756 360 C 30 Y -0.000904 -0.012308 0.000152 0.004993 -0.001860 361 C 30 Z 0.014270 -0.023804 0.027226 0.023113 0.013279 362 C 30 X -0.000728 0.002309 -0.002454 -0.001714 0.007781 363 C 30 Y 0.005581 0.007386 -0.000378 -0.001438 0.000251 364 C 30 Z 0.000022 0.001964 -0.000079 0.001138 0.000649 365 C 30 XX 0.001824 -0.002887 0.002473 0.002322 0.001186 366 C 30 YY 0.001399 -0.001863 0.002891 0.002347 0.001684 367 C 30 ZZ -0.003223 0.004750 -0.005364 -0.004670 -0.002869 368 C 30 XY -0.000075 0.000355 -0.000111 -0.000351 -0.000175 369 C 30 XZ 0.000260 0.000381 -0.000597 -0.000308 0.000628 370 C 30 YZ -0.000490 0.001942 -0.001017 -0.001422 -0.000130 371 H 31 S -0.008753 0.024294 -0.025039 -0.030341 -0.013644 372 H 31 S 0.002968 -0.000596 -0.004592 -0.003656 -0.001451 373 H 31 X -0.000080 -0.000220 0.000509 0.000316 -0.000765 374 H 31 Y -0.001219 0.002430 -0.003820 -0.004145 -0.001985 375 H 31 Z 0.000822 -0.001447 0.002709 0.002477 0.001379 376 H 32 S -0.009883 0.014859 -0.031492 -0.026720 -0.010162 377 H 32 S -0.006631 0.003838 -0.004140 -0.005315 0.002883 378 H 32 X -0.001759 0.002092 -0.004013 -0.003834 -0.001901 379 H 32 Y 0.000637 -0.002234 0.002377 0.002260 0.000529 380 H 32 Z 0.001193 -0.001629 0.001392 0.001792 0.001077 381 H 33 S -0.013613 0.015310 -0.027255 -0.030959 -0.021409 382 H 33 S -0.002336 -0.001986 -0.000614 -0.001577 -0.005391 383 H 33 X 0.001770 -0.001648 0.003669 0.003534 0.002047 384 H 33 Y 0.000855 -0.002164 0.002237 0.002665 0.001775 385 H 33 Z 0.000729 -0.001290 0.001268 0.001326 0.000460 386 H 34 S -0.017852 -0.015158 0.047596 -0.038708 0.032691 387 H 34 S 0.000459 0.000837 0.000149 -0.001434 0.001105 388 H 34 X -0.000340 -0.000269 0.001281 -0.001304 0.000970 389 H 34 Y 0.001496 0.001266 -0.003825 0.003117 -0.002464 390 H 34 Z 0.002367 0.002037 -0.006142 0.004787 -0.004181 391 F 35 S -0.000209 0.000135 -0.000535 0.000630 0.001121 392 F 35 S -0.041596 0.016482 -0.029760 0.036669 0.057330 393 F 35 S -0.054227 0.020996 -0.036642 0.046729 0.071886 394 F 35 X 0.034287 -0.013767 0.032188 -0.045206 -0.070584 395 F 35 Y 0.002304 -0.001320 0.002323 0.003578 -0.010956 396 F 35 Z 0.000423 -0.000149 -0.002689 0.006105 0.008674 397 F 35 X 0.017234 -0.006836 0.017760 -0.025161 -0.039430 398 F 35 Y 0.001726 -0.001257 0.001668 0.002096 -0.006865 399 F 35 Z -0.004265 0.001800 -0.004288 0.006816 0.010390 400 F 35 XX 0.002171 -0.000850 0.001789 -0.002419 -0.003626 401 F 35 YY -0.000957 0.000369 -0.000868 0.001286 0.001795 402 F 35 ZZ -0.001214 0.000481 -0.000920 0.001134 0.001831 403 F 35 XY 0.000275 -0.000194 0.000254 0.000236 -0.001000 404 F 35 XZ -0.000355 0.000143 -0.000567 0.000968 0.001420 405 F 35 YZ 0.000002 0.000027 -0.000031 -0.000147 0.000263 406 F 36 S -0.000277 0.000065 -0.000129 0.000218 0.000392 407 F 36 S -0.055791 0.021876 -0.031583 0.035320 0.056034 408 F 36 S -0.069201 0.027743 -0.042707 0.048772 0.077173 409 F 36 X 0.020237 -0.007995 0.010097 -0.009786 -0.014363 410 F 36 Y -0.002160 -0.000327 -0.002445 0.014062 -0.002603 411 F 36 Z 0.041449 -0.016729 0.033874 -0.042993 -0.071207 412 F 36 X 0.004613 -0.001613 0.002022 -0.001519 -0.001647 413 F 36 Y -0.001764 0.000393 -0.001643 0.006683 0.000328 414 F 36 Z 0.023725 -0.009347 0.019533 -0.024965 -0.041168 415 F 36 XX -0.001293 0.000512 -0.001052 0.001343 0.002144 416 F 36 YY -0.001413 0.000567 -0.001012 0.001142 0.002017 417 F 36 ZZ 0.002706 -0.001079 0.002064 -0.002485 -0.004160 418 F 36 XY -0.000104 0.000025 -0.000057 0.000144 0.000027 419 F 36 XZ 0.001269 -0.000485 0.000590 -0.000572 -0.000793 420 F 36 YZ -0.000334 0.000067 -0.000285 0.000981 0.000112 421 C 37 S 0.009884 0.005687 -0.004458 0.008331 0.002920 422 C 37 S -0.133663 -0.080275 0.065377 -0.104712 -0.034446 423 C 37 S -0.073204 -0.041239 0.018761 -0.075495 -0.045739 424 C 37 X 0.042999 0.027208 -0.002249 0.004461 0.014681 425 C 37 Y -0.016122 -0.025897 0.074495 -0.025880 0.047798 426 C 37 Z 0.002577 0.000512 0.009150 -0.002463 0.010527 427 C 37 X 0.017320 0.011344 -0.000985 0.018897 0.014902 428 C 37 Y -0.003982 0.005800 -0.003117 -0.012874 -0.008391 429 C 37 Z -0.000889 0.001389 -0.001503 -0.001321 0.000350 430 C 37 XX 0.000572 -0.000395 -0.004487 0.004217 -0.002376 431 C 37 YY -0.006567 -0.002696 0.004493 -0.007487 -0.000479 432 C 37 ZZ 0.005994 0.003091 -0.000007 0.003269 0.002855 433 C 37 XY -0.001155 0.001421 -0.008642 0.000290 -0.006153 434 C 37 XZ -0.001067 -0.000803 -0.001060 0.000106 -0.001706 435 C 37 YZ -0.002429 -0.001136 0.000254 -0.001711 -0.001639 436 S 38 S -0.000135 -0.000237 0.000173 0.000140 0.000054 437 S 38 S 0.001675 0.001091 -0.000858 -0.000580 -0.000884 438 S 38 S -0.114946 -0.124326 0.119564 0.103027 0.082281 439 S 38 S -0.087710 -0.087305 0.091117 0.080393 0.065839 440 S 38 X 0.002597 0.002143 -0.003226 0.001083 -0.001328 441 S 38 Y -0.002298 -0.003053 0.000703 0.003687 0.000836 442 S 38 Z -0.000066 0.000012 -0.000128 0.000106 -0.000053 443 S 38 X -0.036087 -0.025212 0.045017 -0.028770 0.017852 444 S 38 Y 0.025977 0.032698 -0.001734 -0.050674 -0.003387 445 S 38 Z 0.000941 0.000587 0.001750 -0.000971 0.002397 446 S 38 X -0.008842 -0.009245 0.014168 -0.004554 0.003944 447 S 38 Y 0.010783 0.007277 -0.000303 -0.011143 -0.000860 448 S 38 Z 0.000759 -0.000505 0.001133 -0.000810 0.000279 449 S 38 XX -0.008037 -0.005080 0.015857 -0.014176 0.006487 450 S 38 YY -0.002364 -0.005696 -0.007366 0.020193 -0.001834 451 S 38 ZZ 0.010401 0.010776 -0.008491 -0.006017 -0.004653 452 S 38 XY 0.005098 0.001262 -0.002276 0.006049 0.001950 453 S 38 XZ -0.000319 -0.000300 0.000680 -0.000142 0.000605 454 S 38 YZ -0.000584 -0.000414 -0.000157 0.000655 -0.000460 455 S 38 XX -0.001187 -0.000684 0.002432 -0.002219 0.001008 456 S 38 YY -0.000515 -0.001109 -0.001002 0.003321 -0.000152 457 S 38 ZZ 0.001703 0.001793 -0.001429 -0.001101 -0.000856 458 S 38 XY 0.000581 0.000098 -0.000154 0.000883 0.000326 459 S 38 XZ -0.000047 -0.000050 0.000147 -0.000039 0.000114 460 S 38 YZ -0.000129 -0.000105 -0.000014 0.000067 -0.000070 461 H 39 S -0.038169 -0.019763 0.021471 -0.047166 -0.015729 462 H 39 S -0.004749 -0.002226 0.001874 -0.009237 -0.005153 463 H 39 X 0.006372 0.003234 -0.003371 0.006777 0.002116 464 H 39 Y -0.001575 -0.001738 0.003289 -0.001795 0.001528 465 H 39 Z -0.000084 0.000019 0.000370 -0.000392 0.000188 46 47 48 49 50 -1.0246 -0.9966 -0.9894 -0.9636 -0.9519 A A A A A 1 C 1 S 0.003118 0.001426 -0.003068 0.000569 -0.000330 2 C 1 S -0.047597 -0.011756 0.026248 0.005754 0.014390 3 C 1 S -0.047132 -0.015735 0.070387 -0.010155 -0.003433 4 C 1 X 0.023833 -0.007863 0.120259 0.026568 0.039299 5 C 1 Y 0.044426 0.024573 -0.075378 0.094490 0.088343 6 C 1 Z 0.002379 0.002530 -0.010488 0.001026 0.000760 7 C 1 X 0.001244 -0.002668 0.043935 0.001172 0.010196 8 C 1 Y 0.023443 0.011119 -0.049328 0.059495 0.059474 9 C 1 Z 0.000052 0.000067 -0.005458 0.003338 0.002100 10 C 1 XX -0.003152 0.000389 -0.009420 -0.001052 -0.001765 11 C 1 YY 0.000454 -0.001601 0.013164 0.001266 0.002685 12 C 1 ZZ 0.002698 0.001212 -0.003744 -0.000214 -0.000920 13 C 1 XY 0.007933 0.002762 -0.001367 0.014333 0.014360 14 C 1 XZ 0.000880 0.000239 0.000280 0.000449 0.000577 15 C 1 YZ -0.000606 -0.000253 0.001035 -0.001218 -0.000986 16 C 2 S 0.004244 0.000741 0.011657 0.003622 0.003099 17 C 2 S -0.065583 0.009748 -0.179369 -0.042293 -0.052280 18 C 2 S -0.028192 -0.008584 -0.129410 -0.049454 -0.021735 19 C 2 X -0.003485 -0.001091 -0.002631 0.017152 0.013209 20 C 2 Y 0.008307 0.010865 -0.051648 0.008131 0.003167 21 C 2 Z 0.004077 0.001401 0.000135 -0.001878 -0.000740 22 C 2 X -0.004210 -0.004160 -0.017492 0.002227 0.006705 23 C 2 Y 0.002182 -0.010547 -0.012556 -0.019567 -0.008350 24 C 2 Z 0.000545 0.000493 0.000485 -0.002751 -0.000587 25 C 2 XX -0.002201 -0.000709 -0.000653 0.001987 0.003105 26 C 2 YY 0.000078 0.001209 -0.006923 -0.002910 -0.004359 27 C 2 ZZ 0.002123 -0.000499 0.007576 0.000923 0.001254 28 C 2 XY 0.005759 0.001129 0.000429 0.005726 0.004378 29 C 2 XZ 0.000362 -0.000086 0.000445 0.000288 0.000253 30 C 2 YZ 0.000119 0.000249 -0.000718 -0.001135 -0.000780 31 C 3 S 0.000592 0.000852 0.006290 0.004784 0.001873 32 C 3 S -0.026939 -0.000577 -0.096145 -0.042157 -0.046266 33 C 3 S 0.014578 -0.057674 -0.131973 -0.064490 0.002749 34 C 3 X 0.059498 0.016402 -0.047006 0.023556 -0.018053 35 C 3 Y 0.026768 -0.018211 0.092911 0.003889 0.005664 36 C 3 Z 0.018458 0.005429 0.008022 -0.010958 -0.005305 37 C 3 X -0.018871 0.042825 0.039304 0.006280 -0.044068 38 C 3 Y 0.037087 -0.031488 0.009106 -0.025792 0.029091 39 C 3 Z -0.000890 0.001447 0.003481 0.003716 0.002554 40 C 3 XX 0.000645 0.001611 0.006602 0.001988 0.003159 41 C 3 YY -0.001516 -0.002189 -0.012654 -0.003898 -0.004114 42 C 3 ZZ 0.000870 0.000578 0.006052 0.001910 0.000955 43 C 3 XY 0.007517 0.005069 0.004192 0.002455 -0.002767 44 C 3 XZ 0.001918 0.000891 0.000573 -0.000324 -0.001106 45 C 3 YZ 0.001567 0.000688 -0.000499 -0.001172 -0.001212 46 C 4 S -0.010175 -0.001774 -0.002776 0.000718 0.002075 47 C 4 S 0.116896 0.022768 0.028223 0.000078 -0.025137 48 C 4 S 0.136259 0.027558 0.031746 -0.000683 -0.024544 49 C 4 X 0.019779 0.009060 0.026123 0.042487 0.062624 50 C 4 Y -0.030029 -0.013429 0.031133 -0.039559 -0.033661 51 C 4 Z 0.069668 0.029995 0.035848 -0.068965 -0.032029 52 C 4 X 0.016007 0.003293 0.011041 0.019741 0.034637 53 C 4 Y -0.025785 0.000227 0.019025 -0.020258 -0.030649 54 C 4 Z 0.045734 0.017138 0.022370 -0.052200 -0.037043 55 C 4 XX -0.001085 -0.000348 -0.001129 0.007372 0.006000 56 C 4 YY -0.006185 -0.002504 -0.005481 0.002628 0.002896 57 C 4 ZZ 0.007270 0.002852 0.006610 -0.010000 -0.008897 58 C 4 XY -0.003672 -0.002101 -0.007197 -0.009172 -0.008409 59 C 4 XZ -0.001225 -0.000007 -0.001011 -0.002869 -0.004982 60 C 4 YZ 0.008570 0.003373 0.000304 -0.001225 0.002192 61 S 5 S -0.000333 -0.000039 -0.000063 -0.000073 -0.000077 62 S 5 S -0.003925 -0.000630 -0.001167 -0.002657 -0.002606 63 S 5 S 0.104119 0.027878 0.066238 0.222499 0.232529 64 S 5 S 0.088244 0.024350 0.064710 0.190627 0.197675 65 S 5 X 0.002657 0.000652 -0.000258 0.003208 0.002875 66 S 5 Y -0.001391 -0.000259 0.000677 0.000869 0.001022 67 S 5 Z -0.001384 -0.000447 -0.000279 0.000046 -0.000325 68 S 5 X -0.024571 -0.007811 0.004555 -0.032298 -0.024909 69 S 5 Y 0.018980 0.003786 -0.009534 -0.008529 -0.015952 70 S 5 Z 0.017477 0.006522 0.005610 -0.002710 0.002080 71 S 5 X -0.008053 -0.002120 -0.002062 -0.005096 -0.000710 72 S 5 Y 0.006476 0.002473 -0.000686 -0.001922 -0.002177 73 S 5 Z 0.003722 0.002341 0.001265 -0.001303 0.000931 74 S 5 XX 0.005835 0.001787 -0.004898 0.004745 0.002658 75 S 5 YY -0.001455 -0.000883 0.006142 0.003807 0.005392 76 S 5 ZZ -0.004380 -0.000904 -0.001244 -0.008552 -0.008050 77 S 5 XY -0.008594 -0.001573 -0.000912 0.002582 0.005115 78 S 5 XZ -0.005240 -0.001798 -0.000874 -0.001880 -0.002142 79 S 5 YZ 0.003410 0.000999 0.001094 0.000390 0.000996 80 S 5 XX 0.000810 0.000333 -0.001074 0.000850 0.000448 81 S 5 YY -0.000224 -0.000202 0.001326 0.000755 0.001103 82 S 5 ZZ -0.000586 -0.000131 -0.000252 -0.001605 -0.001551 83 S 5 XY -0.001196 -0.000154 -0.000145 0.000563 0.001007 84 S 5 XZ -0.001064 -0.000351 -0.000219 -0.000157 -0.000298 85 S 5 YZ 0.000775 0.000250 0.000322 -0.000031 0.000136 86 H 6 S -0.035775 -0.000711 -0.067322 -0.033916 -0.034491 87 H 6 S -0.001996 -0.006287 -0.010877 -0.009344 -0.006112 88 H 6 X -0.003608 -0.000467 -0.005785 -0.002932 -0.002865 89 H 6 Y -0.003822 0.000203 -0.007779 -0.003608 -0.003871 90 H 6 Z -0.000167 0.000029 -0.000211 -0.000071 -0.000191 91 C 7 S 0.000514 -0.004355 -0.001408 -0.004075 0.002118 92 C 7 S 0.018391 0.065928 0.007457 0.041038 -0.042405 93 C 7 S -0.037393 0.116613 0.062374 0.075906 -0.022895 94 C 7 X -0.061911 0.036549 -0.017515 -0.027583 -0.017597 95 C 7 Y 0.019505 0.102268 -0.032194 -0.003096 -0.006390 96 C 7 Z 0.024256 0.002309 0.008278 -0.009163 0.009317 97 C 7 X 0.007169 -0.026882 -0.029792 -0.006593 -0.036773 98 C 7 Y 0.034784 0.014081 -0.029040 -0.010135 -0.024397 99 C 7 Z 0.000284 0.001992 0.008072 0.004045 0.004491 100 C 7 XX -0.003553 -0.009609 -0.001451 -0.003005 0.002391 101 C 7 YY 0.003946 0.015665 0.001736 0.004760 -0.003767 102 C 7 ZZ -0.000393 -0.006056 -0.000285 -0.001755 0.001375 103 C 7 XY 0.004528 0.000732 0.003454 0.001244 0.003617 104 C 7 XZ 0.002385 0.001052 0.000266 -0.000513 0.000982 105 C 7 YZ -0.001315 0.000304 -0.001379 0.000359 -0.001314 106 C 8 S -0.003050 0.002668 -0.000927 0.000851 -0.001541 107 C 8 S 0.041796 -0.046705 0.007219 -0.033244 0.049994 108 C 8 S 0.058939 -0.051584 0.013048 -0.004031 0.016529 109 C 8 X -0.004819 -0.107926 0.020769 -0.003936 0.016952 110 C 8 Y 0.060447 -0.029033 0.027395 0.123866 -0.129921 111 C 8 Z 0.011711 -0.004639 0.005837 0.012536 -0.015244 112 C 8 X 0.004681 -0.061778 0.005139 0.006930 -0.002927 113 C 8 Y 0.021227 -0.047228 0.013832 0.060318 -0.062893 114 C 8 Z 0.004195 -0.006770 0.003578 0.006709 -0.007175 115 C 8 XX 0.005105 0.013368 -0.001468 0.003736 -0.004411 116 C 8 YY -0.000657 -0.014968 0.002516 -0.002432 0.003580 117 C 8 ZZ -0.004447 0.001600 -0.001048 -0.001304 0.000831 118 C 8 XY 0.003995 -0.006741 0.003288 0.010505 -0.010713 119 C 8 XZ 0.001293 -0.000027 0.000391 0.001288 -0.001578 120 C 8 YZ 0.000039 -0.002881 0.000274 0.000410 0.000176 121 C 9 S 0.010123 0.003105 0.001339 -0.000682 0.002034 122 C 9 S -0.119588 -0.035324 -0.013481 -0.003716 -0.024306 123 C 9 S -0.118788 -0.021584 -0.021602 -0.001346 -0.012590 124 C 9 X -0.010440 -0.021976 -0.006330 -0.040028 0.061433 125 C 9 Y -0.037870 0.016574 -0.014610 -0.050697 0.046598 126 C 9 Z 0.063014 0.030981 0.027557 -0.062625 0.033790 127 C 9 X -0.008539 -0.002402 -0.001995 -0.027796 0.036101 128 C 9 Y -0.010372 0.016510 0.004382 -0.024145 0.043898 129 C 9 Z 0.054648 0.026772 0.015853 -0.048015 0.040926 130 C 9 XX 0.001303 0.001758 0.001494 -0.004381 0.004529 131 C 9 YY 0.005272 0.003342 0.000628 -0.005141 0.006010 132 C 9 ZZ -0.006575 -0.005100 -0.002123 0.009522 -0.010539 133 C 9 XY -0.004144 -0.006550 -0.002242 -0.009508 0.008829 134 C 9 XZ -0.000849 -0.001092 -0.000011 -0.001228 0.003449 135 C 9 YZ -0.007856 -0.000657 -0.003072 0.001076 0.002340 136 C 10 S -0.003255 0.005273 -0.004548 -0.001531 -0.004107 137 C 10 S 0.073588 -0.115640 0.033520 0.014812 0.060754 138 C 10 S 0.067221 -0.076287 0.046064 0.019293 0.021178 139 C 10 X -0.027824 0.037831 0.050983 0.036766 -0.035479 140 C 10 Y 0.045131 0.014780 -0.045228 0.013018 -0.030473 141 C 10 Z 0.008508 -0.003458 -0.001467 -0.011923 0.007705 142 C 10 X 0.044462 -0.052791 -0.065803 -0.040891 -0.020014 143 C 10 Y 0.032593 -0.039564 -0.052995 -0.011090 -0.028630 144 C 10 Z -0.003361 0.009990 0.005139 0.000728 0.005127 145 C 10 XX 0.007485 -0.009815 -0.007895 -0.002961 -0.000112 146 C 10 YY -0.002790 0.003289 0.009034 0.002886 0.003857 147 C 10 ZZ -0.004695 0.006526 -0.001138 0.000076 -0.003745 148 C 10 XY 0.000233 0.007002 0.004791 0.005881 -0.002273 149 C 10 XZ -0.000481 0.002405 0.000296 -0.000510 -0.000697 150 C 10 YZ 0.000068 -0.000549 -0.000414 -0.000925 0.000841 151 C 11 S 0.004052 0.003543 -0.004478 0.001318 -0.002894 152 C 11 S -0.081042 -0.020069 0.097593 -0.009912 0.062617 153 C 11 S -0.071863 -0.027820 0.074573 -0.017094 -0.005092 154 C 11 X 0.019004 -0.042332 -0.048558 -0.037540 -0.041818 155 C 11 Y 0.046383 -0.057681 0.019621 0.009983 0.024852 156 C 11 Z 0.006873 -0.002422 0.001656 -0.008915 0.001896 157 C 11 X -0.046421 0.080067 0.060873 0.043060 -0.038059 158 C 11 Y 0.022963 -0.049958 -0.026495 0.000612 0.023376 159 C 11 Z 0.002547 0.000791 0.000506 -0.003709 -0.006303 160 C 11 XX -0.007050 0.009002 0.005292 0.001191 -0.001345 161 C 11 YY 0.002134 -0.009325 0.000655 -0.001054 0.004548 162 C 11 ZZ 0.004915 0.000324 -0.005947 -0.000137 -0.003203 163 C 11 XY -0.001390 0.006889 0.008944 0.006642 0.002027 164 C 11 XZ -0.000206 0.001427 0.001461 0.000130 -0.000442 165 C 11 YZ 0.000391 -0.000995 -0.000179 -0.000165 0.000661 166 C 12 S 0.000759 0.000843 -0.001666 -0.000382 -0.000995 167 C 12 S 0.112516 -0.110385 -0.142242 -0.069864 0.005118 168 C 12 S 0.087534 -0.104167 -0.119685 -0.069639 0.012509 169 C 12 X 0.031033 -0.054435 0.035930 0.014733 0.065389 170 C 12 Y -0.010258 -0.005475 0.025238 0.006631 0.016965 171 C 12 Z -0.010613 0.003090 0.020947 0.005247 0.012886 172 C 12 X 0.023116 -0.036383 -0.017513 -0.014056 0.021273 173 C 12 Y -0.034668 0.032560 0.047384 0.023201 0.008241 174 C 12 Z -0.005397 0.006549 0.012922 0.003780 -0.002829 175 C 12 XX 0.004150 -0.004057 0.001246 0.001231 0.002610 176 C 12 YY -0.002635 0.004239 -0.001239 -0.000230 -0.002680 177 C 12 ZZ -0.001514 -0.000182 -0.000007 -0.001002 0.000070 178 C 12 XY 0.000085 0.005964 -0.003832 0.000838 -0.006095 179 C 12 XZ -0.000205 0.001302 -0.001725 -0.000741 -0.002299 180 C 12 YZ 0.000267 0.001596 -0.001293 0.000171 -0.001916 181 C 13 S 0.000231 0.002172 -0.001883 0.000362 -0.002909 182 C 13 S 0.002962 0.092040 -0.083633 -0.000781 -0.112733 183 C 13 S -0.001026 0.044851 -0.045764 -0.006663 -0.059119 184 C 13 X -0.003518 0.011456 0.003012 0.004348 0.017149 185 C 13 Y 0.060626 -0.087510 -0.087321 -0.058547 -0.002589 186 C 13 Z 0.005501 0.001702 -0.014355 -0.005687 0.000094 187 C 13 X -0.000333 0.022566 -0.018226 -0.001321 -0.027889 188 C 13 Y 0.012868 -0.019358 -0.020486 -0.015400 -0.004505 189 C 13 Z -0.000339 0.004777 -0.010725 -0.001078 -0.005996 190 C 13 XX -0.000821 -0.000413 0.002179 0.000570 0.001148 191 C 13 YY 0.000558 0.001161 -0.001732 -0.000196 0.000563 192 C 13 ZZ 0.000262 -0.000749 -0.000448 -0.000375 -0.001711 193 C 13 XY 0.007473 -0.009212 -0.008301 -0.004545 -0.000346 194 C 13 XZ 0.000307 -0.000484 -0.000028 -0.000287 0.001356 195 C 13 YZ 0.002774 -0.003854 -0.004054 -0.002603 0.000245 196 C 14 S -0.000423 0.001519 -0.001370 -0.000198 -0.000992 197 C 14 S -0.110527 0.151724 0.108304 0.066861 0.012615 198 C 14 S -0.085669 0.126633 0.110627 0.075559 0.013649 199 C 14 X -0.032044 -0.033546 0.045535 -0.013701 0.064126 200 C 14 Y -0.015565 0.029000 0.005082 0.006193 -0.009495 201 C 14 Z 0.005139 -0.015994 -0.000582 -0.007211 0.011022 202 C 14 X -0.021242 0.011241 0.028636 0.010155 0.024164 203 C 14 Y -0.035005 0.054649 0.042970 0.028179 -0.001804 204 C 14 Z 0.000220 -0.001418 0.003444 -0.001473 0.002941 205 C 14 XX -0.004284 0.000416 0.001863 -0.001202 0.001284 206 C 14 YY 0.002466 0.000465 -0.002313 0.000359 -0.001727 207 C 14 ZZ 0.001818 -0.000881 0.000450 0.000843 0.000443 208 C 14 XY -0.001487 -0.004628 0.006482 0.000348 0.007212 209 C 14 XZ -0.000268 0.001281 -0.000223 0.000108 -0.001035 210 C 14 YZ 0.000195 -0.000881 0.000619 -0.000125 0.001212 211 F 15 S -0.000131 0.000248 0.000413 0.000097 -0.000230 212 F 15 S -0.036996 0.035846 0.047200 0.024078 -0.001747 213 F 15 S -0.054472 0.053135 0.068839 0.037491 -0.000348 214 F 15 X 0.021353 -0.031113 -0.005298 -0.005514 0.026083 215 F 15 Y -0.007550 0.003275 0.015884 0.007084 0.006000 216 F 15 Z -0.048287 0.051716 0.078761 0.044365 0.003564 217 F 15 X 0.010560 -0.014871 -0.002945 -0.002368 0.013225 218 F 15 Y -0.000584 -0.000456 0.004174 0.001974 0.002563 219 F 15 Z -0.028294 0.030399 0.046776 0.026179 0.001773 220 F 15 XX -0.000896 0.000739 0.001998 0.001020 0.000573 221 F 15 YY -0.001475 0.001619 0.002055 0.001141 -0.000111 222 F 15 ZZ 0.002371 -0.002358 -0.004053 -0.002161 -0.000461 223 F 15 XY -0.000144 0.000221 0.000103 0.000085 -0.000127 224 F 15 XZ -0.001626 0.002081 0.001025 0.000641 -0.001225 225 F 15 YZ 0.000510 -0.000275 -0.001057 -0.000476 -0.000339 226 F 16 S -0.001140 0.000823 0.001357 0.000696 0.000365 227 F 16 S -0.043390 0.039383 0.054521 0.025506 0.002125 228 F 16 S -0.052277 0.051673 0.069342 0.032808 -0.001225 229 F 16 X 0.026039 -0.027015 -0.010854 -0.002661 0.021057 230 F 16 Y -0.051690 0.057154 0.085951 0.046593 0.009918 231 F 16 Z 0.019902 -0.024290 -0.030111 -0.018439 0.002687 232 F 16 X 0.013606 -0.013632 -0.005018 -0.001055 0.011637 233 F 16 Y -0.029912 0.032130 0.049836 0.027057 0.006727 234 F 16 Z 0.015043 -0.017128 -0.022293 -0.012658 0.001118 235 F 16 XX -0.000988 0.001090 0.002184 0.001188 0.000587 236 F 16 YY 0.001894 -0.001830 -0.003468 -0.001749 -0.000790 237 F 16 ZZ -0.000906 0.000740 0.001284 0.000561 0.000203 238 F 16 XY -0.001686 0.002057 0.001219 0.000635 -0.000950 239 F 16 XZ 0.000857 -0.001039 -0.000533 -0.000303 0.000573 240 F 16 YZ -0.001899 0.002082 0.002923 0.001591 0.000107 241 F 17 S 0.000880 -0.001335 -0.000975 -0.000614 0.000021 242 F 17 S 0.042222 -0.056230 -0.038834 -0.025191 -0.001772 243 F 17 S 0.053320 -0.071283 -0.049098 -0.033265 -0.003383 244 F 17 X -0.017434 -0.001911 0.015401 -0.003698 0.021896 245 F 17 Y -0.047652 0.078092 0.053664 0.041197 -0.001139 246 F 17 Z -0.031356 0.047591 0.036188 0.025642 0.004861 247 F 17 X -0.008185 -0.002494 0.007008 -0.002520 0.011795 248 F 17 Y -0.026254 0.043811 0.029811 0.023062 -0.000775 249 F 17 Z -0.021382 0.032469 0.023842 0.017060 0.002317 250 F 17 XX 0.001339 -0.002361 -0.001559 -0.001223 0.000092 251 F 17 YY -0.001289 0.002335 0.001339 0.001134 -0.000277 252 F 17 ZZ -0.000050 0.000025 0.000220 0.000089 0.000185 253 F 17 XY -0.000892 0.000135 0.001045 0.000077 0.000984 254 F 17 XZ -0.000757 0.000108 0.000822 0.000035 0.000804 255 F 17 YZ -0.002536 0.003926 0.002746 0.001981 0.000109 256 F 18 S 0.000269 -0.000322 -0.000093 -0.000230 -0.000080 257 F 18 S 0.037100 -0.051582 -0.035446 -0.022097 -0.003142 258 F 18 S 0.052567 -0.075606 -0.054383 -0.032872 -0.004628 259 F 18 X -0.022601 0.009677 0.028792 0.003916 0.025032 260 F 18 Y -0.021006 0.037449 0.021607 0.016571 -0.001855 261 F 18 Z 0.042977 -0.074213 -0.048649 -0.038446 0.000153 262 F 18 X -0.011591 0.005910 0.014039 0.002306 0.012555 263 F 18 Y -0.008846 0.016513 0.008758 0.007413 -0.000774 264 F 18 Z 0.026409 -0.045255 -0.029319 -0.023265 -0.000126 265 F 18 XX 0.000801 -0.001981 -0.000790 -0.000950 0.000486 266 F 18 YY 0.000941 -0.001274 -0.001081 -0.000685 -0.000227 267 F 18 ZZ -0.001742 0.003255 0.001871 0.001635 -0.000259 268 F 18 XY -0.000643 0.000516 0.000793 0.000240 0.000485 269 F 18 XZ 0.001593 -0.001232 -0.001860 -0.000589 -0.001131 270 F 18 YZ 0.001567 -0.002750 -0.001530 -0.001228 0.000154 271 C 19 S -0.005067 0.009468 -0.003547 -0.008253 0.007829 272 C 19 S 0.096618 -0.171710 0.061016 0.151498 -0.144905 273 C 19 S 0.046339 -0.071690 0.034275 0.078885 -0.075836 274 C 19 X -0.012566 -0.001165 -0.001669 -0.006219 0.005115 275 C 19 Y -0.011168 0.017593 -0.003560 0.009010 -0.015696 276 C 19 Z -0.001508 0.002406 -0.000327 0.000477 -0.001543 277 C 19 X 0.000434 -0.006292 0.001145 0.006134 -0.006610 278 C 19 Y 0.005019 -0.013897 0.002065 0.011590 -0.012812 279 C 19 Z 0.001825 -0.001037 -0.000035 0.000717 -0.001639 280 C 19 XX 0.001012 0.001545 -0.000097 0.001647 -0.001854 281 C 19 YY 0.000453 -0.003802 0.000665 -0.001454 0.002207 282 C 19 ZZ -0.001465 0.002257 -0.000568 -0.000192 -0.000353 283 C 19 XY 0.002991 -0.000845 0.000549 0.000881 -0.000360 284 C 19 XZ 0.000387 -0.000261 0.000091 0.000274 -0.000113 285 C 19 YZ 0.000385 -0.000847 0.000178 -0.000184 0.000426 286 H 20 S 0.039176 -0.084628 0.028659 0.068508 -0.065596 287 H 20 S 0.003926 -0.010283 0.003092 0.008319 -0.008642 288 H 20 X -0.005686 0.011469 -0.003957 -0.009429 0.009020 289 H 20 Y 0.000653 -0.002618 0.000776 0.001756 -0.001767 290 H 20 Z -0.000244 0.000186 -0.000068 -0.000181 0.000189 291 H 21 S 0.042997 -0.075632 0.028049 0.077378 -0.076944 292 H 21 S 0.003248 -0.005269 0.002563 0.008049 -0.009005 293 H 21 X 0.000827 -0.002148 0.000696 0.001757 -0.001747 294 H 21 Y -0.004151 0.007358 -0.002589 -0.006322 0.006061 295 H 21 Z 0.004618 -0.007820 0.002953 0.008210 -0.008135 296 C 22 S 0.004443 0.002959 -0.011275 0.007409 0.006206 297 C 22 S -0.077221 -0.048171 0.207754 -0.129868 -0.111643 298 C 22 S -0.035526 -0.027373 0.100381 -0.062142 -0.051484 299 C 22 X 0.010669 0.002709 0.001359 0.008540 0.007992 300 C 22 Y -0.009980 -0.004060 0.018495 0.006126 0.010945 301 C 22 Z -0.000918 -0.000242 0.000699 -0.000541 -0.000184 302 C 22 X -0.001594 -0.000520 0.008692 -0.006592 -0.008060 303 C 22 Y 0.002853 0.001100 -0.010807 0.009781 0.010254 304 C 22 Z 0.001107 0.000435 -0.000324 0.000300 0.000610 305 C 22 XX -0.000773 -0.000019 -0.002291 -0.002058 -0.002274 306 C 22 YY -0.000749 -0.000659 0.004316 0.001119 0.001728 307 C 22 ZZ 0.001521 0.000678 -0.002025 0.000939 0.000546 308 C 22 XY 0.002408 0.000682 -0.000884 0.001360 0.000893 309 C 22 XZ 0.000368 0.000100 -0.000077 0.000278 0.000220 310 C 22 YZ -0.000218 -0.000064 0.000374 -0.000135 -0.000022 311 H 23 S -0.036059 -0.022222 0.090209 -0.069735 -0.063379 312 H 23 S -0.003828 -0.002153 0.010660 -0.009991 -0.009646 313 H 23 X -0.003505 -0.002063 0.008261 -0.006663 -0.006065 314 H 23 Y -0.003864 -0.002344 0.009922 -0.006601 -0.005661 315 H 23 Z -0.000163 -0.000085 0.000232 -0.000142 -0.000123 316 H 24 S -0.031770 -0.021668 0.097634 -0.060412 -0.052424 317 H 24 S -0.001728 -0.001763 0.008478 -0.006009 -0.005103 318 H 24 X 0.003126 0.001934 -0.008227 0.005626 0.004989 319 H 24 Y -0.000820 -0.000483 0.002120 -0.000971 -0.000739 320 H 24 Z 0.003406 0.002376 -0.010899 0.006417 0.005453 321 H 25 S -0.031568 -0.021697 0.098310 -0.059820 -0.051842 322 H 25 S -0.001944 -0.001890 0.009025 -0.005950 -0.005244 323 H 25 X 0.002816 0.001754 -0.007459 0.005096 0.004556 324 H 25 Y -0.000481 -0.000228 0.000871 -0.000242 -0.000144 325 H 25 Z -0.003709 -0.002572 0.011648 -0.006796 -0.005805 326 C 26 S 0.008257 0.004111 0.002393 -0.006459 0.006891 327 C 26 S -0.158044 -0.078415 -0.047979 0.129370 -0.109339 328 C 26 S -0.060890 -0.032357 -0.021625 0.059366 -0.056311 329 C 26 X -0.001233 -0.002782 -0.000942 -0.004797 0.011838 330 C 26 Y -0.011956 0.001152 -0.002971 -0.008178 0.002470 331 C 26 Z -0.031401 -0.010636 -0.004624 0.002949 -0.003516 332 C 26 X 0.003044 -0.001448 0.001893 0.001342 -0.003623 333 C 26 Y 0.002998 -0.002061 -0.003514 0.004034 0.001120 334 C 26 Z 0.009387 0.003269 0.005820 -0.011867 0.005948 335 C 26 XX 0.003049 0.000759 0.000509 -0.000234 0.000821 336 C 26 YY 0.002300 0.001413 -0.000073 -0.000438 0.000792 337 C 26 ZZ -0.005350 -0.002172 -0.000436 0.000671 -0.001613 338 C 26 XY -0.000190 0.000285 -0.000024 0.000288 -0.000360 339 C 26 XZ -0.000236 -0.000447 -0.000031 -0.000183 0.000962 340 C 26 YZ -0.002980 -0.000575 -0.000973 -0.000262 0.000153 341 H 27 S -0.064251 -0.035981 -0.020848 0.067124 -0.058352 342 H 27 S -0.001580 -0.005364 -0.001675 0.009678 -0.009102 343 H 27 X -0.006615 -0.004056 -0.002042 0.006740 -0.005476 344 H 27 Y -0.006210 -0.003216 -0.001676 0.005293 -0.005367 345 H 27 Z -0.002724 -0.001215 -0.000973 0.001871 -0.001101 346 H 28 S -0.069675 -0.031338 -0.022517 0.056617 -0.052464 347 H 28 S -0.006282 -0.004309 0.001701 0.004292 -0.008453 348 H 28 X -0.001933 -0.000945 -0.000707 0.001093 -0.000869 349 H 28 Y 0.008821 0.004392 0.002661 -0.007132 0.006549 350 H 28 Z -0.004970 -0.002483 -0.001302 0.004048 -0.003794 351 H 29 S -0.064972 -0.036313 -0.021595 0.063168 -0.045210 352 H 29 S -0.005920 -0.003495 -0.002711 0.007939 -0.001264 353 H 29 X 0.008192 0.004496 0.002610 -0.007830 0.006271 354 H 29 Y -0.004196 -0.001767 -0.001095 0.002507 -0.002501 355 H 29 Z -0.003382 -0.001492 -0.001105 0.003159 -0.001920 356 C 30 S -0.009099 -0.003056 -0.005181 0.006714 0.006565 357 C 30 S 0.168655 0.057357 0.090303 -0.134216 -0.095977 358 C 30 S 0.072386 0.026889 0.043325 -0.061563 -0.051003 359 C 30 X 0.000874 0.001000 0.001922 0.007782 0.012760 360 C 30 Y -0.012309 -0.004024 0.002933 -0.007113 -0.001521 361 C 30 Z -0.032914 -0.007091 -0.009783 0.003025 0.002290 362 C 30 X -0.005573 0.000188 0.000268 -0.001562 -0.002864 363 C 30 Y 0.005760 -0.001915 -0.002379 0.003726 -0.003183 364 C 30 Z 0.006325 0.003753 0.001833 -0.012659 -0.002928 365 C 30 XX -0.003197 -0.000708 -0.000997 0.000131 0.000452 366 C 30 YY -0.002584 -0.000373 -0.001245 0.000518 0.001017 367 C 30 ZZ 0.005782 0.001081 0.002242 -0.000649 -0.001469 368 C 30 XY -0.000093 0.000199 0.000123 0.000187 -0.000060 369 C 30 XZ 0.000148 0.000112 -0.000446 -0.000824 -0.001548 370 C 30 YZ 0.002677 0.001024 0.000256 0.000123 0.000330 371 H 31 S 0.074737 0.026965 0.037330 -0.058395 -0.045185 372 H 31 S 0.008920 0.000106 0.005193 -0.003710 -0.007460 373 H 31 X -0.000266 -0.000069 -0.000103 0.000952 0.000964 374 H 31 Y 0.009429 0.003321 0.005025 -0.007401 -0.005679 375 H 31 Z -0.005534 -0.001717 -0.003063 0.004157 0.003135 376 H 32 S 0.068391 0.023947 0.042233 -0.069741 -0.052420 377 H 32 S 0.000045 0.003549 0.006257 -0.008709 -0.009121 378 H 32 X 0.008078 0.002883 0.005215 -0.007887 -0.005974 379 H 32 Y -0.005112 -0.001679 -0.002660 0.004008 0.003855 380 H 32 Z -0.003589 -0.001392 -0.001913 0.002561 0.001369 381 H 33 S 0.070054 0.024910 0.043495 -0.064577 -0.039336 382 H 33 S 0.007653 0.002366 0.005478 -0.008183 -0.001757 383 H 33 X -0.007892 -0.002732 -0.004992 0.007625 0.005109 384 H 33 Y -0.006329 -0.001915 -0.003167 0.004276 0.003058 385 H 33 Z -0.003018 -0.000977 -0.001203 0.002256 0.001166 386 H 34 S 0.042689 -0.075356 0.028091 0.077320 -0.076908 387 H 34 S 0.001697 -0.005969 0.002729 0.008936 -0.008904 388 H 34 X 0.001255 -0.002934 0.001025 0.002604 -0.002579 389 H 34 Y -0.002889 0.005563 -0.001857 -0.004459 0.004162 390 H 34 Z -0.005272 0.009025 -0.003373 -0.009254 0.009107 391 F 35 S -0.000073 -0.001003 0.000857 0.000029 0.001493 392 F 35 S -0.001028 -0.035683 0.032742 0.000794 0.047959 393 F 35 S -0.000690 -0.043648 0.041320 0.000973 0.059489 394 F 35 X 0.000180 0.057037 -0.050229 0.000155 -0.086903 395 F 35 Y 0.015896 -0.022495 -0.033325 -0.022769 -0.009765 396 F 35 Z 0.001086 -0.014943 0.010128 -0.001559 0.027693 397 F 35 X 0.000242 0.033954 -0.029766 0.000210 -0.052380 398 F 35 Y 0.009128 -0.012405 -0.019321 -0.012989 -0.005837 399 F 35 Z 0.000711 -0.011418 0.008526 -0.000970 0.020016 400 F 35 XX -0.000070 0.002813 -0.002213 0.000083 -0.003740 401 F 35 YY 0.000156 -0.001714 0.001053 -0.000170 0.002186 402 F 35 ZZ -0.000086 -0.001099 0.001160 0.000087 0.001554 403 F 35 XY 0.001087 -0.001209 -0.002099 -0.001217 -0.000753 404 F 35 XZ 0.000098 -0.001585 0.001170 -0.000104 0.002480 405 F 35 YZ -0.000378 0.000427 0.000677 0.000385 0.000259 406 F 36 S -0.000003 -0.000232 0.000371 -0.000076 0.000514 407 F 36 S -0.001119 -0.029365 0.027768 0.000007 0.037890 408 F 36 S -0.001821 -0.042864 0.039209 0.001128 0.055802 409 F 36 X -0.001047 0.003364 0.001393 0.002415 0.007567 410 F 36 Y 0.020237 -0.036352 -0.028566 -0.023772 0.006024 411 F 36 Z 0.003416 0.046840 -0.050552 -0.002815 -0.077130 412 F 36 X -0.000411 -0.001246 0.003323 0.001255 0.008184 413 F 36 Y 0.009201 -0.018068 -0.013315 -0.012056 0.003982 414 F 36 Z 0.001944 0.028180 -0.030009 -0.001232 -0.046784 415 F 36 XX -0.000069 -0.001418 0.001380 0.000042 0.002093 416 F 36 YY -0.000206 -0.000994 0.001441 0.000196 0.001829 417 F 36 ZZ 0.000275 0.002412 -0.002821 -0.000238 -0.003922 418 F 36 XY 0.000124 -0.000176 -0.000135 -0.000086 -0.000025 419 F 36 XZ -0.000056 0.000186 0.000071 0.000109 0.000382 420 F 36 YZ 0.001139 -0.002157 -0.001403 -0.001248 0.000547 421 C 37 S 0.006838 0.005387 0.001188 0.009063 -0.010301 422 C 37 S -0.073890 -0.062018 -0.015687 -0.152529 0.169480 423 C 37 S -0.062662 -0.068610 -0.010538 -0.081142 0.087156 424 C 37 X 0.026513 -0.018165 0.010150 0.020941 -0.008297 425 C 37 Y 0.030454 -0.011465 0.001811 -0.024761 0.038416 426 C 37 Z 0.018953 0.004274 0.006165 -0.008291 0.004952 427 C 37 X 0.016426 0.025569 0.001020 -0.001158 0.004262 428 C 37 Y 0.002497 0.004112 0.005239 -0.008184 0.013751 429 C 37 Z -0.001047 0.000276 0.000527 -0.000847 0.000420 430 C 37 XX -0.003303 0.003956 -0.000995 -0.001326 -0.000662 431 C 37 YY -0.001095 -0.005105 0.000389 -0.003821 0.005587 432 C 37 ZZ 0.004398 0.001149 0.000606 0.005147 -0.004924 433 C 37 XY -0.005707 -0.004038 0.000370 0.003025 -0.005013 434 C 37 XZ -0.002668 -0.001003 -0.000548 0.000475 -0.000428 435 C 37 YZ -0.002043 -0.001179 -0.000336 -0.000865 0.001381 436 S 38 S 0.000154 0.000220 -0.000054 0.000105 -0.000222 437 S 38 S 0.000130 -0.001325 -0.000032 0.000383 -0.001113 438 S 38 S 0.081064 0.262587 -0.039027 0.046739 -0.063242 439 S 38 S 0.059532 0.219348 -0.030903 0.041975 -0.045270 440 S 38 X -0.000944 -0.001459 0.000485 0.000559 -0.000274 441 S 38 Y 0.000598 0.004511 -0.000645 0.000157 -0.000657 442 S 38 Z -0.000219 0.000047 -0.000036 0.000051 0.000018 443 S 38 X 0.007015 0.010611 -0.002596 -0.010091 0.007859 444 S 38 Y -0.002241 -0.051963 0.009665 -0.000756 0.003029 445 S 38 Z 0.004909 -0.000764 0.002179 -0.001114 0.001005 446 S 38 X 0.004006 0.001673 -0.003582 -0.006843 0.007638 447 S 38 Y 0.002480 -0.013265 0.000491 -0.002353 -0.000958 448 S 38 Z 0.001922 -0.000126 -0.000588 -0.002388 0.000421 449 S 38 XX 0.003924 -0.003247 0.000281 -0.003315 0.004396 450 S 38 YY -0.000132 0.015043 -0.002537 0.003455 -0.005013 451 S 38 ZZ -0.003792 -0.011795 0.002256 -0.000140 0.000618 452 S 38 XY 0.004347 -0.001482 0.001192 0.006225 -0.005117 453 S 38 XZ 0.000630 0.000012 0.000179 0.000269 -0.000325 454 S 38 YZ -0.001230 0.000554 -0.000426 0.001278 -0.000726 455 S 38 XX 0.000661 -0.000447 0.000042 -0.000505 0.000665 456 S 38 YY 0.000035 0.002664 -0.000357 0.000698 -0.000947 457 S 38 ZZ -0.000696 -0.002217 0.000315 -0.000193 0.000282 458 S 38 XY 0.000846 -0.000149 0.000249 0.001174 -0.000925 459 S 38 XZ 0.000168 0.000062 0.000051 0.000070 -0.000091 460 S 38 YZ -0.000207 0.000084 -0.000095 0.000148 -0.000149 461 H 39 S -0.026128 -0.042620 -0.001738 -0.061741 0.079084 462 H 39 S -0.005918 -0.012442 0.000729 -0.005206 0.008643 463 H 39 X 0.003828 0.005550 0.000348 0.008460 -0.010431 464 H 39 Y -0.000090 -0.001308 -0.000497 -0.002242 0.002732 465 H 39 Z 0.000665 0.000103 0.000183 -0.000518 0.000418 51 52 53 54 55 -0.9236 -0.9113 -0.8755 -0.8438 -0.8362 A A A A A 1 C 1 S 0.001968 -0.001003 -0.001346 -0.002625 -0.000384 2 C 1 S -0.061423 0.033970 0.030165 0.067000 0.015253 3 C 1 S -0.036776 0.018278 0.030153 0.049522 0.022773 4 C 1 X 0.114461 -0.054840 0.008308 -0.030104 0.053995 5 C 1 Y -0.025960 0.010608 0.025144 0.012143 0.028353 6 C 1 Z -0.009541 0.005303 0.000884 0.001972 -0.002333 7 C 1 X 0.049356 -0.031029 -0.003290 -0.017465 0.018596 8 C 1 Y -0.021480 0.015073 0.015037 0.022233 0.018676 9 C 1 Z -0.005394 0.001909 0.001002 0.003773 -0.001270 10 C 1 XX -0.010731 0.005430 0.001163 0.004949 -0.001614 11 C 1 YY 0.009598 -0.005006 -0.000046 -0.002857 0.002072 12 C 1 ZZ 0.001133 -0.000425 -0.001118 -0.002092 -0.000458 13 C 1 XY 0.000225 0.000226 0.004061 0.004871 0.005658 14 C 1 XZ 0.000905 -0.000343 -0.000010 -0.000299 0.000421 15 C 1 YZ 0.000144 -0.000054 -0.000150 -0.000309 -0.000222 16 C 2 S 0.007639 -0.003391 0.000212 -0.002495 0.002541 17 C 2 S -0.143011 0.071918 -0.008155 0.030615 -0.030357 18 C 2 S -0.071877 0.032432 -0.010551 0.040843 -0.056993 19 C 2 X -0.056159 0.023664 0.016004 0.035138 -0.021316 20 C 2 Y 0.035720 -0.027714 -0.012058 -0.066660 0.010093 21 C 2 Z 0.005324 -0.001869 -0.001120 -0.006975 0.001498 22 C 2 X -0.008753 0.001136 0.000135 0.016734 -0.012910 23 C 2 Y 0.015178 -0.014871 0.002244 -0.005848 -0.022406 24 C 2 Z 0.001319 0.000119 -0.000067 -0.001100 0.001350 25 C 2 XX -0.008298 0.005523 0.003137 0.008416 0.000831 26 C 2 YY 0.004154 -0.004180 -0.003817 -0.008166 -0.002172 27 C 2 ZZ 0.004144 -0.001343 0.000681 -0.000250 0.001341 28 C 2 XY -0.001135 -0.000355 -0.000724 0.000118 -0.002319 29 C 2 XZ 0.000758 -0.000490 -0.000303 -0.000407 -0.000042 30 C 2 YZ -0.000305 0.000392 -0.000218 -0.000402 -0.000209 31 C 3 S -0.005485 0.002315 -0.000869 0.002447 0.000704 32 C 3 S 0.092731 -0.081369 -0.019574 -0.102589 0.021248 33 C 3 S 0.120446 -0.029674 0.008472 -0.003272 -0.005043 34 C 3 X -0.060031 0.000191 -0.043104 -0.062236 -0.099933 35 C 3 Y 0.084402 -0.065722 0.009112 -0.014550 -0.000608 36 C 3 Z -0.000645 0.005070 0.000872 -0.008937 -0.002533 37 C 3 X -0.042524 0.013009 -0.025874 -0.072346 0.021757 38 C 3 Y 0.062896 -0.021224 0.014829 0.036546 -0.042557 39 C 3 Z -0.002938 -0.001342 -0.005679 -0.004916 -0.003078 40 C 3 XX 0.010623 -0.004067 -0.000432 0.000386 0.002694 41 C 3 YY -0.007215 0.000227 -0.001067 -0.003173 -0.003967 42 C 3 ZZ -0.003408 0.003840 0.001500 0.002787 0.001273 43 C 3 XY 0.000103 -0.002526 -0.008923 -0.005050 -0.006798 44 C 3 XZ 0.000974 -0.000685 0.000568 -0.001363 -0.000006 45 C 3 YZ -0.000774 0.000709 -0.000626 -0.000844 -0.000618 46 C 4 S -0.000916 0.001408 0.003185 0.002386 0.003894 47 C 4 S 0.035464 -0.058920 -0.084342 -0.046507 -0.106808 48 C 4 S 0.005305 -0.043118 -0.076954 -0.050822 -0.108113 49 C 4 X -0.011855 0.040493 0.016718 0.045040 0.018593 50 C 4 Y -0.041317 0.000098 -0.040679 0.082183 -0.024272 51 C 4 Z -0.033057 0.081488 0.058310 0.004522 0.043550 52 C 4 X -0.001540 0.019273 0.007295 0.026903 0.001615 53 C 4 Y -0.040311 0.027070 -0.016334 0.034310 0.015358 54 C 4 Z -0.017896 0.065921 0.037011 0.006949 0.038007 55 C 4 XX 0.009226 -0.007891 0.000956 -0.007036 0.002637 56 C 4 YY -0.002783 -0.006848 -0.007797 0.002652 -0.006066 57 C 4 ZZ -0.006442 0.014739 0.006842 0.004384 0.003429 58 C 4 XY 0.000929 -0.001798 -0.000851 -0.007562 -0.003613 59 C 4 XZ -0.000341 -0.000955 -0.000640 -0.000926 -0.000455 60 C 4 YZ 0.001370 0.003715 0.006216 -0.004645 0.003894 61 S 5 S 0.000023 -0.000244 -0.000308 -0.000058 -0.000437 62 S 5 S -0.000349 -0.001515 -0.002369 -0.000408 -0.003111 63 S 5 S 0.083954 -0.036574 0.049159 0.021106 0.091893 64 S 5 S 0.075915 -0.022034 0.056933 0.021230 0.111844 65 S 5 X 0.000315 -0.000450 0.000022 -0.000350 -0.000680 66 S 5 Y -0.000276 0.000465 0.001398 0.001153 0.002152 67 S 5 Z 0.000136 -0.000438 -0.000167 0.000058 -0.000011 68 S 5 X -0.002390 0.005273 0.006803 0.009349 0.018181 69 S 5 Y 0.009592 -0.005796 -0.029666 -0.023513 -0.043329 70 S 5 Z -0.002051 0.005131 0.001920 -0.002589 -0.000555 71 S 5 X 0.000219 -0.003321 0.001599 0.004004 0.004720 72 S 5 Y 0.006634 -0.006648 -0.009723 -0.011715 -0.010420 73 S 5 Z -0.002217 0.001610 -0.000752 -0.001958 0.001133 74 S 5 XX 0.000496 -0.001495 -0.002761 -0.004610 -0.005571 75 S 5 YY 0.001327 -0.001184 0.002265 0.005160 0.005051 76 S 5 ZZ -0.001823 0.002679 0.000496 -0.000550 0.000519 77 S 5 XY -0.006666 0.004490 0.009973 0.008778 0.012361 78 S 5 XZ -0.000516 -0.000408 0.000483 0.002200 0.001267 79 S 5 YZ 0.000543 -0.000194 -0.000925 -0.000939 -0.001409 80 S 5 XX -0.000019 -0.000396 -0.000503 -0.000904 -0.000979 81 S 5 YY 0.000377 -0.000190 0.000367 0.000962 0.000883 82 S 5 ZZ -0.000358 0.000586 0.000136 -0.000058 0.000096 83 S 5 XY -0.001097 0.000739 0.001735 0.001537 0.002349 84 S 5 XZ -0.000084 -0.000164 -0.000032 0.000291 0.000188 85 S 5 YZ 0.000059 0.000109 -0.000046 -0.000089 -0.000136 86 H 6 S -0.067541 0.041149 -0.006268 0.035885 -0.012980 87 H 6 S -0.004286 0.000105 0.004786 0.014203 -0.012245 88 H 6 X -0.007246 0.004061 0.001003 0.003741 -0.001382 89 H 6 Y -0.005558 0.003355 -0.000734 0.001711 -0.000810 90 H 6 Z -0.000168 0.000046 -0.000219 -0.000284 -0.000116 91 C 7 S 0.006428 0.001844 -0.001537 -0.000829 -0.001481 92 C 7 S -0.112240 -0.070581 -0.028254 0.032660 0.097052 93 C 7 S -0.162635 -0.034185 0.026907 -0.006891 0.024031 94 C 7 X 0.044497 -0.013852 -0.057623 0.110743 -0.038997 95 C 7 Y 0.095791 0.052802 -0.012770 0.005775 -0.033928 96 C 7 Z -0.010560 -0.005572 0.001740 -0.019028 -0.000003 97 C 7 X 0.035394 0.015026 -0.048855 0.048227 0.027074 98 C 7 Y 0.056071 0.007379 -0.026209 0.019068 0.028598 99 C 7 Z -0.008418 0.004132 0.003132 -0.010690 -0.001779 100 C 7 XX -0.011835 -0.003665 -0.002766 -0.000390 0.002298 101 C 7 YY 0.007052 -0.000493 0.000849 0.003275 -0.000706 102 C 7 ZZ 0.004784 0.004158 0.001917 -0.002885 -0.001592 103 C 7 XY -0.003905 0.000134 0.009331 -0.005862 0.003505 104 C 7 XZ 0.002958 0.000433 0.000438 -0.000057 -0.001556 105 C 7 YZ 0.001439 -0.000024 -0.000805 0.001548 -0.000696 106 C 8 S -0.000560 0.000343 -0.002605 0.002821 0.000681 107 C 8 S 0.023948 0.011198 0.054700 -0.074903 0.001668 108 C 8 S 0.014615 -0.013675 0.042458 -0.065426 -0.005158 109 C 8 X -0.078693 -0.025323 0.009343 -0.026673 0.044258 110 C 8 Y 0.011832 0.004104 -0.043628 0.048809 -0.033001 111 C 8 Z -0.003926 -0.003902 -0.008709 0.007586 -0.003847 112 C 8 X -0.038942 -0.010988 -0.012062 -0.006987 0.037300 113 C 8 Y -0.004738 0.012274 -0.027448 0.034241 0.001957 114 C 8 Z -0.004259 0.000154 -0.004391 0.005666 0.000531 115 C 8 XX 0.010788 0.003919 0.001398 -0.000248 -0.004491 116 C 8 YY -0.009017 -0.003815 -0.000068 -0.001083 0.003168 117 C 8 ZZ -0.001771 -0.000104 -0.001330 0.001331 0.001323 118 C 8 XY -0.003698 -0.001672 -0.005441 0.006750 -0.000392 119 C 8 XZ 0.000279 -0.000203 -0.000792 0.000969 -0.000512 120 C 8 YZ -0.000720 -0.000090 0.000477 -0.000568 0.000487 121 C 9 S 0.001103 0.001838 0.003129 -0.004085 0.001415 122 C 9 S -0.040063 -0.048756 -0.101571 0.107132 -0.046945 123 C 9 S 0.003173 -0.051577 -0.070212 0.098745 -0.058390 124 C 9 X 0.020800 0.031041 0.008165 -0.022985 -0.034586 125 C 9 Y -0.039818 0.011056 0.028037 0.038227 0.065626 126 C 9 Z -0.046488 -0.079523 -0.066226 0.038395 -0.027907 127 C 9 X 0.009666 0.016307 0.009870 -0.013062 -0.031100 128 C 9 Y -0.025861 -0.021990 0.009491 0.018781 0.004580 129 C 9 Z -0.017284 -0.071723 -0.036277 0.029640 -0.029007 130 C 9 XX -0.010080 -0.006718 -0.001642 0.005516 0.007301 131 C 9 YY 0.002065 -0.007089 -0.005901 -0.000628 -0.007143 132 C 9 ZZ 0.008015 0.013807 0.007542 -0.004888 -0.000158 133 C 9 XY -0.000383 0.001604 0.002311 -0.005813 -0.002515 134 C 9 XZ 0.002138 0.002940 0.001194 -0.001001 -0.001775 135 C 9 YZ -0.000606 0.004309 0.005435 0.000243 0.005910 136 C 10 S 0.006159 -0.001884 -0.003659 0.002280 0.000942 137 C 10 S -0.087815 0.013620 0.071572 -0.069052 -0.015241 138 C 10 S -0.071100 0.037086 0.014773 -0.074455 0.025325 139 C 10 X -0.080874 -0.094380 0.036719 0.015592 0.115010 140 C 10 Y -0.063635 0.000701 -0.064632 -0.086720 0.062377 141 C 10 Z 0.010554 0.015113 -0.012564 -0.010563 -0.016735 142 C 10 X 0.074546 -0.043826 -0.017903 0.065889 0.084402 143 C 10 Y 0.020443 0.007630 -0.048268 -0.007638 0.053120 144 C 10 Z -0.009057 -0.000638 0.001945 -0.007348 -0.013635 145 C 10 XX -0.005999 0.001890 -0.006823 -0.005566 -0.002017 146 C 10 YY 0.004367 0.000103 0.007683 0.003206 0.000301 147 C 10 ZZ 0.001632 -0.001994 -0.000860 0.002360 0.001716 148 C 10 XY -0.009852 -0.003264 0.002738 0.005257 0.003672 149 C 10 XZ 0.001679 -0.001571 0.002558 0.003029 -0.000513 150 C 10 YZ 0.001023 0.000570 -0.001230 -0.000349 -0.001367 151 C 11 S -0.006584 -0.000085 -0.005153 -0.003567 -0.001294 152 C 11 S 0.094631 0.004602 0.061115 0.081991 0.037090 153 C 11 S 0.090075 0.010245 0.038134 0.040186 0.104902 154 C 11 X 0.067594 -0.102274 0.030629 -0.086480 0.057636 155 C 11 Y -0.051473 -0.007667 0.073835 -0.014486 -0.084435 156 C 11 Z 0.005877 0.003860 -0.003059 -0.001163 0.003302 157 C 11 X -0.082212 -0.031098 -0.009097 -0.126095 0.044844 158 C 11 Y 0.000810 -0.003587 0.034699 0.027268 -0.041847 159 C 11 Z 0.001012 0.002570 -0.000168 -0.002104 0.009416 160 C 11 XX 0.008956 -0.000786 -0.006004 0.002362 0.001293 161 C 11 YY -0.006015 0.001955 0.006618 0.000628 0.000274 162 C 11 ZZ -0.002941 -0.001169 -0.000614 -0.002990 -0.001568 163 C 11 XY -0.007336 0.004855 -0.005690 0.006502 0.004580 164 C 11 XZ -0.000206 -0.000872 0.001192 -0.001310 0.000095 165 C 11 YZ 0.000282 0.000334 -0.000299 0.000139 -0.001295 166 C 12 S 0.000715 0.002363 -0.006373 -0.004868 0.004859 167 C 12 S 0.097215 0.071102 -0.135163 -0.031012 0.029384 168 C 12 S 0.112058 0.014851 -0.052241 0.044596 0.004832 169 C 12 X -0.058257 0.080167 0.024309 -0.123041 -0.116092 170 C 12 Y -0.006219 0.034976 -0.090553 -0.094420 0.111250 171 C 12 Z -0.004950 0.025339 -0.044415 -0.043678 -0.002953 172 C 12 X 0.013191 0.025426 -0.014336 -0.032291 -0.026387 173 C 12 Y -0.041135 0.002964 0.008602 -0.036327 0.002551 174 C 12 Z -0.006841 0.000797 0.000603 -0.015336 0.001937 175 C 12 XX -0.005115 -0.001200 0.009936 -0.000028 -0.002546 176 C 12 YY 0.001984 -0.000421 -0.004285 0.000083 0.001727 177 C 12 ZZ 0.003132 0.001620 -0.005650 -0.000055 0.000819 178 C 12 XY -0.003147 -0.007947 0.006319 0.002545 -0.002442 179 C 12 XZ 0.000787 -0.003835 0.004742 0.002817 0.001866 180 C 12 YZ -0.000183 -0.003701 0.005309 0.001872 -0.001456 181 C 13 S -0.000774 -0.005662 0.003250 -0.002633 0.006025 182 C 13 S -0.019739 -0.155338 0.106326 -0.013610 0.038368 183 C 13 S -0.008560 -0.062739 0.039088 0.008206 -0.014659 184 C 13 X -0.001931 0.062348 -0.050065 0.038676 -0.144942 185 C 13 Y 0.111488 -0.007055 -0.000427 0.154941 0.073152 186 C 13 Z 0.013072 0.025904 -0.053141 0.030892 -0.051514 187 C 13 X -0.004365 -0.024708 0.015418 0.004530 -0.022177 188 C 13 Y 0.033236 -0.005589 0.001878 0.049782 0.027468 189 C 13 Z 0.000727 -0.002667 -0.002675 0.011066 -0.015809 190 C 13 XX -0.000571 -0.001549 0.007081 0.000246 0.002772 191 C 13 YY 0.000428 0.007611 -0.015697 -0.000812 -0.003448 192 C 13 ZZ 0.000142 -0.006062 0.008616 0.000566 0.000677 193 C 13 XY 0.005592 -0.001354 0.002009 -0.001276 -0.000672 194 C 13 XZ 0.000595 0.003270 -0.001912 0.000111 0.000483 195 C 13 YZ 0.004765 0.001152 -0.002729 0.001299 -0.000537 196 C 14 S 0.000131 0.001876 -0.006014 -0.000935 0.007178 197 C 14 S -0.080906 0.082856 -0.134306 -0.020999 0.048318 198 C 14 S -0.110400 0.038583 -0.053943 -0.050286 -0.014703 199 C 14 X 0.078591 0.072070 0.003469 0.170875 0.048530 200 C 14 Y -0.005156 -0.027621 0.095704 0.042399 -0.149469 201 C 14 Z 0.015732 0.019952 -0.025252 0.034926 0.019718 202 C 14 X -0.004425 0.032537 -0.019861 0.043038 0.019292 203 C 14 Y -0.040798 0.006464 -0.008784 -0.023464 -0.030345 204 C 14 Z 0.001160 -0.000087 0.001017 0.008318 0.003868 205 C 14 XX 0.004997 -0.003523 0.010122 0.004206 -0.003765 206 C 14 YY -0.002505 0.000801 -0.003609 -0.001692 0.001428 207 C 14 ZZ -0.002492 0.002721 -0.006513 -0.002515 0.002337 208 C 14 XY 0.000220 0.008698 -0.005043 0.001550 0.004072 209 C 14 XZ -0.000413 -0.003015 0.005042 -0.001634 -0.000874 210 C 14 YZ 0.000671 0.002809 -0.004108 -0.000470 0.001848 211 F 15 S -0.000325 -0.000871 0.001825 0.000546 -0.000515 212 F 15 S -0.035336 -0.025573 0.058175 0.012109 -0.015209 213 F 15 S -0.055375 -0.032286 0.077769 0.013172 -0.019225 214 F 15 X -0.006333 0.052211 -0.031627 -0.099765 -0.056570 215 F 15 Y -0.011130 0.008513 -0.030665 -0.063441 0.081055 216 F 15 Z -0.082494 -0.046471 0.157865 0.021893 -0.080901 217 F 15 X -0.004192 0.029277 -0.018054 -0.061357 -0.033141 218 F 15 Y -0.002824 0.005542 -0.021954 -0.038622 0.053662 219 F 15 Z -0.049470 -0.030945 0.102657 0.017018 -0.053264 220 F 15 XX -0.002061 -0.000308 0.003064 -0.000755 -0.002188 221 F 15 YY -0.001881 -0.001473 0.003908 0.001360 -0.002022 222 F 15 ZZ 0.003942 0.001781 -0.006972 -0.000605 0.004210 223 F 15 XY -0.000051 -0.000181 -0.000299 -0.000241 0.001035 224 F 15 XZ -0.000414 -0.002823 0.002846 0.004175 0.001405 225 F 15 YZ 0.000764 -0.000314 0.000817 0.002357 -0.002663 226 F 16 S -0.001204 -0.000533 0.001734 0.000491 -0.001433 227 F 16 S -0.038772 -0.021566 0.060351 0.015302 -0.049022 228 F 16 S -0.050024 -0.029518 0.082253 0.020241 -0.069458 229 F 16 X -0.008391 0.052033 -0.043234 -0.118852 -0.027291 230 F 16 Y -0.082060 -0.025274 0.122540 -0.013327 -0.137801 231 F 16 Z 0.035971 0.034444 -0.118910 -0.072383 0.112247 232 F 16 X -0.004973 0.030400 -0.024596 -0.073318 -0.017974 233 F 16 Y -0.047758 -0.015582 0.076718 -0.005884 -0.088608 234 F 16 Z 0.024467 0.021981 -0.077484 -0.046797 0.073192 235 F 16 XX -0.002191 -0.000108 0.003141 -0.000972 -0.003894 236 F 16 YY 0.002985 0.000102 -0.003083 0.001949 0.003921 237 F 16 ZZ -0.000794 0.000006 -0.000059 -0.000976 -0.000027 238 F 16 XY -0.000415 -0.002267 0.002536 0.003852 -0.000335 239 F 16 XZ 0.000250 0.001438 -0.001961 -0.002772 0.000674 240 F 16 YZ -0.002762 -0.001673 0.006279 0.002271 -0.005774 241 F 17 S 0.000947 -0.000538 0.001473 0.000862 -0.000975 242 F 17 S 0.034406 -0.026732 0.057895 0.031360 -0.041155 243 F 17 S 0.046012 -0.038014 0.080787 0.044914 -0.059922 244 F 17 X 0.031273 0.040241 -0.023185 0.113538 0.062993 245 F 17 Y -0.066469 0.035456 -0.093569 -0.090472 0.044573 246 F 17 Z -0.042683 0.049097 -0.137927 -0.064185 0.155387 247 F 17 X 0.018460 0.022655 -0.011566 0.070696 0.037824 248 F 17 Y -0.038019 0.020847 -0.057504 -0.055887 0.029314 249 F 17 Z -0.027944 0.030996 -0.089171 -0.041884 0.101491 250 F 17 XX 0.002018 -0.001112 0.003491 0.002880 -0.002478 251 F 17 YY -0.001847 0.000265 -0.000915 -0.002229 -0.001028 252 F 17 ZZ -0.000171 0.000847 -0.002576 -0.000651 0.003507 253 F 17 XY 0.000908 0.001581 -0.000977 0.003122 0.002033 254 F 17 XZ 0.000695 0.001414 -0.001097 0.002526 0.002202 255 F 17 YZ -0.003036 0.002392 -0.006445 -0.003787 0.005491 256 F 18 S 0.000146 -0.000898 0.001863 0.000339 -0.000937 257 F 18 S 0.028872 -0.029698 0.058287 0.014651 -0.026377 258 F 18 S 0.046334 -0.038831 0.076962 0.021705 -0.032830 259 F 18 X 0.018564 0.050958 -0.047385 0.095535 0.079145 260 F 18 Y -0.025145 0.012245 -0.012764 0.007440 -0.070827 261 F 18 Z 0.068018 -0.053601 0.153777 0.085186 -0.102912 262 F 18 X 0.010587 0.027963 -0.027550 0.057212 0.050299 263 F 18 Y -0.011496 0.006831 -0.006191 0.007520 -0.044553 264 F 18 Z 0.040722 -0.035223 0.100888 0.054024 -0.068845 265 F 18 XX 0.001979 -0.000461 0.002648 0.002785 -0.000582 266 F 18 YY 0.000986 -0.001361 0.003470 0.001387 -0.003717 267 F 18 ZZ -0.002965 0.001822 -0.006118 -0.004172 0.004299 268 F 18 XY 0.000099 0.000968 -0.000692 0.001461 0.000328 269 F 18 XZ -0.000142 -0.002703 0.003451 -0.002682 -0.003856 270 F 18 YZ 0.001945 -0.001103 0.002389 0.000911 0.001056 271 C 19 S 0.003840 0.001484 0.002625 -0.003164 -0.000002 272 C 19 S -0.065195 -0.024150 -0.053622 0.057205 0.007324 273 C 19 S -0.035458 -0.017599 -0.025845 0.034818 -0.008769 274 C 19 X -0.017490 -0.006866 -0.007982 0.011621 0.013844 275 C 19 Y -0.003409 -0.002686 -0.023712 0.038824 -0.003448 276 C 19 Z -0.001361 -0.000964 -0.003551 0.005375 -0.000149 277 C 19 X -0.003619 0.000895 -0.005069 0.008254 0.005221 278 C 19 Y -0.006926 -0.002307 -0.013433 0.015195 0.005401 279 C 19 Z -0.000406 -0.001383 -0.003089 0.002529 0.000883 280 C 19 XX 0.001187 0.000376 -0.000808 0.000812 -0.000524 281 C 19 YY -0.001157 -0.000173 0.002390 -0.003433 0.000862 282 C 19 ZZ -0.000030 -0.000203 -0.001581 0.002621 -0.000338 283 C 19 XY 0.002248 0.001004 0.002091 -0.003224 -0.001046 284 C 19 XZ 0.000321 0.000240 0.000400 -0.000522 -0.000098 285 C 19 YZ -0.000023 0.000050 0.000663 -0.001005 0.000150 286 H 20 S -0.043337 -0.016348 -0.029731 0.032811 0.013644 287 H 20 S -0.007421 -0.004025 -0.005785 0.005594 0.002813 288 H 20 X 0.005114 0.001911 0.003553 -0.003901 -0.001138 289 H 20 Y -0.001715 -0.000700 -0.001263 0.001598 0.000470 290 H 20 Z -0.000002 0.000057 0.000067 0.000006 -0.000019 291 H 21 S -0.031291 -0.012079 -0.035083 0.043076 0.000765 292 H 21 S -0.003871 -0.002132 -0.005847 0.008448 -0.000461 293 H 21 X -0.001289 -0.000537 -0.000988 0.001163 0.000437 294 H 21 Y 0.002931 0.001201 0.002408 -0.002419 -0.000372 295 H 21 Z -0.003112 -0.001146 -0.003487 0.004281 0.000046 296 C 22 S -0.005593 0.002614 0.001883 0.003006 0.001429 297 C 22 S 0.103371 -0.051596 -0.035528 -0.057991 -0.019561 298 C 22 S 0.057274 -0.023248 -0.020829 -0.029782 -0.014293 299 C 22 X 0.021089 -0.012158 -0.002947 -0.021045 0.006795 300 C 22 Y -0.009412 0.007235 0.015040 0.031069 0.018339 301 C 22 Z -0.002083 0.001431 0.000980 0.002634 0.000366 302 C 22 X 0.006226 -0.003759 -0.002320 -0.010229 0.000736 303 C 22 Y -0.011670 0.009390 0.006235 0.015027 0.005845 304 C 22 Z -0.000254 0.001194 0.000439 0.000088 0.000317 305 C 22 XX -0.001363 0.000477 -0.000901 -0.000600 -0.001850 306 C 22 YY 0.000190 0.000337 0.001583 0.002924 0.001998 307 C 22 ZZ 0.001173 -0.000814 -0.000682 -0.002324 -0.000148 308 C 22 XY 0.002786 -0.001673 -0.000798 -0.003218 -0.000180 309 C 22 XZ 0.000259 -0.000091 0.000004 -0.000274 0.000050 310 C 22 YZ -0.000262 0.000236 0.000174 0.000426 0.000122 311 H 23 S 0.046638 -0.023833 -0.024400 -0.036561 -0.022947 312 H 23 S 0.005575 -0.002508 -0.004789 -0.007956 -0.003932 313 H 23 X 0.004374 -0.002243 -0.002286 -0.003675 -0.001903 314 H 23 Y 0.004719 -0.002389 -0.001975 -0.002748 -0.001451 315 H 23 Z 0.000054 -0.000071 -0.000042 0.000029 -0.000047 316 H 24 S 0.059182 -0.030561 -0.020381 -0.040875 -0.009424 317 H 24 S 0.007805 -0.004267 -0.003052 -0.006872 -0.001426 318 H 24 X -0.004108 0.002035 0.001610 0.002652 0.001035 319 H 24 Y 0.000819 -0.000338 -0.000015 0.000036 0.000250 320 H 24 Z -0.006467 0.003318 0.002082 0.004130 0.000890 321 H 25 S 0.060276 -0.031198 -0.020372 -0.041065 -0.008901 322 H 25 S 0.008622 -0.004746 -0.003566 -0.007884 -0.001751 323 H 25 X -0.003697 0.001803 0.001451 0.002408 0.000968 324 H 25 Y 0.000042 0.000021 0.000207 0.000508 0.000319 325 H 25 Z 0.006839 -0.003526 -0.002198 -0.004290 -0.000939 326 C 26 S -0.005187 -0.011510 -0.007288 0.003942 -0.002267 327 C 26 S 0.093954 0.168531 0.110544 -0.073092 0.026747 328 C 26 S 0.056572 0.102829 0.080433 -0.049517 0.016596 329 C 26 X 0.003556 0.006160 -0.000653 -0.003154 -0.008105 330 C 26 Y -0.009483 0.004211 0.000843 0.015801 0.011210 331 C 26 Z -0.012085 -0.027724 -0.041921 0.041111 -0.021874 332 C 26 X -0.002065 -0.001984 0.000269 0.003060 -0.000653 333 C 26 Y 0.004010 -0.006171 -0.007027 -0.000149 -0.004378 334 C 26 Z -0.009464 -0.010811 -0.012898 0.017944 -0.008956 335 C 26 XX 0.001355 0.000928 0.002256 -0.002933 0.001060 336 C 26 YY 0.000496 0.001274 0.002773 -0.002290 0.002017 337 C 26 ZZ -0.001851 -0.002202 -0.005029 0.005224 -0.003076 338 C 26 XY 0.000130 0.000017 -0.000271 -0.000063 -0.000072 339 C 26 XZ 0.000205 0.000550 -0.000125 -0.000194 -0.000489 340 C 26 YZ -0.000524 -0.000423 -0.001180 0.002151 0.000726 341 H 27 S 0.051321 0.082508 0.064664 -0.051785 0.017304 342 H 27 S 0.008413 0.012130 0.007417 -0.007514 -0.001198 343 H 27 X 0.005254 0.008390 0.005923 -0.004947 0.000864 344 H 27 Y 0.003941 0.007683 0.005693 -0.003516 0.001656 345 H 27 Z 0.001270 0.002092 0.000989 -0.000625 -0.000285 346 H 28 S 0.045159 0.096002 0.071473 -0.042035 0.029451 347 H 28 S 0.002792 0.017858 0.015082 -0.005857 0.006698 348 H 28 X 0.001301 0.002654 0.001469 -0.001109 0.000494 349 H 28 Y -0.005510 -0.011105 -0.007777 0.004760 -0.002961 350 H 28 Z 0.002904 0.005290 0.003426 -0.001917 0.000779 351 H 29 S 0.053520 0.092787 0.065166 -0.053199 0.012323 352 H 29 S 0.009270 0.013653 0.010108 -0.011466 0.003149 353 H 29 X -0.006105 -0.010903 -0.007321 0.005815 -0.001426 354 H 29 Y 0.002055 0.005415 0.003610 -0.001959 0.001261 355 H 29 Z 0.001863 0.002498 0.001515 -0.001091 0.000343 356 C 30 S 0.002875 -0.011735 -0.006322 -0.001243 -0.004361 357 C 30 S -0.065463 0.171466 0.095390 0.032454 0.065224 358 C 30 S -0.031884 0.108031 0.067116 0.019751 0.046193 359 C 30 X -0.000951 0.008700 0.002557 0.009170 0.002887 360 C 30 Y -0.010743 -0.001209 -0.004115 0.021084 0.002833 361 C 30 Z -0.008745 0.029152 0.037502 0.014507 0.045937 362 C 30 X -0.000137 -0.002793 0.001913 -0.000452 -0.001095 363 C 30 Y 0.006790 0.006927 0.005305 -0.003496 0.000709 364 C 30 Z -0.013200 0.012921 0.008257 0.008269 0.019252 365 C 30 XX -0.001347 0.001023 0.001569 0.001321 0.002970 366 C 30 YY -0.000677 0.001524 0.002570 0.000428 0.003085 367 C 30 ZZ 0.002024 -0.002547 -0.004139 -0.001749 -0.006055 368 C 30 XY -0.000115 -0.000184 0.000157 0.000006 -0.000410 369 C 30 XZ 0.000071 -0.000767 -0.000363 -0.001009 -0.001002 370 C 30 YZ 0.000344 -0.000890 -0.000935 -0.002106 -0.000783 371 H 31 S -0.029378 0.097887 0.064337 0.009642 0.049004 372 H 31 S 0.003128 0.016861 0.014149 -0.000745 0.008670 373 H 31 X 0.000179 -0.000271 -0.000514 0.000231 -0.000095 374 H 31 Y -0.003672 0.011305 0.007089 0.001409 0.005378 375 H 31 Z 0.002005 -0.005630 -0.002916 -0.000900 -0.002003 376 H 32 S -0.037669 0.085257 0.054602 0.021972 0.045218 377 H 32 S -0.006511 0.010033 0.012134 0.005197 0.003557 378 H 32 X -0.004225 0.009617 0.006330 0.002806 0.004284 379 H 32 Y 0.001765 -0.005956 -0.004065 -0.000478 -0.002393 380 H 32 Z 0.001295 -0.002853 -0.001355 -0.000718 -0.000488 381 H 33 S -0.038014 0.094927 0.055011 0.031874 0.045377 382 H 33 S -0.006933 0.013524 0.008194 0.007681 0.009907 383 H 33 X 0.004041 -0.009880 -0.005590 -0.003135 -0.004418 384 H 33 Y 0.001905 -0.007494 -0.004372 -0.001322 -0.003120 385 H 33 Z 0.000915 -0.001658 -0.000689 -0.000233 -0.000297 386 H 34 S -0.031460 -0.012125 -0.035313 0.043460 0.000448 387 H 34 S -0.004160 -0.000806 -0.004349 0.007583 -0.000570 388 H 34 X -0.001654 -0.000627 -0.001311 0.001612 0.000411 389 H 34 Y 0.002180 0.000814 0.001492 -0.001363 -0.000349 390 H 34 Z 0.003550 0.001291 0.003810 -0.004584 -0.000062 391 F 35 S 0.000191 0.002338 -0.001485 0.000608 -0.001641 392 F 35 S 0.008155 0.070482 -0.042056 0.016499 -0.045167 393 F 35 S 0.011189 0.089915 -0.054087 0.021906 -0.060946 394 F 35 X -0.020226 -0.147216 0.098689 -0.049975 0.109336 395 F 35 Y 0.054104 -0.020392 0.010886 0.129585 0.091988 396 F 35 Z 0.012007 0.066382 -0.071126 0.054023 -0.125951 397 F 35 X -0.012208 -0.090984 0.060830 -0.032491 0.071594 398 F 35 Y 0.031043 -0.012716 0.006857 0.079525 0.057427 399 F 35 Z 0.007742 0.044090 -0.045823 0.034659 -0.081606 400 F 35 XX -0.000977 -0.005819 0.003486 -0.001950 0.003393 401 F 35 YY 0.000849 0.003687 -0.002639 0.001918 -0.002761 402 F 35 ZZ 0.000129 0.002132 -0.000847 0.000032 -0.000632 403 F 35 XY 0.002454 -0.001380 0.000768 0.004630 0.003708 404 F 35 XZ 0.000834 0.004810 -0.004106 0.002641 -0.005966 405 F 35 YZ -0.000732 0.000558 -0.000449 -0.001280 -0.001491 406 F 36 S 0.000193 0.001278 -0.001450 0.000132 -0.000549 407 F 36 S 0.007567 0.057651 -0.051101 0.007226 -0.023923 408 F 36 S 0.010079 0.082423 -0.072586 0.010416 -0.034556 409 F 36 X -0.001768 0.029453 -0.019724 0.030136 -0.118552 410 F 36 Y 0.054163 0.010358 -0.015048 0.123856 0.050139 411 F 36 Z -0.012083 -0.138835 0.139422 -0.016290 0.096808 412 F 36 X -0.000156 0.022209 -0.015562 0.019201 -0.075352 413 F 36 Y 0.029276 0.007287 -0.010011 0.076353 0.031123 414 F 36 Z -0.007938 -0.086455 0.087851 -0.011492 0.063864 415 F 36 XX 0.000409 0.003507 -0.003111 0.000714 -0.002280 416 F 36 YY -0.000009 0.003129 -0.002998 -0.000137 -0.002379 417 F 36 ZZ -0.000400 -0.006636 0.006109 -0.000577 0.004660 418 F 36 XY 0.000109 -0.000096 0.000071 -0.000029 0.000449 419 F 36 XZ -0.000078 0.001341 -0.000863 0.001164 -0.004456 420 F 36 YZ 0.002711 0.000899 -0.001061 0.005041 0.001602 421 C 37 S 0.003371 -0.000115 -0.003512 0.003366 -0.002573 422 C 37 S -0.056625 -0.018243 0.033251 -0.043438 0.028967 423 C 37 S -0.045013 0.018817 0.023585 -0.028734 0.047924 424 C 37 X -0.003633 0.005162 0.019267 -0.039635 0.011537 425 C 37 Y 0.011007 0.007133 0.064449 -0.086026 0.033676 426 C 37 Z -0.004246 -0.007904 0.001062 -0.008331 0.000603 427 C 37 X 0.010945 -0.016715 0.002730 -0.008472 -0.014244 428 C 37 Y 0.007910 0.012086 0.017414 -0.013231 -0.005979 429 C 37 Z 0.000238 0.002634 0.002945 -0.002914 -0.002176 430 C 37 XX -0.001357 -0.000571 -0.002346 0.004924 0.000899 431 C 37 YY -0.001055 -0.000801 0.001482 -0.003959 -0.000650 432 C 37 ZZ 0.002413 0.001372 0.000863 -0.000965 -0.000250 433 C 37 XY -0.005078 -0.002849 -0.007543 0.009435 -0.001834 434 C 37 XZ -0.000239 0.000830 -0.000110 0.001825 0.000601 435 C 37 YZ -0.000208 0.000379 0.000111 0.000532 0.000207 436 S 38 S 0.000057 -0.000019 -0.000023 0.000191 0.000159 437 S 38 S -0.000602 -0.000373 -0.000189 0.001250 0.001033 438 S 38 S 0.188229 0.066374 -0.005880 0.015097 -0.078029 439 S 38 S 0.169817 0.067151 -0.004840 0.004467 -0.090086 440 S 38 X -0.002467 -0.000691 -0.000223 0.000164 0.000845 441 S 38 Y 0.000372 -0.000202 -0.000420 0.000782 0.001331 442 S 38 Z -0.000041 0.000001 0.000104 0.000119 -0.000021 443 S 38 X 0.035182 0.008741 0.013623 -0.003557 -0.021560 444 S 38 Y 0.013117 0.008008 0.011911 -0.013822 -0.030908 445 S 38 Z -0.001128 -0.001776 -0.001442 -0.002862 -0.002110 446 S 38 X 0.010956 0.002956 0.000273 -0.005356 0.000799 447 S 38 Y 0.006833 0.001707 0.002577 -0.004647 -0.007410 448 S 38 Z 0.000587 -0.001750 -0.002031 -0.000895 0.001265 449 S 38 XX 0.012019 0.005421 0.006071 -0.007788 -0.008453 450 S 38 YY -0.007081 -0.004271 -0.006729 0.007864 0.008726 451 S 38 ZZ -0.004938 -0.001150 0.000657 -0.000075 -0.000272 452 S 38 XY -0.002588 0.000697 -0.000573 -0.002663 0.001801 453 S 38 XZ 0.000129 -0.000119 -0.000013 -0.000087 -0.000461 454 S 38 YZ 0.000550 0.000863 0.000155 0.000754 0.000180 455 S 38 XX 0.002037 0.000815 0.001138 -0.001266 -0.001678 456 S 38 YY -0.001154 -0.000628 -0.001196 0.001410 0.001704 457 S 38 ZZ -0.000883 -0.000188 0.000058 -0.000143 -0.000026 458 S 38 XY -0.000398 0.000081 -0.000129 -0.000467 0.000227 459 S 38 XZ 0.000071 -0.000018 -0.000016 0.000028 -0.000100 460 S 38 YZ 0.000091 0.000062 0.000008 0.000212 0.000088 461 H 39 S -0.034072 -0.005937 0.022892 -0.038333 0.020692 462 H 39 S -0.007961 0.006050 0.006949 -0.006551 0.008751 463 H 39 X 0.004346 0.001294 -0.002556 0.003890 -0.001937 464 H 39 Y -0.000069 0.000067 0.002203 -0.003627 0.001208 465 H 39 Z -0.000167 -0.000352 -0.000116 -0.000301 -0.000045 56 57 58 59 60 -0.8090 -0.8040 -0.7900 -0.7770 -0.7651 A A A A A 1 C 1 S 0.000557 -0.001791 0.000432 -0.003784 0.000769 2 C 1 S -0.015750 0.043931 -0.000211 0.140636 -0.033792 3 C 1 S -0.024215 0.038913 -0.012578 0.135464 -0.039421 4 C 1 X -0.017089 0.007493 0.039361 -0.076077 0.004955 5 C 1 Y -0.014033 0.008042 0.020823 -0.018626 0.002518 6 C 1 Z 0.000259 -0.000048 -0.001908 0.004786 0.000922 7 C 1 X -0.009212 -0.001947 0.026130 -0.036230 0.004037 8 C 1 Y -0.007245 0.019884 0.012607 0.010999 0.005394 9 C 1 Z -0.000451 0.001917 -0.000974 0.004070 -0.001372 10 C 1 XX 0.000334 0.002022 -0.002464 0.005969 -0.001168 11 C 1 YY -0.001032 -0.000521 0.002371 -0.002594 0.000395 12 C 1 ZZ 0.000698 -0.001501 0.000093 -0.003375 0.000773 13 C 1 XY -0.001215 0.003635 0.001071 0.000743 -0.000976 14 C 1 XZ 0.000207 -0.000191 0.000286 -0.001058 0.000311 15 C 1 YZ 0.000025 -0.000219 0.000123 0.000056 0.000081 16 C 2 S -0.001744 -0.000280 0.000569 0.001044 -0.000705 17 C 2 S 0.021142 -0.004240 -0.029833 -0.030428 0.009815 18 C 2 S 0.039015 -0.002676 0.002666 -0.036236 0.022118 19 C 2 X -0.013392 0.014753 -0.007515 0.160842 -0.027248 20 C 2 Y -0.012562 -0.030091 0.045258 -0.105328 0.020989 21 C 2 Z -0.002412 -0.002210 0.000691 -0.013361 0.002719 22 C 2 X -0.001408 0.012319 0.004987 0.029379 -0.000502 23 C 2 Y 0.004987 -0.007752 0.009194 -0.033048 0.001975 24 C 2 Z 0.000719 0.000288 -0.001886 -0.003181 0.001549 25 C 2 XX 0.000138 0.004065 -0.001793 0.013852 -0.002424 26 C 2 YY 0.000604 -0.004726 0.002350 -0.014891 0.002862 27 C 2 ZZ -0.000742 0.000661 -0.000557 0.001040 -0.000438 28 C 2 XY 0.000239 -0.001141 -0.001200 0.001239 0.000920 29 C 2 XZ 0.000204 -0.000191 -0.000008 -0.000873 0.000499 30 C 2 YZ -0.000444 -0.000351 -0.000704 -0.001040 -0.000259 31 C 3 S -0.000030 -0.001691 -0.002111 0.003266 -0.001206 32 C 3 S -0.026917 -0.023477 0.050348 -0.085754 0.005930 33 C 3 S 0.001433 0.066536 0.053259 -0.071871 0.048620 34 C 3 X 0.003543 -0.079840 -0.009146 0.046105 0.019597 35 C 3 Y -0.025799 0.014068 0.002477 0.138433 -0.029347 36 C 3 Z -0.009626 -0.006235 -0.009194 0.004981 -0.003018 37 C 3 X -0.004485 -0.081516 0.006218 0.024359 -0.024360 38 C 3 Y 0.019413 0.022916 0.017820 0.059978 0.004803 39 C 3 Z -0.000202 -0.005564 0.001891 0.006542 0.004909 40 C 3 XX -0.000206 0.001888 0.001373 0.001836 -0.000253 41 C 3 YY 0.000021 -0.002347 -0.000793 -0.003148 0.001499 42 C 3 ZZ 0.000185 0.000459 -0.000581 0.001312 -0.001246 43 C 3 XY 0.002894 -0.007128 -0.001897 0.000307 0.000611 44 C 3 XZ 0.000926 -0.000585 0.003134 0.000702 0.001567 45 C 3 YZ -0.000890 -0.001149 -0.000677 0.000265 -0.000314 46 C 4 S -0.001045 0.002262 0.001237 -0.001322 -0.000097 47 C 4 S 0.032338 -0.056916 -0.048049 0.070538 0.004748 48 C 4 S 0.025620 -0.057627 -0.054686 0.051556 0.005733 49 C 4 X 0.029743 0.017309 -0.029666 -0.063100 0.008225 50 C 4 Y 0.034075 0.040343 -0.045679 0.043352 -0.015404 51 C 4 Z -0.016418 0.006396 0.020223 -0.019104 0.001687 52 C 4 X 0.019093 0.008537 -0.017457 -0.026617 0.011080 53 C 4 Y 0.023487 0.011274 -0.005314 0.026521 -0.017857 54 C 4 Z -0.008894 0.010112 0.011941 -0.007834 -0.009656 55 C 4 XX -0.002901 -0.002192 0.002315 -0.001706 0.000135 56 C 4 YY 0.002744 -0.000030 -0.001622 0.000507 0.000373 57 C 4 ZZ 0.000158 0.002221 -0.000693 0.001199 -0.000508 58 C 4 XY -0.001862 -0.002664 0.000998 0.000816 -0.000426 59 C 4 XZ -0.001217 -0.000275 0.002056 0.002978 -0.000313 60 C 4 YZ -0.002890 -0.001649 0.003782 -0.003499 0.001115 61 S 5 S 0.000096 -0.000103 -0.000285 0.000311 -0.000021 62 S 5 S 0.000711 -0.000658 -0.001980 0.001697 -0.000121 63 S 5 S -0.013348 0.029021 0.026126 -0.108788 0.010881 64 S 5 S -0.013678 0.031273 0.036774 -0.130137 0.006550 65 S 5 X -0.000113 -0.000448 -0.000146 0.000969 0.000254 66 S 5 Y -0.001027 0.001407 0.001428 0.001287 -0.000681 67 S 5 Z -0.000031 0.000103 0.000090 0.000240 -0.000151 68 S 5 X -0.002979 0.014349 0.006531 -0.029315 0.000555 69 S 5 Y 0.028231 -0.030853 -0.034650 -0.033038 0.015084 70 S 5 Z 0.001031 -0.004582 -0.000235 -0.004722 0.002909 71 S 5 X -0.002474 0.006956 -0.000407 -0.017353 0.002789 72 S 5 Y 0.005513 -0.011980 -0.008138 -0.014386 0.006736 73 S 5 Z 0.000659 -0.002162 0.001095 -0.001583 0.001636 74 S 5 XX 0.001282 -0.005080 -0.000916 0.001973 0.001355 75 S 5 YY -0.001387 0.005039 0.001093 0.002236 -0.002135 76 S 5 ZZ 0.000105 0.000041 -0.000177 -0.004209 0.000780 77 S 5 XY -0.007312 0.009618 0.008572 0.008630 -0.004193 78 S 5 XZ -0.000943 0.002506 0.000572 0.000985 -0.001018 79 S 5 YZ 0.001078 -0.001431 -0.001168 -0.001383 0.000526 80 S 5 XX 0.000120 -0.000938 -0.000211 0.000182 0.000269 81 S 5 YY -0.000154 0.000928 0.000192 0.000475 -0.000365 82 S 5 ZZ 0.000034 0.000010 0.000019 -0.000658 0.000095 83 S 5 XY -0.001355 0.001720 0.001610 0.001514 -0.000754 84 S 5 XZ -0.000088 0.000350 0.000123 0.000250 -0.000164 85 S 5 YZ 0.000161 -0.000208 -0.000173 -0.000262 0.000104 86 H 6 S 0.026267 0.005016 -0.038086 -0.041879 0.009016 87 H 6 S 0.004478 0.003707 -0.015006 -0.016606 -0.002929 88 H 6 X 0.001380 0.001494 -0.003059 0.000734 -0.000532 89 H 6 Y 0.001795 -0.000296 -0.002669 -0.005943 0.000974 90 H 6 Z -0.000087 -0.000059 0.000012 -0.000351 0.000117 91 C 7 S 0.001170 0.002877 -0.001866 0.002517 -0.001726 92 C 7 S -0.044682 0.000989 0.078024 -0.071192 0.018227 93 C 7 S -0.011616 -0.089680 0.056514 -0.081339 0.034765 94 C 7 X 0.011623 0.066587 0.000074 0.028531 -0.017344 95 C 7 Y 0.036145 0.012389 -0.028116 -0.081710 0.001658 96 C 7 Z -0.004296 -0.005446 -0.018161 0.001297 0.007220 97 C 7 X 0.014086 0.069080 0.028974 0.011650 -0.022148 98 C 7 Y -0.014464 0.039232 -0.009864 -0.044776 -0.001261 99 C 7 Z -0.003353 -0.010997 -0.007797 -0.000168 -0.000951 100 C 7 XX 0.000956 -0.001315 0.001505 -0.003397 -0.000254 101 C 7 YY -0.000732 0.000786 0.000958 0.000641 -0.000086 102 C 7 ZZ -0.000224 0.000529 -0.002462 0.002756 0.000341 103 C 7 XY -0.003800 -0.004161 0.001527 0.001170 0.000894 104 C 7 XZ 0.002084 -0.001184 0.000101 0.001309 -0.001004 105 C 7 YZ 0.001095 0.000070 0.000902 0.000093 -0.000468 106 C 8 S 0.001839 0.001762 0.000148 -0.003350 -0.000767 107 C 8 S -0.033820 -0.041900 0.024019 0.127157 -0.003402 108 C 8 S -0.047106 -0.039898 0.018448 0.124437 0.004575 109 C 8 X -0.020718 -0.018562 0.031623 -0.041336 0.013191 110 C 8 Y 0.025249 0.017701 -0.032674 0.020261 -0.007841 111 C 8 Z 0.003398 0.001758 -0.004104 0.003690 -0.000728 112 C 8 X 0.001746 0.001532 0.029548 -0.042964 -0.006456 113 C 8 Y 0.020739 0.023111 -0.008487 -0.005212 -0.008327 114 C 8 Z 0.003156 0.001637 -0.001123 -0.001146 -0.000235 115 C 8 XX 0.000468 -0.000507 -0.002732 0.005809 -0.000116 116 C 8 YY -0.001478 -0.000605 0.002497 -0.001244 0.000184 117 C 8 ZZ 0.001010 0.001112 0.000235 -0.004565 -0.000067 118 C 8 XY 0.001717 0.002886 -0.000121 -0.003212 -0.000332 119 C 8 XZ 0.000247 0.000358 -0.000237 0.000533 -0.000222 120 C 8 YZ -0.000430 -0.000091 0.000474 -0.000202 0.000052 121 C 9 S -0.000498 -0.001682 0.001705 0.000245 0.000149 122 C 9 S 0.044212 0.051474 -0.035260 0.005194 -0.016566 123 C 9 S 0.013406 0.045269 -0.061021 -0.000558 -0.003364 124 C 9 X 0.045472 -0.001559 -0.064470 -0.055771 -0.001085 125 C 9 Y -0.020396 0.037415 0.045008 -0.085527 0.001024 126 C 9 Z 0.015857 0.008192 -0.017095 0.020906 -0.002020 127 C 9 X 0.026765 -0.005456 -0.036832 -0.031169 0.000047 128 C 9 Y -0.015698 0.003806 0.010519 -0.039596 0.009901 129 C 9 Z -0.003789 0.011075 -0.021908 0.005108 0.012059 130 C 9 XX -0.002710 0.003132 0.004906 -0.006747 0.000770 131 C 9 YY 0.002470 -0.001596 -0.003347 0.003427 -0.000391 132 C 9 ZZ 0.000240 -0.001536 -0.001559 0.003320 -0.000379 133 C 9 XY 0.001992 -0.001301 -0.003904 -0.002457 -0.000159 134 C 9 XZ 0.002570 -0.000364 -0.002289 -0.002318 -0.000403 135 C 9 YZ -0.002750 0.001633 0.003885 -0.005378 0.000470 136 C 10 S -0.001795 0.004361 -0.001500 -0.000962 -0.000179 137 C 10 S -0.005680 -0.044012 -0.045902 0.034287 0.016466 138 C 10 S 0.030751 -0.034843 0.010386 0.040057 0.015928 139 C 10 X -0.083614 0.002329 0.089010 0.030975 0.002392 140 C 10 Y 0.016682 -0.048124 0.027836 -0.122404 0.018859 141 C 10 Z -0.007472 0.020832 -0.046280 -0.000524 0.017281 142 C 10 X -0.071457 0.092402 0.012085 -0.003620 -0.006867 143 C 10 Y 0.016318 0.048876 0.036945 -0.039027 -0.020604 144 C 10 Z 0.001240 0.002631 -0.024422 0.005578 0.025240 145 C 10 XX 0.003650 -0.005784 0.000807 -0.005430 0.003579 146 C 10 YY -0.001899 0.004860 -0.001886 0.007231 -0.003964 147 C 10 ZZ -0.001752 0.000923 0.001079 -0.001801 0.000385 148 C 10 XY -0.005895 -0.006567 0.001931 -0.002960 0.006638 149 C 10 XZ 0.003678 -0.004497 0.003823 0.000479 -0.007565 150 C 10 YZ 0.001868 0.001809 0.000473 0.001602 0.000740 151 C 11 S -0.001840 -0.004583 -0.002136 -0.001343 0.001327 152 C 11 S 0.002356 0.075210 -0.023476 0.036899 -0.031844 153 C 11 S 0.024180 0.052570 0.017349 0.039630 -0.092919 154 C 11 X -0.056226 0.006227 0.053549 0.001673 -0.002273 155 C 11 Y -0.029530 -0.016353 -0.025700 0.125721 -0.005059 156 C 11 Z -0.022204 -0.001886 -0.034354 -0.004528 -0.018961 157 C 11 X -0.055999 -0.085932 -0.011056 -0.015197 -0.022799 158 C 11 Y -0.015847 0.053157 -0.018206 0.036173 0.006551 159 C 11 Z -0.015971 -0.000301 -0.022795 -0.007399 -0.023874 160 C 11 XX 0.002170 0.003743 0.003511 -0.004885 -0.005297 161 C 11 YY -0.001408 -0.002993 -0.004217 0.006260 0.003327 162 C 11 ZZ -0.000762 -0.000750 0.000706 -0.001375 0.001970 163 C 11 XY 0.002655 -0.005624 -0.000144 0.005801 0.003783 164 C 11 XZ 0.004353 0.001626 0.005723 0.000794 0.006085 165 C 11 YZ 0.000015 0.001976 -0.001261 0.000667 0.002425 166 C 12 S 0.005762 0.005024 0.004903 0.002693 0.003473 167 C 12 S 0.016059 0.035596 0.011649 0.000714 0.012786 168 C 12 S -0.062138 0.016925 -0.073885 -0.038408 -0.005991 169 C 12 X 0.107152 -0.026609 -0.123828 -0.056939 -0.003061 170 C 12 Y 0.074829 0.126546 0.037621 0.031244 -0.153282 171 C 12 Z -0.093439 0.152136 -0.093612 0.019579 0.184518 172 C 12 X 0.019796 0.013541 -0.056954 -0.024515 -0.013218 173 C 12 Y 0.040109 0.021713 0.014513 0.022534 -0.007394 174 C 12 Z -0.009289 0.031746 -0.005726 0.002065 0.007600 175 C 12 XX -0.001527 -0.012537 -0.007669 -0.000901 0.004725 176 C 12 YY 0.004400 0.004928 0.011955 0.000758 -0.025526 177 C 12 ZZ -0.002874 0.007610 -0.004286 0.000143 0.020800 178 C 12 XY -0.004868 -0.012271 -0.005809 -0.012272 0.010704 179 C 12 XZ 0.009255 -0.008770 -0.000121 -0.000243 -0.011127 180 C 12 YZ 0.000290 0.006649 -0.002858 0.003883 0.016067 181 C 13 S 0.001575 0.001773 -0.007658 -0.000571 0.000794 182 C 13 S 0.012458 0.007535 -0.019421 -0.018996 0.003646 183 C 13 S 0.013007 -0.013339 0.088481 0.002894 0.001890 184 C 13 X 0.023774 -0.043679 0.195150 -0.013830 0.010160 185 C 13 Y 0.009152 -0.143875 -0.006591 0.017246 0.049748 186 C 13 Z -0.233807 -0.006472 -0.013905 -0.050824 -0.009698 187 C 13 X 0.002167 -0.009488 0.063988 -0.007864 -0.002430 188 C 13 Y -0.003273 -0.050091 -0.004040 0.004407 0.012829 189 C 13 Z -0.032532 -0.006174 0.015037 -0.006930 0.003658 190 C 13 XX -0.007323 0.005749 -0.024230 -0.003818 -0.001698 191 C 13 YY -0.008991 -0.005993 0.018012 0.001923 -0.003144 192 C 13 ZZ 0.016314 0.000244 0.006218 0.001895 0.004842 193 C 13 XY -0.000339 -0.002732 -0.004312 -0.002274 -0.003889 194 C 13 XZ 0.008095 0.000577 -0.010428 0.004677 0.000182 195 C 13 YZ -0.001949 0.009547 0.003053 0.001875 0.013333 196 C 14 S 0.004579 -0.005249 0.002088 0.002093 -0.002746 197 C 14 S 0.006893 -0.043325 0.007702 0.006854 -0.010429 198 C 14 S -0.053930 -0.007154 -0.048221 -0.031249 0.002034 199 C 14 X 0.098015 0.023418 -0.061781 -0.023510 0.032019 200 C 14 Y -0.026333 0.135011 0.042584 -0.061317 -0.099400 201 C 14 Z -0.106391 -0.065448 -0.135249 -0.028797 -0.184947 202 C 14 X 0.021435 -0.006623 -0.033770 -0.007095 0.020622 203 C 14 Y -0.028902 0.021758 -0.001765 -0.025515 -0.010943 204 C 14 Z -0.011878 -0.019964 -0.021389 -0.002139 -0.011834 205 C 14 XX -0.001017 0.016922 -0.002272 -0.005788 -0.007483 206 C 14 YY 0.002653 -0.012619 0.003748 0.007590 0.017180 207 C 14 ZZ -0.001635 -0.004303 -0.001476 -0.001802 -0.009697 208 C 14 XY 0.000927 -0.008866 -0.002923 0.011055 0.000331 209 C 14 XZ 0.010018 0.006611 0.002969 0.002397 0.008936 210 C 14 YZ 0.002530 0.004148 0.009358 0.002404 0.022733 211 F 15 S 0.000696 -0.001285 -0.000046 -0.000202 -0.001988 212 F 15 S 0.037812 -0.057278 0.016442 -0.007546 -0.051161 213 F 15 S 0.064781 -0.089011 0.032937 -0.009441 -0.078095 214 F 15 X 0.064739 0.066522 -0.156080 -0.039782 0.080872 215 F 15 Y 0.106611 0.094170 0.039812 0.053325 -0.158218 216 F 15 Z 0.138808 -0.221244 0.026935 -0.056216 -0.210640 217 F 15 X 0.042773 0.042611 -0.099173 -0.024976 0.054116 218 F 15 Y 0.068610 0.059876 0.025183 0.034743 -0.108766 219 F 15 Z 0.088055 -0.142935 0.015803 -0.037564 -0.136861 220 F 15 XX 0.003393 -0.003583 -0.001033 -0.001354 -0.002993 221 F 15 YY 0.001570 -0.004719 0.000961 -0.001128 -0.003232 222 F 15 ZZ -0.004963 0.008301 0.000072 0.002482 0.006225 223 F 15 XY 0.000459 0.000379 0.000982 0.000271 -0.001803 224 F 15 XZ -0.001053 -0.004301 0.005317 0.000809 -0.004231 225 F 15 YZ -0.004020 -0.002370 -0.001399 -0.001253 0.006318 226 F 16 S -0.000545 -0.000576 -0.000932 0.000119 0.002203 227 F 16 S -0.028200 -0.015524 -0.031839 -0.005600 0.058833 228 F 16 S -0.047056 -0.018601 -0.048556 -0.012293 0.091029 229 F 16 X 0.129639 0.010082 -0.056145 -0.094863 -0.138490 230 F 16 Y -0.080926 0.032306 -0.163625 -0.035995 0.263204 231 F 16 Z 0.005973 0.225358 0.034716 0.069830 -0.074787 232 F 16 X 0.083689 0.005998 -0.033846 -0.061038 -0.090114 233 F 16 Y -0.054361 0.020976 -0.107734 -0.023301 0.170638 234 F 16 Z 0.003427 0.148553 0.020725 0.045353 -0.044669 235 F 16 XX -0.000003 -0.001464 -0.003764 -0.002098 0.003329 236 F 16 YY 0.002059 -0.003029 0.005734 0.001034 -0.007126 237 F 16 ZZ -0.002056 0.004493 -0.001969 0.001064 0.003798 238 F 16 XY -0.004928 -0.000288 0.000100 0.001834 0.006171 239 F 16 XZ 0.002292 0.002235 -0.000912 -0.000597 -0.002396 240 F 16 YZ -0.001065 -0.006567 -0.003170 -0.002321 0.005039 241 F 17 S -0.000564 0.000882 -0.000532 -0.000449 -0.001727 242 F 17 S -0.026655 0.023790 -0.020768 -0.017661 -0.053059 243 F 17 S -0.043364 0.030782 -0.033798 -0.028895 -0.084531 244 F 17 X 0.088980 -0.009813 -0.039984 -0.052056 0.093282 245 F 17 Y 0.098448 0.019577 0.157372 0.054675 0.220584 246 F 17 Z 0.017507 -0.189391 -0.046180 0.088595 0.129027 247 F 17 X 0.056881 -0.006495 -0.024663 -0.033872 0.060116 248 F 17 Y 0.066252 0.012676 0.104343 0.036355 0.144754 249 F 17 Z 0.011281 -0.124699 -0.032531 0.057368 0.081099 250 F 17 XX -0.001366 0.002268 -0.001966 -0.002213 -0.004207 251 F 17 YY 0.002807 0.002826 0.005532 0.000826 0.004899 252 F 17 ZZ -0.001441 -0.005094 -0.003567 0.001387 -0.000692 253 F 17 XY 0.002955 -0.000356 -0.000527 -0.000627 0.003110 254 F 17 XZ 0.002358 -0.000784 -0.001265 -0.000551 0.002265 255 F 17 YZ 0.002376 -0.004871 0.001844 0.003259 0.007070 256 F 18 S 0.001029 0.000941 0.000365 0.000185 0.001511 257 F 18 S 0.040896 0.042381 0.034794 0.002260 0.044371 258 F 18 S 0.065518 0.065565 0.060951 0.004486 0.070262 259 F 18 X 0.047874 -0.052569 -0.131120 -0.022916 -0.042801 260 F 18 Y -0.119487 0.039762 -0.028712 -0.075635 -0.197875 261 F 18 Z 0.121867 0.181491 0.109910 -0.036890 0.138939 262 F 18 X 0.032060 -0.033343 -0.084233 -0.013862 -0.027769 263 F 18 Y -0.077042 0.024953 -0.017787 -0.050058 -0.133940 264 F 18 Z 0.078129 0.116823 0.070255 -0.025124 0.089010 265 F 18 XX 0.003390 0.002644 0.000778 -0.000572 0.002877 266 F 18 YY 0.000055 0.003866 0.001938 -0.001529 -0.000458 267 F 18 ZZ -0.003446 -0.006511 -0.002716 0.002101 -0.002419 268 F 18 XY -0.000288 -0.000343 -0.001951 -0.000651 -0.002374 269 F 18 XZ -0.000342 0.003462 0.005033 0.000288 0.002302 270 F 18 YZ 0.004982 0.000831 0.002086 0.001676 0.007518 271 C 19 S -0.000830 -0.001243 0.000459 0.003406 -0.000237 272 C 19 S 0.016163 0.025408 -0.004057 -0.060310 0.000659 273 C 19 S 0.007111 0.009497 -0.011247 -0.036648 0.005995 274 C 19 X 0.002456 0.008615 0.007272 -0.061391 0.005501 275 C 19 Y 0.018607 0.026590 -0.012736 -0.063960 -0.001658 276 C 19 Z 0.002409 0.003469 -0.001599 -0.008990 0.000087 277 C 19 X 0.002100 0.006357 0.001274 -0.019004 0.001067 278 C 19 Y 0.008055 0.012448 0.000543 -0.027930 -0.003355 279 C 19 Z 0.001253 0.002686 0.000066 -0.003372 -0.001044 280 C 19 XX 0.000716 0.000474 -0.000362 -0.000713 -0.000323 281 C 19 YY -0.001862 -0.002202 0.001206 0.004419 0.000443 282 C 19 ZZ 0.001145 0.001727 -0.000845 -0.003706 -0.000120 283 C 19 XY -0.001117 -0.002217 0.000163 0.008022 -0.000357 284 C 19 XZ -0.000189 -0.000363 0.000058 0.000975 -0.000011 285 C 19 YZ -0.000479 -0.000613 0.000287 0.001390 0.000097 286 H 20 S 0.008080 0.016112 0.004459 -0.069631 0.004814 287 H 20 S 0.002006 0.003284 0.001450 -0.018052 0.001121 288 H 20 X -0.000899 -0.001775 -0.000167 0.006240 -0.000464 289 H 20 Y 0.000540 0.000963 0.000005 -0.003290 0.000079 290 H 20 Z 0.000013 -0.000023 -0.000027 -0.000069 0.000020 291 H 21 S 0.015651 0.023027 -0.008214 -0.050704 -0.001260 292 H 21 S 0.003343 0.005193 -0.002725 -0.012227 0.000123 293 H 21 X 0.000354 0.000677 0.000140 -0.002618 0.000125 294 H 21 Y -0.000744 -0.001101 0.000130 0.002687 0.000045 295 H 21 Z 0.001550 0.002239 -0.000848 -0.004890 -0.000064 296 C 22 S -0.000642 0.001614 -0.000243 0.003444 -0.001106 297 C 22 S 0.008424 -0.030825 0.000809 -0.060205 0.014956 298 C 22 S 0.009036 -0.013933 0.003224 -0.040270 0.016890 299 C 22 X -0.002007 -0.011204 0.012911 -0.057583 0.012003 300 C 22 Y -0.010354 0.028894 0.005294 0.066499 -0.020717 301 C 22 Z -0.000520 0.001987 -0.000649 0.006891 -0.001434 302 C 22 X -0.000680 -0.006638 0.000336 -0.019421 0.002697 303 C 22 Y -0.001360 0.012953 0.001805 0.026265 -0.005097 304 C 22 Z 0.000336 0.000410 0.000171 0.002154 0.000702 305 C 22 XX 0.000651 -0.001055 -0.000940 -0.000324 0.000427 306 C 22 YY -0.000749 0.002636 0.000335 0.005515 -0.001754 307 C 22 ZZ 0.000098 -0.001581 0.000606 -0.005191 0.001327 308 C 22 XY 0.000344 -0.002263 0.000217 -0.007483 0.001650 309 C 22 XZ -0.000031 -0.000178 0.000056 -0.000649 0.000126 310 C 22 YZ -0.000021 0.000350 -0.000043 0.001095 -0.000170 311 H 23 S 0.011165 -0.026662 -0.008990 -0.042187 0.014034 312 H 23 S 0.003288 -0.006257 -0.001500 -0.010754 0.004416 313 H 23 X 0.000878 -0.002505 -0.000326 -0.004506 0.001430 314 H 23 Y 0.000707 -0.001673 -0.000311 -0.002333 0.000830 315 H 23 Z -0.000007 0.000012 -0.000037 0.000065 -0.000050 316 H 24 S 0.004559 -0.023556 0.005191 -0.062392 0.015199 317 H 24 S 0.000880 -0.004644 0.001416 -0.015502 0.003784 318 H 24 X -0.000473 0.001547 0.000210 0.002977 -0.000761 319 H 24 Y -0.000134 0.000288 0.000107 0.000417 -0.000236 320 H 24 Z -0.000501 0.002320 -0.000583 0.006187 -0.001498 321 H 25 S 0.004689 -0.023414 0.005817 -0.063577 0.015167 322 H 25 S 0.001359 -0.005125 0.001731 -0.015570 0.004304 323 H 25 X -0.000442 0.001405 0.000214 0.002570 -0.000662 324 H 25 Y -0.000206 0.000542 0.000040 0.001134 -0.000440 325 H 25 Z 0.000500 -0.002383 0.000588 -0.006340 0.001470 326 C 26 S 0.001427 0.000974 0.000184 -0.000011 -0.000647 327 C 26 S -0.021611 -0.024471 0.010084 0.008243 0.004793 328 C 26 S -0.020481 -0.016393 -0.001986 0.005046 0.012596 329 C 26 X 0.012449 0.000553 -0.020902 -0.020711 0.000603 330 C 26 Y -0.001449 0.012106 0.007632 -0.022655 -0.001864 331 C 26 Z 0.019031 0.019978 -0.015248 0.001739 -0.008464 332 C 26 X -0.002163 0.002020 -0.000124 -0.001891 -0.000599 333 C 26 Y -0.001422 0.002127 0.000330 -0.002739 -0.000390 334 C 26 Z 0.002522 0.009597 -0.009768 -0.004711 0.000501 335 C 26 XX -0.000636 -0.001449 0.000432 0.000348 0.000453 336 C 26 YY -0.001406 -0.000958 0.001785 -0.000557 0.000333 337 C 26 ZZ 0.002042 0.002407 -0.002217 0.000209 -0.000786 338 C 26 XY 0.000520 -0.000096 -0.000136 0.000894 0.000061 339 C 26 XZ 0.001281 0.000102 -0.001258 -0.000937 -0.000090 340 C 26 YZ 0.000465 0.001721 0.000197 -0.001603 -0.000279 341 H 27 S -0.020895 -0.022612 0.016623 0.026042 0.004798 342 H 27 S -0.010195 -0.001950 0.006341 0.003649 0.000644 343 H 27 X -0.002062 -0.001961 0.000748 0.001589 0.000440 344 H 27 Y -0.002216 -0.001261 0.001691 0.001001 0.000328 345 H 27 Z -0.000025 -0.000239 -0.000047 0.000115 -0.000084 346 H 28 S -0.020409 -0.012734 0.017777 -0.007891 0.004548 347 H 28 S -0.003959 -0.002735 0.002305 -0.002389 0.001002 348 H 28 X 0.000131 -0.000195 -0.000422 -0.000870 0.000144 349 H 28 Y 0.002112 0.001400 -0.001564 0.000286 -0.000478 350 H 28 Z -0.000462 -0.000615 0.000264 0.000230 0.000004 351 H 29 S -0.007769 -0.020487 -0.006228 -0.005317 0.006155 352 H 29 S -0.000539 -0.004468 -0.003055 -0.004616 0.002837 353 H 29 X 0.001141 0.002228 0.000158 -0.000310 -0.000606 354 H 29 Y -0.000364 -0.000570 -0.000073 -0.000919 0.000249 355 H 29 Z -0.000157 -0.000375 -0.000107 0.000041 0.000130 356 C 30 S 0.000931 -0.001664 -0.001361 0.001486 -0.000105 357 C 30 S -0.013463 0.027382 0.023394 -0.020578 -0.003278 358 C 30 S -0.014235 0.023125 0.017746 -0.016960 0.006098 359 C 30 X 0.010431 0.003490 -0.007684 -0.024441 0.003101 360 C 30 Y 0.004893 0.015281 -0.007350 0.005658 -0.004200 361 C 30 Z -0.015772 0.024699 0.026064 -0.032772 -0.001873 362 C 30 X 0.002420 -0.003025 0.001372 -0.004801 -0.002571 363 C 30 Y -0.003317 0.002808 -0.002712 0.002673 0.001775 364 C 30 Z -0.006904 0.011326 0.008123 -0.007372 -0.003101 365 C 30 XX -0.001174 0.001979 0.000741 -0.001347 -0.000223 366 C 30 YY -0.001184 0.001065 0.002128 -0.002426 -0.000036 367 C 30 ZZ 0.002358 -0.003043 -0.002869 0.003772 0.000259 368 C 30 XY 0.000196 -0.000286 -0.000384 -0.000410 -0.000159 369 C 30 XZ -0.000572 -0.000680 0.000219 0.001624 -0.000036 370 C 30 YZ 0.000043 -0.001747 0.000297 0.000409 0.000349 371 H 31 S -0.015445 0.014410 0.026398 -0.028256 0.000485 372 H 31 S -0.003774 0.003682 0.004577 -0.006942 0.001604 373 H 31 X 0.000462 0.000039 -0.000416 -0.000615 0.000189 374 H 31 Y -0.001418 0.001737 0.002536 -0.002800 -0.000060 375 H 31 Z 0.000388 -0.000750 -0.000741 0.000563 -0.000046 376 H 32 S -0.016559 0.024144 0.020363 -0.001816 -0.005261 377 H 32 S 0.003266 -0.001958 0.007634 -0.004571 -0.005722 378 H 32 X -0.001094 0.002197 0.001743 -0.000908 -0.000643 379 H 32 Y 0.000901 -0.000567 -0.001609 0.000411 0.000211 380 H 32 Z -0.000266 -0.000095 -0.000252 0.000017 0.000178 381 H 33 S -0.001805 0.027208 0.010047 -0.031316 -0.001679 382 H 33 S -0.000446 0.007582 0.001176 -0.009802 0.000686 383 H 33 X 0.000363 -0.002591 -0.001306 0.002139 0.000354 384 H 33 Y 0.000354 -0.001443 -0.000939 0.002311 -0.000147 385 H 33 Z 0.000156 -0.000205 0.000069 -0.000005 -0.000070 386 H 34 S 0.015794 0.023119 -0.008788 -0.049875 -0.000987 387 H 34 S 0.002946 0.004151 -0.002673 -0.012580 0.000880 388 H 34 X 0.000509 0.000846 0.000023 -0.003043 0.000138 389 H 34 Y -0.000365 -0.000533 -0.000066 0.001586 0.000009 390 H 34 Z -0.001638 -0.002335 0.000880 0.005093 0.000085 391 F 35 S 0.001079 -0.000479 0.001440 0.000523 0.000275 392 F 35 S 0.034851 -0.017002 0.053781 0.005916 0.004709 393 F 35 S 0.056326 -0.026177 0.084410 0.005847 0.005975 394 F 35 X -0.177416 0.065548 -0.188313 -0.052212 -0.029680 395 F 35 Y -0.012978 -0.115486 -0.040497 0.026672 0.094111 396 F 35 Z -0.153901 -0.053427 0.194312 -0.054900 0.006956 397 F 35 X -0.114123 0.042392 -0.123778 -0.034410 -0.019166 398 F 35 Y -0.007807 -0.073090 -0.026243 0.017484 0.061465 399 F 35 Z -0.102642 -0.034041 0.125071 -0.036950 0.003977 400 F 35 XX -0.007612 0.002487 -0.006306 -0.002285 -0.001123 401 F 35 YY 0.002132 -0.002183 0.004962 0.000754 0.000787 402 F 35 ZZ 0.005480 -0.000304 0.001344 0.001530 0.000336 403 F 35 XY -0.000907 -0.004061 -0.002053 0.000641 0.002749 404 F 35 XZ -0.003936 -0.002454 0.007741 -0.001254 0.000423 405 F 35 YZ -0.000437 0.001449 0.001151 -0.000387 -0.000577 406 F 36 S -0.002262 0.000047 -0.000280 -0.000035 -0.000217 407 F 36 S -0.078507 0.002533 -0.008746 -0.010212 -0.004307 408 F 36 S -0.121519 0.005874 -0.020754 -0.018658 -0.005594 409 F 36 X 0.012422 -0.042235 0.231194 -0.035785 0.009674 410 F 36 Y -0.039058 -0.196100 -0.023880 0.001699 -0.013457 411 F 36 Z 0.293240 -0.021793 0.012906 0.050176 0.021177 412 F 36 X 0.010201 -0.027557 0.152416 -0.022968 0.006962 413 F 36 Y -0.025012 -0.128793 -0.015656 0.000785 -0.011629 414 F 36 Z 0.189768 -0.013726 0.005582 0.032108 0.013426 415 F 36 XX -0.005582 0.000043 0.000012 -0.000904 -0.000306 416 F 36 YY -0.005759 0.000916 0.000351 -0.000972 -0.000523 417 F 36 ZZ 0.011341 -0.000959 -0.000363 0.001875 0.000829 418 F 36 XY -0.000082 -0.000370 -0.000849 0.000014 -0.000440 419 F 36 XZ 0.001120 -0.001554 0.007716 -0.000915 0.000370 420 F 36 YZ -0.002193 -0.006516 -0.000600 0.000008 0.000056 421 C 37 S 0.000125 0.000919 -0.000535 0.003584 -0.000367 422 C 37 S -0.002636 -0.010924 0.002094 -0.070954 0.008364 423 C 37 S 0.016442 0.003459 0.009356 -0.063829 -0.001788 424 C 37 X -0.004016 -0.025398 -0.003033 -0.036954 0.011712 425 C 37 Y -0.055960 -0.050251 0.057662 0.085908 0.008463 426 C 37 Z -0.006178 -0.008863 0.005509 0.019794 0.000932 427 C 37 X -0.014850 -0.010940 -0.008014 0.001680 0.012037 428 C 37 Y -0.006775 -0.012630 -0.000706 0.026173 0.005575 429 C 37 Z -0.001432 -0.003577 0.000084 0.004861 -0.001117 430 C 37 XX 0.001379 0.002951 0.000065 -0.005266 -0.000588 431 C 37 YY -0.000427 -0.002279 -0.000177 0.003718 0.000270 432 C 37 ZZ -0.000952 -0.000672 0.000112 0.001548 0.000317 433 C 37 XY 0.004190 0.005014 -0.003153 -0.005927 -0.000930 434 C 37 XZ 0.000540 0.001598 -0.000227 -0.002310 -0.000101 435 C 37 YZ 0.000488 0.000609 -0.000489 -0.000949 -0.000016 436 S 38 S -0.000351 0.000078 -0.000046 -0.000081 0.000219 437 S 38 S -0.002269 0.000580 -0.000631 -0.000558 0.001460 438 S 38 S 0.039365 0.012204 -0.065230 0.000279 -0.006039 439 S 38 S 0.065397 0.005843 -0.064121 0.000965 -0.018254 440 S 38 X 0.000012 0.000001 -0.000224 -0.003546 0.000776 441 S 38 Y -0.000569 0.000315 0.000917 -0.002421 0.000293 442 S 38 Z -0.000044 -0.000100 0.000128 -0.000271 0.000098 443 S 38 X -0.008346 -0.002527 -0.002659 0.090426 -0.009271 444 S 38 Y 0.007168 -0.004896 -0.030604 0.072835 -0.010037 445 S 38 Z 0.000612 0.000916 -0.004857 0.006618 0.002882 446 S 38 X 0.000677 -0.004185 0.010557 0.034014 -0.013218 447 S 38 Y -0.002445 0.000496 -0.015338 0.023427 -0.002472 448 S 38 Z 0.000711 0.004315 -0.001306 0.003680 0.001689 449 S 38 XX 0.000453 -0.002751 -0.004475 0.029099 -0.004511 450 S 38 YY -0.000348 0.002907 0.006597 -0.028857 0.004019 451 S 38 ZZ -0.000106 -0.000156 -0.002123 -0.000242 0.000492 452 S 38 XY 0.001399 -0.001443 -0.000819 -0.006098 0.000861 453 S 38 XZ 0.000183 -0.000352 -0.000113 0.001094 -0.000161 454 S 38 YZ 0.000360 -0.000322 0.001468 -0.001434 -0.000504 455 S 38 XX -0.000081 -0.000570 -0.000966 0.005187 -0.000521 456 S 38 YY -0.000043 0.000588 0.001233 -0.005205 0.000568 457 S 38 ZZ 0.000124 -0.000018 -0.000267 0.000018 -0.000047 458 S 38 XY 0.000209 -0.000401 -0.000210 -0.001088 0.000185 459 S 38 XZ 0.000022 -0.000051 -0.000040 0.000230 -0.000018 460 S 38 YZ 0.000022 0.000078 0.000245 -0.000228 -0.000030 461 H 39 S 0.005267 -0.015927 -0.009604 -0.085486 0.011989 462 H 39 S 0.004937 -0.001976 -0.001050 -0.024218 0.000371 463 H 39 X -0.000225 0.001488 0.001138 0.008280 -0.001333 464 H 39 Y -0.001242 -0.001713 0.001251 0.000392 0.000325 465 H 39 Z 0.000034 -0.000303 -0.000044 0.000294 0.000079 61 62 63 64 65 -0.7534 -0.7524 -0.7343 -0.7264 -0.7074 A A A A A 1 C 1 S 0.000225 0.002386 0.000474 0.002701 -0.001301 2 C 1 S 0.013455 -0.074253 -0.024052 -0.145706 0.037408 3 C 1 S 0.011015 -0.078645 -0.034105 -0.162034 0.047424 4 C 1 X -0.027062 -0.056828 -0.052552 0.013380 0.013064 5 C 1 Y -0.018924 -0.013814 -0.037515 -0.004083 -0.023728 6 C 1 Z 0.000437 0.004786 0.001093 -0.003393 -0.003278 7 C 1 X -0.012654 -0.024119 -0.032716 0.000339 -0.001096 8 C 1 Y -0.013939 -0.026600 -0.024244 -0.020429 -0.011492 9 C 1 Z 0.000762 0.001966 -0.000358 -0.002586 0.000868 10 C 1 XX 0.001197 -0.000330 0.002069 0.000090 0.001097 11 C 1 YY -0.001722 -0.001740 -0.003473 -0.003704 -0.000090 12 C 1 ZZ 0.000525 0.002071 0.001404 0.003613 -0.001006 13 C 1 XY 0.000511 -0.003978 0.000417 0.005749 0.002204 14 C 1 XZ 0.000085 0.000105 0.000230 0.001329 -0.000152 15 C 1 YZ -0.000175 0.000306 -0.000376 -0.000967 -0.000257 16 C 2 S -0.000703 -0.001479 -0.002887 -0.006462 -0.000401 17 C 2 S 0.014453 0.043701 0.046615 0.108409 -0.017657 18 C 2 S -0.003519 0.035024 0.050429 0.120018 0.000786 19 C 2 X 0.010535 -0.020077 -0.021134 -0.192519 0.005366 20 C 2 Y -0.047061 -0.006195 -0.086535 -0.053994 -0.048800 21 C 2 Z -0.006531 0.002075 -0.006025 0.001302 -0.004636 22 C 2 X -0.006807 -0.006175 -0.003479 -0.029529 -0.005184 23 C 2 Y -0.026453 0.007366 -0.016858 -0.008075 0.008595 24 C 2 Z -0.002803 -0.002692 0.000945 0.002061 -0.001411 25 C 2 XX 0.003835 -0.004091 0.003280 -0.006142 0.002480 26 C 2 YY -0.003771 0.005568 -0.003564 0.006591 -0.002754 27 C 2 ZZ -0.000063 -0.001476 0.000284 -0.000449 0.000274 28 C 2 XY -0.000704 0.005420 -0.000114 0.004515 -0.001150 29 C 2 XZ 0.000036 0.000632 -0.000133 0.000928 0.000056 30 C 2 YZ -0.001190 0.000552 -0.000499 -0.000514 -0.000700 31 C 3 S 0.003171 0.002979 0.000423 0.000627 0.000601 32 C 3 S -0.030083 -0.058651 -0.043030 -0.039267 -0.006325 33 C 3 S -0.097269 -0.092595 -0.017022 0.014290 -0.004914 34 C 3 X -0.024506 0.127727 -0.047707 -0.074715 -0.048927 35 C 3 Y 0.017036 -0.054642 0.020266 -0.106337 0.048081 36 C 3 Z -0.015425 0.007328 -0.009204 -0.026319 -0.006783 37 C 3 X 0.055294 0.036663 -0.029088 -0.096521 -0.027828 38 C 3 Y -0.034782 -0.036069 0.021864 -0.047169 0.048950 39 C 3 Z -0.000986 0.001677 -0.003318 -0.014028 0.001142 40 C 3 XX -0.001333 -0.000826 -0.001498 -0.010245 0.003527 41 C 3 YY -0.000288 -0.000920 0.002053 0.009843 -0.003773 42 C 3 ZZ 0.001621 0.001746 -0.000555 0.000402 0.000246 43 C 3 XY 0.000678 0.014763 -0.004617 -0.003693 0.000795 44 C 3 XZ 0.001234 0.001368 -0.000918 -0.001773 0.000514 45 C 3 YZ -0.001158 0.001101 -0.001090 -0.001919 -0.000541 46 C 4 S -0.000099 -0.004667 -0.000448 -0.000072 -0.000063 47 C 4 S 0.021895 0.104352 0.023280 -0.040850 0.010438 48 C 4 S 0.009203 0.140523 0.029122 -0.009663 -0.001287 49 C 4 X 0.028152 0.027299 0.068312 0.106508 -0.007249 50 C 4 Y 0.038664 -0.030479 0.038429 0.057456 0.039551 51 C 4 Z -0.013368 -0.002755 -0.011103 -0.020084 -0.010109 52 C 4 X 0.008442 0.022728 0.041493 0.053942 -0.004986 53 C 4 Y 0.037206 -0.030150 0.023194 0.012738 0.024986 54 C 4 Z -0.004069 -0.015068 -0.007593 -0.022275 -0.003291 55 C 4 XX -0.000591 0.000238 0.000710 -0.001507 -0.000521 56 C 4 YY -0.000843 0.000688 -0.002344 0.000373 -0.000909 57 C 4 ZZ 0.001434 -0.000926 0.001633 0.001134 0.001431 58 C 4 XY -0.001977 -0.003330 -0.002257 -0.010348 -0.001157 59 C 4 XZ -0.000430 -0.001178 -0.002783 -0.002798 0.000673 60 C 4 YZ -0.002306 0.001475 -0.001731 -0.002712 -0.002055 61 S 5 S 0.000045 0.000057 -0.000168 -0.000811 -0.000065 62 S 5 S 0.000341 0.000201 -0.000958 -0.004495 -0.000475 63 S 5 S -0.011091 -0.027121 0.010725 0.144660 -0.006450 64 S 5 S -0.004678 -0.035622 0.025146 0.195810 0.000048 65 S 5 X -0.000363 0.001256 -0.000498 -0.001644 -0.000414 66 S 5 Y -0.000686 -0.003599 -0.002524 -0.002772 0.000524 67 S 5 Z 0.000103 -0.000523 -0.000125 -0.000048 0.000253 68 S 5 X -0.001628 -0.027985 0.009548 0.055283 0.005300 69 S 5 Y 0.022188 0.083962 0.070338 0.075478 -0.014541 70 S 5 Z -0.000843 0.015244 0.000090 0.000176 -0.006432 71 S 5 X -0.003643 -0.011301 0.004202 0.031318 -0.000681 72 S 5 Y 0.006868 0.030451 0.022113 0.026790 -0.007753 73 S 5 Z 0.000263 0.004412 -0.000724 -0.001812 -0.003495 74 S 5 XX -0.000227 0.009766 0.000452 -0.003795 -0.003120 75 S 5 YY 0.000034 -0.010137 -0.003154 -0.003767 0.003787 76 S 5 ZZ 0.000193 0.000371 0.002702 0.007562 -0.000667 77 S 5 XY -0.005064 -0.022529 -0.015090 -0.018472 0.002969 78 S 5 XZ -0.000604 -0.005355 -0.001556 0.000216 0.001551 79 S 5 YZ 0.000973 0.003857 0.002195 0.002293 -0.000489 80 S 5 XX -0.000100 0.001771 -0.000012 -0.000492 -0.000643 81 S 5 YY 0.000069 -0.001863 -0.000450 -0.000835 0.000725 82 S 5 ZZ 0.000030 0.000092 0.000462 0.001327 -0.000081 83 S 5 XY -0.000921 -0.004157 -0.002852 -0.003301 0.000542 84 S 5 XZ 0.000020 -0.000951 -0.000192 -0.000011 0.000301 85 S 5 YZ 0.000095 0.000679 0.000343 0.000410 -0.000123 86 H 6 S 0.028231 0.042222 0.087640 0.199318 0.016319 87 H 6 S -0.005996 0.016868 0.021766 0.059481 0.020409 88 H 6 X 0.002516 0.001320 0.006899 0.010488 0.001155 89 H 6 Y 0.001186 0.003293 0.005162 0.014580 0.000680 90 H 6 Z -0.000036 0.000094 0.000159 0.000567 -0.000422 91 C 7 S 0.003461 -0.002596 0.000384 0.001330 0.000824 92 C 7 S -0.042530 0.058825 -0.042660 -0.015005 -0.002995 93 C 7 S -0.101993 0.078455 0.010751 -0.061159 -0.017939 94 C 7 X -0.029925 -0.108842 -0.126189 0.044901 -0.019068 95 C 7 Y 0.006301 -0.043624 0.036614 -0.087970 -0.014049 96 C 7 Z 0.001395 0.020406 0.035753 -0.014947 0.004708 97 C 7 X 0.029914 -0.052592 -0.069413 0.041682 0.006031 98 C 7 Y 0.024865 -0.031873 -0.004638 -0.036518 -0.003752 99 C 7 Z -0.008105 0.011333 0.021106 -0.008973 0.000719 100 C 7 XX -0.002008 -0.001766 -0.009848 0.005115 0.001049 101 C 7 YY 0.000383 0.002946 0.009186 -0.005681 -0.001427 102 C 7 ZZ 0.001625 -0.001180 0.000662 0.000566 0.000379 103 C 7 XY -0.001267 0.006298 0.007284 0.000628 -0.002173 104 C 7 XZ 0.002980 0.000830 0.003333 -0.000457 0.000228 105 C 7 YZ 0.000432 -0.001326 -0.002689 0.001104 0.000071 106 C 8 S 0.001065 -0.002159 0.002288 -0.001493 -0.000891 107 C 8 S -0.009762 0.079847 -0.101688 0.109170 0.024812 108 C 8 S -0.021286 0.079631 -0.111778 0.104095 0.027639 109 C 8 X -0.018402 0.049873 -0.002398 -0.050549 0.013767 110 C 8 Y 0.023273 -0.016958 0.030034 0.045725 0.009440 111 C 8 Z 0.003282 0.004034 0.006344 0.006099 0.005399 112 C 8 X 0.000387 0.015613 0.024767 -0.047243 -0.007018 113 C 8 Y 0.023864 -0.023912 0.015381 0.028588 0.008196 114 C 8 Z 0.003777 0.000075 0.004333 0.003420 0.001970 115 C 8 XX 0.001486 0.000119 0.002485 0.002805 0.000270 116 C 8 YY -0.002023 0.001438 -0.005547 0.001104 0.000277 117 C 8 ZZ 0.000537 -0.001557 0.003062 -0.003909 -0.000547 118 C 8 XY -0.001255 -0.003423 -0.005325 0.002560 -0.000548 119 C 8 XZ -0.000007 -0.000471 -0.001105 0.001144 -0.000023 120 C 8 YZ -0.000506 -0.000249 -0.001470 0.000272 -0.000237 121 C 9 S 0.000494 0.002550 0.002231 -0.000413 0.000130 122 C 9 S 0.011367 -0.076104 -0.040676 0.051797 0.002260 123 C 9 S -0.008067 -0.080703 -0.057943 0.039485 -0.006302 124 C 9 X 0.048874 -0.030792 0.136193 -0.044548 -0.007375 125 C 9 Y -0.038520 -0.082434 -0.061179 -0.008569 -0.040559 126 C 9 Z 0.009652 0.010916 0.012242 0.003978 0.012629 127 C 9 X 0.027321 -0.023164 0.083467 -0.031427 -0.000742 128 C 9 Y -0.031165 -0.032647 -0.025408 -0.006623 -0.024418 129 C 9 Z -0.002859 0.003961 -0.001813 0.004378 0.005251 130 C 9 XX -0.002063 -0.003254 -0.000032 -0.000285 -0.001739 131 C 9 YY 0.000890 0.001305 -0.001418 -0.000860 0.000465 132 C 9 ZZ 0.001172 0.001949 0.001450 0.001145 0.001274 133 C 9 XY 0.003227 -0.004152 0.008413 -0.007166 -0.000158 134 C 9 XZ 0.002671 -0.000965 0.005023 -0.000710 0.000347 135 C 9 YZ -0.002932 -0.004063 -0.003448 0.000123 -0.002356 136 C 10 S -0.000416 0.001071 -0.002247 -0.002249 -0.000688 137 C 10 S 0.027474 0.029848 0.057871 0.033861 -0.022444 138 C 10 S 0.085463 -0.016336 0.037808 0.037457 0.009025 139 C 10 X -0.023347 0.103076 0.069222 0.004849 0.013057 140 C 10 Y -0.014749 0.070884 -0.056105 -0.047529 0.042275 141 C 10 Z -0.022601 -0.019916 -0.007443 -0.010001 -0.005074 142 C 10 X 0.024898 0.001380 -0.004755 0.025424 0.003467 143 C 10 Y 0.042279 0.024496 -0.053883 0.008296 0.021437 144 C 10 Z -0.022766 -0.004335 -0.002748 -0.004474 -0.008523 145 C 10 XX -0.000688 -0.003757 -0.011587 0.002532 0.001840 146 C 10 YY 0.002551 0.003254 0.013508 -0.001289 -0.003096 147 C 10 ZZ -0.001864 0.000502 -0.001920 -0.001244 0.001256 148 C 10 XY -0.001343 0.013380 0.003072 -0.002057 -0.001241 149 C 10 XZ 0.003422 -0.000034 0.001712 -0.000280 -0.000687 150 C 10 YZ -0.000584 -0.000651 0.000986 0.001093 0.000843 151 C 11 S -0.001694 0.001512 -0.001513 0.001753 -0.000036 152 C 11 S 0.029216 -0.056188 0.050485 0.013814 -0.000027 153 C 11 S 0.117598 -0.035653 0.017019 -0.026923 -0.004275 154 C 11 X -0.005449 -0.160291 0.034375 0.003811 0.041363 155 C 11 Y 0.013088 -0.006461 0.077733 0.039602 -0.049703 156 C 11 Z -0.033441 -0.008364 -0.001829 -0.012961 -0.006275 157 C 11 X 0.065647 -0.015287 0.000925 -0.045479 -0.024903 158 C 11 Y -0.024394 0.007597 0.034917 0.061398 -0.021953 159 C 11 Z -0.019384 0.001401 -0.003174 -0.006120 -0.009308 160 C 11 XX -0.001264 0.005338 -0.006388 -0.009387 0.002391 161 C 11 YY 0.002192 -0.005743 0.007491 0.009407 -0.003235 162 C 11 ZZ -0.000928 0.000405 -0.001103 -0.000020 0.000844 163 C 11 XY -0.001281 0.015274 -0.000332 -0.004362 0.001508 164 C 11 XZ 0.005474 -0.000146 -0.000666 -0.001507 -0.000182 165 C 11 YZ 0.001931 -0.000426 -0.000844 -0.000138 -0.001061 166 C 12 S -0.000120 -0.000202 0.001051 0.000488 0.001782 167 C 12 S -0.001125 -0.035970 -0.030490 0.002597 -0.021960 168 C 12 S -0.004963 -0.050956 -0.052209 0.002406 -0.070611 169 C 12 X 0.023390 -0.069113 -0.082408 -0.001891 0.033944 170 C 12 Y 0.047268 0.051438 0.011280 0.002077 0.013855 171 C 12 Z -0.124193 0.011658 0.013221 -0.006264 0.029724 172 C 12 X -0.000974 -0.039695 -0.045911 0.001082 0.017133 173 C 12 Y -0.004003 0.016703 0.027843 0.004756 0.056107 174 C 12 Z -0.000831 0.014408 0.004933 -0.006419 0.017510 175 C 12 XX 0.005617 0.003278 0.006168 0.001425 -0.005974 176 C 12 YY 0.010789 0.004060 0.001365 0.000093 0.010794 177 C 12 ZZ -0.016406 -0.007337 -0.007534 -0.001518 -0.004821 178 C 12 XY 0.000037 -0.003244 -0.011489 -0.006932 0.012718 179 C 12 XZ 0.003554 -0.003949 -0.005218 0.000908 -0.005624 180 C 12 YZ -0.017803 0.005220 0.011288 0.000511 0.015808 181 C 13 S -0.004564 0.000561 -0.000559 -0.000664 0.001131 182 C 13 S -0.013248 0.003943 -0.002002 -0.002184 0.064102 183 C 13 S 0.016989 -0.008514 0.020097 0.012025 0.106226 184 C 13 X -0.125516 -0.016804 0.032678 0.002594 0.005002 185 C 13 Y -0.019457 -0.005220 0.008846 -0.019330 0.004872 186 C 13 Z 0.165004 0.010888 -0.034802 -0.004012 -0.000437 187 C 13 X 0.010183 -0.005013 0.008112 0.003908 0.079860 188 C 13 Y 0.001410 0.003111 0.001156 -0.011161 0.004439 189 C 13 Z 0.003841 0.000470 0.006822 0.005110 0.047316 190 C 13 XX 0.028426 0.005856 -0.010741 -0.001313 -0.007085 191 C 13 YY 0.002895 -0.004370 0.002871 0.001372 -0.008999 192 C 13 ZZ -0.031320 -0.001486 0.007871 -0.000059 0.016084 193 C 13 XY 0.003455 -0.009141 -0.003219 0.005716 0.003522 194 C 13 XZ -0.019690 -0.000591 -0.000532 -0.000317 -0.036146 195 C 13 YZ 0.003460 0.002354 -0.000472 -0.000439 -0.006308 196 C 14 S -0.001358 -0.001161 0.001080 0.000457 0.002037 197 C 14 S -0.007815 0.045685 -0.015098 -0.021624 -0.024104 198 C 14 S 0.008303 0.085528 -0.028557 -0.036659 -0.088788 199 C 14 X 0.031236 0.127122 -0.058029 -0.035591 0.027343 200 C 14 Y -0.039714 0.085923 -0.008959 -0.009051 -0.018775 201 C 14 Z -0.168171 0.017647 0.017454 0.001235 0.022709 202 C 14 X 0.004796 0.069197 -0.023462 -0.019596 0.011950 203 C 14 Y -0.000593 0.041544 -0.021708 -0.027100 -0.056792 204 C 14 Z -0.006485 -0.005188 -0.003059 -0.001106 0.006502 205 C 14 XX 0.004538 -0.000948 0.001043 0.003316 -0.000485 206 C 14 YY 0.006984 -0.010834 0.004574 0.006401 0.012282 207 C 14 ZZ -0.011522 0.011781 -0.005617 -0.009717 -0.011797 208 C 14 XY -0.000962 -0.011868 0.010963 0.004455 -0.011428 209 C 14 XZ 0.002282 -0.000216 -0.000877 -0.002287 -0.005103 210 C 14 YZ 0.027604 0.002449 -0.007522 -0.005221 -0.011039 211 F 15 S 0.000715 0.000373 0.000305 -0.000064 -0.000287 212 F 15 S 0.032642 -0.001645 -0.001782 0.002030 -0.003186 213 F 15 S 0.053770 -0.006219 -0.004826 0.005971 -0.002846 214 F 15 X -0.081543 -0.104785 -0.158863 -0.010053 0.043795 215 F 15 Y 0.020992 0.076099 0.085701 0.022102 0.130375 216 F 15 Z 0.155804 -0.037338 -0.058299 0.003665 -0.004160 217 F 15 X -0.054462 -0.068896 -0.104918 -0.006296 0.028249 218 F 15 Y 0.013070 0.049551 0.057212 0.015350 0.085025 219 F 15 Z 0.099040 -0.024093 -0.038285 0.001762 -0.003428 220 F 15 XX 0.002164 -0.001372 -0.001925 -0.000003 0.000673 221 F 15 YY 0.002669 -0.000298 -0.000483 -0.000032 -0.000353 222 F 15 ZZ -0.004833 0.001670 0.002408 0.000036 -0.000320 223 F 15 XY 0.000947 0.000880 0.000819 0.000009 0.001112 224 F 15 XZ 0.003480 0.002730 0.003901 0.000264 -0.001300 225 F 15 YZ -0.001644 -0.002088 -0.001760 -0.000535 -0.002762 226 F 16 S -0.001105 -0.000017 0.000761 0.000341 0.000841 227 F 16 S -0.025847 -0.006755 -0.000847 0.001614 0.006012 228 F 16 S -0.039174 -0.011375 -0.008881 -0.001998 0.002799 229 F 16 X 0.106013 -0.075344 -0.166764 -0.060293 0.191568 230 F 16 Y -0.144335 -0.004002 0.013637 -0.024143 0.190791 231 F 16 Z -0.032426 0.110698 0.105742 0.010997 0.126089 232 F 16 X 0.070756 -0.049176 -0.110411 -0.041105 0.130397 233 F 16 Y -0.094319 -0.003094 0.009078 -0.015081 0.126927 234 F 16 Z -0.025335 0.073283 0.069690 0.007195 0.083424 235 F 16 XX -0.000749 -0.001578 -0.001893 -0.000930 0.002875 236 F 16 YY 0.004136 -0.000217 -0.000252 0.000795 -0.006170 237 F 16 ZZ -0.003387 0.001795 0.002145 0.000134 0.003295 238 F 16 XY -0.003935 0.001805 0.004062 0.000807 -0.002484 239 F 16 XZ 0.000973 -0.000316 -0.001542 -0.000575 0.002806 240 F 16 YZ -0.000920 -0.002820 -0.001999 -0.000478 0.000018 241 F 17 S -0.001092 0.000038 0.000668 0.000575 0.000781 242 F 17 S -0.036074 0.012369 0.002831 -0.001503 0.005173 243 F 17 S -0.059672 0.021740 -0.001167 -0.008365 0.002127 244 F 17 X 0.085570 0.194441 -0.132122 -0.046614 0.174953 245 F 17 Y 0.203880 0.008945 -0.051350 -0.064612 -0.171953 246 F 17 Z 0.043591 -0.149945 0.050604 0.061978 0.100395 247 F 17 X 0.057090 0.126916 -0.088095 -0.030190 0.119121 248 F 17 Y 0.134213 0.004854 -0.034244 -0.043058 -0.113818 249 F 17 Z 0.023744 -0.098587 0.033565 0.041036 0.067094 250 F 17 XX -0.002720 0.002284 -0.000332 0.000193 0.001444 251 F 17 YY 0.005038 0.001137 -0.001355 -0.001832 -0.004692 252 F 17 ZZ -0.002318 -0.003421 0.001688 0.001639 0.003248 253 F 17 XY 0.002825 0.004118 -0.002868 -0.001375 0.002604 254 F 17 XZ 0.001621 0.003312 -0.002254 -0.000786 0.002876 255 F 17 YZ 0.004736 -0.003187 -0.000029 -0.000116 -0.001316 256 F 18 S 0.001052 -0.000464 0.000060 0.000188 -0.000288 257 F 18 S 0.041161 0.002609 -0.004824 -0.000242 -0.002781 258 F 18 S 0.067261 0.007872 -0.008842 -0.001632 -0.001557 259 F 18 X -0.109311 0.169156 -0.087377 -0.085183 0.036517 260 F 18 Y -0.114977 0.119774 -0.046636 -0.068167 -0.116836 261 F 18 Z 0.161417 0.104892 -0.076618 -0.043546 -0.028572 262 F 18 X -0.073578 0.110664 -0.057500 -0.056868 0.022754 263 F 18 Y -0.075103 0.078353 -0.031088 -0.044703 -0.076035 264 F 18 Z 0.103046 0.068752 -0.050289 -0.028593 -0.019953 265 F 18 XX 0.002521 0.002515 -0.001633 -0.000804 0.000817 266 F 18 YY 0.001098 0.002123 -0.001018 -0.000756 -0.001400 267 F 18 ZZ -0.003619 -0.004638 0.002651 0.001560 0.000583 268 F 18 XY -0.002546 0.002586 -0.000946 -0.001300 -0.000846 269 F 18 XZ 0.004049 -0.003874 0.001710 0.001840 -0.001181 270 F 18 YZ 0.005290 -0.002108 0.000162 0.001115 0.002219 271 C 19 S 0.000592 0.002222 -0.000536 0.002028 0.000652 272 C 19 S -0.000997 -0.033864 0.018349 -0.031673 -0.009501 273 C 19 S -0.011533 -0.022664 0.004485 -0.024311 -0.008786 274 C 19 X -0.008203 -0.018175 0.027293 -0.074175 -0.013411 275 C 19 Y 0.004097 -0.064897 0.042080 -0.052777 -0.026579 276 C 19 Z 0.000474 -0.006940 0.006789 -0.007943 -0.002019 277 C 19 X 0.000147 -0.010123 0.007237 -0.019029 -0.004186 278 C 19 Y 0.004874 -0.024015 0.018637 -0.021549 -0.011279 279 C 19 Z 0.000583 -0.002846 0.002351 -0.002653 -0.000559 280 C 19 XX 0.000444 -0.000736 0.001883 -0.001265 -0.000511 281 C 19 YY -0.000686 0.004775 -0.003817 0.003710 0.002030 282 C 19 ZZ 0.000242 -0.004039 0.001935 -0.002444 -0.001518 283 C 19 XY 0.000389 0.004851 -0.003604 0.007427 0.002074 284 C 19 XZ 0.000029 0.000611 -0.000500 0.000840 0.000153 285 C 19 YZ -0.000121 0.001304 -0.001007 0.001116 0.000499 286 H 20 S -0.006984 -0.023344 0.027160 -0.068562 -0.011913 287 H 20 S -0.001917 -0.005830 0.010433 -0.022484 -0.003896 288 H 20 X 0.000607 0.002392 -0.001925 0.005199 0.000851 289 H 20 Y -0.000218 -0.002003 0.001301 -0.002883 -0.000924 290 H 20 Z 0.000014 -0.000073 0.000089 -0.000049 -0.000033 291 H 21 S 0.002082 -0.044166 0.023646 -0.030036 -0.015957 292 H 21 S 0.000187 -0.011234 0.006983 -0.009409 -0.003763 293 H 21 X -0.000238 -0.001211 0.001042 -0.002580 -0.000577 294 H 21 Y 0.000005 0.001457 -0.000961 0.001454 0.000515 295 H 21 Z 0.000212 -0.004131 0.002392 -0.002914 -0.001381 296 C 22 S 0.000821 -0.002200 -0.000083 -0.001866 0.001129 297 C 22 S -0.006581 0.035880 0.003308 0.033954 -0.016389 298 C 22 S -0.011610 0.023007 0.001275 0.022753 -0.016590 299 C 22 X -0.016859 0.008866 -0.021692 0.035920 -0.023074 300 C 22 Y 0.005313 -0.066656 -0.021591 -0.084558 0.041368 301 C 22 Z 0.000942 -0.002849 -0.000209 -0.007807 0.002475 302 C 22 X -0.003102 0.007714 -0.004352 0.015376 -0.008227 303 C 22 Y 0.001804 -0.024227 -0.004352 -0.028137 0.014321 304 C 22 Z 0.000277 -0.001308 0.000464 -0.002516 0.000353 305 C 22 XX 0.000398 0.002750 0.001683 0.001616 -0.000943 306 C 22 YY 0.000776 -0.005108 -0.000771 -0.005413 0.003539 307 C 22 ZZ -0.001173 0.002359 -0.000912 0.003797 -0.002596 308 C 22 XY -0.001124 0.004229 0.000499 0.007361 -0.002938 309 C 22 XZ -0.000150 0.000316 -0.000084 0.000471 -0.000275 310 C 22 YZ 0.000177 -0.000599 0.000055 -0.000986 0.000413 311 H 23 S 0.001852 0.053633 0.026211 0.052492 -0.021383 312 H 23 S 0.001913 0.013688 0.008613 0.017702 -0.007342 313 H 23 X -0.000262 0.004349 0.001310 0.004278 -0.002329 314 H 23 Y 0.000181 0.002646 0.001316 0.002194 -0.000870 315 H 23 Z 0.000017 0.000057 0.000027 -0.000069 0.000028 316 H 24 S -0.011641 0.030347 -0.005764 0.041547 -0.024060 317 H 24 S -0.003388 0.007713 -0.001267 0.013082 -0.007203 318 H 24 X 0.000240 -0.002243 -0.000536 -0.002251 0.001031 319 H 24 Y -0.000065 -0.001072 -0.000520 -0.001156 0.000614 320 H 24 Z 0.001089 -0.002858 0.000442 -0.004204 0.002154 321 H 25 S -0.011507 0.028632 -0.005841 0.044010 -0.022996 322 H 25 S -0.002654 0.007598 -0.000653 0.013742 -0.006660 323 H 25 X 0.000129 -0.001989 -0.000570 -0.002031 0.000799 324 H 25 Y 0.000071 -0.001343 -0.000493 -0.001672 0.000878 325 H 25 Z -0.001083 0.002846 -0.000474 0.004269 -0.002065 326 C 26 S 0.000632 -0.001285 -0.000796 0.000733 0.000062 327 C 26 S -0.004124 0.030110 0.008897 -0.016412 0.001465 328 C 26 S -0.008864 0.025595 0.008579 -0.012758 -0.001864 329 C 26 X 0.013664 -0.007989 0.049785 -0.012544 -0.004922 330 C 26 Y -0.011650 -0.030245 -0.026884 -0.001990 -0.016305 331 C 26 Z 0.006416 -0.038852 -0.022081 0.030760 0.000155 332 C 26 X 0.003572 0.002393 0.005311 -0.001082 0.000158 333 C 26 Y -0.000042 -0.002394 -0.008000 -0.003910 -0.000897 334 C 26 Z -0.000563 -0.014012 -0.004609 0.012072 0.001870 335 C 26 XX 0.000677 0.002759 0.003122 -0.001443 0.000359 336 C 26 YY -0.001168 0.001209 -0.000690 -0.001596 -0.000639 337 C 26 ZZ 0.000491 -0.003968 -0.002432 0.003038 0.000280 338 C 26 XY 0.000071 0.000195 -0.000270 0.000549 0.000250 339 C 26 XZ 0.000851 -0.000650 0.002333 -0.000285 -0.000224 340 C 26 YZ -0.000253 -0.003142 -0.001843 0.001073 -0.000648 341 H 27 S -0.004355 0.041418 -0.003567 -0.008041 0.011770 342 H 27 S 0.000084 0.015193 -0.005843 -0.003581 0.009791 343 H 27 X 0.000183 0.003622 0.001140 -0.001339 0.001276 344 H 27 Y -0.000825 0.002237 -0.001373 -0.000945 0.000675 345 H 27 Z 0.000046 0.000273 -0.000421 0.000128 0.000203 346 H 28 S -0.014102 0.012778 -0.011258 -0.020030 -0.009675 347 H 28 S -0.003812 0.001493 0.002885 -0.005135 -0.002461 348 H 28 X 0.000071 -0.000277 0.001352 -0.000759 -0.000362 349 H 28 Y 0.000970 -0.001787 0.000335 0.001741 0.000357 350 H 28 Z -0.000302 0.000266 -0.000355 -0.000392 -0.000307 351 H 29 S 0.007798 0.029638 0.052508 -0.022979 0.001868 352 H 29 S 0.001305 0.005454 0.017744 -0.004074 0.000554 353 H 29 X -0.000366 -0.003328 -0.003756 0.002033 -0.000464 354 H 29 Y -0.000262 0.000212 0.001520 -0.001092 -0.000523 355 H 29 Z 0.000006 0.000373 0.000468 0.000378 -0.000101 356 C 30 S 0.000149 0.001742 0.000494 -0.002023 -0.000034 357 C 30 S -0.004019 -0.039056 -0.012587 0.011646 -0.000344 358 C 30 S -0.007597 -0.029177 -0.009325 0.025497 -0.001197 359 C 30 X 0.012273 0.009006 0.028580 0.037427 -0.003845 360 C 30 Y 0.010076 -0.021482 0.014348 0.021814 0.014981 361 C 30 Z -0.011295 -0.059099 -0.019980 0.022580 -0.006015 362 C 30 X 0.004597 -0.004685 0.003075 0.007095 0.000199 363 C 30 Y -0.002797 -0.001887 0.005785 0.003334 0.002592 364 C 30 Z -0.005874 -0.023087 -0.006419 0.002446 -0.002852 365 C 30 XX -0.000300 -0.003721 -0.000077 0.001674 0.000040 366 C 30 YY -0.001238 -0.002806 -0.001447 0.000437 -0.000887 367 C 30 ZZ 0.001538 0.006527 0.001523 -0.002112 0.000847 368 C 30 XY 0.000392 0.000395 0.000547 0.000599 -0.000157 369 C 30 XZ -0.000629 0.000273 -0.001543 -0.002626 -0.000106 370 C 30 YZ 0.000129 0.002451 -0.000055 -0.001928 -0.000374 371 H 31 S -0.012631 -0.029924 -0.023417 0.003183 -0.012953 372 H 31 S -0.004368 -0.005233 -0.003221 0.004103 -0.003283 373 H 31 X 0.000539 0.000848 0.001061 0.001208 -0.000084 374 H 31 Y -0.000682 -0.003252 -0.001852 0.000836 -0.000859 375 H 31 Z 0.000347 0.000705 0.000357 -0.000183 0.000279 376 H 32 S -0.010010 -0.048426 -0.023457 -0.001284 0.006243 377 H 32 S 0.005200 -0.015950 -0.013610 -0.002653 0.003294 378 H 32 X -0.000105 -0.004374 -0.001851 0.000805 0.000548 379 H 32 Y 0.000732 0.001999 0.002040 0.000772 0.000128 380 H 32 Z -0.000139 0.000243 0.000468 0.000343 -0.000225 381 H 33 S 0.007528 -0.036105 0.014817 0.041911 0.002602 382 H 33 S 0.002632 -0.006677 0.006696 0.012257 0.000771 383 H 33 X -0.000471 0.003809 -0.000306 -0.002753 -0.000529 384 H 33 Y -0.000054 0.001537 -0.000673 -0.002007 0.000276 385 H 33 Z -0.000041 -0.000310 -0.000388 -0.000123 -0.000097 386 H 34 S 0.002491 -0.042940 0.024767 -0.028736 -0.014150 387 H 34 S 0.000258 -0.011095 0.007586 -0.009628 -0.003615 388 H 34 X -0.000202 -0.001530 0.001322 -0.002783 -0.000656 389 H 34 Y 0.000042 0.000501 -0.000502 0.000806 0.000142 390 H 34 Z -0.000242 0.004173 -0.002528 0.002886 0.001314 391 F 35 S -0.002146 -0.000209 0.000321 0.000082 -0.001971 392 F 35 S -0.046898 -0.004894 0.007930 -0.000179 -0.007634 393 F 35 S -0.071575 -0.007479 0.012442 -0.001759 0.006584 394 F 35 X 0.276386 0.022246 -0.056838 0.004713 0.172735 395 F 35 Y 0.020705 0.079771 0.017914 -0.082917 -0.008048 396 F 35 Z 0.035250 -0.010433 0.039534 -0.000471 0.241857 397 F 35 X 0.178048 0.014690 -0.037680 0.002371 0.115622 398 F 35 Y 0.012186 0.053552 0.012514 -0.055800 -0.005334 399 F 35 Z 0.030261 -0.006435 0.024897 -0.000869 0.156402 400 F 35 XX 0.009480 0.000781 -0.002059 0.000113 0.006286 401 F 35 YY -0.004283 -0.000419 0.001443 -0.000175 -0.001620 402 F 35 ZZ -0.005197 -0.000362 0.000616 0.000063 -0.004666 403 F 35 XY 0.001325 0.001949 0.000232 -0.002072 0.000428 404 F 35 XZ -0.001105 -0.000512 0.001374 -0.000067 0.002860 405 F 35 YZ -0.000024 -0.000429 -0.000009 0.000652 0.000445 406 F 36 S 0.001533 -0.000001 -0.000158 0.000083 -0.001432 407 F 36 S 0.043386 0.002520 -0.007541 0.000323 -0.006706 408 F 36 S 0.068140 0.005832 -0.013648 0.000365 0.001300 409 F 36 X -0.057752 -0.015905 0.040623 0.006156 0.312347 410 F 36 Y 0.017484 -0.030977 -0.001121 -0.019192 0.037300 411 F 36 Z -0.247765 -0.016604 0.054436 -0.000219 0.091143 412 F 36 X -0.041938 -0.010800 0.027388 0.003214 0.207424 413 F 36 Y 0.010995 -0.022028 -0.000827 -0.011313 0.024991 414 F 36 Z -0.159217 -0.010535 0.034762 -0.000234 0.063322 415 F 36 XX 0.003983 0.000294 -0.000811 0.000013 -0.001155 416 F 36 YY 0.004685 0.000236 -0.001016 0.000011 -0.002684 417 F 36 ZZ -0.008667 -0.000530 0.001826 -0.000025 0.003839 418 F 36 XY 0.000201 -0.000293 -0.000159 0.000145 -0.000443 419 F 36 XZ -0.003313 -0.000606 0.001363 0.000159 0.006990 420 F 36 YZ 0.001170 -0.000764 -0.000140 -0.000623 0.000411 421 C 37 S -0.000020 0.000447 -0.004747 0.004609 0.000444 422 C 37 S 0.008546 -0.006732 0.085386 -0.090230 -0.008386 423 C 37 S 0.025482 -0.017058 0.090520 -0.069574 -0.000881 424 C 37 X 0.019425 0.048010 0.139156 -0.101344 0.010398 425 C 37 Y -0.037515 0.102291 -0.117070 0.040826 0.020106 426 C 37 Z -0.002338 0.025667 -0.009384 0.008448 0.009393 427 C 37 X -0.003904 0.019737 0.022674 -0.026750 0.004942 428 C 37 Y -0.001557 0.022358 -0.026681 0.022887 0.012745 429 C 37 Z -0.000556 0.005366 -0.000760 0.002733 0.004043 430 C 37 XX -0.000101 -0.006232 0.003500 -0.003828 -0.002053 431 C 37 YY 0.000075 0.004349 -0.002915 0.002904 0.001720 432 C 37 ZZ 0.000026 0.001883 -0.000585 0.000924 0.000334 433 C 37 XY 0.000908 -0.008291 0.001429 0.000030 -0.001068 434 C 37 XZ -0.000043 -0.003067 -0.000539 0.000357 -0.000897 435 C 37 YZ 0.000224 -0.001008 0.000100 0.000269 -0.000100 436 S 38 S -0.000203 0.000017 -0.000609 0.000335 -0.000148 437 S 38 S -0.001018 -0.000141 -0.003012 0.001840 -0.001064 438 S 38 S 0.045149 -0.042334 0.136900 -0.059191 -0.007585 439 S 38 S 0.057852 -0.043177 0.194819 -0.085322 -0.007332 440 S 38 X -0.000246 -0.000035 0.002018 -0.003354 0.000680 441 S 38 Y -0.000741 0.000012 -0.000790 -0.001719 -0.000297 442 S 38 Z 0.000022 -0.000188 -0.000310 -0.000105 -0.000101 443 S 38 X -0.001903 -0.001222 -0.072732 0.102792 -0.000870 444 S 38 Y 0.028319 -0.007330 0.030703 0.048174 0.012261 445 S 38 Z 0.002660 0.005346 0.008785 0.002883 0.004702 446 S 38 X 0.000867 0.006058 -0.019965 0.038985 -0.017759 447 S 38 Y 0.012827 -0.005626 0.017642 0.012882 0.002445 448 S 38 Z 0.001715 0.002211 0.005394 0.001133 0.002884 449 S 38 XX 0.005110 0.001925 -0.009881 0.026465 0.003101 450 S 38 YY -0.006508 -0.001035 0.003086 -0.023310 -0.003328 451 S 38 ZZ 0.001397 -0.000890 0.006795 -0.003155 0.000227 452 S 38 XY 0.003023 0.004446 0.010283 -0.006202 0.002656 453 S 38 XZ 0.000464 0.000521 -0.000347 0.001247 0.000633 454 S 38 YZ -0.000432 -0.001176 -0.001882 -0.000078 -0.000579 455 S 38 XX 0.000736 0.000363 -0.001853 0.004819 0.000602 456 S 38 YY -0.001085 -0.000196 0.000709 -0.004315 -0.000713 457 S 38 ZZ 0.000348 -0.000167 0.001144 -0.000503 0.000111 458 S 38 XY 0.000368 0.000857 0.001723 -0.001119 0.000299 459 S 38 XZ 0.000079 0.000103 -0.000000 0.000238 0.000085 460 S 38 YZ -0.000035 -0.000244 -0.000365 0.000002 -0.000109 461 H 39 S 0.025694 0.013188 0.178914 -0.138896 -0.002040 462 H 39 S 0.008755 -0.000623 0.053619 -0.036499 -0.001198 463 H 39 X -0.002131 -0.000837 -0.015515 0.012550 0.000176 464 H 39 Y -0.000366 0.002816 0.001388 -0.002817 0.000261 465 H 39 Z 0.000145 0.000788 0.000514 -0.000250 0.000213 66 67 68 69 70 -0.6950 -0.6907 -0.6897 -0.6750 -0.6656 A A A A A 1 C 1 S 0.001331 0.000334 0.000062 -0.000174 -0.000660 2 C 1 S -0.045422 0.013091 0.002823 0.003938 0.012848 3 C 1 S -0.053113 -0.001421 0.006350 0.006934 0.035314 4 C 1 X -0.013097 0.020384 -0.005341 0.006929 0.038580 5 C 1 Y 0.061121 -0.039631 0.001315 -0.014940 0.029878 6 C 1 Z 0.006449 -0.006539 0.001215 -0.001693 -0.004450 7 C 1 X 0.002890 0.017610 -0.003100 -0.000737 0.016192 8 C 1 Y 0.024334 -0.013197 -0.004436 -0.003411 0.015814 9 C 1 Z 0.000450 -0.002441 0.003548 -0.003268 0.003645 10 C 1 XX -0.002178 0.000862 -0.000266 0.000660 -0.000325 11 C 1 YY 0.001442 -0.001565 0.000213 -0.000610 0.001254 12 C 1 ZZ 0.000736 0.000703 0.000053 -0.000050 -0.000929 13 C 1 XY -0.004648 0.004512 -0.000510 0.001153 -0.002546 14 C 1 XZ 0.000088 0.000114 -0.000188 0.000051 -0.000834 15 C 1 YZ 0.000704 -0.000845 0.000112 -0.000181 -0.000290 16 C 2 S 0.000825 -0.001068 -0.000162 0.000562 0.000439 17 C 2 S 0.007525 0.014988 -0.004848 0.005712 -0.014529 18 C 2 S 0.005554 0.005765 0.012620 -0.019088 -0.027577 19 C 2 X 0.019724 -0.049201 0.011039 -0.015620 0.005218 20 C 2 Y 0.119128 -0.078547 0.003760 -0.024230 0.084456 21 C 2 Z 0.007800 -0.005089 0.000304 0.000972 0.002760 22 C 2 X 0.005800 -0.000145 -0.008139 -0.002294 -0.014856 23 C 2 Y 0.031898 -0.057275 0.010752 -0.022016 0.033331 24 C 2 Z 0.001409 -0.001787 -0.003010 0.003851 -0.004395 25 C 2 XX -0.004297 0.002567 0.000292 0.000097 -0.003030 26 C 2 YY 0.005639 -0.003604 0.000082 -0.001063 0.003793 27 C 2 ZZ -0.001342 0.001038 -0.000374 0.000966 -0.000763 28 C 2 XY 0.000999 -0.001088 -0.000106 -0.000265 -0.001649 29 C 2 XZ 0.000108 -0.000331 0.000158 -0.000265 0.000368 30 C 2 YZ 0.000628 -0.000747 0.000024 0.000121 -0.000385 31 C 3 S -0.001123 0.001234 0.000715 0.000792 0.000242 32 C 3 S 0.014161 0.004513 -0.002391 0.004179 0.031838 33 C 3 S 0.004800 -0.040421 -0.032822 -0.007109 -0.031723 34 C 3 X 0.114567 -0.111363 0.013391 -0.032578 0.022312 35 C 3 Y -0.087310 0.038843 0.001567 0.012359 -0.045916 36 C 3 Z 0.008141 -0.014980 -0.000660 0.007750 -0.012664 37 C 3 X 0.070834 -0.013165 0.031468 -0.000732 0.042255 38 C 3 Y -0.027682 -0.047755 0.026576 -0.028665 -0.037641 39 C 3 Z 0.007687 -0.007853 0.001182 0.008812 -0.000739 40 C 3 XX -0.005237 -0.000504 0.000116 -0.000495 -0.003512 41 C 3 YY 0.005664 0.000016 -0.000519 0.000113 0.003905 42 C 3 ZZ -0.000428 0.000488 0.000403 0.000382 -0.000393 43 C 3 XY -0.000230 -0.002128 0.001177 -0.000545 -0.000790 44 C 3 XZ 0.000440 -0.001099 0.000784 -0.001663 -0.001197 45 C 3 YZ 0.000892 -0.001534 0.000449 -0.000106 0.000267 46 C 4 S 0.000229 0.000568 -0.000155 0.000020 0.000685 47 C 4 S -0.023353 -0.012106 0.008226 -0.000053 -0.039892 48 C 4 S -0.019054 -0.012231 -0.004619 0.004442 -0.048474 49 C 4 X -0.008777 0.018410 -0.002263 0.002369 -0.023363 50 C 4 Y -0.082687 0.078893 -0.007564 0.022638 0.013667 51 C 4 Z 0.017233 -0.028260 0.003094 -0.001658 -0.039286 52 C 4 X 0.007125 -0.007914 0.002564 -0.007215 -0.023166 53 C 4 Y -0.036578 0.051773 -0.000693 0.021956 0.015903 54 C 4 Z 0.008121 -0.016076 0.007785 -0.009574 -0.014505 55 C 4 XX -0.001622 0.001040 0.000280 0.001035 -0.003582 56 C 4 YY 0.003900 -0.002710 -0.000119 -0.000416 0.003668 57 C 4 ZZ -0.002278 0.001670 -0.000161 -0.000618 -0.000086 58 C 4 XY 0.003083 -0.002546 -0.000181 -0.000408 0.004676 59 C 4 XZ -0.000154 -0.000095 0.000063 -0.000915 0.000250 60 C 4 YZ 0.003285 -0.003789 0.000818 -0.001067 -0.001657 61 S 5 S 0.000170 -0.000165 0.000022 0.000024 0.000314 62 S 5 S 0.000948 -0.000618 0.000069 0.000363 0.001980 63 S 5 S -0.011699 0.039351 -0.008651 0.012130 -0.017849 64 S 5 S -0.028659 0.061317 -0.009122 0.018464 -0.030326 65 S 5 X 0.001062 -0.001486 0.000125 -0.000522 -0.000112 66 S 5 Y 0.000063 0.000026 -0.000065 0.000101 0.001611 67 S 5 Z -0.000463 0.000554 -0.000012 0.000250 0.000513 68 S 5 X -0.023470 0.035708 -0.006651 0.012293 -0.002446 69 S 5 Y -0.003521 0.003256 0.001924 0.002030 -0.045858 70 S 5 Z 0.012125 -0.015527 0.002409 -0.004604 -0.019107 71 S 5 X -0.009153 0.017386 -0.004866 0.007072 -0.001035 72 S 5 Y -0.002421 0.006350 0.000368 0.000774 -0.020775 73 S 5 Z 0.008111 -0.008016 -0.000036 -0.001922 -0.010675 74 S 5 XX 0.006744 -0.007374 0.001134 -0.002622 -0.002761 75 S 5 YY -0.005627 0.004607 -0.000448 0.001483 0.005158 76 S 5 ZZ -0.001117 0.002767 -0.000687 0.001139 -0.002397 77 S 5 XY 0.001550 -0.001009 -0.000544 -0.000295 0.011353 78 S 5 XZ -0.002708 0.003332 -0.000414 0.000662 0.003959 79 S 5 YZ 0.000037 -0.000501 0.000140 -0.000171 -0.002490 80 S 5 XX 0.001245 -0.001284 0.000185 -0.000409 -0.000447 81 S 5 YY -0.001016 0.000858 -0.000109 0.000258 0.000951 82 S 5 ZZ -0.000229 0.000426 -0.000075 0.000151 -0.000504 83 S 5 XY 0.000217 -0.000074 -0.000091 -0.000047 0.002026 84 S 5 XZ -0.000475 0.000656 -0.000115 0.000192 0.000690 85 S 5 YZ 0.000064 -0.000175 0.000032 -0.000043 -0.000569 86 H 6 S -0.074387 0.077423 -0.010384 0.023322 -0.060864 87 H 6 S -0.025514 -0.000586 -0.002712 -0.000297 -0.011646 88 H 6 X -0.005015 0.004851 -0.000990 0.002306 -0.004872 89 H 6 Y -0.003425 0.003934 -0.000690 0.001132 -0.002310 90 H 6 Z 0.000172 0.000421 -0.000155 0.000383 -0.000355 91 C 7 S -0.001171 0.000460 -0.000260 0.002255 0.000784 92 C 7 S -0.025081 -0.002677 0.010580 0.013739 -0.029968 93 C 7 S 0.031107 0.015855 0.029784 -0.033253 0.023692 94 C 7 X 0.068853 -0.039712 -0.001965 -0.016709 -0.045581 95 C 7 Y 0.016105 -0.034074 0.008455 -0.003027 -0.049375 96 C 7 Z -0.027000 0.017875 0.005647 0.023340 0.011099 97 C 7 X 0.014755 -0.034838 -0.019380 0.025415 -0.030333 98 C 7 Y -0.024851 -0.019971 0.014814 0.009771 -0.062823 99 C 7 Z -0.001170 0.010274 0.004993 0.006409 0.007488 100 C 7 XX 0.001821 0.001947 -0.001386 -0.001860 0.003267 101 C 7 YY -0.001398 -0.002420 0.001640 0.000776 -0.004409 102 C 7 ZZ -0.000423 0.000472 -0.000254 0.001084 0.001142 103 C 7 XY 0.000902 -0.000334 0.000886 0.000624 0.003873 104 C 7 XZ -0.001565 -0.000221 -0.000231 -0.000536 -0.000861 105 C 7 YZ 0.000293 -0.000547 0.000312 -0.000088 0.000223 106 C 8 S 0.000422 -0.001333 0.000294 0.000778 0.000260 107 C 8 S -0.024364 0.036565 -0.009091 0.002896 0.003049 108 C 8 S -0.026223 0.042173 -0.009468 -0.002091 0.004780 109 C 8 X -0.035022 0.010186 0.005935 -0.000481 -0.043579 110 C 8 Y -0.024824 0.038593 -0.008629 0.011269 0.070077 111 C 8 Z -0.015411 0.012960 0.000482 0.007255 0.003744 112 C 8 X -0.024318 -0.012944 0.010557 0.019600 -0.015526 113 C 8 Y -0.003720 0.013370 -0.010148 0.008235 0.029241 114 C 8 Z -0.008711 0.005726 -0.001142 0.003341 -0.000320 115 C 8 XX -0.001264 0.001372 -0.000046 0.000533 0.001764 116 C 8 YY 0.000914 -0.000043 -0.000215 -0.000610 -0.000860 117 C 8 ZZ 0.000350 -0.001329 0.000261 0.000078 -0.000904 118 C 8 XY 0.003196 -0.000984 -0.000497 -0.000818 -0.001936 119 C 8 XZ 0.000509 -0.000149 -0.000277 -0.000286 -0.000417 120 C 8 YZ 0.001263 -0.000574 -0.000087 -0.000433 0.000457 121 C 9 S -0.000451 -0.000660 0.000059 0.000977 -0.000127 122 C 9 S 0.025646 0.008636 -0.012290 -0.005620 0.036542 123 C 9 S 0.032755 0.005625 -0.000388 -0.039510 0.023062 124 C 9 X 0.004015 0.001523 -0.003212 0.005406 0.046761 125 C 9 Y 0.094506 -0.065293 -0.000437 -0.018035 -0.012514 126 C 9 Z -0.035339 0.020132 0.004873 0.015196 -0.019225 127 C 9 X 0.010054 -0.002716 -0.001656 -0.006845 0.038768 128 C 9 Y 0.062484 -0.035898 0.002085 -0.021091 -0.008783 129 C 9 Z -0.027608 0.008673 0.002469 0.001297 -0.017521 130 C 9 XX 0.001710 -0.001432 0.000107 0.000336 0.001428 131 C 9 YY 0.000571 -0.000346 0.000213 -0.000992 -0.001882 132 C 9 ZZ -0.002281 0.001778 -0.000320 0.000656 0.000454 133 C 9 XY 0.001976 -0.000797 -0.000604 -0.000613 0.006008 134 C 9 XZ 0.000047 0.000168 -0.000385 -0.001168 0.000329 135 C 9 YZ 0.005250 -0.002935 0.000167 -0.000505 0.000673 136 C 10 S -0.002157 0.000388 -0.001627 -0.001715 -0.001870 137 C 10 S 0.036457 -0.025133 -0.008692 -0.011785 0.042889 138 C 10 S 0.063187 -0.035051 0.031696 0.029996 0.048835 139 C 10 X -0.065920 0.041313 0.011650 0.019228 0.004284 140 C 10 Y -0.092134 0.065642 -0.001784 0.031239 0.025760 141 C 10 Z -0.001485 0.005775 0.007006 0.026294 0.002406 142 C 10 X -0.086072 -0.022749 0.019302 0.021830 -0.084411 143 C 10 Y -0.063844 0.008268 -0.077996 0.052201 -0.003458 144 C 10 Z 0.001247 0.003150 0.008914 0.015037 0.017773 145 C 10 XX -0.002879 0.002429 -0.003398 0.001272 0.003187 146 C 10 YY 0.004704 -0.003786 0.002442 -0.002818 -0.002548 147 C 10 ZZ -0.001824 0.001358 0.000956 0.001546 -0.000639 148 C 10 XY -0.001776 -0.003041 0.000767 -0.000430 -0.003807 149 C 10 XZ 0.000441 -0.001620 0.000699 0.002578 0.001843 150 C 10 YZ 0.000989 -0.000140 0.001228 -0.000058 0.000634 151 C 11 S 0.000297 -0.000009 0.000922 -0.001663 0.001046 152 C 11 S 0.000291 0.004755 0.002979 -0.011805 -0.037265 153 C 11 S 0.006030 0.009852 -0.020534 0.040584 -0.025648 154 C 11 X -0.091784 0.088164 -0.015353 0.029820 0.017675 155 C 11 Y 0.103024 -0.071661 -0.000038 -0.030517 0.013076 156 C 11 Z -0.005384 0.001567 -0.009706 0.024363 -0.009027 157 C 11 X 0.004277 0.109682 -0.013088 0.020961 0.083550 158 C 11 Y 0.015509 -0.037349 -0.087472 -0.004703 -0.010339 159 C 11 Z -0.003503 0.007552 -0.014224 0.018452 -0.013597 160 C 11 XX -0.005056 0.003746 0.003258 0.000565 -0.002804 161 C 11 YY 0.006585 -0.004621 -0.002598 -0.002246 0.002714 162 C 11 ZZ -0.001528 0.000876 -0.000660 0.001681 0.000091 163 C 11 XY -0.002911 -0.003120 0.001472 -0.000425 -0.003679 164 C 11 XZ 0.001177 0.000042 -0.000067 0.001357 -0.004058 165 C 11 YZ -0.000517 0.000180 0.001485 0.000048 0.000091 166 C 12 S 0.000297 -0.000960 0.000037 0.000381 0.003303 167 C 12 S -0.029043 -0.014643 -0.014472 -0.002667 0.009512 168 C 12 S -0.079821 -0.028599 -0.026973 -0.009871 -0.070635 169 C 12 X 0.052014 0.016371 -0.002232 0.002203 0.022835 170 C 12 Y 0.001111 0.021472 0.009531 0.010639 0.002193 171 C 12 Z -0.022901 0.031701 0.035730 0.002267 -0.028845 172 C 12 X -0.009788 0.012319 0.044639 -0.013116 -0.018042 173 C 12 Y 0.066371 0.016192 0.041918 -0.007179 0.010254 174 C 12 Z 0.024633 0.014891 0.006417 0.014558 0.015027 175 C 12 XX 0.006728 -0.009415 -0.001230 -0.001781 0.005064 176 C 12 YY 0.016050 0.001463 -0.005632 -0.008982 -0.002975 177 C 12 ZZ -0.022778 0.007952 0.006862 0.010763 -0.002088 178 C 12 XY -0.007734 0.014439 -0.008111 -0.008661 -0.010731 179 C 12 XZ 0.000870 -0.000746 0.011742 0.026306 0.014932 180 C 12 YZ 0.024007 0.002471 0.011131 0.003357 0.000490 181 C 13 S -0.001687 0.000737 -0.000084 0.001376 0.000235 182 C 13 S 0.004205 -0.007134 -0.000757 0.013507 -0.002710 183 C 13 S 0.040289 -0.030571 -0.001127 -0.002834 -0.007447 184 C 13 X -0.015102 0.004831 0.000189 -0.029230 -0.001930 185 C 13 Y 0.035344 0.051402 0.002445 -0.007005 -0.001808 186 C 13 Z 0.037683 -0.022583 0.001643 0.040507 -0.018887 187 C 13 X 0.019360 -0.021562 -0.003709 0.023626 -0.005752 188 C 13 Y 0.037233 0.046184 0.058792 0.009101 0.022163 189 C 13 Z 0.007871 -0.000549 0.004213 -0.032510 0.007981 190 C 13 XX 0.013479 -0.006552 -0.000766 0.007304 -0.003632 191 C 13 YY -0.002980 -0.000031 0.005433 -0.002030 -0.004681 192 C 13 ZZ -0.010499 0.006583 -0.004667 -0.005274 0.008313 193 C 13 XY -0.016782 -0.023208 0.009826 0.000258 -0.008547 194 C 13 XZ -0.004624 0.001973 0.003379 -0.016806 -0.002426 195 C 13 YZ -0.002646 -0.005798 -0.025766 0.003279 0.017863 196 C 14 S 0.001494 -0.000861 0.000378 -0.000894 -0.002354 197 C 14 S 0.015175 0.023207 0.017573 -0.007625 -0.011620 198 C 14 S 0.017321 0.082242 0.020358 0.002957 0.045441 199 C 14 X -0.007002 -0.064090 0.001769 -0.004385 -0.026197 200 C 14 Y 0.023657 -0.004334 0.019208 -0.012037 -0.025988 201 C 14 Z -0.020812 0.001761 -0.034772 0.010020 0.036903 202 C 14 X -0.005838 -0.011309 -0.055197 -0.010185 0.011215 203 C 14 Y 0.007922 0.065539 0.038452 -0.002039 0.015324 204 C 14 Z -0.006797 -0.015287 -0.003071 0.005475 -0.012676 205 C 14 XX 0.002164 0.000478 0.003813 -0.004204 -0.001688 206 C 14 YY 0.004489 -0.022848 -0.000906 -0.005720 -0.001640 207 C 14 ZZ -0.006653 0.022370 -0.002907 0.009925 0.003328 208 C 14 XY 0.013868 0.002807 -0.005531 0.000567 -0.010832 209 C 14 XZ 0.004139 -0.004319 -0.013654 0.019503 -0.025287 210 C 14 YZ 0.002382 0.013086 0.010878 -0.004588 -0.000196 211 F 15 S 0.001712 -0.000418 -0.000403 0.000436 0.000342 212 F 15 S 0.012056 -0.007405 -0.004542 0.000319 0.002990 213 F 15 S 0.007568 -0.012537 -0.003566 -0.005686 0.003883 214 F 15 X -0.010454 0.098977 0.209766 0.345693 0.133362 215 F 15 Y 0.278480 -0.006366 0.160357 0.115560 0.008075 216 F 15 Z 0.083425 -0.012645 -0.000293 0.078962 0.093467 217 F 15 X -0.008562 0.065416 0.143598 0.240312 0.090697 218 F 15 Y 0.188523 -0.009164 0.107834 0.080906 0.003875 219 F 15 Z 0.057305 -0.006929 0.000172 0.055191 0.063285 220 F 15 XX 0.002064 0.000582 0.001340 0.003465 0.002316 221 F 15 YY 0.000864 -0.000350 -0.001250 -0.000773 0.000824 222 F 15 ZZ -0.002928 -0.000233 -0.000090 -0.002692 -0.003140 223 F 15 XY 0.001624 0.000145 0.000097 -0.000211 -0.000283 224 F 15 XZ 0.000821 -0.002313 -0.004620 -0.006423 -0.001775 225 F 15 YZ -0.006232 0.000111 -0.003567 -0.002652 -0.000351 226 F 16 S 0.001557 -0.000447 -0.000034 -0.000084 0.000053 227 F 16 S 0.004220 -0.001180 -0.000138 0.000237 0.001333 228 F 16 S -0.010272 0.002980 -0.000695 0.002894 0.002886 229 F 16 X -0.020480 0.184466 -0.187499 -0.261747 -0.201468 230 F 16 Y 0.154775 0.080486 -0.013563 -0.133136 -0.082384 231 F 16 Z 0.202098 0.006156 0.003938 -0.083919 0.009261 232 F 16 X -0.013524 0.126521 -0.133848 -0.180996 -0.138224 233 F 16 Y 0.105761 0.052592 -0.014018 -0.092753 -0.057615 234 F 16 Z 0.133103 0.002887 -0.002134 -0.059483 0.008210 235 F 16 XX 0.000822 0.002186 -0.001765 -0.002774 -0.001952 236 F 16 YY -0.004878 -0.002746 0.000588 0.004064 0.002484 237 F 16 ZZ 0.004055 0.000560 0.001177 -0.001290 -0.000532 238 F 16 XY 0.001036 -0.002738 0.003792 0.003786 0.002586 239 F 16 XZ 0.001071 0.002209 -0.001537 -0.002633 -0.001674 240 F 16 YZ -0.001120 0.000758 0.000555 0.000354 -0.001254 241 F 17 S 0.000340 -0.000987 0.000047 0.000002 -0.000544 242 F 17 S 0.001774 -0.003663 0.000541 -0.000330 -0.001871 243 F 17 S -0.000814 0.004394 0.001636 -0.000208 0.001566 244 F 17 X -0.147127 -0.107001 0.178882 -0.204910 0.311203 245 F 17 Y 0.026343 0.201863 0.023427 0.081578 -0.056867 246 F 17 Z 0.011412 -0.144447 -0.000030 -0.068599 -0.006334 247 F 17 X -0.100764 -0.073457 0.129256 -0.141624 0.215241 248 F 17 Y 0.016020 0.136197 0.011057 0.058188 -0.039147 249 F 17 Z 0.007898 -0.095067 0.004700 -0.049706 -0.005178 250 F 17 XX -0.000894 -0.001316 0.000464 -0.000975 0.001252 251 F 17 YY 0.000930 0.005217 0.000335 0.002309 -0.001688 252 F 17 ZZ -0.000036 -0.003900 -0.000799 -0.001334 0.000436 253 F 17 XY -0.002092 -0.001608 0.003488 -0.003189 0.004263 254 F 17 XZ -0.002217 -0.002372 0.002194 -0.002667 0.003892 255 F 17 YZ 0.000608 0.001500 0.001316 -0.000279 -0.001116 256 F 18 S 0.000507 -0.001075 0.000336 0.000231 -0.001011 257 F 18 S 0.007329 -0.006470 0.004784 -0.000974 -0.006642 258 F 18 S 0.010759 -0.001723 0.005168 -0.005736 -0.003991 259 F 18 X -0.045961 -0.101163 -0.221001 0.277857 -0.201959 260 F 18 Y -0.052776 0.252926 0.125654 -0.073236 0.089048 261 F 18 Z 0.000678 -0.016792 0.024045 0.037494 -0.121657 262 F 18 X -0.028236 -0.067514 -0.151309 0.193618 -0.138648 263 F 18 Y -0.039984 0.171631 0.083989 -0.051614 0.062161 264 F 18 Z -0.001623 -0.012224 0.015194 0.026573 -0.083359 265 F 18 XX -0.000274 -0.002713 -0.001524 0.002658 -0.003461 266 F 18 YY -0.000275 0.002007 0.002225 -0.001484 -0.000103 267 F 18 ZZ 0.000549 0.000706 -0.000701 -0.001174 0.003563 268 F 18 XY -0.000300 0.000922 -0.001264 0.001695 -0.001022 269 F 18 XZ 0.000991 0.001990 0.004694 -0.005013 0.002471 270 F 18 YZ 0.000969 -0.005580 -0.002353 0.001619 -0.002827 271 C 19 S -0.001561 0.001051 -0.000061 0.000619 0.000787 272 C 19 S 0.013321 -0.014957 0.002493 -0.001517 -0.006867 273 C 19 S 0.018125 -0.010140 0.002957 -0.011262 -0.009522 274 C 19 X 0.013864 -0.035086 0.010985 -0.005997 -0.059557 275 C 19 Y 0.048809 -0.044808 0.004411 -0.007445 0.000699 276 C 19 Z 0.000860 -0.002423 0.001645 0.002341 -0.003543 277 C 19 X 0.006488 -0.012608 0.003089 -0.001822 -0.022294 278 C 19 Y 0.015983 -0.020361 0.002615 0.001714 0.001171 279 C 19 Z 0.000778 -0.001714 0.001091 0.002264 -0.001194 280 C 19 XX -0.000313 -0.000587 0.000391 0.000467 -0.000425 281 C 19 YY -0.002747 0.003072 -0.000533 0.000023 -0.000040 282 C 19 ZZ 0.003060 -0.002485 0.000143 -0.000490 0.000465 283 C 19 XY -0.003565 0.004363 -0.000775 0.000911 0.003464 284 C 19 XZ -0.000238 0.000332 -0.000158 -0.000110 0.000422 285 C 19 YZ -0.000778 0.000814 -0.000146 0.000028 0.000097 286 H 20 S 0.010660 -0.029463 0.009595 -0.004439 -0.051930 287 H 20 S 0.002327 -0.009055 0.002997 -0.000500 -0.014946 288 H 20 X -0.001046 0.002098 -0.000571 0.000450 0.003715 289 H 20 Y 0.001540 -0.001830 0.000315 -0.000333 -0.001224 290 H 20 Z -0.000069 0.000040 0.000005 0.000048 -0.000021 291 H 21 S 0.030493 -0.025602 0.001230 -0.005455 0.006504 292 H 21 S 0.009395 -0.007334 0.000167 -0.002221 0.000506 293 H 21 X 0.000888 -0.001373 0.000291 -0.000259 -0.001608 294 H 21 Y -0.000682 0.000799 -0.000108 0.000075 -0.000110 295 H 21 Z 0.002557 -0.002160 0.000123 -0.000390 0.000413 296 C 22 S -0.002225 0.001780 -0.000093 0.000580 -0.000246 297 C 22 S 0.023540 -0.012514 0.000471 -0.003615 -0.000066 298 C 22 S 0.026769 -0.018515 -0.001825 -0.004583 0.001435 299 C 22 X 0.050037 -0.025456 -0.001008 -0.009553 0.035029 300 C 22 Y -0.063177 0.036113 -0.001782 0.013024 0.021354 301 C 22 Z -0.003864 0.000541 0.000596 0.000549 -0.003781 302 C 22 X 0.016552 -0.009206 0.000012 -0.002389 0.012406 303 C 22 Y -0.024278 0.013931 -0.001220 0.005887 0.005950 304 C 22 Z -0.000780 -0.000143 -0.000883 0.001122 -0.003130 305 C 22 XX 0.001142 -0.000865 0.000151 -0.000357 -0.001426 306 C 22 YY -0.005811 0.003275 -0.000092 0.001192 -0.000147 307 C 22 ZZ 0.004669 -0.002410 -0.000059 -0.000835 0.001573 308 C 22 XY 0.004862 -0.002822 0.000048 -0.000890 -0.000480 309 C 22 XZ 0.000505 -0.000360 0.000026 -0.000109 -0.000029 310 C 22 YZ -0.000733 0.000357 -0.000061 0.000226 -0.000416 311 H 23 S 0.023695 -0.014463 0.001703 -0.004550 -0.033191 312 H 23 S 0.006432 -0.001800 0.000828 -0.000319 -0.011830 313 H 23 X 0.003275 -0.001822 0.000120 -0.000613 -0.001266 314 H 23 Y 0.000541 -0.000122 0.000104 -0.000054 -0.001916 315 H 23 Z -0.000066 0.000006 0.000075 -0.000042 -0.000114 316 H 24 S 0.043808 -0.024456 0.000507 -0.008412 0.012350 317 H 24 S 0.013090 -0.007081 0.000219 -0.002756 0.002975 318 H 24 X -0.001444 0.000910 -0.000060 0.000223 0.000415 319 H 24 Y -0.000845 0.000485 -0.000092 0.000231 0.000747 320 H 24 Z -0.003854 0.002052 -0.000018 0.000709 -0.001036 321 H 25 S 0.041451 -0.020910 -0.000455 -0.007538 0.017430 322 H 25 S 0.012195 -0.005705 -0.000329 -0.002383 0.004849 323 H 25 X -0.001044 0.000607 -0.000013 0.000134 0.000189 324 H 25 Y -0.001281 0.000712 -0.000040 0.000271 0.000744 325 H 25 Z 0.003707 -0.001890 0.000021 -0.000714 0.001409 326 C 26 S 0.000926 -0.000255 -0.000342 0.000034 0.000918 327 C 26 S -0.010091 -0.000620 0.003117 0.005852 -0.010385 328 C 26 S -0.015494 -0.001272 0.003725 -0.002035 -0.017017 329 C 26 X -0.000970 0.002916 -0.000795 0.008391 0.024011 330 C 26 Y 0.044817 -0.031281 -0.002936 -0.012287 -0.005388 331 C 26 Z 0.021288 0.004959 -0.010600 -0.012069 0.038339 332 C 26 X -0.003792 0.001607 -0.002651 0.005406 0.005443 333 C 26 Y 0.008928 -0.008314 -0.001365 0.001810 0.000845 334 C 26 Z 0.003273 0.004519 -0.004621 -0.001215 0.013288 335 C 26 XX -0.002682 0.000868 0.000605 0.000808 -0.001470 336 C 26 YY 0.000769 -0.001516 0.000552 -0.000150 -0.002219 337 C 26 ZZ 0.001913 0.000647 -0.001157 -0.000658 0.003689 338 C 26 XY -0.000442 0.000510 0.000020 -0.000228 -0.000151 339 C 26 XZ 0.000346 0.000036 -0.000282 0.000131 0.000835 340 C 26 YZ 0.001835 -0.000653 -0.000404 -0.000268 0.001135 341 H 27 S -0.031796 0.013042 0.006010 0.005592 -0.023459 342 H 27 S -0.014156 0.005802 -0.000938 0.013820 -0.006145 343 H 27 X -0.003026 0.001412 0.000395 0.001466 -0.000924 344 H 27 Y -0.001226 0.000102 0.000257 0.000527 -0.001879 345 H 27 Z 0.000108 0.000108 -0.000184 0.000010 0.000368 346 H 28 S 0.016063 -0.023936 0.003854 -0.002143 -0.030005 347 H 28 S 0.003686 -0.004845 0.001788 -0.001582 -0.008972 348 H 28 X 0.000362 -0.000394 0.000146 0.000279 0.000178 349 H 28 Y -0.000178 0.001220 -0.000444 -0.000443 0.002525 350 H 28 Z 0.000687 -0.000676 -0.000019 -0.000488 -0.000525 351 H 29 S -0.025482 0.010393 0.005161 0.016539 0.002471 352 H 29 S -0.007500 0.004824 0.002484 0.006010 0.001064 353 H 29 X 0.002417 -0.000992 -0.000469 -0.001526 0.000293 354 H 29 Y 0.000419 -0.000544 0.000168 0.000201 -0.000229 355 H 29 Z -0.000193 0.000366 -0.000003 0.000232 0.000589 356 C 30 S 0.000058 -0.000838 0.000556 0.000729 -0.000712 357 C 30 S 0.006631 0.003854 -0.002191 -0.003083 0.013913 358 C 30 S 0.006236 0.005836 -0.009343 -0.008114 0.010726 359 C 30 X -0.000719 0.006150 -0.001368 -0.006502 -0.009665 360 C 30 Y -0.036677 0.040800 -0.002364 0.014561 0.021230 361 C 30 Z 0.020397 0.009798 -0.005839 -0.005654 0.051421 362 C 30 X -0.001106 0.005761 0.001012 0.005993 0.001524 363 C 30 Y -0.007326 0.006557 -0.001890 -0.002642 0.006269 364 C 30 Z 0.012032 -0.000423 -0.000863 -0.006313 0.020345 365 C 30 XX -0.000354 0.002066 -0.000521 0.000067 0.003070 366 C 30 YY 0.002582 -0.001116 -0.000077 -0.000785 0.001901 367 C 30 ZZ -0.002228 -0.000950 0.000599 0.000719 -0.004972 368 C 30 XY -0.000134 0.000355 -0.000023 0.000253 -0.000098 369 C 30 XZ 0.000483 -0.000906 0.000145 0.000026 -0.000051 370 C 30 YZ 0.000563 -0.001127 0.000152 0.000162 -0.001799 371 H 31 S 0.037467 -0.021553 -0.002575 -0.015081 0.014564 372 H 31 S 0.008484 -0.005227 -0.002087 -0.006470 0.002918 373 H 31 X -0.000175 0.000176 -0.000034 -0.000414 -0.000579 374 H 31 Y 0.002368 -0.000721 -0.000325 -0.000886 0.001801 375 H 31 Z -0.001105 0.000873 0.000202 0.000677 0.000435 376 H 32 S -0.005707 0.017353 -0.002780 0.008288 0.034959 377 H 32 S -0.005415 0.011260 0.003796 0.018608 0.016355 378 H 32 X -0.001064 0.002100 0.000087 0.001414 0.003071 379 H 32 Y -0.000869 0.000320 -0.000084 -0.000428 -0.001480 380 H 32 Z 0.000278 -0.000108 -0.000118 -0.000643 0.000141 381 H 33 S -0.009443 0.026141 -0.004216 -0.000724 0.021522 382 H 33 S -0.005645 0.008717 -0.001421 -0.001951 0.005952 383 H 33 X 0.001104 -0.002334 0.000237 -0.000293 -0.002242 384 H 33 Y -0.000497 -0.000171 0.000246 0.000905 -0.000609 385 H 33 Z 0.000476 -0.000147 0.000026 0.000140 0.000648 386 H 34 S 0.024028 -0.020398 0.002145 -0.001108 0.005476 387 H 34 S 0.007403 -0.005562 0.000114 -0.002025 0.000845 388 H 34 X 0.000869 -0.001376 0.000301 -0.000192 -0.001613 389 H 34 Y 0.000155 0.000081 -0.000113 -0.000182 -0.000018 390 H 34 Z -0.002238 0.001886 -0.000159 0.000174 -0.000556 391 F 35 S -0.000249 0.000230 -0.000033 -0.000600 -0.000109 392 F 35 S -0.005106 0.003522 -0.000215 -0.002258 -0.000248 393 F 35 S -0.008508 0.005362 0.000044 0.003556 0.000858 394 F 35 X 0.032052 -0.063831 0.014202 0.102659 -0.014535 395 F 35 Y 0.276790 0.323494 -0.246169 0.049453 0.195939 396 F 35 Z 0.002771 0.043101 -0.025808 0.012660 0.055867 397 F 35 X 0.018028 -0.040411 0.010198 0.070061 -0.008789 398 F 35 Y 0.186639 0.217323 -0.176620 0.033417 0.130501 399 F 35 Z 0.000223 0.030799 -0.018401 0.006032 0.038175 400 F 35 XX 0.000833 -0.002141 0.000565 0.003720 -0.000506 401 F 35 YY 0.000336 0.001914 -0.000737 -0.001350 0.000833 402 F 35 ZZ -0.001169 0.000227 0.000172 -0.002370 -0.000327 403 F 35 XY 0.006204 0.006837 -0.005622 0.001346 0.003453 404 F 35 XZ -0.000201 0.001548 -0.000606 -0.001390 0.001190 405 F 35 YZ -0.002431 -0.002936 0.000821 -0.000321 -0.001476 406 F 36 S 0.001133 -0.000852 0.000060 0.000537 -0.000437 407 F 36 S 0.008888 -0.007018 0.000294 0.001766 -0.002142 408 F 36 S 0.007549 -0.006578 -0.000118 -0.005634 0.000198 409 F 36 X 0.003267 -0.031272 -0.032244 0.215533 -0.000699 410 F 36 Y 0.109777 0.151706 0.413379 -0.039145 -0.291468 411 F 36 Z -0.047458 0.056004 0.033580 -0.060114 0.007912 412 F 36 X -0.001835 -0.017533 -0.022168 0.149805 -0.000162 413 F 36 Y 0.070930 0.099817 0.284474 -0.026942 -0.201685 414 F 36 Z -0.032368 0.037277 0.023028 -0.041643 0.005620 415 F 36 XX 0.001122 -0.000812 -0.000022 0.000872 -0.000520 416 F 36 YY 0.000111 -0.000919 -0.001261 0.001553 0.000251 417 F 36 ZZ -0.001233 0.001731 0.001283 -0.002425 0.000269 418 F 36 XY -0.000243 -0.000335 0.000643 -0.000536 -0.000362 419 F 36 XZ -0.000271 -0.000527 -0.000650 0.004454 -0.000079 420 F 36 YZ 0.002878 0.003724 0.009092 -0.000529 -0.005984 421 C 37 S 0.000514 0.000100 -0.000210 -0.000094 -0.000743 422 C 37 S -0.001646 -0.016709 0.007278 0.000856 0.004640 423 C 37 S -0.009325 -0.002888 -0.002844 0.013973 0.014093 424 C 37 X -0.078325 0.024320 0.014033 0.019753 0.016494 425 C 37 Y -0.022592 0.007606 0.002979 -0.005907 -0.073310 426 C 37 Z -0.023430 0.013517 0.001965 0.006135 -0.018060 427 C 37 X -0.019631 0.007156 0.004859 -0.003948 -0.001939 428 C 37 Y 0.000194 0.007793 -0.002811 -0.013325 -0.022414 429 C 37 Z -0.003569 0.005301 0.000213 0.000882 -0.002663 430 C 37 XX 0.002135 -0.002189 0.000603 0.000403 0.001995 431 C 37 YY -0.001197 0.001860 -0.000686 -0.000307 -0.002059 432 C 37 ZZ -0.000938 0.000329 0.000083 -0.000096 0.000064 433 C 37 XY 0.003188 -0.000535 -0.000734 -0.000229 0.003374 434 C 37 XZ 0.002298 -0.001318 -0.000453 -0.000669 0.000982 435 C 37 YZ 0.000429 -0.000010 -0.000163 0.000123 0.000065 436 S 38 S 0.000065 -0.000077 0.000126 0.000032 -0.000127 437 S 38 S 0.000203 -0.000488 0.000917 0.000351 -0.000381 438 S 38 S -0.014667 -0.002450 0.005954 0.005777 0.025097 439 S 38 S -0.018375 -0.003078 0.000976 0.012654 0.050720 440 S 38 X -0.000296 0.000383 -0.000134 -0.000786 -0.001459 441 S 38 Y 0.000092 -0.000747 0.000424 -0.000211 -0.002221 442 S 38 Z -0.000004 -0.000170 -0.000236 -0.000376 -0.000347 443 S 38 X 0.020552 0.007711 -0.008970 0.001095 0.031517 444 S 38 Y -0.009333 0.029417 -0.010482 -0.000365 0.063947 445 S 38 Z -0.012722 0.011934 0.003702 0.010476 0.010613 446 S 38 X -0.000273 -0.009630 0.007406 0.018588 0.026381 447 S 38 Y -0.008853 0.011220 0.000433 0.000769 0.027186 448 S 38 Z -0.006249 0.005950 0.005838 0.009667 0.008885 449 S 38 XX 0.001387 0.006634 -0.003692 -0.000562 0.013236 450 S 38 YY -0.000015 -0.007632 0.003315 0.000553 -0.015713 451 S 38 ZZ -0.001372 0.000999 0.000377 0.000010 0.002477 452 S 38 XY -0.005664 0.003585 -0.000609 0.000786 0.002549 453 S 38 XZ -0.001456 0.001359 -0.000323 0.000348 0.000389 454 S 38 YZ 0.002425 -0.001645 -0.000515 -0.002255 -0.001239 455 S 38 XX 0.000271 0.001315 -0.000682 -0.000098 0.002467 456 S 38 YY -0.000008 -0.001509 0.000709 0.000101 -0.002926 457 S 38 ZZ -0.000263 0.000193 -0.000027 -0.000003 0.000459 458 S 38 XY -0.001117 0.000647 0.000046 0.000221 0.000473 459 S 38 XZ -0.000223 0.000206 -0.000030 0.000051 0.000079 460 S 38 YZ 0.000344 -0.000305 -0.000061 -0.000313 -0.000235 461 H 39 S -0.056917 0.006080 0.015237 0.017385 0.028991 462 H 39 S -0.017406 0.002164 0.004576 0.007387 0.011323 463 H 39 X 0.004205 -0.000214 -0.001185 -0.000983 -0.002353 464 H 39 Y -0.001868 0.000054 0.000468 0.000542 -0.000802 465 H 39 Z -0.001024 0.000407 0.000103 0.000277 -0.000577 71 72 73 74 75 -0.6622 -0.6493 -0.6410 -0.6395 -0.6343 A A A A A 1 C 1 S -0.000560 0.000184 -0.000335 0.001182 -0.000076 2 C 1 S 0.007209 -0.003903 0.003829 -0.022335 -0.007895 3 C 1 S 0.020518 -0.006537 0.012138 -0.031647 -0.007428 4 C 1 X 0.040431 -0.007783 0.039018 -0.084987 -0.033279 5 C 1 Y 0.059753 0.001644 -0.002105 0.002107 0.018656 6 C 1 Z -0.006482 0.002709 -0.007150 0.016686 0.003943 7 C 1 X 0.023003 -0.005587 0.019903 -0.045401 -0.019408 8 C 1 Y 0.042848 0.000389 -0.000095 -0.011122 0.011306 9 C 1 Z -0.002758 -0.000714 -0.002363 0.007147 0.002020 10 C 1 XX -0.000476 -0.000067 0.000369 -0.000639 -0.000025 11 C 1 YY 0.001491 -0.000169 -0.000001 -0.000952 -0.000119 12 C 1 ZZ -0.001015 0.000236 -0.000369 0.001591 0.000144 13 C 1 XY -0.005276 0.000103 0.000468 0.001534 -0.000877 14 C 1 XZ -0.000865 0.000062 -0.000372 0.000887 0.000057 15 C 1 YZ -0.000517 0.000231 -0.000407 0.000910 0.000122 16 C 2 S 0.001404 0.000049 -0.000334 0.000108 0.000721 17 C 2 S -0.005701 0.002698 0.001834 0.004109 0.002217 18 C 2 S -0.022960 0.000642 -0.000406 -0.012826 -0.011464 19 C 2 X 0.015081 0.002906 -0.032705 0.050915 0.030956 20 C 2 Y 0.154369 -0.004506 0.011442 -0.059050 0.011321 21 C 2 Z 0.003016 0.004423 0.000039 0.003039 -0.001264 22 C 2 X -0.000455 -0.000506 -0.012610 0.003766 0.008317 23 C 2 Y 0.040281 -0.004785 0.002249 -0.031711 0.004139 24 C 2 Z 0.002991 0.003519 0.000401 -0.003641 -0.000179 25 C 2 XX -0.004572 0.000600 -0.002157 0.005186 0.001167 26 C 2 YY 0.005280 -0.000717 0.002269 -0.005435 -0.000765 27 C 2 ZZ -0.000708 0.000117 -0.000113 0.000249 -0.000402 28 C 2 XY -0.003365 0.000047 0.000363 0.000995 -0.000497 29 C 2 XZ -0.000176 -0.000183 -0.000031 0.000202 -0.000033 30 C 2 YZ -0.000904 0.001039 -0.000390 0.001293 -0.000497 31 C 3 S -0.000556 -0.000121 0.000674 0.001926 0.000068 32 C 3 S 0.042399 -0.003464 0.010110 -0.013769 -0.008201 33 C 3 S 0.035132 -0.004286 -0.008170 -0.071544 0.009276 34 C 3 X 0.030943 0.001824 0.000898 0.003406 0.011082 35 C 3 Y -0.105697 0.001233 -0.015092 0.062880 -0.004808 36 C 3 Z -0.023294 0.020616 -0.007172 0.034545 -0.003920 37 C 3 X 0.045042 0.010384 0.019329 0.028901 -0.003142 38 C 3 Y -0.050506 0.000503 -0.020200 -0.001371 0.000283 39 C 3 Z -0.001526 0.007621 -0.000491 0.012173 -0.000705 40 C 3 XX -0.006087 0.000059 -0.002369 0.001360 0.002234 41 C 3 YY 0.007219 0.000215 0.002078 -0.001927 -0.001425 42 C 3 ZZ -0.001132 -0.000274 0.000291 0.000567 -0.000809 43 C 3 XY -0.004926 -0.000762 0.002881 -0.005173 -0.001658 44 C 3 XZ -0.002597 -0.000792 -0.000254 0.000858 0.001009 45 C 3 YZ -0.001635 0.000647 -0.000470 0.001637 -0.001014 46 C 4 S 0.002750 -0.000021 0.000624 -0.002055 0.000318 47 C 4 S -0.072307 0.003562 -0.005381 0.003251 -0.009232 48 C 4 S -0.115894 0.007129 -0.017482 0.040515 -0.013681 49 C 4 X -0.016944 0.002971 -0.021042 0.029375 0.009232 50 C 4 Y 0.033143 -0.010490 0.031773 -0.096103 -0.017366 51 C 4 Z -0.078319 0.020418 -0.026008 0.079026 -0.011568 52 C 4 X -0.009301 0.000918 -0.019356 0.009458 0.012146 53 C 4 Y 0.028924 0.001956 0.030919 -0.058234 -0.012622 54 C 4 Z -0.037464 0.011277 -0.017263 0.044465 -0.007214 55 C 4 XX -0.006623 0.000674 -0.001975 0.007941 0.000484 56 C 4 YY 0.006475 -0.000012 0.001936 -0.006166 -0.000318 57 C 4 ZZ 0.000148 -0.000662 0.000040 -0.001775 -0.000166 58 C 4 XY 0.005589 0.000213 0.000304 0.000618 -0.001387 59 C 4 XZ -0.000073 -0.001762 0.000472 -0.002040 0.000248 60 C 4 YZ -0.004246 0.000345 -0.001158 0.003311 -0.000366 61 S 5 S 0.000499 -0.000017 0.000085 -0.000393 0.000011 62 S 5 S 0.003209 -0.000073 0.000686 -0.002582 0.000033 63 S 5 S -0.022220 0.002771 0.003495 0.014405 -0.000710 64 S 5 S -0.047473 0.005853 0.006688 0.031537 -0.004823 65 S 5 X -0.000081 -0.000018 -0.000617 0.000644 0.000389 66 S 5 Y 0.002051 -0.000044 0.000882 -0.001791 -0.000410 67 S 5 Z 0.000700 -0.000073 0.000539 -0.000964 -0.000159 68 S 5 X -0.002792 -0.000493 0.011724 -0.011097 -0.009423 69 S 5 Y -0.059081 0.005519 -0.025752 0.057688 0.013610 70 S 5 Z -0.033939 0.005868 -0.017402 0.042172 0.003059 71 S 5 X 0.001606 -0.000913 0.005549 -0.005792 -0.003287 72 S 5 Y -0.025320 0.000756 -0.010235 0.025363 0.005025 73 S 5 Z -0.016714 0.003602 -0.010191 0.025437 0.001904 74 S 5 XX -0.003298 0.000720 -0.003615 0.007259 0.003122 75 S 5 YY 0.006483 -0.001154 0.004088 -0.010294 -0.002899 76 S 5 ZZ -0.003185 0.000434 -0.000473 0.003035 -0.000223 77 S 5 XY 0.015685 -0.000923 0.005095 -0.011330 -0.001683 78 S 5 XZ 0.006267 -0.001291 0.003132 -0.007845 -0.000725 79 S 5 YZ -0.004101 0.000260 -0.001308 0.003071 0.000102 80 S 5 XX -0.000549 0.000108 -0.000628 0.001336 0.000544 81 S 5 YY 0.001276 -0.000201 0.000759 -0.001982 -0.000527 82 S 5 ZZ -0.000727 0.000093 -0.000132 0.000646 -0.000018 83 S 5 XY 0.002820 -0.000183 0.000965 -0.002085 -0.000333 84 S 5 XZ 0.001189 -0.000201 0.000598 -0.001382 -0.000133 85 S 5 YZ -0.000857 0.000082 -0.000302 0.000616 0.000034 86 H 6 S -0.106030 0.002782 0.012768 0.010419 -0.021574 87 H 6 S -0.039144 -0.003477 0.004916 -0.009940 -0.004584 88 H 6 X -0.006786 0.000279 -0.000230 0.002083 -0.001326 89 H 6 Y -0.004620 -0.000022 0.001423 -0.001166 -0.001136 90 H 6 Z -0.000141 0.000183 -0.000002 0.000200 -0.000251 91 C 7 S 0.001065 -0.000325 0.001244 0.001566 -0.000106 92 C 7 S -0.042510 -0.004245 0.012943 -0.030687 0.004795 93 C 7 S -0.041720 0.031237 -0.000112 -0.062324 -0.013385 94 C 7 X -0.090723 -0.004552 0.008324 -0.014977 -0.000683 95 C 7 Y -0.107239 -0.003313 0.004879 -0.031322 -0.015288 96 C 7 Z 0.007457 0.021065 0.005216 0.001780 -0.012908 97 C 7 X -0.048543 -0.004634 0.019065 -0.006504 0.010540 98 C 7 Y -0.070668 -0.027458 0.008997 -0.006808 -0.008711 99 C 7 Z 0.008939 0.010756 0.003457 0.000201 -0.008717 100 C 7 XX 0.006496 0.001344 -0.001334 0.003207 -0.002145 101 C 7 YY -0.009215 -0.000722 0.001630 -0.003899 0.001078 102 C 7 ZZ 0.002719 -0.000622 -0.000296 0.000692 0.001067 103 C 7 XY 0.003653 0.002811 -0.003059 0.009383 -0.000550 104 C 7 XZ -0.001709 -0.001460 0.000295 -0.002236 -0.000290 105 C 7 YZ -0.000765 -0.000919 0.001206 -0.003106 -0.000446 106 C 8 S -0.000661 0.000326 0.000031 0.000224 0.000265 107 C 8 S 0.027023 -0.002334 0.003230 -0.025017 0.001578 108 C 8 S 0.041476 -0.010311 0.005438 -0.023461 0.000694 109 C 8 X -0.057021 -0.020526 0.027703 -0.093016 0.004182 110 C 8 Y 0.148481 -0.004951 0.010295 -0.030927 0.025139 111 C 8 Z 0.008849 -0.001797 0.013884 -0.037459 -0.004993 112 C 8 X -0.042073 -0.006904 0.019392 -0.052898 0.005373 113 C 8 Y 0.071771 0.000196 0.003720 -0.004953 0.015348 114 C 8 Z 0.003640 -0.001076 0.005895 -0.019506 -0.001243 115 C 8 XX 0.003009 -0.000491 0.000868 -0.001787 0.000523 116 C 8 YY -0.000913 0.000511 -0.000904 0.001546 -0.000567 117 C 8 ZZ -0.002096 -0.000020 0.000036 0.000241 0.000044 118 C 8 XY -0.003066 0.000623 -0.000600 -0.000234 -0.000805 119 C 8 XZ -0.000239 -0.000112 -0.000248 0.000183 0.000070 120 C 8 YZ 0.000787 0.000166 -0.000674 0.001766 0.000135 121 C 9 S -0.001481 0.000678 0.000384 -0.000360 -0.000133 122 C 9 S 0.071458 -0.002581 0.002879 -0.016561 0.005446 123 C 9 S 0.082172 -0.020007 -0.015782 0.010972 0.005743 124 C 9 X 0.069753 0.020981 -0.027430 0.072951 -0.009596 125 C 9 Y -0.039216 0.024527 -0.040948 0.128229 -0.000591 126 C 9 Z -0.045523 0.005977 0.013918 -0.030331 -0.024106 127 C 9 X 0.047248 0.017227 -0.013752 0.045769 -0.005028 128 C 9 Y -0.020176 0.012259 -0.025404 0.080905 -0.002190 129 C 9 Z -0.020697 -0.008347 0.001155 -0.014331 -0.010154 130 C 9 XX 0.003370 -0.000519 -0.000461 0.003919 0.001994 131 C 9 YY -0.004586 -0.000217 0.000020 -0.001783 -0.001749 132 C 9 ZZ 0.001216 0.000735 0.000441 -0.002136 -0.000245 133 C 9 XY 0.008710 0.001458 -0.002000 0.007578 -0.000859 134 C 9 XZ 0.000733 -0.001044 -0.000483 0.000162 0.000061 135 C 9 YZ 0.000487 0.000526 -0.000294 0.002109 0.000391 136 C 10 S -0.001107 -0.000032 0.000635 -0.003930 -0.000165 137 C 10 S 0.062407 0.015262 -0.017609 0.045537 -0.011217 138 C 10 S 0.047290 0.001692 -0.014869 0.080559 -0.006170 139 C 10 X 0.041392 0.004940 -0.005873 0.043902 0.034161 140 C 10 Y 0.052167 -0.001434 0.011336 -0.059690 -0.017095 141 C 10 Z -0.014898 0.030558 0.001513 0.014130 -0.009690 142 C 10 X -0.003193 -0.033478 0.007223 0.026139 0.011207 143 C 10 Y 0.003700 -0.003906 0.017873 -0.024634 0.023408 144 C 10 Z -0.011286 0.025894 -0.009090 -0.001118 -0.006488 145 C 10 XX 0.004172 -0.000521 0.001132 -0.005084 -0.001904 146 C 10 YY -0.004272 0.001233 -0.002015 0.004501 0.001378 147 C 10 ZZ 0.000100 -0.000712 0.000883 0.000584 0.000526 148 C 10 XY 0.002485 -0.003240 0.000209 -0.005983 0.003015 149 C 10 XZ -0.002613 0.002432 0.004332 0.000167 -0.003126 150 C 10 YZ -0.000151 -0.001031 -0.000126 -0.001388 -0.000686 151 C 11 S -0.000419 -0.000938 -0.000454 -0.003265 -0.001017 152 C 11 S -0.051463 -0.000870 -0.018158 0.011163 0.014025 153 C 11 S -0.018330 0.015820 0.017441 0.053558 0.017550 154 C 11 X -0.001883 0.001201 -0.004429 0.066411 -0.020655 155 C 11 Y 0.005453 0.008891 -0.013928 0.084867 0.009189 156 C 11 Z -0.005498 0.030570 -0.002487 0.028079 -0.004820 157 C 11 X 0.019659 0.005003 0.009917 0.066486 -0.009858 158 C 11 Y -0.025800 -0.000526 -0.007623 0.011948 0.031514 159 C 11 Z 0.003437 0.021090 -0.001490 0.017806 -0.001109 160 C 11 XX -0.005851 -0.002209 0.001320 -0.007611 -0.001796 161 C 11 YY 0.004999 0.001976 -0.001942 0.006509 0.001156 162 C 11 ZZ 0.000851 0.000233 0.000621 0.001102 0.000640 163 C 11 XY 0.000504 0.002018 -0.001876 0.000944 0.003968 164 C 11 XZ -0.000414 0.002459 0.001974 0.000630 0.003671 165 C 11 YZ -0.000074 0.001896 0.001247 0.000782 0.000184 166 C 12 S -0.001998 0.001294 -0.001150 -0.001958 0.001770 167 C 12 S -0.007781 -0.003965 0.002625 -0.024623 -0.011901 168 C 12 S 0.012072 -0.035258 0.012124 -0.017134 -0.043872 169 C 12 X 0.004745 0.013764 -0.007104 -0.008824 -0.025327 170 C 12 Y -0.010543 0.031666 0.004116 0.066502 0.024969 171 C 12 Z 0.016714 -0.036076 -0.062367 0.030123 0.050256 172 C 12 X -0.008119 -0.002318 0.001986 -0.003857 -0.015242 173 C 12 Y 0.003538 0.009077 -0.022536 0.000002 0.018713 174 C 12 Z -0.006226 0.018694 0.031576 0.010953 -0.001510 175 C 12 XX 0.007882 -0.000466 0.000151 -0.001725 -0.007637 176 C 12 YY -0.005477 0.012351 0.024698 -0.004442 -0.013699 177 C 12 ZZ -0.002405 -0.011885 -0.024850 0.006167 0.021336 178 C 12 XY 0.003666 -0.007674 -0.003538 -0.003145 0.002741 179 C 12 XZ -0.012061 0.013245 0.009179 -0.001595 -0.005564 180 C 12 YZ 0.002572 -0.007496 -0.015102 -0.015995 0.004786 181 C 13 S 0.000456 -0.000338 -0.002055 -0.000057 -0.000522 182 C 13 S -0.002942 -0.000870 0.007034 -0.037147 -0.005207 183 C 13 S -0.014013 0.014791 0.032504 -0.076381 -0.002085 184 C 13 X -0.015174 0.018937 0.010993 -0.100119 -0.011765 185 C 13 Y 0.000917 0.007967 0.001332 0.005817 -0.027881 186 C 13 Z -0.009316 -0.061577 0.044239 -0.061459 -0.007841 187 C 13 X -0.000240 -0.007365 0.022553 -0.016769 0.001765 188 C 13 Y -0.016293 -0.005203 0.008160 0.000697 -0.008585 189 C 13 Z -0.004626 0.017859 -0.017738 -0.016846 -0.004715 190 C 13 XX -0.002277 -0.030925 0.018845 0.000739 0.003591 191 C 13 YY 0.001158 -0.000524 0.005214 -0.007457 -0.002901 192 C 13 ZZ 0.001119 0.031449 -0.024059 0.006718 -0.000690 193 C 13 XY 0.010084 -0.001270 0.002348 0.005540 -0.007131 194 C 13 XZ -0.002660 0.001634 -0.002771 -0.022781 -0.005744 195 C 13 YZ -0.011176 -0.004832 0.000404 -0.004456 0.008448 196 C 14 S 0.001893 0.001396 -0.000578 -0.001564 -0.002030 197 C 14 S 0.000423 -0.004495 0.002563 -0.034991 0.003266 198 C 14 S -0.025306 -0.024904 0.006923 -0.031677 0.027416 199 C 14 X -0.005562 0.014238 -0.005623 -0.031656 0.018490 200 C 14 Y -0.033067 -0.028298 0.011326 -0.109727 0.008144 201 C 14 Z 0.003559 -0.038903 -0.038846 0.031417 -0.060162 202 C 14 X 0.000972 0.006860 -0.009077 -0.002808 0.010357 203 C 14 Y 0.004884 -0.011082 0.005017 -0.004861 0.016525 204 C 14 Z 0.006588 0.019868 0.022193 0.001717 0.023044 205 C 14 XX -0.010346 -0.006188 -0.000294 -0.011464 0.002887 206 C 14 YY -0.004635 0.007710 0.010724 -0.012430 0.014175 207 C 14 ZZ 0.014981 -0.001522 -0.010430 0.023894 -0.017062 208 C 14 XY -0.001940 0.001581 -0.001957 -0.000388 -0.000418 209 C 14 XZ 0.010074 0.014511 0.003361 -0.005865 0.008354 210 C 14 YZ 0.001744 0.013330 0.014988 0.010794 0.028082 211 F 15 S 0.000023 0.000002 0.001697 -0.000719 -0.001257 212 F 15 S -0.001248 -0.000181 0.008357 -0.004381 -0.007239 213 F 15 S -0.003559 0.001967 0.001300 -0.003083 -0.005268 214 F 15 X -0.160031 0.088633 0.041686 -0.019598 0.012229 215 F 15 Y -0.004647 -0.139710 -0.275605 -0.181865 0.169960 216 F 15 Z -0.064597 0.130139 0.182695 -0.031456 -0.133133 217 F 15 X -0.110552 0.058222 0.031008 -0.013828 0.009590 218 F 15 Y -0.004804 -0.102755 -0.191831 -0.131799 0.113906 219 F 15 Z -0.043487 0.089706 0.126404 -0.022385 -0.091480 220 F 15 XX -0.001744 0.002073 0.001713 -0.000868 -0.001436 221 F 15 YY -0.000277 0.002274 0.003638 -0.000023 -0.002495 222 F 15 ZZ 0.002021 -0.004347 -0.005352 0.000891 0.003930 223 F 15 XY 0.000244 -0.000811 -0.002048 -0.000906 0.001156 224 F 15 XZ 0.002609 -0.000566 0.000529 0.000042 -0.001104 225 F 15 YZ 0.000296 0.002214 0.004439 0.003009 -0.002998 226 F 16 S 0.000388 -0.000662 -0.001115 -0.000991 0.000046 227 F 16 S 0.002323 -0.003451 -0.004582 -0.002352 0.000253 228 F 16 S 0.000399 -0.003111 -0.000385 0.004162 0.002828 229 F 16 X 0.010859 -0.071054 -0.051944 0.027655 0.066095 230 F 16 Y 0.059621 -0.022174 0.048791 -0.049122 -0.069961 231 F 16 Z 0.000454 0.190826 0.353922 0.036500 -0.242010 232 F 16 X 0.007521 -0.049631 -0.036478 0.021265 0.047761 233 F 16 Y 0.041000 -0.016449 0.036495 -0.035778 -0.052033 234 F 16 Z -0.000766 0.129953 0.245053 0.023850 -0.169280 235 F 16 XX 0.000694 -0.001636 -0.001632 -0.000703 0.000710 236 F 16 YY -0.001499 0.000154 -0.001953 0.000618 0.002069 237 F 16 ZZ 0.000805 0.001482 0.003585 0.000085 -0.002779 238 F 16 XY 0.000330 0.000759 0.001179 -0.000947 -0.001405 239 F 16 XZ -0.000108 0.000943 0.001727 0.000761 -0.000927 240 F 16 YZ 0.000877 -0.003880 -0.005838 -0.001828 0.003254 241 F 17 S -0.000630 -0.000900 -0.000520 -0.001215 -0.000948 242 F 17 S -0.001005 -0.004328 -0.002758 -0.004202 -0.003385 243 F 17 S 0.005680 -0.001766 -0.001715 0.003157 -0.001816 244 F 17 X -0.044188 -0.078909 -0.038688 0.090798 -0.078594 245 F 17 Y 0.099176 0.006222 -0.077430 0.129235 -0.155728 246 F 17 Z -0.044609 0.154176 0.186988 -0.031369 0.369448 247 F 17 X -0.030058 -0.055399 -0.025828 0.065876 -0.055360 248 F 17 Y 0.069362 0.006394 -0.055189 0.092865 -0.111559 249 F 17 Z -0.028998 0.105449 0.128864 -0.022454 0.256824 250 F 17 XX -0.000876 -0.001541 -0.000730 -0.001199 -0.001466 251 F 17 YY 0.002065 -0.000592 -0.002347 0.001920 -0.004775 252 F 17 ZZ -0.001189 0.002133 0.003077 -0.000722 0.006241 253 F 17 XY -0.000316 -0.001078 -0.000867 0.001518 -0.001572 254 F 17 XZ -0.000460 -0.000133 -0.000026 0.001171 0.000330 255 F 17 YZ 0.001246 0.003280 0.002075 0.002090 0.004237 256 F 18 S -0.000709 0.000001 0.001189 -0.001638 0.001401 257 F 18 S -0.003601 -0.000763 0.005434 -0.008294 0.007949 258 F 18 S -0.000081 -0.000025 -0.000963 -0.001323 0.005901 259 F 18 X 0.210153 0.108484 -0.016287 0.028505 -0.025173 260 F 18 Y 0.043974 0.100107 0.104602 0.177163 0.288310 261 F 18 Z 0.046650 0.155139 0.130792 -0.041631 0.266999 262 F 18 X 0.145880 0.071282 -0.009785 0.019465 -0.017398 263 F 18 Y 0.030582 0.074699 0.074494 0.129166 0.200376 264 F 18 Z 0.031501 0.108845 0.091866 -0.029005 0.184149 265 F 18 XX 0.001711 0.002174 0.000545 -0.001396 0.001342 266 F 18 YY -0.000150 0.002503 0.002844 0.000135 0.005905 267 F 18 ZZ -0.001561 -0.004677 -0.003389 0.001261 -0.007247 268 F 18 XY 0.001567 0.000924 0.000645 0.001009 0.001623 269 F 18 XZ -0.003622 -0.000641 0.001283 -0.001107 0.002252 270 F 18 YZ -0.000513 -0.000071 -0.000312 -0.003341 -0.002379 271 C 19 S 0.002015 -0.000410 0.000642 -0.001613 0.000497 272 C 19 S -0.018095 0.001750 -0.002236 0.007619 -0.001960 273 C 19 S -0.024620 0.003847 -0.008241 0.015495 -0.007718 274 C 19 X -0.127636 -0.006397 0.009186 -0.025427 -0.014381 275 C 19 Y -0.032543 0.020253 -0.032673 0.113458 -0.012439 276 C 19 Z -0.012332 0.001882 0.006766 -0.015311 -0.009899 277 C 19 X -0.045748 -0.002384 0.003212 -0.007989 -0.005531 278 C 19 Y -0.013124 0.007692 -0.011237 0.044102 -0.003236 279 C 19 Z -0.005586 0.001187 0.003783 -0.006407 -0.004508 280 C 19 XX -0.001782 -0.000296 0.000850 -0.002268 -0.000084 281 C 19 YY 0.002611 -0.000953 0.001193 -0.004660 0.000719 282 C 19 ZZ -0.000829 0.001250 -0.002043 0.006928 -0.000635 283 C 19 XY 0.008683 -0.000622 0.001182 -0.004464 0.001435 284 C 19 XZ 0.001244 -0.000162 -0.000302 0.000442 0.000632 285 C 19 YZ 0.000904 -0.000310 0.000474 -0.001816 0.000192 286 H 20 S -0.108643 -0.007706 0.012145 -0.036115 -0.010957 287 H 20 S -0.033082 -0.002609 0.004579 -0.012647 -0.003153 288 H 20 X 0.007446 0.000535 -0.000789 0.002457 0.000740 289 H 20 Y -0.003391 0.000409 -0.000677 0.002345 -0.000595 290 H 20 Z -0.000119 0.000042 0.000169 -0.000492 -0.000252 291 H 21 S -0.003091 0.011751 -0.024693 0.079629 0.000160 292 H 21 S -0.003055 0.003930 -0.007763 0.025974 -0.000641 293 H 21 X -0.003638 -0.000030 -0.000068 0.000355 -0.000342 294 H 21 Y 0.000099 -0.000195 0.000590 -0.001805 -0.000287 295 H 21 Z -0.000572 0.000985 -0.001728 0.005726 -0.000251 296 C 22 S -0.000996 -0.000103 0.000415 -0.000479 -0.000693 297 C 22 S 0.004584 0.000971 -0.002667 0.006221 0.003291 298 C 22 S 0.016094 0.001690 -0.005710 0.002180 0.009197 299 C 22 X 0.064294 -0.001462 0.017622 -0.041755 -0.000029 300 C 22 Y 0.009739 -0.008851 0.031018 -0.078915 -0.035128 301 C 22 Z -0.009338 0.002065 -0.005077 0.013052 -0.000353 302 C 22 X 0.020807 -0.000245 0.006992 -0.013461 -0.000525 303 C 22 Y 0.004270 -0.002627 0.011012 -0.029920 -0.012619 304 C 22 Z -0.002991 0.001240 -0.002384 0.004888 0.000033 305 C 22 XX -0.001527 0.000278 -0.001387 0.003240 0.001196 306 C 22 YY -0.002210 -0.000380 0.001072 -0.002464 -0.001959 307 C 22 ZZ 0.003737 0.000103 0.000315 -0.000776 0.000763 308 C 22 XY 0.000318 0.000484 -0.001416 0.004049 0.002024 309 C 22 XZ -0.000088 0.000132 -0.000305 0.000849 0.000169 310 C 22 YZ -0.000661 0.000077 -0.000102 0.000150 -0.000184 311 H 23 S -0.040249 0.006893 -0.030773 0.076994 0.023941 312 H 23 S -0.013267 0.002943 -0.009950 0.027392 0.007302 313 H 23 X -0.000695 0.000446 -0.001651 0.004072 0.001661 314 H 23 Y -0.002478 0.000297 -0.001418 0.003544 0.000787 315 H 23 Z -0.000383 0.000066 -0.000209 0.000595 0.000041 316 H 24 S 0.027677 0.002483 -0.000241 0.001897 0.006624 317 H 24 S 0.007619 0.001131 -0.000765 0.002664 0.002807 318 H 24 X 0.000362 -0.000241 0.000642 -0.001690 -0.000520 319 H 24 Y 0.000775 -0.000189 0.000804 -0.002069 -0.000758 320 H 24 Z -0.002476 -0.000152 -0.000147 0.000249 -0.000521 321 H 25 S 0.038260 -0.001164 0.008567 -0.021183 0.004243 322 H 25 S 0.012045 -0.000615 0.002666 -0.006830 0.001917 323 H 25 X -0.000030 -0.000020 0.000180 -0.000479 -0.000355 324 H 25 Y 0.000538 -0.000235 0.000857 -0.002149 -0.000830 325 H 25 Z 0.002968 -0.000041 0.000567 -0.001296 0.000361 326 C 26 S 0.001516 -0.000692 0.000098 0.000517 0.000433 327 C 26 S -0.022286 0.004923 0.001019 0.001414 -0.005205 328 C 26 S -0.028234 0.009389 -0.002049 -0.006387 -0.004826 329 C 26 X 0.037922 0.021447 -0.014705 0.045422 -0.006611 330 C 26 Y -0.012327 0.015703 -0.031819 0.090924 0.006234 331 C 26 Z 0.086007 -0.014924 0.002334 -0.021796 0.022609 332 C 26 X 0.010812 0.002802 -0.005208 0.020345 -0.004254 333 C 26 Y 0.001200 -0.000851 -0.009404 0.034051 0.001321 334 C 26 Z 0.035068 -0.010312 0.000643 -0.008688 0.007925 335 C 26 XX -0.003036 0.000482 0.000826 -0.001868 -0.001101 336 C 26 YY -0.005183 0.000982 -0.000874 0.003033 -0.000669 337 C 26 ZZ 0.008220 -0.001464 0.000048 -0.001165 0.001771 338 C 26 XY -0.000104 -0.000547 0.000930 -0.003797 0.000400 339 C 26 XZ 0.001463 0.000503 -0.000806 0.001400 -0.000006 340 C 26 YZ 0.002632 -0.000068 -0.000278 0.000335 0.000667 341 H 27 S -0.043726 -0.016484 0.025738 -0.070794 -0.006707 342 H 27 S -0.010968 -0.018886 0.010030 -0.012336 -0.007190 343 H 27 X -0.002159 -0.001407 0.001800 -0.003412 -0.001016 344 H 27 Y -0.003750 -0.001195 0.000849 -0.001359 -0.000626 345 H 27 Z 0.001014 -0.000809 0.000525 -0.001448 0.000185 346 H 28 S -0.063372 0.017207 -0.021363 0.067603 -0.006962 347 H 28 S -0.017990 0.005764 -0.007134 0.019630 -0.001477 348 H 28 X -0.000081 0.001176 -0.000823 0.002410 -0.000260 349 H 28 Y 0.005116 -0.000924 0.000892 -0.003284 0.000785 350 H 28 Z -0.000910 0.000580 -0.000870 0.002062 0.000254 351 H 29 S -0.004765 0.017464 -0.000468 0.010445 -0.015442 352 H 29 S -0.000153 0.005998 0.000916 0.000467 -0.004470 353 H 29 X 0.001243 -0.000908 -0.000373 0.000410 0.001263 354 H 29 Y -0.000862 0.001519 -0.001099 0.003065 -0.000421 355 H 29 Z 0.001330 0.000290 0.000118 -0.000448 0.000150 356 C 30 S -0.001909 0.000904 -0.000184 0.001634 -0.000188 357 C 30 S 0.026056 -0.005831 0.003486 -0.011530 0.003424 358 C 30 S 0.035511 -0.014251 0.001856 -0.027079 0.004594 359 C 30 X -0.000994 -0.011334 -0.015049 0.006810 0.012027 360 C 30 Y 0.037829 -0.008617 0.032062 -0.085399 -0.013043 361 C 30 Z 0.097307 -0.016197 0.015413 -0.039845 0.019542 362 C 30 X -0.000485 -0.001486 -0.000198 0.004051 0.003533 363 C 30 Y 0.015339 -0.006176 0.004839 -0.030836 -0.004417 364 C 30 Z 0.035170 -0.005969 0.001207 -0.010823 0.006294 365 C 30 XX 0.005816 -0.001081 0.001564 -0.004670 0.000084 366 C 30 YY 0.003262 -0.000330 -0.000355 0.001036 0.001323 367 C 30 ZZ -0.009078 0.001411 -0.001209 0.003634 -0.001407 368 C 30 XY -0.000122 -0.000407 -0.000183 -0.000175 0.000427 369 C 30 XZ -0.000466 -0.000038 0.000163 -0.000296 -0.000006 370 C 30 YZ -0.003311 0.000613 -0.000319 0.001774 -0.000593 371 H 31 S 0.030677 -0.005104 -0.015264 0.036874 0.020415 372 H 31 S 0.011354 -0.002690 -0.006408 0.009702 0.007043 373 H 31 X -0.000326 -0.000410 -0.000497 0.000041 0.000279 374 H 31 Y 0.003785 -0.000684 -0.000343 0.001011 0.001453 375 H 31 Z 0.000271 0.000022 0.001095 -0.002144 -0.000502 376 H 32 S 0.053224 -0.001609 0.028884 -0.054261 -0.007072 377 H 32 S 0.014286 0.007039 0.022411 -0.014567 -0.001086 378 H 32 X 0.004535 -0.000247 0.002794 -0.004599 -0.000071 379 H 32 Y -0.001960 -0.000312 -0.000849 0.000276 -0.000234 380 H 32 Z 0.000792 -0.000484 -0.000684 0.000515 0.000529 381 H 33 S 0.050916 -0.018325 0.010239 -0.050243 0.007938 382 H 33 S 0.016403 -0.006958 0.003782 -0.018440 0.003335 383 H 33 X -0.004410 0.001109 -0.001553 0.004496 -0.000271 384 H 33 Y -0.002085 0.000991 0.000608 0.000333 -0.000940 385 H 33 Z 0.001086 0.000199 0.000259 0.000108 0.000320 386 H 34 S -0.006823 0.011675 -0.011433 0.043855 -0.010386 387 H 34 S -0.002645 0.003138 -0.004374 0.014864 -0.003330 388 H 34 X -0.003751 0.000048 0.000092 -0.000065 -0.000605 389 H 34 Y 0.000085 0.000068 -0.000425 0.001200 0.000164 390 H 34 Z 0.000387 -0.000971 0.001183 -0.004273 0.000628 391 F 35 S -0.000238 0.001025 -0.000402 -0.001617 -0.000190 392 F 35 S -0.000765 0.006055 -0.002229 -0.006278 -0.001032 393 F 35 S 0.001161 0.006407 -0.002495 0.001843 -0.000935 394 F 35 X 0.032260 0.037201 -0.051233 0.090712 0.001946 395 F 35 Y -0.161885 -0.053988 0.010703 -0.011862 0.078293 396 F 35 Z -0.003013 0.414126 -0.279870 -0.053961 -0.035295 397 F 35 X 0.022879 0.028377 -0.039591 0.066875 0.000983 398 F 35 Y -0.107653 -0.036342 0.006473 -0.008008 0.054396 399 F 35 Z -0.001784 0.285322 -0.193335 -0.034286 -0.023792 400 F 35 XX 0.001006 0.001885 -0.002207 0.001999 -0.000150 401 F 35 YY -0.000851 0.000807 -0.000252 -0.001533 -0.000069 402 F 35 ZZ -0.000155 -0.002693 0.002459 -0.000466 0.000219 403 F 35 XY -0.002774 -0.000961 0.000132 0.000224 0.001058 404 F 35 XZ -0.000541 0.008044 -0.004822 -0.002960 -0.000876 405 F 35 YZ 0.001324 0.001074 -0.000572 -0.000158 -0.000546 406 F 36 S -0.000451 -0.000692 0.001876 -0.001906 0.000050 407 F 36 S -0.002676 -0.003154 0.009591 -0.007671 0.000884 408 F 36 S -0.001087 -0.005281 0.001190 0.003676 0.001248 409 F 36 X 0.034971 -0.290240 0.177743 0.260746 0.069880 410 F 36 Y 0.142880 -0.012872 0.047186 0.021107 -0.084095 411 F 36 Z 0.028179 0.157397 -0.103724 0.071667 -0.008464 412 F 36 X 0.025166 -0.202736 0.122155 0.187886 0.048543 413 F 36 Y 0.098483 -0.009341 0.030978 0.013793 -0.051530 414 F 36 Z 0.019703 0.107829 -0.069964 0.053501 -0.004115 415 F 36 XX -0.000260 -0.003419 0.002348 -0.000810 0.000130 416 F 36 YY -0.000544 -0.001862 0.000372 -0.001374 -0.000015 417 F 36 ZZ 0.000803 0.005281 -0.002720 0.002184 -0.000115 418 F 36 XY 0.000137 0.000411 -0.000191 -0.000377 0.000131 419 F 36 XZ 0.000681 -0.005873 0.003508 0.004448 0.001258 420 F 36 YZ 0.002748 -0.000745 0.001044 0.000143 -0.001658 421 C 37 S -0.000733 -0.000458 0.000006 0.000257 -0.000374 422 C 37 S -0.003169 0.000209 -0.002275 0.020532 -0.000119 423 C 37 S 0.021257 0.006765 0.001250 0.005324 0.007027 424 C 37 X 0.038619 -0.028347 0.044182 -0.105637 0.026495 425 C 37 Y -0.118905 -0.013213 0.014100 -0.055131 -0.009778 426 C 37 Z -0.029393 -0.005170 0.016303 -0.046957 -0.008719 427 C 37 X 0.010460 -0.017476 0.014222 -0.029307 0.007844 428 C 37 Y -0.025391 -0.003154 -0.000374 -0.008212 -0.003064 429 C 37 Z -0.005039 -0.002076 0.007017 -0.016146 -0.004431 430 C 37 XX 0.001320 0.000714 -0.000238 0.002964 0.000608 431 C 37 YY -0.002305 -0.000086 -0.000034 -0.002144 -0.001053 432 C 37 ZZ 0.000985 -0.000628 0.000272 -0.000820 0.000445 433 C 37 XY 0.005815 0.001236 -0.001198 0.002677 -0.000005 434 C 37 XZ 0.002042 0.000367 -0.001587 0.003810 0.000844 435 C 37 YZ 0.000511 0.000247 0.000043 -0.000572 -0.000271 436 S 38 S -0.000197 -0.000037 -0.000086 0.000237 -0.000152 437 S 38 S -0.000649 -0.000361 -0.000433 0.001459 -0.000935 438 S 38 S 0.030696 -0.007455 0.009675 -0.010174 0.005029 439 S 38 S 0.053675 -0.000941 0.016604 -0.027856 0.016017 440 S 38 X -0.001222 -0.000587 0.000451 -0.001475 -0.000019 441 S 38 Y -0.003672 -0.000286 0.000100 -0.000620 -0.000336 442 S 38 Z -0.000201 -0.000223 -0.000319 0.000322 0.000278 443 S 38 X 0.052488 0.014427 -0.019076 0.057776 -0.000823 444 S 38 Y 0.125125 0.000161 -0.004989 0.029363 0.013195 445 S 38 Z 0.009752 0.006060 0.009680 -0.017667 -0.008570 446 S 38 X 0.014742 0.012681 -0.009436 0.026383 -0.000379 447 S 38 Y 0.055000 -0.003720 -0.000945 0.014852 0.004055 448 S 38 Z 0.003267 0.004905 0.009374 -0.013838 -0.008037 449 S 38 XX 0.025278 0.003080 -0.004441 0.014693 0.000945 450 S 38 YY -0.029923 -0.001946 0.003759 -0.013512 -0.001905 451 S 38 ZZ 0.004645 -0.001134 0.000683 -0.001181 0.000960 452 S 38 XY 0.008028 -0.001257 0.001785 -0.005107 0.001583 453 S 38 XZ 0.001198 -0.000425 0.000572 -0.002686 -0.000171 454 S 38 YZ -0.001045 -0.001747 -0.000977 0.000756 0.001206 455 S 38 XX 0.004796 0.000496 -0.000845 0.002605 0.000168 456 S 38 YY -0.005690 -0.000348 0.000690 -0.002392 -0.000357 457 S 38 ZZ 0.000894 -0.000149 0.000155 -0.000212 0.000189 458 S 38 XY 0.001240 -0.000220 0.000255 -0.001020 0.000230 459 S 38 XZ 0.000219 -0.000049 0.000126 -0.000412 -0.000055 460 S 38 YZ -0.000252 -0.000253 -0.000145 0.000150 0.000194 461 H 39 S 0.048446 -0.019343 0.031158 -0.060576 0.023932 462 H 39 S 0.015485 -0.003398 0.010080 -0.020451 0.008193 463 H 39 X -0.004206 0.001543 -0.002086 0.003819 -0.001756 464 H 39 Y -0.001775 -0.000645 0.001067 -0.002750 0.000192 465 H 39 Z -0.000893 -0.000127 0.000555 -0.001726 -0.000200 76 77 78 79 80 -0.6306 -0.6183 -0.6135 -0.6095 -0.5968 A A A A A 1 C 1 S 0.000448 0.000241 0.000013 -0.000795 0.000008 2 C 1 S -0.029442 0.022393 -0.037333 -0.040490 -0.010958 3 C 1 S -0.042962 0.011215 -0.040832 -0.024763 -0.004089 4 C 1 X -0.152467 -0.057085 -0.050430 0.083930 -0.040794 5 C 1 Y 0.073046 0.056608 0.071734 0.060179 -0.013758 6 C 1 Z 0.014424 0.006458 -0.015204 -0.001975 0.012528 7 C 1 X -0.077090 -0.020015 -0.023865 0.045007 -0.033752 8 C 1 Y 0.037041 0.035783 0.037005 0.038757 -0.011828 9 C 1 Z 0.009122 0.004022 -0.003796 -0.002214 0.006372 10 C 1 XX -0.000785 -0.000803 0.001783 0.006300 -0.002078 11 C 1 YY -0.000343 0.001154 -0.002564 -0.005535 0.001683 12 C 1 ZZ 0.001128 -0.000351 0.000781 -0.000765 0.000395 13 C 1 XY -0.002739 -0.008178 0.002768 0.003424 0.004581 14 C 1 XZ 0.000247 -0.000605 -0.001997 -0.000618 0.001673 15 C 1 YZ -0.000034 0.000509 -0.001628 -0.000220 -0.000412 16 C 2 S 0.001797 0.002760 -0.001760 -0.003296 0.000874 17 C 2 S 0.006888 -0.000728 0.024761 0.046267 -0.014950 18 C 2 S -0.023788 -0.022166 0.025336 0.053838 -0.032572 19 C 2 X 0.138552 0.102387 0.022494 -0.109719 0.025234 20 C 2 Y 0.037288 0.131902 0.007587 -0.002657 -0.045936 21 C 2 Z -0.011975 0.000934 -0.011135 0.013577 -0.001742 22 C 2 X 0.044068 0.046462 0.001452 -0.038671 -0.005678 23 C 2 Y 0.012972 0.047961 -0.005336 -0.010832 -0.015081 24 C 2 Z -0.003664 0.002398 -0.001159 0.003324 -0.002677 25 C 2 XX 0.006516 0.002937 0.001660 -0.006494 0.002169 26 C 2 YY -0.005337 -0.001416 -0.001163 0.006022 -0.002471 27 C 2 ZZ -0.001179 -0.001521 -0.000498 0.000472 0.000302 28 C 2 XY -0.002483 -0.009065 0.004519 0.012505 -0.000092 29 C 2 XZ -0.000245 -0.000977 -0.000728 0.000750 0.000578 30 C 2 YZ -0.002382 -0.000048 -0.002351 0.002356 -0.000064 31 C 3 S -0.000198 0.000941 -0.000001 -0.000107 -0.001514 32 C 3 S -0.035025 -0.000669 -0.008914 -0.046390 0.017519 33 C 3 S 0.025004 0.027756 -0.028125 -0.023019 0.018865 34 C 3 X 0.025637 -0.040505 0.045101 0.121176 -0.015069 35 C 3 Y -0.010929 -0.106997 0.006389 -0.051908 0.069527 36 C 3 Z -0.041690 -0.012515 -0.035862 0.043315 0.005877 37 C 3 X 0.001654 -0.021722 0.035628 0.015082 0.010971 38 C 3 Y 0.014923 -0.039526 -0.004170 -0.043481 0.036277 39 C 3 Z -0.013357 -0.005419 -0.009533 0.009881 0.002274 40 C 3 XX 0.005795 0.002511 -0.007848 -0.011595 0.003218 41 C 3 YY -0.004325 -0.002138 0.008879 0.010693 -0.003260 42 C 3 ZZ -0.001470 -0.000373 -0.001032 0.000902 0.000042 43 C 3 XY -0.007849 -0.010693 -0.003806 0.008865 -0.000308 44 C 3 XZ -0.000121 -0.002118 -0.003356 0.000842 0.001535 45 C 3 YZ -0.002771 0.000256 -0.001891 0.003558 -0.000012 46 C 4 S 0.001016 -0.000590 0.001844 -0.000706 0.001410 47 C 4 S -0.039690 0.009460 -0.042316 0.011474 -0.024803 48 C 4 S -0.068658 0.008625 -0.086893 0.042580 -0.051777 49 C 4 X 0.046650 0.084342 -0.040236 -0.085253 -0.022588 50 C 4 Y -0.047469 0.085405 0.031174 0.006225 -0.061543 51 C 4 Z -0.082768 0.031973 -0.128393 0.082602 0.012828 52 C 4 X 0.058791 0.052213 -0.026266 -0.077588 -0.000544 53 C 4 Y -0.035702 0.050032 0.019806 0.007614 -0.036733 54 C 4 Z -0.039721 0.012291 -0.086030 0.041050 0.014662 55 C 4 XX 0.002438 -0.005245 -0.000032 -0.006127 0.006197 56 C 4 YY -0.000850 0.007250 0.005813 0.004972 -0.004040 57 C 4 ZZ -0.001588 -0.002005 -0.005781 0.001155 -0.002157 58 C 4 XY -0.006719 -0.002016 0.001531 0.001998 -0.000763 59 C 4 XZ 0.002459 -0.001359 -0.000915 -0.001845 0.001838 60 C 4 YZ -0.001092 0.004760 0.002407 0.002483 0.000362 61 S 5 S -0.000070 0.000411 -0.000352 0.000019 -0.000494 62 S 5 S -0.000509 0.002188 -0.001818 0.000336 -0.002788 63 S 5 S 0.005063 -0.041754 0.040332 0.015402 0.038567 64 S 5 S -0.003098 -0.073948 0.065116 0.020385 0.070156 65 S 5 X 0.001351 0.001006 -0.000465 -0.000817 -0.000429 66 S 5 Y -0.002116 -0.000433 0.000253 0.002466 -0.000612 67 S 5 Z -0.000444 0.000033 0.001421 0.000296 -0.000436 68 S 5 X -0.036751 -0.036940 0.012959 0.031676 0.024892 69 S 5 Y 0.067927 0.011381 -0.004918 -0.089400 0.021401 70 S 5 Z 0.003014 0.000595 -0.070074 -0.000273 0.020083 71 S 5 X -0.014477 -0.022802 0.009451 0.020844 0.018023 72 S 5 Y 0.028477 0.003798 0.000437 -0.037568 0.009038 73 S 5 Z 0.000261 -0.004146 -0.047256 0.002469 0.015381 74 S 5 XX 0.013278 0.001758 0.002603 -0.006003 0.002107 75 S 5 YY -0.012281 0.001520 -0.002420 0.005772 -0.006211 76 S 5 ZZ -0.000997 -0.003278 -0.000183 0.000231 0.004104 77 S 5 XY -0.009144 0.001248 0.004952 0.017606 -0.002339 78 S 5 XZ -0.001132 -0.001095 0.009129 0.001205 -0.001620 79 S 5 YZ 0.000171 0.001901 -0.003285 -0.001803 -0.000495 80 S 5 XX 0.002283 0.000241 0.000558 -0.000993 0.000496 81 S 5 YY -0.002255 0.000373 -0.000500 0.001067 -0.001297 82 S 5 ZZ -0.000028 -0.000614 -0.000058 -0.000075 0.000802 83 S 5 XY -0.001741 0.000159 0.000952 0.003271 -0.000372 84 S 5 XZ -0.000285 -0.000217 0.001630 0.000242 -0.000322 85 S 5 YZ 0.000110 0.000375 -0.000810 -0.000366 -0.000029 86 H 6 S -0.095435 -0.143443 0.001373 0.099377 0.004855 87 H 6 S -0.028556 -0.045526 -0.007125 0.034954 0.004003 88 H 6 X -0.002840 -0.007056 0.000440 0.003370 0.001328 89 H 6 Y -0.006275 -0.007084 -0.000434 0.006888 -0.000842 90 H 6 Z -0.000573 -0.000303 -0.000326 0.000612 -0.000085 91 C 7 S 0.000361 0.000021 0.000260 -0.000785 -0.000947 92 C 7 S 0.027566 0.029242 -0.055064 -0.007993 0.018262 93 C 7 S -0.019530 -0.000708 -0.046505 -0.014511 0.033988 94 C 7 X 0.030985 -0.051791 0.071493 0.089170 0.047689 95 C 7 Y -0.022125 0.000036 0.042370 -0.073419 -0.024179 96 C 7 Z -0.058682 0.087062 0.013305 0.015113 -0.015316 97 C 7 X 0.031124 0.002379 0.014419 0.044800 0.019955 98 C 7 Y -0.004614 0.009474 0.029264 -0.056202 -0.013391 99 C 7 Z -0.033147 0.031272 0.012041 0.001490 -0.008948 100 C 7 XX -0.007190 0.002925 -0.005957 -0.004857 0.003749 101 C 7 YY 0.006595 -0.000297 0.006172 0.003308 -0.003919 102 C 7 ZZ 0.000595 -0.002628 -0.000215 0.001549 0.000170 103 C 7 XY -0.003217 0.006018 -0.002603 -0.001419 -0.001230 104 C 7 XZ 0.000627 0.003233 0.002411 0.000309 -0.001016 105 C 7 YZ 0.002019 -0.000485 0.002282 -0.001650 0.003161 106 C 8 S 0.000589 0.000023 -0.000225 -0.000564 -0.000626 107 C 8 S 0.003017 0.020417 -0.033142 -0.043802 -0.013563 108 C 8 S -0.000138 0.009033 -0.042458 -0.022383 0.001450 109 C 8 X 0.051892 -0.048681 -0.002164 -0.026466 -0.031217 110 C 8 Y 0.059370 -0.027755 -0.171154 0.032469 0.051477 111 C 8 Z -0.008692 0.077214 0.037075 0.023122 0.121031 112 C 8 X 0.037879 -0.037355 0.000772 -0.001106 -0.019341 113 C 8 Y 0.030415 -0.000890 -0.097512 0.008279 0.029273 114 C 8 Z -0.005105 0.047260 0.021393 0.012944 0.066679 115 C 8 XX 0.002960 -0.003715 0.002713 0.002788 -0.001099 116 C 8 YY -0.003305 0.004520 -0.004281 -0.002926 0.000309 117 C 8 ZZ 0.000345 -0.000805 0.001568 0.000138 0.000790 118 C 8 XY -0.002061 0.003635 -0.001547 -0.007721 -0.004836 119 C 8 XZ 0.000059 0.000248 0.000139 -0.000337 0.002700 120 C 8 YZ 0.000047 -0.000203 -0.000634 -0.001290 0.008436 121 C 9 S -0.001362 0.002096 -0.000573 0.001236 0.000187 122 C 9 S 0.016884 -0.029778 -0.001853 -0.028435 -0.008116 123 C 9 S 0.031510 -0.061696 0.002316 -0.064868 -0.010686 124 C 9 X -0.076182 0.082513 -0.030733 -0.076199 -0.048475 125 C 9 Y -0.037143 0.012999 -0.061929 0.035942 0.054634 126 C 9 Z -0.082491 0.147627 0.036249 0.070601 -0.011692 127 C 9 X -0.057904 0.051940 -0.023410 -0.024446 -0.028436 128 C 9 Y -0.036093 0.002466 -0.033977 0.033143 0.015883 129 C 9 Z -0.039617 0.096841 0.039268 0.040889 -0.000613 130 C 9 XX 0.004968 -0.001869 -0.006476 0.009339 0.007783 131 C 9 YY -0.003733 0.004171 0.010437 -0.006805 -0.006269 132 C 9 ZZ -0.001234 -0.002302 -0.003961 -0.002534 -0.001513 133 C 9 XY -0.007715 0.001391 -0.000588 -0.000925 -0.001207 134 C 9 XZ 0.001258 -0.000458 0.000330 -0.002619 0.002493 135 C 9 YZ 0.002061 0.001609 0.006209 -0.001046 0.003801 136 C 10 S 0.001532 -0.001774 -0.001912 0.000700 0.001510 137 C 10 S -0.049348 -0.003761 0.023441 -0.012506 -0.019269 138 C 10 S -0.083880 -0.001576 0.063584 -0.061583 -0.032719 139 C 10 X 0.078430 0.063783 -0.069797 0.080311 -0.008201 140 C 10 Y -0.073876 0.050287 -0.121484 -0.152928 0.006984 141 C 10 Z -0.044863 0.027382 0.014914 0.024029 -0.009566 142 C 10 X 0.068457 0.053415 -0.034216 0.038246 0.000670 143 C 10 Y 0.022678 0.061843 -0.080306 -0.023249 -0.014501 144 C 10 Z -0.019712 0.010921 -0.000328 0.020086 -0.002716 145 C 10 XX -0.009078 -0.001834 -0.003577 -0.007200 0.005173 146 C 10 YY 0.005822 0.001549 0.004387 0.005689 -0.004970 147 C 10 ZZ 0.003256 0.000285 -0.000810 0.001511 -0.000204 148 C 10 XY 0.003040 0.007158 -0.008959 0.002027 -0.002243 149 C 10 XZ -0.002169 0.003133 0.001749 0.001059 0.000169 150 C 10 YZ 0.000185 0.001773 0.002550 -0.000231 -0.000076 151 C 11 S -0.003992 -0.003039 -0.001240 0.000819 0.001193 152 C 11 S 0.055411 0.040929 -0.013877 -0.006653 -0.020765 153 C 11 S 0.108183 0.088028 -0.015962 0.008049 -0.044469 154 C 11 X -0.062770 -0.066935 0.035612 -0.103812 0.074053 155 C 11 Y 0.024792 -0.069256 0.129843 0.150716 -0.008979 156 C 11 Z -0.042123 0.003795 -0.007579 0.021824 -0.000549 157 C 11 X -0.075660 -0.055261 0.039838 -0.059101 0.041496 158 C 11 Y 0.050347 0.001519 0.019960 0.113393 -0.018994 159 C 11 Z -0.025223 0.001601 -0.003676 0.013882 0.000063 160 C 11 XX -0.000210 -0.000363 -0.009932 -0.007321 0.003006 161 C 11 YY 0.001872 0.002033 0.008076 0.007473 -0.003721 162 C 11 ZZ -0.001662 -0.001671 0.001855 -0.000152 0.000715 163 C 11 XY 0.008054 0.003491 -0.004059 0.008255 -0.003681 164 C 11 XZ -0.002992 -0.000426 -0.003377 0.001375 0.000445 165 C 11 YZ -0.001015 0.001754 0.001954 0.001598 -0.000875 166 C 12 S 0.000271 -0.000009 -0.000750 -0.000099 -0.000239 167 C 12 S -0.033483 -0.028066 0.006168 -0.041099 0.025386 168 C 12 S -0.051738 -0.032501 0.014845 -0.077186 0.046439 169 C 12 X -0.078493 -0.022533 0.031973 -0.077689 -0.011474 170 C 12 Y 0.088011 0.058232 -0.001159 0.082592 -0.061762 171 C 12 Z 0.037519 0.033532 -0.001326 0.041969 -0.034194 172 C 12 X 0.005547 -0.007266 0.002111 -0.004030 0.009661 173 C 12 Y 0.000994 -0.002427 0.006369 0.023563 -0.010336 174 C 12 Z 0.007352 0.001457 -0.000449 0.002251 -0.004611 175 C 12 XX -0.020986 -0.004278 0.004602 -0.018979 -0.000829 176 C 12 YY 0.005086 -0.003367 -0.004372 0.005067 0.007003 177 C 12 ZZ 0.015900 0.007644 -0.000230 0.013912 -0.006174 178 C 12 XY 0.001293 0.001591 -0.007101 -0.001608 0.005381 179 C 12 XZ 0.005808 0.000557 -0.002614 0.002468 0.001569 180 C 12 YZ -0.017908 -0.010138 0.000841 -0.014345 0.008343 181 C 13 S -0.000529 0.001138 -0.001120 -0.001213 -0.000185 182 C 13 S -0.013021 -0.011461 -0.029627 -0.011688 0.034041 183 C 13 S -0.012657 -0.045902 -0.039562 0.004460 0.074286 184 C 13 X -0.027614 -0.026959 -0.059097 -0.019661 0.062716 185 C 13 Y -0.017029 -0.025542 0.025487 -0.035729 0.022697 186 C 13 Z -0.027506 -0.023006 -0.039941 -0.019340 0.047891 187 C 13 X -0.005062 -0.012692 -0.012993 -0.000557 0.025244 188 C 13 Y 0.011270 0.003765 -0.005109 0.000229 -0.000167 189 C 13 Z 0.001303 -0.008695 -0.004822 0.006004 0.012182 190 C 13 XX -0.003676 0.002714 -0.003342 -0.002477 -0.001815 191 C 13 YY -0.003088 -0.005577 -0.004312 -0.000340 0.008752 192 C 13 ZZ 0.006763 0.002863 0.007654 0.002817 -0.006937 193 C 13 XY -0.006993 -0.006021 0.008099 -0.008300 0.002892 194 C 13 XZ -0.005802 -0.005785 -0.009200 -0.004158 0.009998 195 C 13 YZ -0.003931 -0.003111 0.000017 -0.003726 0.004093 196 C 14 S -0.000189 -0.000542 0.000250 -0.000442 0.000669 197 C 14 S 0.015282 0.019890 -0.039579 0.015476 -0.006040 198 C 14 S 0.007166 0.038663 -0.069044 0.025679 -0.020585 199 C 14 X 0.052305 0.070571 -0.043316 0.004666 -0.054607 200 C 14 Y 0.041757 0.052471 -0.106263 0.030200 -0.004146 201 C 14 Z 0.009175 -0.003424 0.024834 -0.008987 -0.006222 202 C 14 X -0.002975 -0.004312 -0.001566 0.009158 -0.000283 203 C 14 Y -0.015707 0.006217 -0.016951 -0.004609 -0.001674 204 C 14 Z -0.002339 -0.001753 0.002326 -0.004078 0.002183 205 C 14 XX 0.010052 0.016011 -0.015685 -0.001317 -0.007605 206 C 14 YY -0.002495 -0.002275 -0.004615 0.003856 0.005253 207 C 14 ZZ -0.007557 -0.013737 0.020300 -0.002539 0.002352 208 C 14 XY 0.009092 0.008205 0.001161 0.004540 -0.008994 209 C 14 XZ -0.003425 0.000033 -0.003503 0.001412 0.000397 210 C 14 YZ -0.012304 -0.005440 0.008349 -0.001893 0.001207 211 F 15 S -0.001602 -0.000946 0.000049 -0.001488 0.000856 212 F 15 S -0.005293 -0.003230 -0.000324 -0.004280 0.002461 213 F 15 S 0.007097 0.003600 -0.002612 0.008346 -0.003811 214 F 15 X 0.192066 0.009837 -0.061067 0.082680 0.020169 215 F 15 Y -0.183302 -0.084892 0.021968 -0.062044 0.069779 216 F 15 Z -0.014807 -0.039708 -0.017266 -0.055896 0.042367 217 F 15 X 0.136474 0.007483 -0.044219 0.059181 0.014576 218 F 15 Y -0.129222 -0.060171 0.012983 -0.045545 0.052154 219 F 15 Z -0.013535 -0.029911 -0.011152 -0.042727 0.031638 220 F 15 XX -0.000033 -0.000632 -0.000263 -0.000844 0.000553 221 F 15 YY -0.000622 -0.000610 -0.000080 -0.001168 0.000551 222 F 15 ZZ 0.000655 0.001242 0.000343 0.002012 -0.001104 223 F 15 XY -0.001045 -0.000257 0.000183 -0.000199 0.000218 224 F 15 XZ -0.003547 -0.000434 0.000887 -0.001581 0.000114 225 F 15 YZ 0.002965 0.001223 -0.000378 0.000718 -0.000848 226 F 16 S -0.001671 -0.000680 0.000192 -0.001105 0.000470 227 F 16 S -0.006102 -0.001117 0.000533 -0.002333 0.001665 228 F 16 S 0.004205 0.005101 -0.001919 0.004225 -0.001686 229 F 16 X 0.107555 0.032925 -0.010324 0.150291 0.023488 230 F 16 Y -0.097216 -0.058041 -0.002923 -0.096895 0.060705 231 F 16 Z 0.024803 -0.031255 -0.019556 -0.045676 0.023883 232 F 16 X 0.075784 0.023275 -0.005787 0.108311 0.016617 233 F 16 Y -0.069595 -0.041974 -0.002157 -0.069883 0.045166 234 F 16 Z 0.017263 -0.021693 -0.014956 -0.034532 0.017652 235 F 16 XX -0.001131 -0.000396 0.000154 -0.000587 0.000536 236 F 16 YY 0.001805 0.000973 0.000079 0.001850 -0.000940 237 F 16 ZZ -0.000674 -0.000577 -0.000233 -0.001263 0.000403 238 F 16 XY -0.001972 -0.000830 -0.000201 -0.002615 0.000132 239 F 16 XZ 0.001493 0.000355 -0.000125 0.001286 0.000063 240 F 16 YZ -0.002560 -0.000588 0.000442 -0.001026 0.000636 241 F 17 S 0.000978 0.000948 -0.001241 0.000324 -0.000386 242 F 17 S 0.005095 0.004264 -0.003045 0.000066 -0.000622 243 F 17 S 0.000192 -0.001141 0.005950 -0.004641 0.003103 244 F 17 X -0.057300 -0.092619 0.075558 0.019516 0.062073 245 F 17 Y -0.049651 -0.078356 0.112623 -0.005439 0.009204 246 F 17 Z -0.055758 0.001845 -0.002284 -0.012396 0.009972 247 F 17 X -0.039831 -0.065260 0.054638 0.015716 0.043853 248 F 17 Y -0.033818 -0.056642 0.082568 -0.004147 0.006869 249 F 17 Z -0.039685 0.001267 -0.001959 -0.009633 0.007253 250 F 17 XX 0.000941 0.000902 -0.001314 0.000181 -0.000236 251 F 17 YY -0.000404 -0.001292 0.001466 0.000251 0.000191 252 F 17 ZZ -0.000537 0.000390 -0.000152 -0.000431 0.000044 253 F 17 XY -0.000338 -0.000798 0.001057 0.000302 0.000367 254 F 17 XZ -0.000825 -0.000954 0.000971 0.000212 0.000481 255 F 17 YZ -0.002045 -0.001516 0.002218 -0.000452 0.000396 256 F 18 S 0.000387 0.000863 -0.001624 0.000187 -0.000040 257 F 18 S 0.000655 0.002312 -0.004726 0.000330 0.000506 258 F 18 S -0.005403 -0.005488 0.007511 -0.002079 0.002663 259 F 18 X -0.070939 -0.123641 0.085718 -0.008090 0.068318 260 F 18 Y -0.121333 -0.065135 0.132807 -0.059233 -0.000221 261 F 18 Z -0.061313 -0.003571 -0.027154 -0.009705 0.012397 262 F 18 X -0.050958 -0.088955 0.061336 -0.005954 0.050196 263 F 18 Y -0.082416 -0.046169 0.097497 -0.041605 -0.001626 264 F 18 Z -0.039788 -0.000719 -0.020782 -0.005652 0.007539 265 F 18 XX -0.000191 0.000052 -0.000735 0.000105 0.000123 266 F 18 YY -0.001118 0.000175 -0.000194 -0.000320 -0.000086 267 F 18 ZZ 0.001309 -0.000227 0.000929 0.000215 -0.000038 268 F 18 XY -0.000888 -0.000791 0.001011 -0.000316 0.000201 269 F 18 XZ 0.000702 0.001967 -0.001858 0.000182 -0.000797 270 F 18 YZ 0.001613 0.001207 -0.002363 0.000817 -0.000046 271 C 19 S 0.001568 -0.000711 -0.002068 0.000344 0.000355 272 C 19 S -0.005674 0.002623 0.005666 -0.002720 -0.001666 273 C 19 S -0.021125 0.009384 0.025328 -0.011963 -0.008316 274 C 19 X 0.001499 -0.049910 0.171328 -0.029637 -0.127249 275 C 19 Y -0.071594 0.036512 0.044466 0.034795 0.008497 276 C 19 Z -0.026215 0.114077 0.100072 0.033759 0.301524 277 C 19 X -0.000007 -0.017315 0.068585 -0.017140 -0.056049 278 C 19 Y -0.025134 0.014362 0.011923 0.017588 0.005732 279 C 19 Z -0.010622 0.048522 0.042235 0.014623 0.137054 280 C 19 XX 0.001597 -0.002620 0.005012 -0.000359 -0.003920 281 C 19 YY 0.002860 -0.001163 -0.005930 -0.001755 -0.000947 282 C 19 ZZ -0.004457 0.003783 0.000919 0.002114 0.004866 283 C 19 XY 0.003823 -0.000122 -0.010737 -0.000154 0.003827 284 C 19 XZ 0.001653 -0.005220 -0.004771 -0.001486 -0.011203 285 C 19 YZ 0.000915 0.001725 0.000743 0.000233 0.010551 286 H 20 S 0.010669 -0.046590 0.143974 -0.029630 -0.106047 287 H 20 S 0.005385 -0.019145 0.049875 -0.004762 -0.035607 288 H 20 X -0.000656 0.002775 -0.009100 0.002104 0.006281 289 H 20 Y -0.001878 0.000198 0.003926 0.000091 -0.002050 290 H 20 Z -0.000809 0.003704 0.002805 0.001102 0.009587 291 H 21 S -0.026748 -0.044278 -0.061049 0.000238 -0.176993 292 H 21 S -0.009944 -0.014962 -0.017866 0.000982 -0.064639 293 H 21 X -0.000089 -0.002476 0.003585 -0.000898 -0.006534 294 H 21 Y -0.000264 0.003952 0.004392 0.000838 0.011615 295 H 21 Z -0.002729 -0.000109 -0.001704 0.001098 -0.003968 296 C 22 S -0.002524 -0.001497 -0.001245 -0.000423 0.000069 297 C 22 S 0.013127 0.005267 0.003584 -0.002025 0.000063 298 C 22 S 0.031107 0.021914 0.010974 0.000326 -0.002225 299 C 22 X -0.017226 0.030214 0.038756 0.158447 -0.095501 300 C 22 Y -0.155068 -0.036759 -0.085149 0.035241 -0.066530 301 C 22 Z -0.005204 -0.005778 -0.050136 -0.006253 0.033753 302 C 22 X -0.009386 0.009255 0.014707 0.067331 -0.040870 303 C 22 Y -0.058429 -0.014184 -0.031793 0.017173 -0.027619 304 C 22 Z -0.002116 -0.002453 -0.021134 -0.002632 0.015048 305 C 22 XX 0.005466 0.001279 0.001764 -0.003335 0.002595 306 C 22 YY -0.007837 -0.004192 -0.005631 -0.004619 0.001946 307 C 22 ZZ 0.002371 0.002913 0.003867 0.007953 -0.004540 308 C 22 XY 0.008656 0.001623 0.005759 -0.000916 0.004194 309 C 22 XZ 0.000471 -0.000058 -0.001750 0.000319 0.001771 310 C 22 YZ -0.000828 -0.000457 -0.001536 -0.000903 0.000618 311 H 23 S 0.114852 0.006633 0.035796 -0.114549 0.100520 312 H 23 S 0.036212 -0.001876 0.014732 -0.036470 0.037037 313 H 23 X 0.007441 0.001760 0.003403 -0.003199 0.003548 314 H 23 Y 0.004235 -0.000483 0.000529 -0.006966 0.005177 315 H 23 Z 0.000124 -0.000160 -0.001425 -0.000390 0.001262 316 H 24 S 0.016783 0.020262 -0.000301 0.073984 -0.018520 317 H 24 S 0.008201 0.006805 0.000069 0.026295 -0.004596 318 H 24 X -0.001996 -0.000339 0.000939 0.000400 -0.001952 319 H 24 Y -0.003578 -0.000542 -0.002042 0.002126 -0.002082 320 H 24 Z -0.001465 -0.001637 -0.001586 -0.006001 0.002407 321 H 25 S 0.012679 0.024345 0.063094 0.077249 -0.067910 322 H 25 S 0.006945 0.008971 0.025983 0.026795 -0.024191 323 H 25 X -0.001651 -0.000401 -0.002430 0.000692 0.000527 324 H 25 Y -0.003779 -0.000669 -0.001719 0.001553 -0.002242 325 H 25 Z 0.001000 0.001720 0.003860 0.006323 -0.004451 326 C 26 S 0.002460 -0.003402 0.000191 -0.001471 -0.000006 327 C 26 S -0.019860 0.022889 -0.000042 0.011960 0.001054 328 C 26 S -0.035082 0.059499 0.007265 0.024852 0.002857 329 C 26 X -0.061674 0.073126 -0.032898 -0.054432 -0.066236 330 C 26 Y -0.016928 -0.059889 -0.130276 0.026478 0.023771 331 C 26 Z 0.090932 -0.136586 0.002681 -0.085093 -0.005689 332 C 26 X -0.020439 0.028299 -0.013419 -0.021835 -0.028152 333 C 26 Y -0.001980 -0.021469 -0.047708 0.006930 0.009992 334 C 26 Z 0.031098 -0.048238 0.005391 -0.027448 -0.001224 335 C 26 XX -0.003602 0.008579 0.004381 0.000739 -0.001734 336 C 26 YY -0.003027 0.002793 -0.002844 0.004903 0.002385 337 C 26 ZZ 0.006629 -0.011372 -0.001538 -0.005642 -0.000650 338 C 26 XY 0.002818 -0.001415 0.003950 0.000412 0.001764 339 C 26 XZ -0.000569 0.000470 -0.000963 -0.001903 -0.000032 340 C 26 YZ 0.002329 -0.001958 0.002048 -0.002900 0.000759 341 H 27 S 0.018574 0.029617 0.093893 0.041788 0.030707 342 H 27 S 0.005974 0.010727 0.036140 0.013414 0.009705 343 H 27 X -0.000754 0.004092 0.006101 0.001948 0.000236 344 H 27 Y 0.000089 0.000080 0.002059 0.004074 0.002704 345 H 27 Z 0.002174 -0.001956 0.002446 -0.001177 0.000403 346 H 28 S -0.052963 0.014494 -0.092702 0.069228 0.027693 347 H 28 S -0.019120 0.002445 -0.033550 0.029276 0.008258 348 H 28 X -0.003026 0.002497 -0.002602 -0.000225 -0.001432 349 H 28 Y 0.004168 -0.003276 0.003704 -0.005360 -0.002198 350 H 28 Z -0.000371 -0.002510 -0.004288 0.001254 0.001126 351 H 29 S -0.074279 0.123775 0.017526 -0.017633 -0.054031 352 H 29 S -0.024126 0.040207 0.009631 -0.004164 -0.016684 353 H 29 X 0.005010 -0.009001 -0.002315 0.000101 0.002914 354 H 29 Y -0.003920 0.003276 -0.003693 0.000468 -0.001390 355 H 29 Z 0.000248 0.000434 0.001076 -0.002434 -0.001508 356 C 30 S -0.000971 0.001760 -0.001822 0.001861 0.000874 357 C 30 S 0.018409 -0.011191 0.012636 -0.011565 -0.003003 358 C 30 S 0.021234 -0.016821 0.038877 -0.026571 -0.011817 359 C 30 X 0.069514 0.059863 -0.036554 -0.127917 0.001476 360 C 30 Y -0.022606 0.112250 0.114022 0.010978 -0.056095 361 C 30 Z 0.100224 -0.072672 0.110341 -0.072771 0.024660 362 C 30 X 0.025493 0.018859 -0.013784 -0.047659 0.001791 363 C 30 Y -0.005525 0.041695 0.042986 0.000068 -0.024559 364 C 30 Z 0.037107 -0.023506 0.037876 -0.027338 0.011611 365 C 30 XX 0.002199 0.002172 0.009259 -0.001001 -0.001453 366 C 30 YY 0.005572 -0.005613 0.001189 -0.003879 0.003349 367 C 30 ZZ -0.007771 0.003441 -0.010448 0.004881 -0.001897 368 C 30 XY 0.002850 0.002802 -0.001429 -0.005097 -0.000008 369 C 30 XZ -0.000111 -0.001404 -0.000770 0.000629 0.000857 370 C 30 YZ -0.003305 0.002913 -0.000978 0.003321 -0.000849 371 H 31 S 0.073357 -0.117629 -0.031033 -0.052628 0.050180 372 H 31 S 0.024792 -0.045048 -0.009383 -0.021689 0.017166 373 H 31 X 0.001710 0.002537 -0.001022 -0.003601 -0.000177 374 H 31 Y 0.005719 -0.007165 0.000840 -0.004058 0.002628 375 H 31 Z -0.001106 0.004043 0.003886 0.000941 -0.001590 376 H 32 S -0.022900 -0.017812 0.110340 0.070929 -0.019903 377 H 32 S -0.001139 -0.008322 0.038272 0.028367 -0.004825 378 H 32 X 0.000896 -0.000421 0.007921 0.002292 -0.001346 379 H 32 Y -0.000513 0.004929 -0.001698 -0.002844 -0.000589 380 H 32 Z 0.002422 -0.001695 -0.000891 -0.003472 0.001196 381 H 33 S 0.067189 0.073137 0.060527 -0.104221 -0.019709 382 H 33 S 0.022788 0.026208 0.022948 -0.033644 -0.002939 383 H 33 X -0.003241 -0.004094 -0.006010 0.004501 0.001813 384 H 33 Y -0.004739 -0.000131 0.000251 0.006476 -0.000323 385 H 33 Z 0.001038 -0.003425 0.000895 0.000289 0.000820 386 H 34 S -0.051338 0.109949 0.060050 0.043375 0.256008 387 H 34 S -0.016957 0.035772 0.024043 0.015123 0.090277 388 H 34 X -0.000973 0.001230 0.006152 0.000273 0.002413 389 H 34 Y 0.000305 -0.003638 -0.002137 -0.001019 -0.010936 390 H 34 Z 0.003668 -0.005984 -0.002392 -0.002819 -0.012519 391 F 35 S -0.000149 -0.000644 -0.000504 0.000037 0.000741 392 F 35 S -0.000175 -0.002364 -0.001342 0.000511 0.002105 393 F 35 S 0.001335 0.001478 0.001544 -0.000007 -0.002059 394 F 35 X 0.034230 0.024518 0.061321 0.018709 -0.061429 395 F 35 Y 0.035137 0.038450 -0.037805 0.041640 -0.023868 396 F 35 Z 0.061055 -0.002654 0.041155 0.027125 -0.029930 397 F 35 X 0.025273 0.018831 0.045087 0.013725 -0.046007 398 F 35 Y 0.022108 0.025810 -0.025254 0.028974 -0.016510 399 F 35 Z 0.042074 0.000014 0.030316 0.018415 -0.024134 400 F 35 XX 0.001037 0.000444 0.001475 0.000606 -0.001284 401 F 35 YY -0.000282 -0.000241 -0.000768 -0.000237 0.000646 402 F 35 ZZ -0.000755 -0.000204 -0.000707 -0.000369 0.000637 403 F 35 XY 0.000461 0.000430 -0.000148 0.000427 -0.000327 404 F 35 XZ 0.000469 -0.000510 -0.000287 -0.000044 0.000507 405 F 35 YZ -0.000233 -0.000254 0.000218 -0.000195 0.000132 406 F 36 S -0.000601 -0.000569 -0.001032 -0.000548 0.001077 407 F 36 S -0.002882 -0.001617 -0.003565 -0.001340 0.002694 408 F 36 S -0.000456 0.002744 0.002862 0.002713 -0.005741 409 F 36 X 0.009483 0.053806 0.053264 0.017103 -0.060410 410 F 36 Y 0.046215 0.036634 -0.039359 0.052106 -0.025443 411 F 36 Z 0.047450 0.027277 0.051349 0.029388 -0.055679 412 F 36 X 0.007561 0.039687 0.039775 0.012604 -0.045729 413 F 36 Y 0.032456 0.027432 -0.028678 0.038783 -0.019250 414 F 36 Z 0.033043 0.020904 0.037209 0.020933 -0.041830 415 F 36 XX -0.000679 -0.000305 -0.000840 -0.000432 0.000760 416 F 36 YY -0.000703 -0.000482 -0.000665 -0.000414 0.000758 417 F 36 ZZ 0.001382 0.000787 0.001505 0.000845 -0.001519 418 F 36 XY -0.000092 -0.000101 -0.000007 -0.000103 0.000094 419 F 36 XZ -0.000053 0.000824 0.000512 0.000151 -0.000586 420 F 36 YZ 0.000626 0.000411 -0.000709 0.000587 -0.000085 421 C 37 S -0.001063 0.001246 0.001063 -0.002495 -0.002983 422 C 37 S -0.007917 -0.003791 0.010067 0.031734 0.019141 423 C 37 S 0.016398 0.001921 -0.022479 0.031055 0.052635 424 C 37 X 0.117179 -0.108141 -0.046282 0.114444 0.072785 425 C 37 Y 0.010778 -0.027984 0.093825 -0.047375 -0.063625 426 C 37 Z -0.011721 0.065913 0.059749 0.019663 0.047637 427 C 37 X 0.035012 -0.041075 -0.008350 0.052144 0.025123 428 C 37 Y -0.003082 0.007784 0.026957 -0.031600 -0.030427 429 C 37 Z -0.005454 0.026788 0.024737 0.005869 0.024228 430 C 37 XX 0.001217 -0.002442 -0.002762 0.009835 0.007896 431 C 37 YY -0.002645 0.002745 0.003157 -0.008940 -0.008946 432 C 37 ZZ 0.001427 -0.000303 -0.000395 -0.000896 0.001049 433 C 37 XY -0.002389 0.002789 -0.006741 -0.001860 0.000460 434 C 37 XZ 0.001266 -0.004485 -0.004358 -0.002647 -0.002873 435 C 37 YZ -0.000700 0.004196 0.003206 -0.001709 0.007059 436 S 38 S -0.000494 0.000521 -0.000355 -0.000845 0.000156 437 S 38 S -0.002957 0.002607 -0.001806 -0.005100 0.000756 438 S 38 S 0.026458 -0.055339 0.049056 0.041279 -0.018090 439 S 38 S 0.061092 -0.099197 0.069412 0.096339 -0.032180 440 S 38 X 0.000736 -0.001022 0.000471 -0.000269 -0.000204 441 S 38 Y -0.000290 0.000780 0.000978 -0.001378 -0.000268 442 S 38 Z 0.000365 -0.000840 -0.000447 -0.000120 -0.000862 443 S 38 X -0.030704 0.041388 -0.028629 0.010362 0.028776 444 S 38 Y 0.015705 -0.038319 -0.019529 0.068883 0.010329 445 S 38 Z -0.024057 0.071240 0.035321 0.013359 0.045623 446 S 38 X -0.014936 0.021397 -0.011852 0.000887 0.006023 447 S 38 Y 0.004405 -0.025202 -0.001815 0.031612 0.002914 448 S 38 Z -0.014506 0.047915 0.027302 0.007964 0.032864 449 S 38 XX -0.005814 0.006528 -0.007336 0.004797 0.003053 450 S 38 YY 0.002649 0.000198 0.004888 -0.010555 -0.002492 451 S 38 ZZ 0.003165 -0.006726 0.002448 0.005758 -0.000561 452 S 38 XY 0.004096 -0.001257 -0.012260 -0.003290 -0.000618 453 S 38 XZ -0.001077 0.007430 0.003599 0.001873 0.009994 454 S 38 YZ 0.004740 -0.008741 -0.002886 -0.002530 0.000435 455 S 38 XX -0.001155 0.001174 -0.001459 0.000801 0.000690 456 S 38 YY 0.000527 0.000023 0.000985 -0.001909 -0.000545 457 S 38 ZZ 0.000627 -0.001197 0.000474 0.001108 -0.000145 458 S 38 XY 0.000578 -0.000108 -0.002103 -0.000778 -0.000012 459 S 38 XZ -0.000170 0.001162 0.000533 0.000275 0.001608 460 S 38 YZ 0.000753 -0.001237 -0.000468 -0.000271 0.000169 461 H 39 S 0.091221 -0.089352 -0.049065 0.127671 0.088710 462 H 39 S 0.031987 -0.031025 -0.016935 0.043130 0.033072 463 H 39 X -0.006244 0.006243 0.003787 -0.009080 -0.006348 464 H 39 Y 0.001931 -0.003103 0.001832 0.001559 -0.000359 465 H 39 Z -0.000315 0.002432 0.001894 0.001109 0.002399 81 82 83 84 85 -0.5945 -0.5886 -0.5844 -0.5815 -0.5639 A A A A A 1 C 1 S -0.000240 -0.000399 -0.000270 -0.000450 -0.000856 2 C 1 S 0.029226 -0.002655 -0.011691 0.009103 -0.000483 3 C 1 S 0.038149 0.010936 -0.008896 0.019366 0.019941 4 C 1 X 0.078882 -0.056818 -0.026515 0.075353 -0.041094 5 C 1 Y -0.033552 0.038485 0.026232 -0.073512 0.037863 6 C 1 Z 0.032172 0.001741 0.086129 -0.007926 0.005105 7 C 1 X 0.050944 -0.039166 -0.021677 0.042101 -0.027480 8 C 1 Y -0.011301 0.028073 0.013909 -0.046454 0.015786 9 C 1 Z 0.012166 0.004320 0.036393 -0.005591 0.004818 10 C 1 XX 0.001640 -0.000047 0.002008 -0.000407 0.005774 11 C 1 YY -0.000293 0.000083 -0.000074 0.001069 -0.005682 12 C 1 ZZ -0.001347 -0.000036 -0.001933 -0.000662 -0.000092 13 C 1 XY -0.008099 0.000721 0.001062 -0.002785 -0.002247 14 C 1 XZ 0.004639 -0.000056 0.011283 0.000485 -0.000505 15 C 1 YZ -0.000726 0.000974 -0.012544 -0.000208 0.000706 16 C 2 S -0.000722 0.001354 0.000222 -0.001212 -0.000830 17 C 2 S 0.004399 0.002547 0.004928 -0.011521 0.012347 18 C 2 S 0.027568 -0.037743 -0.011164 0.017433 -0.006779 19 C 2 X -0.046386 0.059301 0.024086 -0.072258 0.038565 20 C 2 Y 0.051132 0.032392 -0.002513 -0.034849 -0.021018 21 C 2 Z 0.002761 -0.009460 0.003384 -0.005309 -0.005560 22 C 2 X -0.016234 0.004779 0.002301 -0.020641 0.003802 23 C 2 Y 0.013088 0.002406 0.000741 0.003540 0.006765 24 C 2 Z -0.003697 -0.000573 -0.013265 0.000258 -0.001083 25 C 2 XX -0.002685 0.003418 0.001982 -0.005731 0.002315 26 C 2 YY 0.002520 -0.003008 -0.001165 0.005120 -0.002415 27 C 2 ZZ 0.000166 -0.000410 -0.000817 0.000610 0.000101 28 C 2 XY -0.003685 -0.003812 0.000512 0.003259 0.000584 29 C 2 XZ 0.002600 -0.000296 0.004890 0.001081 0.000349 30 C 2 YZ -0.001303 -0.001777 -0.001181 -0.001708 -0.001125 31 C 3 S 0.000279 -0.001323 0.000037 -0.000533 0.000605 32 C 3 S -0.002972 0.017232 0.001008 -0.001684 0.014370 33 C 3 S 0.021201 0.033189 -0.011930 0.009220 -0.018492 34 C 3 X -0.020935 -0.043690 -0.001826 0.048370 -0.026798 35 C 3 Y -0.074110 -0.000456 0.012344 0.019173 0.046661 36 C 3 Z -0.030384 -0.032299 -0.008230 -0.034198 -0.013074 37 C 3 X 0.010062 0.028592 0.005737 -0.022103 -0.033060 38 C 3 Y -0.016775 -0.006618 -0.002791 0.023688 0.002872 39 C 3 Z -0.017204 -0.015966 -0.002163 -0.019413 -0.005578 40 C 3 XX -0.004408 -0.002014 -0.000358 0.001187 -0.000715 41 C 3 YY 0.004030 0.002407 0.000439 -0.001907 0.002284 42 C 3 ZZ 0.000377 -0.000393 -0.000081 0.000719 -0.001569 43 C 3 XY -0.003433 -0.007949 -0.001113 0.008660 -0.007708 44 C 3 XZ 0.002664 0.001602 -0.001840 0.001999 0.001156 45 C 3 YZ -0.001496 -0.000866 0.000084 -0.003086 -0.000906 46 C 4 S -0.000586 0.000788 0.000673 0.000337 -0.000800 47 C 4 S 0.033222 -0.005999 -0.022486 0.011297 -0.011173 48 C 4 S 0.035736 -0.020776 -0.034528 -0.004597 0.021577 49 C 4 X 0.080460 0.022624 -0.021292 -0.004609 0.019314 50 C 4 Y 0.027720 0.046686 0.013173 -0.054074 -0.002014 51 C 4 Z 0.056882 0.032566 -0.033110 -0.073575 0.002977 52 C 4 X 0.088374 0.040064 -0.026137 0.014297 0.016547 53 C 4 Y 0.013160 0.062719 0.015716 -0.077175 -0.013669 54 C 4 Z 0.044943 0.012196 -0.024362 -0.046938 -0.016940 55 C 4 XX -0.004410 0.001341 0.000858 0.001467 0.004018 56 C 4 YY 0.000065 0.002462 0.001884 -0.000674 -0.001758 57 C 4 ZZ 0.004345 -0.003803 -0.002742 -0.000793 -0.002260 58 C 4 XY -0.002955 -0.002746 -0.000383 0.002720 0.003043 59 C 4 XZ 0.010668 0.006344 -0.001534 0.003721 0.006129 60 C 4 YZ -0.002532 0.008150 -0.000609 -0.003355 0.002053 61 S 5 S 0.001186 -0.000033 -0.000445 0.000555 0.000198 62 S 5 S 0.007007 0.000209 -0.002631 0.003104 0.001021 63 S 5 S -0.068810 0.025725 0.025130 -0.039610 -0.016053 64 S 5 S -0.147379 0.033652 0.054861 -0.081732 -0.036544 65 S 5 X 0.001094 -0.000452 -0.000519 0.000965 0.000584 66 S 5 Y 0.000028 -0.000307 0.000184 -0.000501 -0.000460 67 S 5 Z -0.001847 -0.000179 -0.000315 -0.000217 -0.000225 68 S 5 X -0.035543 0.016725 0.024928 -0.030097 -0.010597 69 S 5 Y -0.016222 0.005708 -0.007343 0.009737 0.004002 70 S 5 Z 0.087309 0.009871 0.030577 -0.000180 0.013746 71 S 5 X -0.016655 0.015246 0.016028 -0.015900 -0.000904 72 S 5 Y -0.013511 0.001056 -0.004776 0.003758 -0.001500 73 S 5 Z 0.063442 0.005211 0.034510 -0.001290 0.007363 74 S 5 XX -0.003314 0.000166 -0.000005 0.000616 0.000787 75 S 5 YY 0.006965 -0.001642 -0.001325 0.001373 -0.000890 76 S 5 ZZ -0.003651 0.001475 0.001330 -0.001990 0.000103 77 S 5 XY -0.002588 0.003098 0.002873 -0.008019 0.001028 78 S 5 XZ -0.007461 -0.000079 0.000478 0.000373 -0.001071 79 S 5 YZ 0.002673 0.002541 -0.008153 -0.000314 0.000778 80 S 5 XX -0.000771 0.000072 0.000111 0.000086 0.000117 81 S 5 YY 0.001527 -0.000327 -0.000317 0.000350 -0.000084 82 S 5 ZZ -0.000756 0.000255 0.000206 -0.000436 -0.000033 83 S 5 XY -0.000653 0.000630 0.000588 -0.001663 -0.000039 84 S 5 XZ -0.001367 -0.000025 0.000305 -0.000059 -0.000256 85 S 5 YZ 0.000809 0.000524 -0.001498 0.000002 0.000246 86 H 6 S -0.005877 -0.055431 -0.008577 0.058474 -0.000243 87 H 6 S -0.015950 -0.024172 -0.000581 0.032462 0.013281 88 H 6 X -0.001266 -0.001572 0.000203 0.001691 0.001663 89 H 6 Y 0.001036 -0.003100 -0.000942 0.003714 -0.000017 90 H 6 Z 0.000235 -0.000586 0.000743 -0.000155 -0.000432 91 C 7 S 0.002004 -0.000452 -0.000534 0.000994 0.000979 92 C 7 S -0.022000 0.006620 -0.001249 -0.008339 -0.018451 93 C 7 S -0.060773 0.012361 0.011955 -0.053288 -0.052017 94 C 7 X 0.029611 0.070740 0.001127 -0.093819 -0.071345 95 C 7 Y 0.011876 -0.033552 -0.007463 -0.044419 -0.101689 96 C 7 Z -0.055394 -0.024959 0.036804 -0.007405 0.005674 97 C 7 X 0.006063 0.014664 -0.001736 -0.048424 -0.084921 98 C 7 Y 0.014920 -0.023158 -0.007189 -0.002137 -0.051672 99 C 7 Z -0.027077 -0.013449 0.024053 -0.008509 0.002638 100 C 7 XX -0.000506 0.004030 -0.000376 0.000777 0.000387 101 C 7 YY 0.000171 -0.002850 0.000345 0.000090 -0.000920 102 C 7 ZZ 0.000335 -0.001180 0.000031 -0.000867 0.000532 103 C 7 XY -0.003167 -0.001513 0.000228 0.008045 0.008464 104 C 7 XZ 0.001552 0.003369 -0.000842 0.002818 0.001229 105 C 7 YZ 0.001683 -0.000304 -0.000872 0.001413 -0.001608 106 C 8 S 0.000879 -0.001385 -0.000364 -0.001297 -0.000486 107 C 8 S -0.002042 -0.029347 -0.001925 -0.019474 -0.004845 108 C 8 S -0.014827 -0.018235 0.000084 -0.024607 0.004598 109 C 8 X 0.027615 -0.047277 -0.006446 -0.099226 -0.025736 110 C 8 Y 0.005425 -0.003492 -0.018234 -0.193962 -0.042228 111 C 8 Z 0.035046 -0.042096 -0.011926 -0.029519 -0.010961 112 C 8 X 0.025691 -0.030008 -0.007930 -0.065984 -0.027314 113 C 8 Y 0.003149 0.001736 -0.011205 -0.094469 -0.031956 114 C 8 Z 0.019849 -0.022894 -0.005812 -0.014774 -0.008081 115 C 8 XX 0.002716 -0.000628 0.000287 -0.005193 0.005334 116 C 8 YY -0.003792 0.002240 0.000346 0.004069 -0.006144 117 C 8 ZZ 0.001076 -0.001611 -0.000633 0.001124 0.000810 118 C 8 XY 0.000675 -0.007008 -0.000181 -0.011736 -0.000151 119 C 8 XZ 0.002631 -0.001965 -0.001081 -0.001717 0.001234 120 C 8 YZ 0.001271 -0.008767 -0.002563 -0.000545 0.001506 121 C 9 S -0.000919 0.001162 0.000414 -0.001267 -0.001618 122 C 9 S 0.014391 -0.048552 0.001575 -0.023077 -0.009036 123 C 9 S 0.031696 -0.087119 -0.008235 0.018061 0.038221 124 C 9 X -0.033117 -0.077239 0.005799 0.026795 0.047720 125 C 9 Y -0.013915 0.029413 -0.013817 -0.045955 0.019604 126 C 9 Z -0.011805 0.112253 0.018002 -0.030362 -0.007876 127 C 9 X -0.064443 -0.065656 0.014230 -0.010741 0.023904 128 C 9 Y -0.014848 0.025781 -0.003670 -0.051027 0.057951 129 C 9 Z -0.011857 0.052084 0.012051 0.004562 0.012644 130 C 9 XX -0.000631 0.007887 -0.000723 -0.002379 0.001388 131 C 9 YY -0.002855 -0.001758 0.001761 0.006906 -0.001597 132 C 9 ZZ 0.003485 -0.006130 -0.001038 -0.004527 0.000209 133 C 9 XY -0.004143 -0.002993 0.001116 0.006843 0.004006 134 C 9 XZ 0.008757 0.005506 -0.003154 0.003570 -0.004374 135 C 9 YZ -0.003108 -0.002236 0.002785 0.006897 -0.003714 136 C 10 S -0.001402 0.001099 0.000503 -0.000217 0.002871 137 C 10 S 0.028825 -0.012206 -0.006825 0.006471 0.002216 138 C 10 S 0.075714 -0.031638 -0.024365 -0.006911 -0.101483 139 C 10 X -0.071155 -0.026320 0.019100 0.085332 0.166372 140 C 10 Y -0.037717 -0.019323 0.001278 0.032456 -0.041892 141 C 10 Z -0.033421 -0.028032 0.029228 -0.050146 -0.035793 142 C 10 X -0.031935 -0.011157 0.008558 0.046168 0.088745 143 C 10 Y -0.021265 -0.032401 -0.002740 0.022164 -0.044855 144 C 10 Z -0.023063 -0.017497 0.019529 -0.027023 -0.012726 145 C 10 XX -0.000522 0.005333 0.000804 -0.002918 -0.002542 146 C 10 YY 0.000892 -0.005937 -0.000661 0.002077 0.001848 147 C 10 ZZ -0.000370 0.000604 -0.000142 0.000841 0.000694 148 C 10 XY -0.005474 -0.004883 0.000695 0.005689 0.002791 149 C 10 XZ -0.003295 0.000041 0.002150 -0.001883 0.001064 150 C 10 YZ 0.001217 0.001837 0.000337 0.001861 -0.000124 151 C 11 S -0.001452 -0.000710 0.000158 0.001645 0.001658 152 C 11 S 0.014561 -0.019675 -0.007796 -0.013716 -0.018975 153 C 11 S 0.038067 -0.006839 -0.007746 -0.060463 -0.081352 154 C 11 X -0.009661 0.082939 0.015659 -0.027801 0.129642 155 C 11 Y 0.024886 0.005749 0.001881 0.002801 0.074515 156 C 11 Z -0.032942 -0.027761 0.011538 -0.049824 -0.015197 157 C 11 X -0.018907 0.055981 0.019714 -0.018848 0.100161 158 C 11 Y -0.014941 -0.023641 0.002351 0.031757 0.060548 159 C 11 Z -0.020262 -0.014101 0.007282 -0.029268 -0.003686 160 C 11 XX -0.006904 -0.002368 0.000628 0.003600 -0.002524 161 C 11 YY 0.007253 0.001779 -0.000834 -0.003934 0.002300 162 C 11 ZZ -0.000348 0.000589 0.000205 0.000334 0.000224 163 C 11 XY -0.003456 -0.006990 -0.000313 0.005532 -0.002462 164 C 11 XZ -0.002596 -0.001717 -0.000584 -0.000959 0.000456 165 C 11 YZ -0.001953 -0.001455 0.002394 -0.001731 -0.000962 166 C 12 S -0.000361 -0.000464 -0.000203 0.000808 -0.000522 167 C 12 S 0.005591 0.030886 0.001570 -0.025372 -0.013120 168 C 12 S 0.011689 0.057852 0.006592 -0.049043 -0.002666 169 C 12 X 0.056150 -0.003853 -0.017015 -0.045371 -0.146442 170 C 12 Y 0.010734 -0.067111 -0.011025 0.037334 -0.032667 171 C 12 Z 0.007787 -0.037221 -0.006786 0.022250 -0.018566 172 C 12 X 0.000856 0.013007 0.000477 -0.004498 -0.000884 173 C 12 Y 0.000536 -0.012418 -0.002857 0.012157 -0.001280 174 C 12 Z 0.002163 -0.002366 -0.001321 0.007325 0.002160 175 C 12 XX 0.007828 0.000360 -0.001713 -0.008540 -0.018968 176 C 12 YY -0.008889 0.005135 0.003522 0.001520 0.015670 177 C 12 ZZ 0.001061 -0.005495 -0.001809 0.007020 0.003299 178 C 12 XY -0.007195 0.003962 0.002210 0.002793 0.011610 179 C 12 XZ -0.003805 0.000324 0.002260 -0.001131 0.004912 180 C 12 YZ 0.000245 0.009408 0.000410 -0.004436 0.002418 181 C 13 S -0.000937 -0.001009 0.000491 0.000241 0.000111 182 C 13 S -0.044666 0.022754 0.016006 0.016285 0.078551 183 C 13 S -0.077388 0.064400 0.025374 0.031234 0.168280 184 C 13 X -0.080879 0.041473 0.026553 0.032139 0.130184 185 C 13 Y 0.025843 0.042322 -0.000848 -0.049828 -0.013514 186 C 13 Z -0.053722 0.035125 0.018408 0.015600 0.088625 187 C 13 X -0.026578 0.022574 0.009208 0.009111 0.057857 188 C 13 Y -0.000483 0.002901 0.000752 -0.002575 0.003072 189 C 13 Z -0.013818 0.009082 0.004583 0.003334 0.028161 190 C 13 XX 0.000690 -0.002643 -0.001019 -0.000706 -0.009944 191 C 13 YY -0.009725 0.006893 0.003678 0.003730 0.021304 192 C 13 ZZ 0.009035 -0.004251 -0.002659 -0.003025 -0.011360 193 C 13 XY 0.006698 0.006563 -0.000797 -0.009045 -0.005611 194 C 13 XZ -0.011049 0.007072 0.003589 0.003778 0.016051 195 C 13 YZ -0.000893 0.004815 0.000799 -0.002572 0.003914 196 C 14 S 0.000739 0.001486 -0.000144 -0.001006 -0.000702 197 C 14 S -0.027886 -0.021160 0.002911 0.028353 -0.001331 198 C 14 S -0.067805 -0.057293 0.012791 0.069487 0.032912 199 C 14 X 0.024652 -0.056938 -0.018385 -0.009734 -0.147888 200 C 14 Y -0.075937 -0.039433 0.011900 0.067671 0.039455 201 C 14 Z 0.026504 0.005048 -0.005754 -0.019168 -0.027945 202 C 14 X -0.009333 -0.005769 0.000695 0.006377 -0.003104 203 C 14 Y -0.019816 -0.012986 0.005475 0.021683 0.016079 204 C 14 Z 0.003410 0.004102 -0.000630 0.001305 0.000237 205 C 14 XX -0.001669 -0.010134 -0.001744 0.003184 -0.014278 206 C 14 YY -0.009214 0.002639 0.003060 0.003771 0.013683 207 C 14 ZZ 0.010883 0.007495 -0.001316 -0.006956 0.000594 208 C 14 XY 0.008759 -0.006343 -0.003354 -0.004140 -0.018788 209 C 14 XZ -0.004040 -0.002103 0.001035 0.001132 0.001616 210 C 14 YZ 0.003782 0.002453 -0.000058 -0.007332 -0.002684 211 F 15 S -0.000064 0.001029 0.000170 -0.000584 0.000298 212 F 15 S -0.000249 0.002808 -0.000137 -0.000135 0.001888 213 F 15 S -0.001802 -0.005881 -0.001594 0.006368 0.001683 214 F 15 X -0.040522 0.020234 0.003934 0.065680 0.138259 215 F 15 Y -0.026354 0.066930 0.017960 -0.040478 0.039915 216 F 15 Z -0.014451 0.041290 0.010330 -0.022986 0.022581 217 F 15 X -0.030042 0.014283 0.002793 0.048748 0.103018 218 F 15 Y -0.021653 0.049510 0.014093 -0.029619 0.032011 219 F 15 Z -0.009154 0.031775 0.007393 -0.017896 0.016479 220 F 15 XX -0.000066 0.000550 0.000079 -0.000307 -0.000020 221 F 15 YY 0.000001 0.000585 0.000078 -0.000461 -0.000004 222 F 15 ZZ 0.000065 -0.001135 -0.000157 0.000767 0.000025 223 F 15 XY -0.000144 0.000177 0.000086 -0.000135 0.000141 224 F 15 XZ 0.000180 0.000074 0.000164 -0.001135 -0.001079 225 F 15 YZ 0.000411 -0.000725 -0.000250 0.000523 -0.000317 226 F 16 S 0.000166 0.000475 0.000010 -0.000571 -0.000497 227 F 16 S 0.000007 0.001552 0.000292 -0.000673 -0.000404 228 F 16 S -0.001518 -0.001737 0.000279 0.004969 0.004320 229 F 16 X -0.069027 0.016400 0.024393 0.030881 0.124059 230 F 16 Y -0.002276 0.067871 0.005014 -0.031948 0.012845 231 F 16 Z 0.001877 0.028214 -0.000437 -0.004696 0.015982 232 F 16 X -0.048814 0.011772 0.017680 0.021434 0.090291 233 F 16 Y -0.002150 0.050418 0.004216 -0.024794 0.010101 234 F 16 Z 0.001273 0.020867 -0.000402 -0.003925 0.011157 235 F 16 XX -0.000097 0.000552 0.000086 -0.000413 -0.000172 236 F 16 YY -0.000105 -0.001021 -0.000014 0.000571 0.000373 237 F 16 ZZ 0.000202 0.000470 -0.000072 -0.000158 -0.000200 238 F 16 XY 0.000579 0.000174 -0.000170 -0.000339 -0.000492 239 F 16 XZ -0.000405 0.000003 0.000138 0.000238 0.000536 240 F 16 YZ -0.000049 0.000631 0.000123 -0.000637 -0.000267 241 F 17 S -0.000603 -0.000714 -0.000012 0.000396 -0.000374 242 F 17 S -0.001596 -0.000694 0.000163 -0.000510 0.000252 243 F 17 S 0.003349 0.006576 0.000335 -0.004245 0.004703 244 F 17 X -0.043884 0.053672 0.024205 -0.008853 0.130889 245 F 17 Y 0.062352 0.033092 -0.007019 -0.064491 -0.021516 246 F 17 Z -0.008940 0.011763 0.003830 0.007961 0.022732 247 F 17 X -0.031426 0.038151 0.017585 -0.006385 0.096181 248 F 17 Y 0.047422 0.025495 -0.005690 -0.048155 -0.016871 249 F 17 Z -0.006560 0.008410 0.002748 0.006798 0.017097 250 F 17 XX -0.000585 -0.000525 0.000050 0.000576 -0.000147 251 F 17 YY 0.000579 0.000346 -0.000042 -0.000651 0.000102 252 F 17 ZZ 0.000006 0.000178 -0.000008 0.000075 0.000046 253 F 17 XY -0.000206 0.000339 0.000149 -0.000421 0.000329 254 F 17 XZ -0.000267 0.000411 0.000175 -0.000289 0.000641 255 F 17 YZ 0.001032 0.000907 -0.000072 -0.000934 0.000150 256 F 18 S -0.001007 -0.000540 0.000158 0.000876 0.000417 257 F 18 S -0.002418 -0.000086 0.000344 0.001944 0.002036 258 F 18 S 0.005197 0.006692 -0.000670 -0.006814 0.000312 259 F 18 X -0.012801 0.080113 0.016636 0.028251 0.144016 260 F 18 Y 0.098489 0.043135 -0.018058 -0.054351 -0.043035 261 F 18 Z -0.030508 -0.000332 0.007368 0.024921 0.030090 262 F 18 X -0.009860 0.059176 0.012445 0.021129 0.108492 263 F 18 Y 0.074403 0.031293 -0.014148 -0.041651 -0.035262 264 F 18 Z -0.022343 -0.001976 0.005183 0.020158 0.021900 265 F 18 XX -0.000651 -0.000155 0.000111 0.000543 0.000254 266 F 18 YY -0.000019 -0.000126 -0.000022 0.000265 -0.000038 267 F 18 ZZ 0.000671 0.000281 -0.000089 -0.000807 -0.000216 268 F 18 XY 0.000459 0.000454 -0.000035 -0.000128 0.000044 269 F 18 XZ -0.000427 -0.001201 -0.000078 -0.000045 -0.001073 270 F 18 YZ -0.001592 -0.000757 0.000269 0.000802 0.000380 271 C 19 S 0.000537 -0.000581 -0.000300 -0.003018 -0.000444 272 C 19 S 0.000572 -0.003864 -0.000537 -0.007905 -0.002614 273 C 19 S -0.005700 -0.002875 0.003743 0.020452 0.008414 274 C 19 X 0.057715 -0.080462 0.014863 -0.041509 0.138542 275 C 19 Y -0.067891 0.130961 0.019374 0.261155 -0.037552 276 C 19 Z 0.083631 -0.166973 -0.053247 0.010571 0.031803 277 C 19 X 0.026104 -0.038420 0.006341 -0.025460 0.065991 278 C 19 Y -0.029193 0.057069 0.007012 0.108103 -0.025711 279 C 19 Z 0.039033 -0.076560 -0.025083 0.003351 0.014073 280 C 19 XX 0.004147 -0.006075 -0.000039 -0.008712 0.007647 281 C 19 YY -0.000233 -0.000174 -0.000219 -0.005940 -0.003703 282 C 19 ZZ -0.003914 0.006249 0.000258 0.014652 -0.003944 283 C 19 XY 0.000514 -0.001749 -0.001346 -0.011107 -0.003925 284 C 19 XZ -0.002776 0.005081 0.001662 -0.001873 -0.000638 285 C 19 YZ 0.003729 -0.008660 -0.002736 -0.003900 0.001686 286 H 20 S 0.064281 -0.097392 0.008261 -0.088295 0.130271 287 H 20 S 0.024100 -0.032688 0.002623 -0.031684 0.049344 288 H 20 X -0.004295 0.006649 -0.000385 0.006389 -0.007952 289 H 20 Y -0.000834 0.001756 0.000715 0.005828 0.001165 290 H 20 Z 0.002491 -0.005065 -0.001665 0.000383 0.000741 291 H 21 S -0.102138 0.197399 0.044618 0.146610 -0.067102 292 H 21 S -0.036389 0.074767 0.017663 0.058191 -0.023702 293 H 21 X 0.000111 0.000513 0.001031 0.000356 0.002901 294 H 21 Y 0.004281 -0.008433 -0.002255 -0.001694 0.002793 295 H 21 Z -0.004997 0.009428 0.001604 0.010870 -0.003746 296 C 22 S 0.000809 -0.000846 -0.000475 0.001390 -0.000536 297 C 22 S 0.000812 0.000095 -0.000531 0.001984 -0.002595 298 C 22 S -0.004608 0.011440 0.004383 -0.015593 -0.000929 299 C 22 X 0.098988 -0.029193 0.015124 0.016615 0.101238 300 C 22 Y 0.124310 -0.070934 -0.070784 0.110774 0.001733 301 C 22 Z 0.121291 -0.025022 0.390563 0.008875 -0.017550 302 C 22 X 0.044383 -0.014369 0.006718 0.010974 0.050164 303 C 22 Y 0.049644 -0.026997 -0.029066 0.041898 0.001888 304 C 22 Z 0.054395 -0.011525 0.181537 0.004346 -0.009206 305 C 22 XX -0.003635 0.002142 0.002547 -0.002911 0.000012 306 C 22 YY 0.000559 -0.001916 -0.002063 0.003775 -0.005698 307 C 22 ZZ 0.003076 -0.000226 -0.000484 -0.000864 0.005687 308 C 22 XY -0.008971 0.004520 0.001880 -0.006725 -0.001122 309 C 22 XZ 0.005847 -0.001197 0.021828 -0.000149 -0.000750 310 C 22 YZ 0.001196 -0.000234 0.001499 0.000531 -0.000655 311 H 23 S -0.143723 0.064332 0.030788 -0.082417 -0.065421 312 H 23 S -0.052433 0.023719 0.012023 -0.032014 -0.026397 313 H 23 X -0.006054 0.003328 0.002373 -0.004824 -0.000995 314 H 23 Y -0.006644 0.002594 0.000129 -0.002853 -0.004610 315 H 23 Z 0.003398 -0.000622 0.012154 0.000027 -0.000664 316 H 24 S 0.120900 -0.023348 0.291543 0.000369 0.042323 317 H 24 S 0.043120 -0.008117 0.113637 -0.002333 0.016780 318 H 24 X -0.003811 0.000313 -0.016660 0.000651 0.000426 319 H 24 Y 0.005008 -0.002117 0.002368 0.002898 0.000901 320 H 24 Z -0.005471 0.001029 -0.010093 0.000188 -0.003606 321 H 25 S -0.049162 0.009000 -0.282047 -0.003769 0.063118 322 H 25 S -0.022950 0.005354 -0.107628 -0.003512 0.024764 323 H 25 X 0.005937 -0.001492 0.015090 0.000887 -0.000368 324 H 25 Y 0.002925 -0.001726 -0.003638 0.002780 0.000720 325 H 25 Z -0.000478 -0.000081 -0.010708 -0.000093 0.004419 326 C 26 S -0.000203 -0.001010 -0.000393 0.001121 0.000121 327 C 26 S 0.001714 0.003046 0.003050 -0.003840 -0.001334 328 C 26 S -0.001717 0.009226 0.009088 -0.005760 0.004662 329 C 26 X -0.135513 -0.170077 0.038995 -0.041283 0.119437 330 C 26 Y 0.033660 -0.005433 -0.050424 -0.163845 0.096906 331 C 26 Z 0.019879 -0.121321 -0.005348 0.047698 -0.019605 332 C 26 X -0.052461 -0.071949 0.017208 -0.017200 0.060468 333 C 26 Y 0.013758 -0.003944 -0.022375 -0.070608 0.041870 334 C 26 Z 0.006900 -0.051593 0.001197 0.016813 -0.005887 335 C 26 XX -0.004507 0.001560 0.002838 0.005063 -0.001150 336 C 26 YY 0.002469 0.008859 -0.002034 -0.004673 0.000454 337 C 26 ZZ 0.002038 -0.010419 -0.000804 -0.000390 0.000696 338 C 26 XY 0.005419 0.006454 -0.000354 0.007283 -0.007859 339 C 26 XZ 0.002797 0.001023 -0.001178 0.001580 -0.000672 340 C 26 YZ -0.001481 -0.004289 0.001244 0.005148 -0.002990 341 H 27 S 0.064527 0.140679 0.006424 0.112018 -0.128177 342 H 27 S 0.024710 0.049800 0.002418 0.040553 -0.049549 343 H 27 X 0.000248 0.004779 0.001793 0.005879 -0.005303 344 H 27 Y 0.005061 0.008819 -0.000961 0.001302 -0.005003 345 H 27 Z 0.001815 0.000157 0.000048 0.004002 -0.003682 346 H 28 S 0.039073 0.076519 -0.040405 -0.140548 0.063456 347 H 28 S 0.016009 0.029163 -0.014445 -0.054217 0.029489 348 H 28 X -0.003619 -0.003861 0.000562 -0.003722 0.004226 349 H 28 Y -0.002355 -0.006156 0.001679 0.006877 -0.002261 350 H 28 Z 0.002512 0.000492 -0.001998 -0.005001 0.002369 351 H 29 S -0.122540 -0.091571 0.048880 0.004070 0.064709 352 H 29 S -0.050558 -0.029846 0.018031 -0.001000 0.021310 353 H 29 X 0.005834 0.002759 -0.003037 -0.001703 -0.001960 354 H 29 Y -0.003243 -0.003453 0.000459 -0.004739 0.005387 355 H 29 Z -0.003436 -0.005273 0.001408 0.001479 0.001368 356 C 30 S 0.001231 0.001224 -0.000123 -0.001355 0.000796 357 C 30 S -0.001641 -0.002657 -0.001975 0.005140 0.000867 358 C 30 S -0.019033 -0.012637 0.003923 0.024529 -0.000574 359 C 30 X 0.206902 0.100715 -0.067319 0.077290 0.142021 360 C 30 Y -0.043377 0.141939 0.038359 -0.104541 0.035671 361 C 30 Z -0.074870 -0.058485 0.034574 0.080453 -0.007034 362 C 30 X 0.083796 0.044590 -0.027335 0.033304 0.073953 363 C 30 Y -0.016500 0.055444 0.013203 -0.044136 0.016732 364 C 30 Z -0.026168 -0.023104 0.014022 0.027101 -0.006165 365 C 30 XX -0.005873 0.004397 0.003597 -0.003647 0.001036 366 C 30 YY -0.000754 -0.005499 0.000042 0.006787 -0.000309 367 C 30 ZZ 0.006627 0.001102 -0.003639 -0.003140 -0.000727 368 C 30 XY 0.010373 0.006369 -0.003990 0.003989 0.008743 369 C 30 XZ 0.002868 0.001482 -0.001379 0.002026 0.002728 370 C 30 YZ -0.000710 0.005109 -0.000008 -0.005074 0.000594 371 H 31 S 0.009843 -0.131737 -0.016954 0.122291 -0.024547 372 H 31 S 0.002376 -0.050161 -0.007375 0.046927 -0.009152 373 H 31 X 0.006408 0.003786 -0.001850 0.001634 0.003933 374 H 31 Y -0.000842 -0.006609 -0.000559 0.007058 -0.000960 375 H 31 Z -0.002246 0.004682 0.001598 -0.003448 0.001005 376 H 32 S -0.191420 -0.030276 0.076033 -0.078888 -0.090602 377 H 32 S -0.068668 -0.007447 0.029205 -0.027573 -0.025885 378 H 32 X -0.008925 0.000957 0.003697 -0.003066 -0.001809 379 H 32 Y 0.007489 0.005669 -0.002162 0.000117 0.004667 380 H 32 Z 0.003534 -0.000735 -0.001293 0.004176 0.002550 381 H 33 S 0.107450 0.128647 -0.023459 0.024394 0.118503 382 H 33 S 0.037465 0.048596 -0.007781 0.008292 0.042373 383 H 33 X -0.001884 -0.006621 -0.000310 0.000626 -0.004487 384 H 33 Y -0.006964 -0.002194 0.002366 -0.004467 -0.004868 385 H 33 Z -0.003937 -0.004407 0.001195 0.001346 -0.003002 386 H 34 S 0.022679 -0.058103 -0.036180 0.122467 -0.022816 387 H 34 S 0.007488 -0.021381 -0.013324 0.048931 -0.005077 388 H 34 X 0.002329 -0.003722 -0.000418 0.000872 0.003294 389 H 34 Y -0.003055 0.006643 0.002160 0.001888 -0.000367 390 H 34 Z 0.000523 -0.000321 0.001380 -0.009912 0.002757 391 F 35 S -0.000762 0.000528 0.000228 0.000412 0.001419 392 F 35 S -0.002038 0.001461 0.000490 0.000922 0.001912 393 F 35 S 0.002190 -0.001345 -0.000666 -0.001614 -0.007217 394 F 35 X 0.080136 -0.039780 -0.026358 -0.030814 -0.127783 395 F 35 Y -0.021842 -0.040161 -0.000663 0.041493 0.004539 396 F 35 Z 0.042512 -0.016176 -0.013713 -0.002066 -0.042916 397 F 35 X 0.059234 -0.030247 -0.019433 -0.022809 -0.095742 398 F 35 Y -0.015524 -0.028439 -0.000364 0.030165 0.003750 399 F 35 Z 0.033323 -0.013899 -0.010941 -0.002806 -0.038260 400 F 35 XX 0.001667 -0.000798 -0.000520 -0.000542 -0.002253 401 F 35 YY -0.000863 0.000401 0.000268 0.000342 0.001270 402 F 35 ZZ -0.000803 0.000397 0.000251 0.000200 0.000983 403 F 35 XY 0.000119 -0.000336 -0.000076 0.000104 -0.000364 404 F 35 XZ -0.000470 0.000428 0.000156 0.000364 0.001060 405 F 35 YZ 0.000027 0.000175 0.000027 -0.000084 0.000114 406 F 36 S -0.001116 0.000896 0.000341 0.000489 0.001884 407 F 36 S -0.003390 0.001428 0.001051 0.000305 0.002376 408 F 36 S 0.004456 -0.006951 -0.001402 -0.004596 -0.016085 409 F 36 X 0.056209 -0.046571 -0.014824 -0.036358 -0.084537 410 F 36 Y -0.030232 -0.045062 0.002093 0.050058 0.013554 411 F 36 Z 0.062085 -0.039329 -0.019907 -0.016883 -0.090396 412 F 36 X 0.043024 -0.035383 -0.011476 -0.027194 -0.066116 413 F 36 Y -0.022738 -0.034152 0.001555 0.038027 0.010410 414 F 36 Z 0.045784 -0.030609 -0.014704 -0.013145 -0.070142 415 F 36 XX -0.000880 0.000535 0.000242 0.000359 0.001204 416 F 36 YY -0.000813 0.000522 0.000263 0.000216 0.001199 417 F 36 ZZ 0.001692 -0.001057 -0.000505 -0.000574 -0.002403 418 F 36 XY 0.000016 0.000128 -0.000010 -0.000040 0.000002 419 F 36 XZ 0.000308 -0.000515 -0.000030 -0.000380 -0.000279 420 F 36 YZ -0.000519 -0.000303 0.000094 0.000487 0.000405 421 C 37 S -0.000224 -0.002993 0.000383 -0.002764 0.001413 422 C 37 S -0.012661 0.025578 0.002886 0.053414 -0.008691 423 C 37 S 0.013896 0.058538 -0.007440 0.070250 -0.052007 424 C 37 X 0.022874 0.070454 -0.010911 -0.063146 -0.073610 425 C 37 Y 0.007902 -0.013805 0.008089 0.079959 0.004063 426 C 37 Z 0.028955 0.020841 0.002560 0.009556 -0.015113 427 C 37 X 0.000113 0.029466 -0.001173 -0.022563 -0.012505 428 C 37 Y -0.006604 -0.012570 0.005953 0.025527 0.009459 429 C 37 Z 0.014976 0.008602 0.002357 0.002140 -0.003249 430 C 37 XX -0.000312 0.007874 -0.000385 -0.002000 -0.003642 431 C 37 YY -0.000104 -0.005795 0.000866 0.002857 0.002215 432 C 37 ZZ 0.000416 -0.002078 -0.000481 -0.000858 0.001427 433 C 37 XY -0.000106 -0.004433 -0.000598 -0.009608 0.000488 434 C 37 XZ -0.000550 -0.002051 -0.000506 -0.000525 0.000763 435 C 37 YZ 0.002000 -0.006793 -0.000662 0.000602 -0.000009 436 S 38 S -0.000344 -0.000085 0.000005 0.000237 -0.000676 437 S 38 S -0.001808 -0.000750 0.000067 0.001606 -0.003642 438 S 38 S 0.028211 -0.008127 0.002832 -0.001320 0.046249 439 S 38 S 0.055774 -0.009853 0.001786 -0.020943 0.090188 440 S 38 X 0.000248 -0.000489 0.000030 -0.000836 0.000471 441 S 38 Y -0.000345 -0.000578 0.000024 -0.000335 -0.001305 442 S 38 Z 0.000096 0.000369 -0.000112 -0.000036 0.000012 443 S 38 X -0.023733 0.038828 0.003143 0.040841 0.004024 444 S 38 Y 0.014159 0.019979 0.003042 0.019140 0.097899 445 S 38 Z -0.019397 -0.026703 0.008206 0.000548 -0.005458 446 S 38 X -0.005147 0.013758 -0.001327 0.022062 -0.009786 447 S 38 Y 0.009372 0.008445 0.002543 0.016897 0.056031 448 S 38 Z -0.014827 -0.018386 0.002836 0.001929 -0.003696 449 S 38 XX -0.003885 0.005228 0.000986 0.014087 0.012092 450 S 38 YY 0.000399 -0.004646 -0.000900 -0.012299 -0.020487 451 S 38 ZZ 0.003486 -0.000582 -0.000086 -0.001788 0.008395 452 S 38 XY -0.000726 -0.005150 -0.001365 -0.007626 -0.002387 453 S 38 XZ 0.001952 -0.003099 -0.000857 -0.000278 -0.000835 454 S 38 YZ 0.004853 0.001496 -0.003860 -0.000039 -0.000237 455 S 38 XX -0.000752 0.001108 0.000202 0.002520 0.002363 456 S 38 YY 0.000073 -0.001011 -0.000183 -0.002278 -0.003873 457 S 38 ZZ 0.000679 -0.000097 -0.000019 -0.000241 0.001511 458 S 38 XY -0.000174 -0.000678 -0.000229 -0.001077 -0.000750 459 S 38 XZ 0.000348 -0.000433 -0.000147 -0.000025 -0.000161 460 S 38 YZ 0.000750 0.000245 -0.000629 -0.000059 -0.000052 461 H 39 S 0.009046 0.084423 -0.009065 -0.031739 -0.070434 462 H 39 S 0.002533 0.031536 -0.002611 -0.016025 -0.026290 463 H 39 X -0.000059 -0.005856 0.000561 0.001289 0.004539 464 H 39 Y 0.000445 0.000813 0.000063 0.002109 -0.001014 465 H 39 Z 0.001352 0.000717 -0.000050 0.000117 -0.000647 86 87 88 89 90 -0.5561 -0.5495 -0.5431 -0.5147 -0.5069 A A A A A 1 C 1 S -0.000063 -0.000185 0.000294 -0.000965 -0.000828 2 C 1 S -0.003952 -0.004793 -0.006080 -0.008176 -0.000333 3 C 1 S -0.022482 -0.023473 -0.003145 0.025895 0.030786 4 C 1 X -0.110124 -0.136461 0.074670 -0.017432 0.008190 5 C 1 Y 0.092225 0.118614 -0.103803 0.008265 0.026926 6 C 1 Z 0.013048 0.013060 -0.016127 0.001274 0.007789 7 C 1 X -0.037648 -0.062188 0.036922 -0.033139 -0.013453 8 C 1 Y 0.044462 0.071258 -0.065273 -0.008965 0.015676 9 C 1 Z 0.005982 0.006955 -0.009207 0.002536 0.001956 10 C 1 XX 0.010007 0.011901 -0.003010 0.003430 0.000727 11 C 1 YY -0.012456 -0.013105 0.004357 -0.003014 0.000291 12 C 1 ZZ 0.002449 0.001205 -0.001346 -0.000416 -0.001018 13 C 1 XY -0.001226 0.002675 -0.004174 0.003025 0.002625 14 C 1 XZ -0.001127 -0.000708 0.000187 -0.000378 0.000477 15 C 1 YZ 0.000436 -0.002232 -0.002391 -0.000940 0.002127 16 C 2 S -0.002332 -0.001134 -0.001660 -0.000211 0.001053 17 C 2 S 0.021035 0.018450 -0.010460 -0.011661 0.002475 18 C 2 S 0.063658 0.031405 0.008087 -0.047043 -0.045398 19 C 2 X 0.091851 0.108235 -0.078767 0.008445 -0.004477 20 C 2 Y -0.089375 -0.147005 -0.013457 -0.082728 0.002533 21 C 2 Z -0.006400 -0.018731 -0.003283 -0.004816 0.006477 22 C 2 X 0.041059 0.043256 -0.035262 -0.025829 -0.023438 23 C 2 Y -0.029859 -0.063036 0.003336 -0.013816 -0.001518 24 C 2 Z -0.002203 -0.006935 -0.001898 0.000413 0.000561 25 C 2 XX 0.010553 0.013032 -0.008445 -0.000432 -0.000068 26 C 2 YY -0.011209 -0.012905 0.009279 -0.000100 -0.000377 27 C 2 ZZ 0.000656 -0.000127 -0.000834 0.000532 0.000445 28 C 2 XY 0.001736 0.004857 0.004884 0.005436 0.000533 29 C 2 XZ -0.000576 -0.000607 0.000674 0.000915 0.000017 30 C 2 YZ -0.000226 -0.001960 -0.000863 -0.001019 0.001616 31 C 3 S 0.000654 0.000885 0.000653 -0.001520 0.000177 32 C 3 S -0.032059 -0.037506 0.034918 0.027956 0.005175 33 C 3 S -0.038777 -0.049911 0.002839 -0.084447 -0.039716 34 C 3 X -0.067895 -0.069544 0.137242 0.023806 -0.020584 35 C 3 Y 0.084458 0.140095 0.034154 0.116915 -0.000204 36 C 3 Z 0.010387 -0.012489 -0.015843 -0.004563 0.034187 37 C 3 X -0.043853 -0.018250 0.068557 0.039251 0.012949 38 C 3 Y 0.068682 0.079761 0.007485 0.022683 -0.035984 39 C 3 Z 0.002356 0.001633 -0.000712 0.005415 0.003648 40 C 3 XX 0.003124 0.012712 -0.000922 0.004027 -0.003196 41 C 3 YY -0.003960 -0.011439 0.004575 -0.003154 -0.000098 42 C 3 ZZ 0.000837 -0.001273 -0.003653 -0.000873 0.003294 43 C 3 XY -0.008605 0.000604 0.009840 0.005089 -0.006306 44 C 3 XZ -0.000890 0.000174 0.000075 -0.002251 0.004454 45 C 3 YZ -0.000044 -0.000568 -0.000200 -0.001664 0.003313 46 C 4 S 0.000744 -0.001342 -0.001282 -0.000614 0.000478 47 C 4 S -0.014900 0.030642 0.017807 -0.014881 -0.012575 48 C 4 S -0.051726 0.056070 0.050093 0.001832 -0.001905 49 C 4 X 0.018338 0.002133 -0.054706 -0.044171 0.021978 50 C 4 Y -0.002944 0.007906 -0.096510 -0.056332 -0.060140 51 C 4 Z 0.025084 -0.045593 -0.114856 -0.107191 0.218077 52 C 4 X 0.014934 0.008818 -0.031438 -0.023736 0.008529 53 C 4 Y -0.034289 0.031364 -0.040350 -0.040999 -0.021517 54 C 4 Z 0.033184 -0.031433 -0.093085 -0.089057 0.148208 55 C 4 XX 0.002016 0.003927 0.008088 0.007618 -0.000890 56 C 4 YY -0.002246 -0.006174 0.002140 0.003951 -0.008828 57 C 4 ZZ 0.000230 0.002247 -0.010227 -0.011569 0.009717 58 C 4 XY -0.003574 -0.003914 0.006754 0.008296 0.004517 59 C 4 XZ 0.002541 -0.004836 0.006479 0.001088 -0.001248 60 C 4 YZ -0.005359 0.002649 0.011659 -0.000375 0.013591 61 S 5 S -0.000051 0.000178 -0.000097 0.000092 0.000289 62 S 5 S -0.000844 0.001121 -0.000910 0.000720 0.002011 63 S 5 S -0.025702 -0.002786 -0.013286 0.005628 0.000125 64 S 5 S -0.038173 -0.015579 -0.012194 0.003740 -0.004817 65 S 5 X 0.000555 0.000587 0.000217 0.000360 -0.000310 66 S 5 Y -0.000288 -0.000067 -0.001155 0.000065 0.000953 67 S 5 Z -0.000280 0.000164 0.000745 0.000020 -0.000622 68 S 5 X -0.020394 -0.049952 -0.015685 -0.014139 0.003240 69 S 5 Y 0.008326 0.016162 0.040785 0.004950 -0.034460 70 S 5 Z 0.011351 -0.012808 -0.042052 -0.012629 0.052464 71 S 5 X -0.012143 -0.031082 -0.012510 -0.004360 0.004030 72 S 5 Y 0.005406 0.005715 0.030607 -0.008474 -0.025481 73 S 5 Z 0.003854 -0.008425 -0.031975 -0.004354 0.036543 74 S 5 XX 0.003488 0.011978 0.004763 0.005031 -0.002921 75 S 5 YY -0.005298 -0.005252 -0.001984 -0.002379 0.000164 76 S 5 ZZ 0.001810 -0.006726 -0.002779 -0.002652 0.002756 77 S 5 XY 0.002819 -0.000592 -0.013616 -0.000402 0.008156 78 S 5 XZ -0.001777 -0.000665 0.003398 0.002154 -0.007024 79 S 5 YZ -0.001038 0.000451 -0.000009 -0.001183 0.003366 80 S 5 XX 0.000352 0.001524 0.000800 0.000934 -0.000504 81 S 5 YY -0.000745 -0.000457 -0.000317 -0.000394 0.000043 82 S 5 ZZ 0.000394 -0.001067 -0.000484 -0.000540 0.000461 83 S 5 XY 0.000287 -0.000281 -0.002458 -0.000363 0.001448 84 S 5 XZ -0.000465 0.000078 0.000567 0.000417 -0.001108 85 S 5 YZ -0.000000 0.000016 -0.000089 -0.000303 0.000579 86 H 6 S 0.018593 0.045861 0.052756 0.045638 0.002194 87 H 6 S 0.000488 0.012616 0.022975 0.039596 0.007014 88 H 6 X 0.003941 0.005761 0.000486 0.003784 0.000913 89 H 6 Y -0.000845 -0.000145 0.003150 0.001424 0.000326 90 H 6 Z -0.000148 -0.000274 0.000214 -0.000204 -0.000095 91 C 7 S -0.000659 -0.000041 -0.001343 -0.000879 0.001093 92 C 7 S 0.064296 -0.024282 0.043463 -0.017169 -0.009073 93 C 7 S 0.086550 -0.032020 0.103897 0.104532 0.026890 94 C 7 X 0.113880 -0.111876 0.081433 -0.010539 -0.042038 95 C 7 Y 0.098645 0.047269 0.139873 0.089709 0.087296 96 C 7 Z 0.020999 -0.031478 -0.032100 0.068103 -0.056230 97 C 7 X 0.076656 -0.064139 0.032129 -0.031489 -0.040903 98 C 7 Y 0.089969 0.031475 0.083562 -0.011792 0.056048 99 C 7 Z 0.009046 -0.013058 -0.013279 0.043819 -0.021936 100 C 7 XX -0.002664 -0.002019 -0.012982 0.002475 -0.004103 101 C 7 YY 0.008114 -0.001440 0.015306 -0.000967 0.003020 102 C 7 ZZ -0.005449 0.003459 -0.002324 -0.001508 0.001083 103 C 7 XY -0.003350 -0.001436 -0.000979 0.005045 0.006002 104 C 7 XZ -0.000283 0.000124 0.000475 -0.000375 -0.002288 105 C 7 YZ 0.001781 -0.000642 0.000234 0.000189 -0.001170 106 C 8 S 0.000008 0.000094 0.000251 0.000540 0.000701 107 C 8 S 0.011730 0.013197 0.011624 0.000891 0.007197 108 C 8 S 0.016281 0.001212 0.018299 0.009023 0.003346 109 C 8 X 0.041999 0.027990 0.055023 -0.035048 0.056237 110 C 8 Y 0.104191 -0.080643 0.031609 0.119203 0.057734 111 C 8 Z 0.026208 -0.029454 -0.003785 0.047190 -0.030264 112 C 8 X 0.018214 0.013707 0.041823 0.002391 0.042505 113 C 8 Y 0.059890 -0.035624 0.019295 0.050584 0.033147 114 C 8 Z 0.015942 -0.018327 -0.004564 0.027517 -0.019022 115 C 8 XX -0.001677 -0.009034 -0.006140 0.003620 -0.006853 116 C 8 YY 0.004767 0.005377 0.005433 -0.000004 0.006023 117 C 8 ZZ -0.003089 0.003657 0.000707 -0.003616 0.000830 118 C 8 XY 0.007708 -0.004384 0.003440 0.013192 0.008804 119 C 8 XZ -0.001357 0.000764 0.000122 -0.001417 0.002502 120 C 8 YZ -0.002504 0.005360 0.002816 -0.003538 0.006905 121 C 9 S 0.000036 -0.000131 0.001599 0.001955 0.000540 122 C 9 S -0.003634 -0.006140 -0.037245 0.006779 0.002658 123 C 9 S 0.009438 -0.008944 -0.077451 -0.037884 0.010589 124 C 9 X -0.030721 0.035439 -0.051115 0.115756 0.080475 125 C 9 Y 0.030232 -0.069666 -0.012432 0.064515 0.104985 126 C 9 Z 0.057883 -0.100013 -0.053606 0.082361 -0.178168 127 C 9 X -0.009476 0.005470 -0.029896 0.069667 0.029434 128 C 9 Y -0.032582 -0.014595 0.013096 0.047217 0.040143 129 C 9 Z 0.043497 -0.074052 -0.037334 0.054347 -0.123324 130 C 9 XX 0.004552 -0.011150 -0.002768 0.000229 -0.001908 131 C 9 YY -0.000225 0.003673 0.005086 0.007218 -0.005333 132 C 9 ZZ -0.004326 0.007478 -0.002318 -0.007447 0.007241 133 C 9 XY -0.008764 0.003683 -0.010713 0.011800 0.006291 134 C 9 XZ -0.007094 0.006869 -0.009533 0.009043 0.006407 135 C 9 YZ 0.008248 -0.009597 -0.001834 0.002670 0.015118 136 C 10 S 0.000325 0.000595 -0.000284 -0.002647 -0.001503 137 C 10 S -0.037699 -0.012196 -0.013912 0.019091 0.007945 138 C 10 S -0.014139 0.002354 0.009407 0.082826 0.039786 139 C 10 X -0.048091 -0.025897 -0.047830 -0.062478 0.006836 140 C 10 Y -0.058213 0.116958 -0.121450 0.034789 -0.049385 141 C 10 Z 0.030941 -0.026046 -0.003973 0.059115 -0.023089 142 C 10 X 0.042986 -0.020814 -0.043829 -0.224800 -0.051736 143 C 10 Y -0.043134 0.040145 -0.073802 -0.009290 -0.046486 144 C 10 Z 0.006865 -0.012977 -0.003136 0.045838 -0.013789 145 C 10 XX -0.000751 0.000372 -0.010353 -0.001644 -0.009287 146 C 10 YY 0.002078 -0.000943 0.011127 0.004175 0.007495 147 C 10 ZZ -0.001327 0.000572 -0.000774 -0.002532 0.001792 148 C 10 XY -0.003566 0.000810 -0.001314 -0.010192 -0.004315 149 C 10 XZ 0.003190 -0.001861 0.000041 0.000399 -0.002667 150 C 10 YZ -0.000039 -0.001398 0.000585 0.003826 -0.001832 151 C 11 S -0.000711 -0.000613 -0.000284 0.002073 -0.000125 152 C 11 S 0.032324 0.026990 -0.000637 -0.019866 -0.002274 153 C 11 S 0.008467 0.023722 -0.004581 -0.097176 -0.026917 154 C 11 X 0.075468 0.029697 -0.039212 0.069735 0.065808 155 C 11 Y 0.012329 -0.119397 0.123339 0.021315 0.073714 156 C 11 Z 0.024219 -0.013365 -0.013700 0.011931 0.001530 157 C 11 X -0.009459 0.008063 0.020808 0.230023 0.126260 158 C 11 Y -0.019040 -0.073168 0.046234 0.014627 0.036927 159 C 11 Z 0.013049 -0.011767 -0.006783 0.006767 0.008279 160 C 11 XX -0.000656 0.010589 0.000261 0.006466 -0.004626 161 C 11 YY 0.000291 -0.011010 0.000683 -0.009215 0.001828 162 C 11 ZZ 0.000365 0.000421 -0.000944 0.002749 0.002798 163 C 11 XY -0.003674 0.003210 0.000970 -0.009039 -0.007420 164 C 11 XZ -0.000752 0.000545 -0.000761 0.001462 0.002632 165 C 11 YZ 0.001259 -0.001503 0.000894 0.003559 -0.002111 166 C 12 S -0.001886 0.000765 0.000610 0.006830 0.002608 167 C 12 S 0.026560 0.012372 -0.016008 -0.023985 -0.021566 168 C 12 S 0.101746 0.015092 -0.049419 -0.233445 -0.102848 169 C 12 X -0.015062 0.035426 0.001755 0.129253 -0.004859 170 C 12 Y -0.062388 -0.010261 0.034132 0.108953 0.040394 171 C 12 Z -0.034347 -0.003903 0.017774 0.058904 0.022579 172 C 12 X 0.016263 -0.001009 -0.005362 -0.023372 -0.015690 173 C 12 Y -0.029890 -0.007930 0.015778 0.080714 0.031079 174 C 12 Z -0.007666 -0.002942 0.004416 0.025491 0.016789 175 C 12 XX 0.000549 0.007247 -0.003867 0.003804 -0.005140 176 C 12 YY 0.004460 -0.005518 0.000724 -0.003848 0.001887 177 C 12 ZZ -0.005009 -0.001729 0.003143 0.000044 0.003253 178 C 12 XY 0.003211 0.002572 -0.007375 -0.014078 -0.005066 179 C 12 XZ 0.003696 -0.002035 -0.001521 -0.005649 -0.002786 180 C 12 YZ 0.006765 0.003188 -0.004154 -0.013356 -0.004349 181 C 13 S -0.000081 0.000702 -0.001218 0.001829 0.000015 182 C 13 S 0.008244 -0.001483 -0.020935 0.006616 0.015238 183 C 13 S 0.020519 -0.017999 -0.026804 -0.016358 0.032397 184 C 13 X 0.007757 -0.002787 -0.028843 0.020317 0.026896 185 C 13 Y 0.076409 0.003446 -0.024306 -0.231646 -0.090127 186 C 13 Z 0.015810 -0.002005 -0.022285 -0.017966 0.007077 187 C 13 X 0.006593 -0.006349 -0.008433 -0.003041 0.013849 188 C 13 Y 0.008084 -0.001552 -0.004106 -0.044366 -0.013563 189 C 13 Z 0.003834 -0.004978 -0.002907 -0.006678 0.001961 190 C 13 XX -0.002439 0.002272 0.001110 0.002076 -0.003242 191 C 13 YY 0.003000 -0.002655 -0.002784 -0.000063 0.005210 192 C 13 ZZ -0.000561 0.000383 0.001674 -0.002013 -0.001967 193 C 13 XY 0.009670 0.000467 -0.002143 -0.021056 -0.008744 194 C 13 XZ 0.001872 -0.000122 -0.003951 -0.000493 0.001846 195 C 13 YZ 0.005382 -0.000054 -0.002355 -0.013743 -0.004313 196 C 14 S 0.001499 -0.000145 -0.001405 -0.008329 -0.003447 197 C 14 S -0.031806 0.011451 -0.006568 0.024663 -0.006207 198 C 14 S -0.099635 0.016487 0.018220 0.262199 0.084821 199 C 14 X -0.016094 0.042522 -0.015689 -0.137924 -0.111423 200 C 14 Y -0.064584 0.013186 -0.008652 0.106410 0.030711 201 C 14 Z 0.015696 0.001056 -0.000210 -0.045564 -0.021076 202 C 14 X -0.009748 0.006075 0.004517 0.009255 -0.009316 203 C 14 Y -0.032505 0.003475 0.004014 0.102520 0.037853 204 C 14 Z 0.003510 0.000436 -0.002747 -0.007459 -0.004828 205 C 14 XX -0.006709 0.008122 -0.005525 0.001747 -0.005495 206 C 14 YY -0.000422 -0.004648 0.001958 0.004951 0.005200 207 C 14 ZZ 0.007131 -0.003474 0.003567 -0.006697 0.000295 208 C 14 XY 0.001218 0.000308 0.002985 -0.018263 -0.009809 209 C 14 XZ -0.001807 -0.000268 -0.000617 0.007560 0.002258 210 C 14 YZ 0.006366 -0.002071 0.000437 -0.009912 -0.003209 211 F 15 S 0.000954 0.000059 -0.000557 -0.001337 -0.000515 212 F 15 S 0.000922 -0.000191 0.000108 -0.002009 0.000502 213 F 15 S -0.009810 -0.001364 0.006564 0.014382 0.007339 214 F 15 X 0.006438 -0.020248 0.002681 -0.097116 0.010144 215 F 15 Y 0.054429 -0.006694 -0.018946 -0.064271 -0.021853 216 F 15 Z 0.036845 0.005480 -0.022420 -0.044430 -0.022001 217 F 15 X 0.004250 -0.014537 0.002328 -0.073217 0.009074 218 F 15 Y 0.042481 -0.004709 -0.014881 -0.053688 -0.018225 219 F 15 Z 0.029664 0.004560 -0.018085 -0.040612 -0.018798 220 F 15 XX 0.000390 0.000206 -0.000296 -0.000150 -0.000248 221 F 15 YY 0.000507 0.000156 -0.000324 -0.000525 -0.000307 222 F 15 ZZ -0.000897 -0.000362 0.000620 0.000675 0.000555 223 F 15 XY 0.000144 -0.000013 -0.000078 -0.000084 -0.000057 224 F 15 XZ 0.000416 0.000125 -0.000299 -0.000090 -0.000392 225 F 15 YZ -0.000478 0.000151 0.000066 0.000051 0.000051 226 F 16 S 0.000335 0.000228 -0.000405 -0.000587 -0.000714 227 F 16 S 0.001205 -0.002490 0.000983 0.001727 -0.000665 228 F 16 S -0.001250 -0.005586 0.005468 0.008499 0.006810 229 F 16 X 0.031547 -0.064339 0.015941 -0.075937 -0.005017 230 F 16 Y 0.050019 0.018642 -0.034552 -0.086372 -0.038542 231 F 16 Z 0.014018 0.002859 -0.004292 -0.026800 -0.002443 232 F 16 X 0.023648 -0.048189 0.012469 -0.057477 -0.003465 233 F 16 Y 0.038763 0.013176 -0.027351 -0.071755 -0.032914 234 F 16 Z 0.011331 0.003530 -0.004161 -0.025040 -0.004224 235 F 16 XX 0.000490 0.000188 -0.000243 -0.000278 -0.000305 236 F 16 YY -0.000622 -0.000395 0.000404 0.000424 0.000428 237 F 16 ZZ 0.000132 0.000207 -0.000161 -0.000146 -0.000124 238 F 16 XY -0.000080 0.000889 -0.000594 -0.000646 -0.000074 239 F 16 XZ 0.000109 -0.000494 0.000234 0.000125 -0.000005 240 F 16 YZ 0.000608 0.000236 -0.000452 -0.000470 -0.000480 241 F 17 S -0.000561 0.000420 -0.000008 0.000542 -0.000054 242 F 17 S 0.000454 -0.000680 0.000570 -0.000932 0.000407 243 F 17 S 0.006284 -0.005271 0.000150 -0.006781 0.001639 244 F 17 X 0.019060 -0.046414 0.023795 0.093959 0.074582 245 F 17 Y 0.059442 -0.022910 0.015289 -0.078514 -0.018150 246 F 17 Z 0.000854 -0.007984 0.004322 0.008413 0.010773 247 F 17 X 0.013512 -0.035610 0.018339 0.072391 0.058034 248 F 17 Y 0.046240 -0.017499 0.010364 -0.067376 -0.016842 249 F 17 Z -0.000819 -0.005601 0.003173 0.010101 0.009460 250 F 17 XX -0.000653 0.000317 -0.000267 0.000431 -0.000088 251 F 17 YY 0.000603 -0.000316 0.000253 -0.000277 0.000091 252 F 17 ZZ 0.000050 -0.000002 0.000014 -0.000154 -0.000003 253 F 17 XY 0.000248 -0.000308 0.000205 -0.000300 -0.000140 254 F 17 XZ 0.000227 -0.000357 0.000205 0.000016 0.000081 255 F 17 YZ 0.000973 -0.000505 0.000323 -0.000782 0.000038 256 F 18 S -0.000662 0.000319 -0.000261 0.001479 0.000325 257 F 18 S -0.000547 0.000023 0.000654 0.000971 0.001009 258 F 18 S 0.007745 -0.003516 0.003339 -0.017956 -0.002638 259 F 18 X 0.009199 -0.037338 0.024876 0.087146 0.072208 260 F 18 Y 0.044928 -0.004924 0.006735 -0.073286 -0.021483 261 F 18 Z -0.019251 0.004338 -0.008306 0.042606 0.013467 262 F 18 X 0.006434 -0.028899 0.018666 0.066669 0.056348 263 F 18 Y 0.035213 -0.003179 0.005189 -0.063773 -0.019713 264 F 18 Z -0.016399 0.003677 -0.005596 0.037169 0.011893 265 F 18 XX -0.000436 0.000166 -0.000167 0.000244 -0.000136 266 F 18 YY -0.000295 0.000148 -0.000094 0.000413 0.000073 267 F 18 ZZ 0.000731 -0.000313 0.000261 -0.000657 0.000063 268 F 18 XY 0.000192 -0.000077 0.000139 -0.000359 -0.000154 269 F 18 XZ -0.000373 0.000393 -0.000378 0.000387 -0.000043 270 F 18 YZ -0.000635 0.000170 -0.000172 0.000636 0.000035 271 C 19 S 0.000726 -0.000530 0.000417 0.000259 0.000144 272 C 19 S 0.008758 -0.003100 0.006490 0.013019 0.012911 273 C 19 S -0.000183 0.002053 -0.003731 0.010578 0.009594 274 C 19 X -0.102788 -0.072019 -0.134976 0.017630 -0.051379 275 C 19 Y -0.053841 0.085124 0.017261 -0.101466 -0.061055 276 C 19 Z -0.058795 0.059914 0.012497 -0.050997 0.026400 277 C 19 X -0.045071 -0.038261 -0.066427 0.012997 -0.024695 278 C 19 Y -0.018949 0.040003 0.016557 -0.046272 -0.025449 279 C 19 Z -0.027800 0.030040 0.007604 -0.026655 0.015451 280 C 19 XX -0.003735 -0.007612 -0.008004 0.006590 -0.001718 281 C 19 YY 0.005273 0.000910 0.004115 -0.000336 0.002609 282 C 19 ZZ -0.001537 0.006702 0.003889 -0.006254 -0.000892 283 C 19 XY 0.006880 -0.002215 0.003959 0.005303 0.003623 284 C 19 XZ 0.001825 -0.002040 -0.000402 0.001611 0.000324 285 C 19 YZ -0.001994 0.003105 0.001523 -0.002991 0.004449 286 H 20 S -0.078829 -0.084578 -0.123951 0.044364 -0.030510 287 H 20 S -0.031615 -0.036348 -0.050770 0.020881 -0.016165 288 H 20 X 0.004176 0.005393 0.007249 -0.003085 0.001151 289 H 20 Y -0.002956 0.001469 -0.001386 -0.002455 -0.001903 290 H 20 Z -0.001659 0.002021 0.000651 -0.001648 0.000894 291 H 21 S 0.029891 0.018772 0.026478 -0.021122 -0.041137 292 H 21 S 0.008497 0.008725 0.007837 -0.014538 -0.022107 293 H 21 X -0.002196 -0.001984 -0.003233 0.000550 -0.001808 294 H 21 Y -0.002933 0.001235 -0.000899 -0.001563 0.000739 295 H 21 Z 0.000287 0.003174 0.002309 -0.003092 -0.001858 296 C 22 S -0.000985 -0.001648 0.001036 0.000162 -0.000142 297 C 22 S -0.008482 -0.013356 0.009300 -0.003284 -0.002786 298 C 22 S -0.004302 0.006179 -0.006089 -0.010913 -0.001212 299 C 22 X 0.211668 0.233888 -0.038993 0.034259 -0.007520 300 C 22 Y -0.025819 -0.054349 0.098787 -0.005101 -0.023531 301 C 22 Z -0.031700 -0.002698 0.035760 -0.000617 -0.011603 302 C 22 X 0.099328 0.110361 -0.013389 0.023093 -0.001547 303 C 22 Y -0.007477 -0.015388 0.041866 -0.003226 -0.011156 304 C 22 Z -0.015686 -0.000189 0.018751 -0.000171 -0.005362 305 C 22 XX 0.001007 0.001606 -0.002076 0.000065 -0.000092 306 C 22 YY -0.013204 -0.015064 0.005687 -0.001699 0.000172 307 C 22 ZZ 0.012197 0.013458 -0.003612 0.001634 -0.000079 308 C 22 XY -0.001800 -0.000712 -0.005643 0.000268 0.002587 309 C 22 XZ -0.001067 0.000930 0.001501 0.000100 -0.000519 310 C 22 YZ -0.001468 -0.001917 0.000392 -0.000251 0.000297 311 H 23 S -0.119923 -0.117796 -0.037804 -0.019820 0.021092 312 H 23 S -0.047177 -0.046115 -0.014373 -0.007941 0.010518 313 H 23 X -0.000835 -0.000205 -0.003454 -0.000445 0.000781 314 H 23 Y -0.008759 -0.009374 0.000118 -0.001755 0.000626 315 H 23 Z -0.001187 -0.000289 0.000962 -0.000075 -0.000380 316 H 24 S 0.095274 0.130260 -0.005517 0.018110 -0.011313 317 H 24 S 0.041282 0.053981 -0.006563 0.006800 -0.005598 318 H 24 X 0.000710 -0.000578 -0.000712 -0.000194 0.000353 319 H 24 Y 0.001068 0.000781 0.002311 0.000273 -0.000774 320 H 24 Z -0.007990 -0.009520 0.001465 -0.001297 0.000507 321 H 25 S 0.128829 0.117687 -0.047653 0.017227 0.004185 322 H 25 S 0.053529 0.050828 -0.020794 0.007755 0.000637 323 H 25 X -0.000378 0.000816 0.001307 -0.000078 -0.000606 324 H 25 Y 0.000526 -0.000287 0.002107 0.000126 -0.000581 325 H 25 Z 0.009232 0.009174 -0.002615 0.001332 -0.000083 326 C 26 S -0.000398 0.001158 0.001761 -0.000177 -0.000469 327 C 26 S 0.002010 -0.001478 -0.005119 -0.005257 0.011222 328 C 26 S 0.006843 -0.015801 -0.014081 0.008776 0.003360 329 C 26 X 0.106731 -0.073254 0.151299 -0.142008 -0.033792 330 C 26 Y -0.158086 0.145133 0.089465 0.022962 -0.182130 331 C 26 Z -0.034203 0.073165 0.007086 -0.085557 0.174466 332 C 26 X 0.054305 -0.038176 0.079439 -0.083192 -0.020347 333 C 26 Y -0.069232 0.070040 0.049326 0.015811 -0.109609 334 C 26 Z -0.018136 0.028033 -0.003791 -0.041197 0.086159 335 C 26 XX 0.010852 -0.010445 -0.000687 -0.002224 0.003515 336 C 26 YY -0.004711 0.002446 -0.001268 0.008396 -0.009989 337 C 26 ZZ -0.006141 0.007999 0.001955 -0.006172 0.006474 338 C 26 XY -0.001744 0.000336 -0.010945 0.008063 0.009699 339 C 26 XZ -0.004841 0.004352 -0.004950 0.007638 0.003092 340 C 26 YZ 0.005821 -0.005111 -0.002078 -0.002559 0.015413 341 H 27 S 0.030151 -0.053824 -0.158849 0.102235 0.108667 342 H 27 S 0.015545 -0.023330 -0.059876 0.043983 0.045167 343 H 27 X 0.005467 -0.005917 -0.006187 0.002266 0.005340 344 H 27 Y -0.002579 0.000775 -0.006934 0.006258 0.000714 345 H 27 Z -0.000013 0.000368 -0.003498 0.000854 0.007222 346 H 28 S -0.125993 0.096096 0.041985 0.075426 -0.217143 347 H 28 S -0.056474 0.038582 0.009301 0.025387 -0.093541 348 H 28 X 0.001052 -0.000652 0.004893 -0.002776 -0.004375 349 H 28 Y 0.005248 -0.002754 -0.000273 -0.005186 0.010715 350 H 28 Z -0.006557 0.006193 0.001527 0.000843 -0.005317 351 H 29 S 0.150228 -0.131555 0.088254 -0.105457 -0.011338 352 H 29 S 0.058493 -0.054039 0.034807 -0.042618 -0.010637 353 H 29 X -0.008698 0.008238 -0.001882 0.003489 -0.000388 354 H 29 Y 0.000595 -0.000587 0.005184 -0.003183 -0.005398 355 H 29 Z 0.004017 -0.002532 0.003335 -0.005337 0.003666 356 C 30 S 0.001074 -0.001205 -0.001734 -0.000151 -0.000447 357 C 30 S -0.002983 0.005861 -0.001625 -0.014834 0.017299 358 C 30 S -0.012455 0.013353 0.022029 0.000362 0.006235 359 C 30 X 0.050582 -0.080772 0.114921 0.039363 -0.026623 360 C 30 Y -0.148371 0.101706 0.174400 -0.016813 0.124054 361 C 30 Z 0.011565 0.003962 0.071760 0.117415 -0.197978 362 C 30 X 0.023723 -0.044002 0.059473 0.019392 -0.014505 363 C 30 Y -0.069732 0.053989 0.088493 -0.011136 0.075949 364 C 30 Z 0.010929 0.000994 0.024661 0.054559 -0.095795 365 C 30 XX -0.007462 0.005520 0.010842 0.002651 0.002236 366 C 30 YY 0.005417 -0.003853 -0.001235 0.006057 -0.011726 367 C 30 ZZ 0.002044 -0.001667 -0.009606 -0.008709 0.009490 368 C 30 XY 0.001237 -0.004159 0.008360 0.002454 0.000552 369 C 30 XZ 0.001069 -0.002230 0.003054 0.001605 -0.000278 370 C 30 YZ -0.005820 0.003426 0.006211 -0.002903 0.013658 371 H 31 S 0.122661 -0.079568 -0.104363 0.060998 -0.188696 372 H 31 S 0.046379 -0.029989 -0.040691 0.025791 -0.083902 373 H 31 X 0.000796 -0.001786 0.003823 0.000845 0.000256 374 H 31 Y 0.005151 -0.003335 -0.002558 0.004179 -0.010085 375 H 31 Z -0.005099 0.003428 0.006740 0.000314 0.003895 376 H 32 S -0.099497 0.107803 0.009718 -0.012357 0.032972 377 H 32 S -0.040431 0.038288 0.003133 -0.008627 0.012102 378 H 32 X -0.006571 0.005947 0.003948 -0.000530 0.001643 379 H 32 Y 0.000573 -0.002111 0.004648 0.000854 0.002083 380 H 32 Z 0.003290 -0.003197 0.001253 0.003269 -0.006014 381 H 33 S -0.037384 -0.004740 0.191576 0.041826 0.012687 382 H 33 S -0.015419 -0.002637 0.078951 0.022988 0.001104 383 H 33 X 0.004205 -0.002147 -0.010297 -0.001390 -0.001302 384 H 33 Y -0.002414 0.002754 -0.004622 -0.002266 0.002925 385 H 33 Z 0.001125 0.000467 -0.003294 0.001511 -0.005247 386 H 34 S -0.041939 0.099835 0.052134 -0.084744 0.015818 387 H 34 S -0.021530 0.042720 0.019298 -0.042257 0.005305 388 H 34 X -0.003435 -0.000277 -0.002543 -0.000778 -0.001133 389 H 34 Y 0.000803 -0.002074 -0.001652 0.000769 -0.002432 390 H 34 Z 0.001703 -0.006096 -0.003740 0.004893 -0.000202 391 F 35 S 0.000128 -0.000162 -0.000145 -0.000044 0.000170 392 F 35 S 0.000139 -0.000547 0.000798 -0.000238 -0.000617 393 F 35 S -0.000693 0.000384 0.002348 0.000278 -0.001844 394 F 35 X -0.009001 0.004936 0.026556 -0.013791 -0.026265 395 F 35 Y -0.056462 -0.002549 0.016933 0.145489 0.053942 396 F 35 Z -0.010523 -0.001716 0.014829 0.010908 0.001842 397 F 35 X -0.006824 0.003841 0.019931 -0.009710 -0.019746 398 F 35 Y -0.041957 -0.002076 0.012939 0.114153 0.042253 399 F 35 Z -0.008385 -0.000024 0.011170 0.008810 -0.000299 400 F 35 XX -0.000197 0.000011 0.000534 -0.000019 -0.000274 401 F 35 YY 0.000085 0.000005 -0.000318 0.000011 0.000178 402 F 35 ZZ 0.000111 -0.000016 -0.000216 0.000008 0.000096 403 F 35 XY -0.000146 -0.000028 0.000100 -0.000189 -0.000177 404 F 35 XZ 0.000056 0.000008 -0.000266 0.000012 0.000182 405 F 35 YZ 0.000103 0.000002 -0.000039 -0.000040 0.000018 406 F 36 S 0.000172 -0.000018 -0.000350 -0.000100 0.000378 407 F 36 S 0.000549 -0.000416 0.000020 -0.000046 -0.000302 408 F 36 S -0.001029 -0.000484 0.004083 0.001260 -0.005377 409 F 36 X 0.000606 0.000318 0.012997 -0.007869 -0.015864 410 F 36 Y -0.059670 -0.004144 0.017361 0.142142 0.052725 411 F 36 Z -0.013953 -0.000222 0.021462 0.011202 -0.007755 412 F 36 X 0.000272 0.000818 0.009452 -0.005937 -0.012778 413 F 36 Y -0.046187 -0.003093 0.013620 0.113332 0.042340 414 F 36 Z -0.010663 0.000081 0.016506 0.009772 -0.006778 415 F 36 XX 0.000054 0.000038 -0.000253 0.000017 0.000181 416 F 36 YY 0.000153 0.000033 -0.000296 0.000021 0.000167 417 F 36 ZZ -0.000207 -0.000071 0.000548 -0.000037 -0.000348 418 F 36 XY 0.000087 0.000015 -0.000033 -0.000265 -0.000087 419 F 36 XZ 0.000087 -0.000008 -0.000048 0.000076 -0.000010 420 F 36 YZ -0.000217 -0.000025 -0.000042 -0.000251 -0.000113 421 C 37 S -0.001074 0.000340 -0.001583 -0.000613 0.000869 422 C 37 S -0.015729 0.010729 -0.026933 0.004523 0.008425 423 C 37 S 0.015469 0.001982 -0.024935 0.014632 0.021652 424 C 37 X 0.051441 -0.021125 0.073352 -0.060791 -0.063230 425 C 37 Y -0.049070 0.089229 0.046266 -0.161336 -0.041501 426 C 37 Z 0.015145 -0.024293 -0.008908 0.011162 -0.067910 427 C 37 X 0.012481 -0.010473 0.029907 -0.038975 -0.046172 428 C 37 Y -0.019184 0.039366 0.003067 -0.082817 -0.028319 429 C 37 Z 0.003610 -0.011650 -0.003220 0.010104 -0.030970 430 C 37 XX 0.005013 -0.009239 -0.001806 0.003118 -0.003109 431 C 37 YY -0.003172 0.006445 -0.001075 -0.000881 0.002417 432 C 37 ZZ -0.001841 0.002794 0.002881 -0.002237 0.000691 433 C 37 XY 0.004437 -0.003836 -0.002176 0.010164 0.007095 434 C 37 XZ -0.001239 0.002048 -0.000273 -0.000062 0.007351 435 C 37 YZ 0.000570 0.000411 -0.001063 0.001972 0.003150 436 S 38 S 0.001103 0.000133 0.000850 0.000570 0.000540 437 S 38 S 0.006062 0.000914 0.004181 0.002794 0.003498 438 S 38 S -0.056727 -0.006568 -0.059214 -0.041012 -0.007094 439 S 38 S -0.141989 -0.014060 -0.125199 -0.067554 -0.033456 440 S 38 X 0.000477 0.000643 0.000438 -0.001298 0.000721 441 S 38 Y 0.002864 0.000098 0.003008 0.000515 0.000869 442 S 38 Z -0.000237 0.000335 0.000323 -0.000490 0.000359 443 S 38 X 0.004132 -0.047084 -0.016423 0.047923 -0.055186 444 S 38 Y -0.132955 -0.021163 -0.169240 -0.083212 -0.058654 445 S 38 Z 0.027961 -0.039590 -0.024549 0.071394 -0.064704 446 S 38 X -0.004152 -0.020588 0.001649 0.055162 -0.025638 447 S 38 Y -0.075470 -0.006475 -0.101056 -0.062804 -0.029253 448 S 38 Z 0.021835 -0.029524 -0.016893 0.054975 -0.049752 449 S 38 XX -0.016059 -0.006188 -0.021565 0.002332 -0.012808 450 S 38 YY 0.027684 0.004533 0.032526 0.008130 0.015232 451 S 38 ZZ -0.011625 0.001655 -0.010961 -0.010461 -0.002424 452 S 38 XY 0.002204 0.004840 0.001244 0.004269 0.008195 453 S 38 XZ 0.002263 -0.002919 -0.000702 0.004683 -0.003584 454 S 38 YZ -0.002791 0.005450 0.004582 -0.006924 0.007912 455 S 38 XX -0.003011 -0.001105 -0.004224 0.000238 -0.002520 456 S 38 YY 0.005274 0.000863 0.006411 0.001609 0.003029 457 S 38 ZZ -0.002263 0.000241 -0.002188 -0.001846 -0.000510 458 S 38 XY 0.000692 0.001077 0.000801 0.000845 0.001412 459 S 38 XZ 0.000387 -0.000444 -0.000089 0.000639 -0.000547 460 S 38 YZ -0.000338 0.000754 0.000779 -0.001022 0.001153 461 H 39 S 0.044739 -0.033179 0.040133 -0.019666 -0.047816 462 H 39 S 0.019308 -0.018709 0.015430 -0.006408 -0.019035 463 H 39 X -0.002367 0.000964 -0.002556 0.000924 0.002281 464 H 39 Y -0.001171 0.001938 0.001847 -0.003460 -0.001633 465 H 39 Z 0.000503 -0.000863 -0.000342 0.000679 -0.002230 91 92 93 94 95 -0.5017 -0.4971 -0.4885 -0.4810 -0.4677 A A A A A 1 C 1 S 0.001293 0.000685 0.000236 0.000538 0.001330 2 C 1 S 0.004198 -0.001248 0.000770 -0.003227 -0.030244 3 C 1 S -0.021376 -0.019513 -0.004378 -0.017326 -0.076752 4 C 1 X -0.025812 -0.088089 -0.133024 -0.007620 -0.091493 5 C 1 Y -0.183483 -0.101795 -0.143447 -0.041280 -0.111342 6 C 1 Z -0.010165 0.000104 0.008404 0.015984 -0.003926 7 C 1 X -0.008887 -0.044929 -0.076159 0.002698 -0.034081 8 C 1 Y -0.121022 -0.070582 -0.106154 -0.026126 -0.080197 9 C 1 Z -0.007116 -0.002701 0.005227 0.003060 -0.007403 10 C 1 XX -0.002713 0.004549 0.008276 -0.000839 0.007997 11 C 1 YY 0.001193 -0.006882 -0.012366 0.000246 -0.011374 12 C 1 ZZ 0.001520 0.002333 0.004090 0.000592 0.003377 13 C 1 XY -0.023407 -0.012708 -0.023202 -0.003703 -0.006946 14 C 1 XZ -0.000411 -0.000830 -0.001593 -0.001019 -0.001278 15 C 1 YZ 0.000505 0.000141 0.001987 0.004078 -0.001341 16 C 2 S -0.000508 -0.000042 0.000269 -0.000513 -0.001666 17 C 2 S 0.006503 0.001126 0.038199 -0.002688 -0.001625 18 C 2 S 0.059678 0.024419 0.028709 0.020485 0.056107 19 C 2 X 0.017653 0.073380 0.124882 0.004204 0.065069 20 C 2 Y 0.072196 -0.026998 0.121467 -0.012778 -0.078789 21 C 2 Z -0.007661 -0.006090 0.008360 0.037371 -0.002823 22 C 2 X 0.013212 0.026686 0.048132 0.005528 0.035782 23 C 2 Y 0.066326 0.013156 0.106444 -0.004176 -0.021237 24 C 2 Z 0.000332 -0.002446 0.002519 0.011342 -0.002296 25 C 2 XX -0.005055 0.000934 -0.001274 -0.000186 -0.002016 26 C 2 YY 0.005587 -0.000203 0.001283 0.000343 0.002899 27 C 2 ZZ -0.000532 -0.000731 -0.000009 -0.000157 -0.000883 28 C 2 XY -0.014736 -0.008511 -0.023983 -0.001126 0.002257 29 C 2 XZ -0.000216 -0.000780 -0.000876 -0.000443 -0.000464 30 C 2 YZ -0.001151 0.000505 0.001807 0.007303 0.002026 31 C 3 S -0.000961 0.000055 0.001597 0.000590 -0.000812 32 C 3 S -0.001203 0.017332 0.027588 0.002336 0.040808 33 C 3 S 0.040154 0.000127 -0.077743 0.032954 0.091919 34 C 3 X 0.012084 0.003497 -0.072390 0.028017 0.162189 35 C 3 Y -0.085789 0.036899 -0.106041 0.004614 0.123774 36 C 3 Z -0.045840 0.005386 0.015077 0.124601 0.035389 37 C 3 X -0.026340 0.024989 -0.013475 0.005060 0.100497 38 C 3 Y 0.024240 0.052838 -0.069356 0.026065 0.121429 39 C 3 Z -0.023586 0.003525 0.015503 0.069145 0.017303 40 C 3 XX -0.000216 0.008418 -0.008017 0.005957 0.007172 41 C 3 YY -0.000732 -0.009108 0.005813 -0.003910 -0.007080 42 C 3 ZZ 0.000948 0.000689 0.002204 -0.002047 -0.000091 43 C 3 XY -0.008879 0.001581 -0.016744 0.000465 0.014460 44 C 3 XZ -0.000217 0.002895 -0.003867 -0.010663 0.003725 45 C 3 YZ -0.002773 0.000864 0.000147 0.004909 0.002209 46 C 4 S -0.000963 0.000642 0.000564 -0.001178 0.002918 47 C 4 S 0.004194 -0.000560 -0.025055 -0.022558 -0.016538 48 C 4 S 0.009261 -0.018324 -0.024502 -0.020564 -0.075790 49 C 4 X 0.136300 -0.002609 0.045909 0.007839 -0.176373 50 C 4 Y -0.051030 -0.077400 0.127627 -0.099963 -0.137319 51 C 4 Z -0.067332 0.040672 0.036330 -0.004250 0.006267 52 C 4 X 0.117290 0.012191 0.020870 0.020153 -0.105347 53 C 4 Y -0.062804 -0.033073 0.094024 -0.065742 -0.068808 54 C 4 Z -0.069670 0.026078 0.028742 0.012913 -0.006150 55 C 4 XX 0.006568 0.008219 -0.000296 0.007522 0.011354 56 C 4 YY -0.000807 -0.008234 -0.006579 -0.003973 -0.000026 57 C 4 ZZ -0.005760 0.000014 0.006875 -0.003549 -0.011329 58 C 4 XY -0.005552 -0.002506 -0.002169 0.000276 0.018950 59 C 4 XZ -0.015301 -0.000403 -0.000694 -0.000668 0.006885 60 C 4 YZ 0.005035 0.007930 -0.011485 0.000161 0.008591 61 S 5 S 0.000159 -0.000699 -0.001570 0.000160 -0.001732 62 S 5 S 0.001341 -0.003891 -0.008548 0.001179 -0.009653 63 S 5 S 0.001947 0.024768 0.066656 0.003485 0.068731 64 S 5 S -0.009187 0.075055 0.183436 -0.005136 0.187812 65 S 5 X 0.000295 -0.001564 -0.003922 0.000091 -0.003233 66 S 5 Y -0.003827 -0.002080 -0.002529 -0.000818 -0.000680 67 S 5 Z 0.000043 0.000181 0.000194 -0.000915 0.000749 68 S 5 X -0.016666 0.066196 0.224566 -0.004410 0.197652 69 S 5 Y 0.207918 0.125794 0.152357 0.041846 0.070260 70 S 5 Z -0.005281 -0.004480 0.005762 0.069586 -0.042076 71 S 5 X -0.006547 0.051576 0.169629 0.003135 0.154880 72 S 5 Y 0.123764 0.080441 0.094063 0.025819 0.051807 73 S 5 Z -0.013335 -0.008772 0.005485 0.062537 -0.033480 74 S 5 XX 0.008318 0.004103 -0.013242 0.005835 0.001794 75 S 5 YY -0.007905 -0.013498 -0.009701 -0.005887 -0.021817 76 S 5 ZZ -0.000413 0.009394 0.022943 0.000051 0.020023 77 S 5 XY -0.044740 -0.021461 -0.023027 -0.010134 -0.009244 78 S 5 XZ -0.004497 -0.002218 0.003052 -0.005086 0.005824 79 S 5 YZ 0.006304 0.002614 0.000494 0.001040 -0.002900 80 S 5 XX 0.001653 0.000738 -0.001605 0.000873 0.000492 81 S 5 YY -0.001629 -0.002510 -0.002529 -0.000950 -0.004179 82 S 5 ZZ -0.000024 0.001773 0.004134 0.000078 0.003687 83 S 5 XY -0.008349 -0.004019 -0.004185 -0.001959 -0.001753 84 S 5 XZ -0.000843 -0.000405 0.000465 -0.000846 0.000926 85 S 5 YZ 0.001054 0.000426 0.000035 0.000269 -0.000566 86 H 6 S -0.063840 -0.032231 -0.151566 0.004003 0.013696 87 H 6 S -0.033241 -0.014984 -0.051793 -0.004441 0.001116 88 H 6 X -0.003019 0.000177 -0.003875 0.000019 0.000944 89 H 6 Y -0.001329 -0.001776 -0.004588 -0.000020 -0.000979 90 H 6 Z -0.000280 -0.000150 -0.000124 0.001621 0.000286 91 C 7 S -0.002432 0.000157 -0.001481 -0.000412 0.001497 92 C 7 S 0.006139 0.033989 -0.020913 -0.000066 0.001180 93 C 7 S -0.025658 0.065474 0.078538 -0.041396 -0.066592 94 C 7 X -0.069552 0.047358 0.073026 -0.005542 0.001766 95 C 7 Y 0.074614 -0.071015 0.006556 -0.020841 -0.102803 96 C 7 Z 0.000744 -0.055468 0.009538 0.177518 -0.024285 97 C 7 X -0.063525 0.065695 0.044231 -0.004319 0.003355 98 C 7 Y 0.076117 -0.092381 -0.036349 0.009469 -0.043856 99 C 7 Z -0.002309 -0.040604 0.011353 0.130325 -0.017610 100 C 7 XX -0.006767 0.009147 -0.004217 -0.005901 0.014228 101 C 7 YY 0.008265 -0.008394 0.003043 -0.002006 -0.014847 102 C 7 ZZ -0.001498 -0.000754 0.001174 0.007907 0.000619 103 C 7 XY 0.010513 0.009722 -0.011279 0.000718 -0.005916 104 C 7 XZ 0.006378 -0.002662 -0.004677 -0.015252 -0.000285 105 C 7 YZ -0.000893 -0.000619 -0.000308 0.006048 -0.001084 106 C 8 S -0.000485 -0.001484 0.001342 -0.000610 0.000879 107 C 8 S 0.010268 -0.008260 0.006079 0.000032 -0.021127 108 C 8 S 0.020913 0.024757 -0.032582 0.002896 -0.030599 109 C 8 X 0.005958 -0.248966 0.093919 -0.027937 0.101373 110 C 8 Y 0.062574 0.025277 -0.081585 -0.029477 0.042788 111 C 8 Z 0.007008 -0.035958 -0.003207 0.062176 0.002155 112 C 8 X -0.018720 -0.156637 0.062790 -0.032338 0.078354 113 C 8 Y 0.033202 0.001436 -0.035369 -0.013474 0.040309 114 C 8 Z 0.003988 -0.027251 0.000473 0.045628 0.003701 115 C 8 XX -0.001637 0.031115 -0.009126 0.004365 -0.015595 116 C 8 YY 0.002950 -0.026149 0.005938 -0.002795 0.013177 117 C 8 ZZ -0.001313 -0.004967 0.003187 -0.001570 0.002418 118 C 8 XY 0.011431 -0.007790 -0.005854 -0.002535 0.003975 119 C 8 XZ 0.001262 0.003517 -0.001425 -0.010340 0.001569 120 C 8 YZ 0.001062 0.000283 -0.000477 -0.004610 0.001834 121 C 9 S -0.000962 0.001091 0.001770 0.000098 -0.000111 122 C 9 S -0.027026 -0.041230 0.024779 0.014671 0.007857 123 C 9 S 0.025738 -0.076692 -0.025599 0.050136 -0.001178 124 C 9 X 0.137056 -0.093608 -0.093207 -0.014050 0.013555 125 C 9 Y 0.045190 0.037203 -0.085164 -0.012096 0.184683 126 C 9 Z 0.023753 -0.061427 -0.009595 -0.166540 0.056039 127 C 9 X 0.080178 -0.010818 -0.037181 -0.015722 -0.007290 128 C 9 Y 0.060741 0.012358 -0.064827 -0.005385 0.117393 129 C 9 Z 0.050358 -0.049680 -0.031064 -0.094277 0.047318 130 C 9 XX 0.000320 0.012394 -0.007123 -0.005886 0.010854 131 C 9 YY 0.006744 -0.009264 -0.002532 -0.007081 0.002190 132 C 9 ZZ -0.007064 -0.003130 0.009655 0.012967 -0.013045 133 C 9 XY 0.004170 -0.005480 -0.010908 0.001527 0.013224 134 C 9 XZ 0.011858 -0.004396 -0.003733 -0.002206 -0.002796 135 C 9 YZ 0.001440 0.003255 -0.005593 0.010992 0.009879 136 C 10 S 0.000329 -0.002198 -0.000677 0.002052 0.000699 137 C 10 S -0.004901 0.001856 0.010030 -0.003490 -0.010145 138 C 10 S -0.067715 0.040099 0.062296 -0.050790 -0.010215 139 C 10 X 0.101793 -0.040591 -0.064462 0.073679 -0.000163 140 C 10 Y -0.091836 0.090476 -0.046736 0.005072 0.079762 141 C 10 Z -0.054649 -0.028132 0.065960 0.220055 -0.026376 142 C 10 X 0.162122 -0.067476 -0.159274 0.117584 0.048863 143 C 10 Y -0.073275 0.064655 -0.025149 -0.003646 0.056058 144 C 10 Z -0.038812 -0.011375 0.051905 0.134003 -0.022445 145 C 10 XX -0.014373 0.008950 0.003183 0.001370 0.008277 146 C 10 YY 0.010528 -0.009489 -0.001236 0.001515 -0.008041 147 C 10 ZZ 0.003844 0.000539 -0.001948 -0.002886 -0.000236 148 C 10 XY 0.008887 -0.002884 -0.011376 0.008916 0.005100 149 C 10 XZ 0.003934 -0.003947 -0.001424 0.009183 -0.002289 150 C 10 YZ 0.000638 -0.000193 -0.000591 -0.007499 -0.000654 151 C 11 S -0.003221 -0.000269 0.001399 -0.000153 -0.000566 152 C 11 S 0.016995 -0.013870 -0.013788 0.003577 -0.017607 153 C 11 S 0.021285 0.002121 -0.049508 0.009269 0.024710 154 C 11 X 0.002251 -0.011966 0.070796 -0.039903 -0.104563 155 C 11 Y 0.084900 -0.091215 0.046233 -0.011359 -0.065082 156 C 11 Z -0.044694 -0.015093 0.047385 0.204864 -0.007396 157 C 11 X -0.088415 0.000263 0.161470 -0.078283 -0.139492 158 C 11 Y 0.035167 -0.060588 0.020680 -0.013613 -0.063897 159 C 11 Z -0.028103 -0.009771 0.033910 0.139131 -0.010051 160 C 11 XX -0.010157 0.006657 -0.008742 0.000537 0.013765 161 C 11 YY 0.009469 -0.006397 0.006705 -0.000430 -0.011042 162 C 11 ZZ 0.000688 -0.000259 0.002038 -0.000107 -0.002724 163 C 11 XY 0.003246 0.001217 -0.015634 0.008313 0.013762 164 C 11 XZ -0.003100 0.001177 0.001258 0.003284 0.001451 165 C 11 YZ -0.001614 -0.002176 0.003281 0.010328 -0.001927 166 C 12 S -0.004231 0.002055 0.004637 -0.004747 -0.001894 167 C 12 S -0.014094 0.017568 -0.006224 -0.001702 0.010797 168 C 12 S 0.098763 -0.026383 -0.148952 0.107511 0.066740 169 C 12 X -0.159210 0.078253 0.090228 -0.064314 0.005610 170 C 12 Y -0.053373 0.008412 0.058772 -0.039718 -0.015612 171 C 12 Z -0.028062 0.005582 0.031826 -0.018415 -0.010901 172 C 12 X -0.000534 0.007243 -0.012332 0.007111 0.011058 173 C 12 Y -0.039311 0.013508 0.054582 -0.038124 -0.020215 174 C 12 Z -0.010329 -0.000440 0.016755 -0.014805 -0.006208 175 C 12 XX -0.010648 0.005983 0.000866 0.001299 0.004322 176 C 12 YY 0.007046 -0.004985 0.000925 0.008367 -0.004575 177 C 12 ZZ 0.003602 -0.000998 -0.001791 -0.009666 0.000252 178 C 12 XY 0.009745 -0.001045 -0.012313 0.007047 0.004744 179 C 12 XZ 0.003586 -0.004930 -0.001462 0.016151 0.000054 180 C 12 YZ 0.006436 0.000581 -0.008813 -0.002119 0.003115 181 C 13 S -0.001327 -0.000081 0.000883 0.003342 -0.000602 182 C 13 S 0.017562 -0.010674 0.007276 0.022218 -0.022074 183 C 13 S 0.063180 -0.020370 0.001304 -0.002469 -0.038833 184 C 13 X 0.018828 -0.012000 0.016778 0.014620 -0.030418 185 C 13 Y 0.122382 -0.028397 -0.151218 0.082592 0.065124 186 C 13 Z 0.030677 -0.012692 -0.008940 0.019727 -0.013144 187 C 13 X 0.020578 -0.006402 0.005118 -0.003316 -0.015919 188 C 13 Y 0.026732 -0.008426 -0.029914 0.019884 0.016281 189 C 13 Z 0.010822 -0.001267 -0.000669 0.009363 -0.005771 190 C 13 XX -0.006882 0.004405 -0.000667 -0.004120 0.005489 191 C 13 YY 0.007442 -0.004720 0.001957 0.002365 -0.006876 192 C 13 ZZ -0.000559 0.000315 -0.001290 0.001755 0.001387 193 C 13 XY 0.008694 -0.001364 -0.011243 0.005016 0.004643 194 C 13 XZ 0.003203 -0.001390 0.000193 0.002710 -0.002227 195 C 13 YZ 0.008279 -0.002154 -0.008041 0.004385 0.002390 196 C 14 S 0.004011 0.000025 -0.005088 0.001437 0.003413 197 C 14 S -0.026733 0.018030 -0.005287 0.001582 0.030268 198 C 14 S -0.149441 0.028271 0.127814 -0.042671 -0.046116 199 C 14 X 0.004325 0.034418 -0.134609 0.056676 0.136594 200 C 14 Y -0.058130 0.020300 0.044965 -0.014936 -0.001961 201 C 14 Z 0.017398 -0.002143 -0.026501 0.014437 0.014971 202 C 14 X -0.013823 0.008252 -0.014660 0.002132 0.017828 203 C 14 Y -0.055249 0.011126 0.062468 -0.020268 -0.026036 204 C 14 Z 0.006550 -0.001295 -0.006830 -0.005927 0.003200 205 C 14 XX -0.008842 0.006555 -0.002924 -0.000108 0.006140 206 C 14 YY 0.002323 -0.003440 0.005551 0.004093 -0.004247 207 C 14 ZZ 0.006520 -0.003115 -0.002627 -0.003986 -0.001893 208 C 14 XY 0.006437 -0.001031 -0.012893 0.004094 0.009253 209 C 14 XZ -0.006113 0.000193 0.006028 0.009147 -0.001936 210 C 14 YZ 0.003638 -0.002847 -0.003156 0.013406 0.001309 211 F 15 S 0.000428 -0.000129 -0.000739 0.000612 0.000401 212 F 15 S 0.002156 0.000114 -0.002251 -0.005966 0.000451 213 F 15 S -0.002330 0.002378 0.006332 -0.018168 -0.004834 214 F 15 X 0.105555 -0.036645 -0.065918 -0.026159 0.002642 215 F 15 Y 0.032992 -0.009333 -0.024111 0.046674 -0.000172 216 F 15 Z 0.012788 -0.005572 -0.016754 0.042231 0.006547 217 F 15 X 0.081984 -0.029205 -0.050755 -0.021138 0.001298 218 F 15 Y 0.028419 -0.009475 -0.021942 0.040154 0.001041 219 F 15 Z 0.013293 -0.005039 -0.017652 0.033035 0.007263 220 F 15 XX -0.000349 0.000173 0.000091 0.000234 0.000115 221 F 15 YY 0.000067 -0.000008 -0.000209 0.000372 0.000105 222 F 15 ZZ 0.000281 -0.000165 0.000117 -0.000606 -0.000220 223 F 15 XY 0.000123 -0.000080 -0.000095 0.000178 -0.000009 224 F 15 XZ -0.000056 -0.000219 -0.000032 0.001446 0.000002 225 F 15 YZ 0.000072 0.000047 -0.000198 -0.000447 0.000115 226 F 16 S -0.000169 0.000441 -0.000313 0.000449 0.000197 227 F 16 S 0.000299 0.003456 0.000510 0.003751 -0.004451 228 F 16 S 0.003199 0.001562 0.003074 0.000942 -0.010340 229 F 16 X 0.096686 -0.028483 -0.044811 0.068451 -0.026593 230 F 16 Y 0.034556 0.019662 -0.058626 0.005137 0.017024 231 F 16 Z 0.017379 0.000647 -0.013728 -0.010563 -0.000109 232 F 16 X 0.074237 -0.022181 -0.034141 0.052550 -0.020966 233 F 16 Y 0.028367 0.014083 -0.048086 0.009405 0.014877 234 F 16 Z 0.015333 0.000661 -0.014474 -0.007172 0.001628 235 F 16 XX -0.000187 0.000266 -0.000129 0.000049 0.000131 236 F 16 YY 0.000226 -0.000681 0.000326 0.000247 -0.000082 237 F 16 ZZ -0.000039 0.000416 -0.000196 -0.000296 -0.000048 238 F 16 XY 0.000210 -0.000595 -0.000380 -0.000137 0.000616 239 F 16 XZ 0.000063 0.000055 0.000135 0.000402 -0.000261 240 F 16 YZ -0.000143 0.000215 -0.000220 0.000418 0.000153 241 F 17 S -0.000625 0.000287 0.000001 0.000383 0.000333 242 F 17 S 0.001663 -0.000799 0.002471 0.004296 -0.000411 243 F 17 S 0.009848 -0.004112 0.005621 0.001532 -0.005275 244 F 17 X -0.001928 -0.023870 0.097050 -0.001309 -0.066057 245 F 17 Y 0.041889 -0.026690 -0.029788 0.042957 -0.005129 246 F 17 Z 0.008926 -0.006124 0.011391 -0.004403 -0.008797 247 F 17 X -0.001689 -0.019111 0.076277 -0.000708 -0.052581 248 F 17 Y 0.036862 -0.020950 -0.027740 0.031979 -0.002027 249 F 17 Z 0.004537 -0.003476 0.011261 -0.006566 -0.007973 250 F 17 XX -0.000481 0.000305 -0.000030 -0.000137 0.000197 251 F 17 YY 0.000226 -0.000307 -0.000010 0.000313 -0.000233 252 F 17 ZZ 0.000255 0.000002 0.000040 -0.000176 0.000035 253 F 17 XY 0.000208 0.000012 -0.000016 0.000458 0.000542 254 F 17 XZ 0.000061 -0.000102 0.000155 0.000516 0.000180 255 F 17 YZ 0.000703 -0.000415 -0.000032 0.000111 -0.000333 256 F 18 S -0.000872 0.000265 0.000584 -0.000304 0.000022 257 F 18 S 0.001382 -0.000252 0.000264 -0.006185 -0.000980 258 F 18 S 0.013746 -0.003649 -0.007038 -0.005995 -0.001830 259 F 18 X 0.013720 -0.020685 0.068059 -0.078976 -0.069234 260 F 18 Y 0.038905 -0.008020 -0.037686 -0.027582 0.003417 261 F 18 Z -0.024890 0.006883 0.021267 0.007908 -0.004806 262 F 18 X 0.011698 -0.016700 0.053879 -0.062354 -0.056179 263 F 18 Y 0.033857 -0.006735 -0.034594 -0.019804 0.005484 264 F 18 Z -0.020929 0.005585 0.018127 0.002354 -0.004765 265 F 18 XX -0.000335 0.000203 -0.000155 0.000267 0.000379 266 F 18 YY -0.000286 0.000122 0.000090 -0.000129 0.000041 267 F 18 ZZ 0.000621 -0.000325 0.000065 -0.000137 -0.000420 268 F 18 XY 0.000244 -0.000004 -0.000288 -0.000124 0.000268 269 F 18 XZ -0.000636 0.000137 0.000368 0.000783 -0.000195 270 F 18 YZ -0.000474 0.000127 0.000192 0.000649 0.000187 271 C 19 S -0.000071 -0.000335 0.000037 -0.000102 0.000619 272 C 19 S 0.012078 -0.019376 -0.003781 -0.006471 0.014062 273 C 19 S 0.019827 -0.009447 -0.005783 -0.004316 -0.004305 274 C 19 X -0.017253 0.155590 -0.050923 0.022934 -0.034926 275 C 19 Y -0.062962 0.033452 0.051784 0.029791 -0.065988 276 C 19 Z -0.007869 0.036703 0.002532 -0.052586 -0.003627 277 C 19 X -0.003471 0.087789 -0.032724 0.014161 -0.018724 278 C 19 Y -0.032672 0.007778 0.029756 0.011915 -0.028105 279 C 19 Z -0.003938 0.020768 0.001115 -0.034860 -0.000320 280 C 19 XX 0.000847 0.014873 -0.007828 0.000551 -0.002139 281 C 19 YY 0.001385 -0.013552 0.004241 0.000082 0.004476 282 C 19 ZZ -0.002231 -0.001322 0.003587 -0.000633 -0.002336 283 C 19 XY 0.003298 -0.003811 -0.001717 -0.001259 0.002137 284 C 19 XZ 0.000585 0.000136 -0.000791 0.000004 0.000375 285 C 19 YZ 0.000703 0.001076 -0.000152 -0.006825 0.001711 286 H 20 S 0.002139 0.140056 -0.064673 0.012073 -0.015309 287 H 20 S -0.002961 0.072375 -0.034072 0.006098 -0.012102 288 H 20 X -0.000833 -0.007094 0.004049 -0.000447 0.000208 289 H 20 Y -0.001760 0.001113 0.001155 0.000850 -0.001072 290 H 20 Z -0.000247 0.000539 0.000301 -0.001577 0.000062 291 H 21 S -0.023785 -0.048563 0.038955 0.050318 -0.022485 292 H 21 S -0.012997 -0.025377 0.021356 0.023247 -0.008097 293 H 21 X -0.000609 0.004144 -0.001230 0.001234 -0.001545 294 H 21 Y -0.000260 0.003974 -0.000940 -0.001596 -0.000903 295 H 21 Z -0.001832 -0.001778 0.002504 0.001478 -0.001619 296 C 22 S 0.000491 0.000176 0.000166 0.000121 0.000893 297 C 22 S 0.024004 0.007163 0.011534 0.004996 0.003227 298 C 22 S 0.012528 -0.000930 -0.001851 0.002119 -0.015747 299 C 22 X 0.005711 0.050352 0.023079 0.004242 0.033702 300 C 22 Y 0.164403 0.076207 0.086407 0.034356 0.049670 301 C 22 Z 0.012004 0.002252 -0.005940 -0.021176 0.005836 302 C 22 X 0.012177 0.032772 0.021793 0.003721 0.023234 303 C 22 Y 0.078570 0.040432 0.046112 0.016781 0.028818 304 C 22 Z 0.006600 0.002191 -0.005188 -0.012857 0.004898 305 C 22 XX -0.000301 0.001665 0.003320 0.000063 0.002814 306 C 22 YY 0.000905 -0.003856 -0.004023 -0.000473 -0.003968 307 C 22 ZZ -0.000604 0.002191 0.000704 0.000410 0.001153 308 C 22 XY -0.013283 -0.008797 -0.010248 -0.002780 -0.007334 309 C 22 XZ -0.000662 -0.000526 -0.001575 -0.001839 -0.000159 310 C 22 YZ 0.000527 -0.000004 0.000407 0.000924 -0.000157 311 H 23 S -0.112408 -0.087764 -0.078508 -0.025302 -0.060348 312 H 23 S -0.055572 -0.042988 -0.045265 -0.012405 -0.030719 313 H 23 X -0.005171 -0.002610 -0.002011 -0.001098 -0.001482 314 H 23 Y -0.002943 -0.003838 -0.003424 -0.000558 -0.002599 315 H 23 Z 0.000017 -0.000217 -0.000423 -0.000698 -0.000030 316 H 24 S 0.004099 0.026422 0.007216 -0.014193 0.021791 317 H 24 S -0.001775 0.012891 0.009518 -0.004759 0.015273 318 H 24 X -0.000038 0.000027 0.000079 0.000982 -0.000093 319 H 24 Y 0.004525 0.002637 0.003057 0.000677 0.001973 320 H 24 Z 0.000178 -0.001692 -0.000508 0.000363 -0.001340 321 H 25 S 0.000789 0.027501 0.023040 0.019980 0.015967 322 H 25 S -0.000417 0.015430 0.015384 0.006168 0.014447 323 H 25 X 0.000119 0.000032 -0.000639 -0.000790 0.000249 324 H 25 Y 0.004524 0.002558 0.003286 0.001042 0.001906 325 H 25 Z 0.000253 0.002042 0.001376 0.000791 0.001356 326 C 26 S 0.000149 0.001063 0.000152 -0.001921 -0.000284 327 C 26 S -0.012169 -0.004258 0.008030 0.035363 -0.015053 328 C 26 S 0.002967 -0.017522 -0.005497 0.055948 -0.016460 329 C 26 X -0.116568 0.045640 0.018529 -0.080105 -0.005912 330 C 26 Y 0.009436 -0.046443 0.039729 0.022380 -0.072068 331 C 26 Z -0.043617 0.030083 0.034090 0.155560 -0.068957 332 C 26 X -0.067821 0.023422 0.010121 -0.043973 -0.004278 333 C 26 Y 0.006574 -0.026461 0.017096 0.013796 -0.049926 334 C 26 Z -0.015172 0.008501 0.021096 0.081341 -0.021884 335 C 26 XX -0.001068 0.003171 -0.002687 -0.008626 0.005768 336 C 26 YY 0.005466 -0.002815 -0.001993 -0.003677 0.001141 337 C 26 ZZ -0.004398 -0.000356 0.004680 0.012303 -0.006909 338 C 26 XY 0.006850 -0.002183 -0.003818 0.004635 0.002878 339 C 26 XZ 0.007621 -0.005161 -0.003657 0.002474 0.000217 340 C 26 YZ -0.001607 0.004126 -0.003005 0.004061 0.007363 341 H 27 S 0.083571 -0.013426 -0.048890 0.019042 0.061518 342 H 27 S 0.041621 -0.007327 -0.026022 0.002555 0.030045 343 H 27 X 0.001149 0.000392 -0.001476 0.000374 0.002855 344 H 27 Y 0.004494 -0.002014 -0.000489 0.002421 0.001066 345 H 27 Z 0.001710 0.000480 -0.001392 0.004116 -0.000398 346 H 28 S 0.041031 -0.061999 0.020563 -0.024187 -0.042294 347 H 28 S 0.015418 -0.036443 0.016489 -0.021691 -0.009692 348 H 28 X -0.003056 0.000410 0.001040 -0.002261 -0.000476 349 H 28 Y -0.002524 0.004050 -0.000590 0.000999 -0.000560 350 H 28 Z 0.000322 -0.002331 0.002236 0.002591 -0.003905 351 H 29 S -0.094840 0.050288 0.000069 -0.103146 0.036766 352 H 29 S -0.039816 0.029230 0.010140 -0.051222 0.030296 353 H 29 X 0.003884 -0.001431 0.000899 0.005149 -0.002823 354 H 29 Y -0.003374 0.000054 0.001315 -0.002664 -0.000893 355 H 29 Z -0.003945 0.002635 0.001206 0.001233 -0.000118 356 C 30 S -0.000592 -0.000905 -0.000195 0.001006 -0.000208 357 C 30 S -0.005771 0.002186 -0.000539 -0.019375 -0.008540 358 C 30 S 0.015564 0.007556 -0.008658 -0.037067 -0.005608 359 C 30 X -0.151751 -0.027307 -0.023157 0.076652 0.070138 360 C 30 Y 0.014998 0.065331 -0.068799 0.058684 0.050269 361 C 30 Z 0.062507 -0.032112 -0.030546 0.011426 0.033426 362 C 30 X -0.094089 -0.015750 -0.007431 0.038398 0.053756 363 C 30 Y 0.009219 0.036730 -0.047938 0.040460 0.020975 364 C 30 Z 0.019624 -0.018935 -0.017802 0.008808 0.007601 365 C 30 XX 0.002615 0.003420 -0.004228 0.005681 0.004008 366 C 30 YY 0.000738 -0.003303 -0.000152 -0.000083 0.000890 367 C 30 ZZ -0.003353 -0.000117 0.004380 -0.005599 -0.004898 368 C 30 XY -0.010953 -0.001152 -0.003292 0.004632 0.007716 369 C 30 XZ -0.008168 -0.000835 -0.002141 0.001490 0.007146 370 C 30 YZ 0.000328 0.006660 -0.005510 0.003807 0.006484 371 H 31 S 0.003392 -0.073559 0.044006 -0.054055 -0.033206 372 H 31 S 0.004884 -0.032371 0.026700 -0.024065 -0.015595 373 H 31 X -0.004399 -0.000333 -0.001089 0.002648 0.002143 374 H 31 Y 0.001107 -0.002892 0.001030 -0.002676 0.000447 375 H 31 Z 0.001807 0.002632 -0.003347 0.002969 0.002609 376 H 32 S 0.143113 0.044591 -0.018596 -0.025193 -0.033254 377 H 32 S 0.065522 0.014418 -0.004803 -0.007911 -0.008436 378 H 32 X 0.006110 0.002013 -0.002585 -0.001480 0.000581 379 H 32 Y -0.005872 0.000070 -0.000896 0.003738 0.002575 380 H 32 Z -0.003424 -0.002024 0.000197 0.000780 0.002175 381 H 33 S -0.099274 0.011443 -0.063634 0.085499 0.094596 382 H 33 S -0.041689 0.008441 -0.027241 0.044667 0.052164 383 H 33 X 0.002334 -0.001358 0.003206 -0.003215 -0.003489 384 H 33 Y 0.004983 0.001280 0.000883 -0.002101 -0.002284 385 H 33 Z 0.004210 -0.001265 0.001058 -0.001857 -0.002034 386 H 34 S -0.023790 -0.006834 0.037275 -0.040861 -0.014383 387 H 34 S -0.013101 -0.006815 0.020040 -0.015461 -0.004689 388 H 34 X -0.000787 0.004513 -0.000949 -0.000196 -0.001523 389 H 34 Y -0.000569 0.001567 -0.000264 0.002443 -0.001535 390 H 34 Z 0.001717 0.001560 -0.002681 0.001110 0.001021 391 F 35 S 0.000304 -0.000122 -0.000017 -0.000037 -0.000141 392 F 35 S -0.000690 0.000657 -0.000372 -0.001526 0.001589 393 F 35 S -0.003506 0.001742 0.000096 -0.002092 0.003535 394 F 35 X -0.024312 0.016789 -0.013413 -0.018667 0.030630 395 F 35 Y -0.077139 0.020226 0.087694 -0.048348 -0.036385 396 F 35 Z -0.010202 0.004330 0.005246 -0.016806 0.002121 397 F 35 X -0.018588 0.012032 -0.009999 -0.012781 0.023084 398 F 35 Y -0.060631 0.015975 0.070304 -0.038813 -0.030040 399 F 35 Z -0.010438 0.004368 0.003316 -0.013298 0.003683 400 F 35 XX -0.000389 0.000225 -0.000026 -0.000279 0.000275 401 F 35 YY 0.000258 -0.000159 -0.000004 0.000194 -0.000189 402 F 35 ZZ 0.000131 -0.000067 0.000030 0.000085 -0.000086 403 F 35 XY 0.000086 0.000026 -0.000315 0.000170 0.000220 404 F 35 XZ 0.000258 -0.000115 -0.000037 0.000045 -0.000171 405 F 35 YZ 0.000054 -0.000038 0.000031 0.000002 -0.000048 406 F 36 S 0.000577 -0.000246 -0.000002 -0.000375 -0.000342 407 F 36 S -0.000647 -0.000121 0.000793 0.002528 0.000052 408 F 36 S -0.008686 0.003267 0.001690 0.009445 0.004445 409 F 36 X -0.014670 0.000320 0.000777 0.030904 0.007443 410 F 36 Y -0.069510 0.016173 0.079881 -0.039356 -0.034277 411 F 36 Z -0.022927 0.008723 0.005315 -0.005015 0.010544 412 F 36 X -0.011758 0.000238 -0.000416 0.024177 0.006823 413 F 36 Y -0.055694 0.012667 0.064860 -0.032247 -0.028133 414 F 36 Z -0.020137 0.007434 0.004856 -0.002136 0.009004 415 F 36 XX 0.000268 -0.000017 -0.000064 -0.000408 -0.000105 416 F 36 YY 0.000162 -0.000131 0.000079 0.000066 -0.000205 417 F 36 ZZ -0.000429 0.000148 -0.000014 0.000343 0.000310 418 F 36 XY 0.000120 0.000016 -0.000153 -0.000064 0.000071 419 F 36 XZ -0.000074 -0.000118 0.000183 0.000654 -0.000200 420 F 36 YZ 0.000328 -0.000099 -0.000466 0.000329 0.000196 421 C 37 S 0.002277 0.000450 0.000640 -0.000403 -0.000803 422 C 37 S 0.010218 -0.028587 -0.015516 -0.007794 0.041795 423 C 37 S -0.017261 -0.040053 -0.019039 -0.000759 0.064754 424 C 37 X -0.078714 0.133266 0.037561 0.025391 -0.132318 425 C 37 Y -0.087629 -0.062982 0.139750 0.021859 -0.065265 426 C 37 Z -0.016292 -0.036179 0.028566 0.022330 -0.012834 427 C 37 X -0.015309 0.089039 -0.002929 0.018914 -0.083497 428 C 37 Y -0.015383 -0.009471 0.065555 0.017069 -0.050535 429 C 37 Z -0.007984 -0.015956 0.011736 0.024847 -0.005646 430 C 37 XX -0.004381 0.018353 -0.004913 -0.001122 -0.000082 431 C 37 YY 0.004861 -0.017985 0.004596 -0.002603 0.001745 432 C 37 ZZ -0.000480 -0.000368 0.000317 0.003725 -0.001663 433 C 37 XY 0.006342 -0.015496 -0.004094 -0.004537 0.013429 434 C 37 XZ 0.001886 -0.000047 -0.001545 0.000692 0.002343 435 C 37 YZ 0.001981 -0.004641 -0.000438 0.007216 0.000537 436 S 38 S 0.000901 0.000751 -0.000747 0.000181 -0.001233 437 S 38 S 0.005133 0.003352 -0.004093 0.001173 -0.006518 438 S 38 S -0.031319 -0.056116 0.032752 -0.001076 0.047125 439 S 38 S -0.100889 -0.113266 0.093241 -0.018426 0.138606 440 S 38 X 0.000849 -0.003838 0.000536 0.000188 0.001312 441 S 38 Y 0.001772 -0.000394 -0.000479 0.000098 -0.002092 442 S 38 Z 0.000061 0.000393 0.000041 -0.001685 0.000092 443 S 38 X 0.002706 0.300236 -0.102353 0.023160 -0.149962 444 S 38 Y -0.088888 -0.014807 0.020551 0.003758 0.173687 445 S 38 Z -0.006050 -0.053523 0.002594 0.219702 -0.026956 446 S 38 X -0.010801 0.191100 -0.057690 0.001693 -0.108977 447 S 38 Y -0.058186 -0.040184 0.020518 0.001897 0.132469 448 S 38 Z -0.004730 -0.044770 0.000823 0.178995 -0.020191 449 S 38 XX -0.006169 0.046846 -0.016870 0.004005 -0.010871 450 S 38 YY 0.012615 -0.027900 0.008021 -0.003488 -0.008303 451 S 38 ZZ -0.006447 -0.018946 0.008849 -0.000517 0.019174 452 S 38 XY 0.007163 -0.013074 -0.003662 -0.003367 0.005235 453 S 38 XZ 0.000880 -0.001177 -0.001645 0.008218 -0.002068 454 S 38 YZ 0.001532 0.005091 -0.001200 -0.022376 0.002270 455 S 38 XX -0.000979 0.008773 -0.003280 0.000951 -0.001948 456 S 38 YY 0.002417 -0.005589 0.001651 -0.000821 -0.001603 457 S 38 ZZ -0.001438 -0.003184 0.001629 -0.000130 0.003551 458 S 38 XY 0.001207 -0.002171 -0.000516 -0.000511 0.000214 459 S 38 XZ 0.000158 -0.000058 -0.000259 0.000962 -0.000349 460 S 38 YZ 0.000252 0.000751 -0.000200 -0.003333 0.000359 461 H 39 S -0.050760 0.136332 -0.004449 0.015174 -0.082644 462 H 39 S -0.033232 0.071651 0.007592 0.005988 -0.031635 463 H 39 X 0.001874 -0.005308 0.000910 -0.000860 0.003622 464 H 39 Y -0.004043 0.000210 0.002101 0.000872 -0.003551 465 H 39 Z -0.000468 -0.000950 0.000719 0.000663 -0.000461 96 97 98 99 100 -0.4465 -0.4345 -0.3994 -0.3592 1.8199 A A A A A 1 C 1 S -0.000481 0.000291 0.000149 0.000031 -0.000385 2 C 1 S -0.013975 -0.006369 -0.004631 0.001135 0.004663 3 C 1 S -0.017397 -0.012444 -0.018433 0.001616 0.013020 4 C 1 X -0.031826 -0.014657 0.005902 0.000322 0.018880 5 C 1 Y 0.029088 -0.009629 -0.002617 0.002559 -0.002713 6 C 1 Z -0.008805 0.008832 0.132366 -0.003149 0.248600 7 C 1 X -0.008875 -0.006375 0.007462 0.001837 0.015388 8 C 1 Y 0.029958 -0.008232 0.001146 0.000798 -0.002595 9 C 1 Z -0.005903 0.010274 0.095034 -0.010766 0.164791 10 C 1 XX 0.010458 0.003234 0.004861 -0.000643 -0.003795 11 C 1 YY -0.012316 -0.003637 -0.004604 0.000554 0.000265 12 C 1 ZZ 0.001857 0.000403 -0.000257 0.000089 0.003529 13 C 1 XY 0.004752 0.000499 0.003051 0.000243 0.002062 14 C 1 XZ -0.001443 0.002634 0.009784 -0.001453 -0.024048 15 C 1 YZ -0.003647 0.001379 0.023048 0.000431 0.006856 16 C 2 S -0.001044 0.000266 -0.000603 0.000018 -0.000800 17 C 2 S 0.030303 0.002168 0.005009 -0.002853 0.003818 18 C 2 S 0.043805 0.009229 0.036227 -0.004642 0.016584 19 C 2 X 0.035565 0.010919 0.006763 0.001563 0.016633 20 C 2 Y 0.033896 -0.011903 -0.002628 -0.007461 -0.013702 21 C 2 Z 0.001910 -0.034665 0.014518 0.028161 0.360523 22 C 2 X 0.015691 0.002799 0.007846 0.002288 0.014534 23 C 2 Y 0.005418 -0.005198 0.006205 -0.004553 -0.003443 24 C 2 Z 0.002479 -0.015282 -0.011342 0.009258 0.244172 25 C 2 XX -0.001318 -0.000456 -0.000202 0.000239 0.003473 26 C 2 YY 0.000362 0.000996 0.001997 -0.000630 -0.002988 27 C 2 ZZ 0.000956 -0.000540 -0.001795 0.000391 -0.000484 28 C 2 XY 0.003062 0.000862 0.002549 0.000371 -0.002229 29 C 2 XZ -0.000745 0.001858 0.009046 -0.001593 0.013687 30 C 2 YZ 0.001248 -0.006586 -0.003056 0.006147 0.013011 31 C 3 S -0.001145 0.000063 0.000512 0.000654 0.000093 32 C 3 S 0.007771 0.007707 0.012995 0.006133 -0.001790 33 C 3 S 0.082157 0.016691 0.039654 -0.006595 -0.012642 34 C 3 X 0.093816 0.028214 0.042742 -0.001168 -0.031677 35 C 3 Y -0.001394 0.026575 0.021053 0.005245 -0.017434 36 C 3 Z 0.022718 -0.112917 -0.055674 0.104466 0.228274 37 C 3 X 0.083040 0.022719 -0.005230 -0.013118 -0.030119 38 C 3 Y 0.019191 0.029652 0.047919 -0.006146 -0.009975 39 C 3 Z 0.009115 -0.077967 -0.041757 0.069271 0.170959 40 C 3 XX -0.012151 -0.001175 0.000237 0.002348 -0.000667 41 C 3 YY 0.012266 -0.000940 0.002455 -0.001592 0.003378 42 C 3 ZZ -0.000116 0.002115 -0.002691 -0.000756 -0.002711 43 C 3 XY 0.005630 0.002047 0.002830 -0.001093 -0.002254 44 C 3 XZ 0.001066 0.015230 0.001477 -0.006556 0.001697 45 C 3 YZ 0.001937 -0.003163 -0.004991 0.002346 -0.020563 46 C 4 S 0.005797 0.003661 0.000160 0.000882 -0.000100 47 C 4 S 0.016698 0.004459 -0.005281 -0.016515 0.001732 48 C 4 S -0.077939 -0.049306 -0.026763 -0.039556 -0.008063 49 C 4 X -0.185302 -0.036351 -0.030373 -0.001481 0.001376 50 C 4 Y 0.164720 -0.028848 0.009181 -0.031026 0.033830 51 C 4 Z 0.033518 0.090258 -0.106515 -0.010324 -0.049481 52 C 4 X -0.138459 -0.019935 -0.016128 -0.012610 0.013339 53 C 4 Y 0.150271 -0.033161 -0.016922 -0.042797 0.002076 54 C 4 Z 0.050544 0.079840 -0.038432 -0.002661 -0.019005 55 C 4 XX -0.012514 -0.001634 0.006609 0.002553 0.001165 56 C 4 YY -0.001760 -0.007151 0.009809 0.000406 0.005498 57 C 4 ZZ 0.014274 0.008785 -0.016418 -0.002959 -0.006662 58 C 4 XY 0.026000 0.002988 -0.002566 0.003259 0.002725 59 C 4 XZ 0.008840 0.006011 0.013126 -0.004029 -0.011017 60 C 4 YZ -0.012452 0.005566 -0.011162 -0.003643 -0.006794 61 S 5 S -0.001230 -0.000329 -0.000104 0.000044 0.000362 62 S 5 S -0.006508 -0.001731 -0.000569 0.000252 0.002680 63 S 5 S 0.049395 0.013906 0.004551 -0.001585 0.007041 64 S 5 S 0.154389 0.039612 0.009670 -0.005069 -0.007135 65 S 5 X -0.004349 -0.000935 -0.000615 0.000039 -0.000082 66 S 5 Y 0.002552 0.000494 0.000456 -0.000030 -0.000185 67 S 5 Z 0.001081 -0.000248 -0.003143 0.000024 -0.000361 68 S 5 X 0.275857 0.068809 0.104015 -0.011137 -0.023606 69 S 5 Y -0.121989 -0.016254 -0.056097 0.002092 0.012783 70 S 5 Z -0.089341 0.039848 0.474435 0.000103 -0.071127 71 S 5 X 0.216785 0.057290 0.105447 -0.007853 -0.025509 72 S 5 Y -0.076682 -0.012333 -0.056302 0.005448 0.015457 73 S 5 Z -0.065934 0.033160 0.479591 0.003498 -0.108154 74 S 5 XX -0.022162 -0.002965 -0.002330 0.000989 -0.003190 75 S 5 YY 0.002913 -0.003537 0.001426 0.000464 0.005379 76 S 5 ZZ 0.019249 0.006502 0.000905 -0.001453 -0.002189 77 S 5 XY 0.029979 0.003546 0.000019 0.000157 -0.000719 78 S 5 XZ 0.016972 -0.002188 -0.014573 0.000324 -0.010245 79 S 5 YZ -0.008384 -0.001369 -0.018453 0.000677 -0.018136 80 S 5 XX -0.003567 -0.000386 -0.000001 0.000161 -0.000568 81 S 5 YY 0.000216 -0.000789 0.000139 0.000053 0.000893 82 S 5 ZZ 0.003351 0.001175 -0.000139 -0.000214 -0.000325 83 S 5 XY 0.005717 0.000669 -0.000085 0.000049 -0.000098 84 S 5 XZ 0.002890 -0.000313 -0.001393 0.000037 -0.001946 85 S 5 YZ -0.001631 -0.000230 -0.002880 -0.000001 -0.002969 86 H 6 S -0.025265 0.003324 0.003409 0.002880 -0.007104 87 H 6 S -0.017752 0.000043 0.003404 0.002938 -0.000281 88 H 6 X -0.001145 0.000338 -0.000287 0.000170 0.000381 89 H 6 Y -0.001003 -0.000191 -0.000507 -0.000076 -0.000816 90 H 6 Z 0.000001 -0.001549 0.000244 0.001028 0.012787 91 C 7 S 0.002142 -0.000029 0.000275 -0.002577 0.000497 92 C 7 S -0.017726 -0.014063 -0.005677 -0.013904 0.001617 93 C 7 S -0.081729 -0.010301 -0.035801 0.017660 0.009236 94 C 7 X -0.159999 -0.014962 -0.017798 -0.059899 -0.015537 95 C 7 Y 0.142722 0.011917 0.023053 0.006707 0.006174 96 C 7 Z 0.028570 -0.039730 0.022176 -0.127309 -0.110080 97 C 7 X -0.101249 0.001699 -0.009627 -0.021881 0.000203 98 C 7 Y 0.148610 0.014653 0.033243 0.004113 0.005572 99 C 7 Z 0.005483 -0.015072 0.017300 -0.111420 -0.088562 100 C 7 XX -0.013479 0.002378 -0.002781 0.000023 0.002186 101 C 7 YY 0.015582 -0.001722 0.003741 -0.000015 0.001929 102 C 7 ZZ -0.002104 -0.000656 -0.000960 -0.000008 -0.004114 103 C 7 XY 0.011374 0.002290 -0.000616 0.002388 -0.000382 104 C 7 XZ 0.004352 0.009862 0.001907 0.001781 0.012001 105 C 7 YZ -0.002695 0.023323 -0.004927 -0.013252 0.011226 106 C 8 S -0.001713 0.000154 -0.000349 -0.000149 0.000071 107 C 8 S 0.026444 0.000692 0.003655 0.006457 0.004997 108 C 8 S 0.062123 -0.000490 0.009834 0.015731 0.002122 109 C 8 X -0.081918 -0.016216 -0.004741 -0.024790 -0.002886 110 C 8 Y 0.007376 -0.024949 0.001920 -0.033676 -0.002104 111 C 8 Z -0.026850 0.189471 -0.024635 0.283830 -0.035279 112 C 8 X -0.059733 -0.006616 -0.001253 -0.022649 -0.002017 113 C 8 Y -0.010607 -0.012062 -0.001278 -0.025576 0.000883 114 C 8 Z -0.025502 0.148488 -0.021389 0.227340 -0.029369 115 C 8 XX 0.008593 0.001746 0.000105 -0.000347 0.000818 116 C 8 YY -0.006649 0.002388 -0.000367 0.006246 -0.001348 117 C 8 ZZ -0.001945 -0.004135 0.000262 -0.005899 0.000531 118 C 8 XY 0.005497 0.000459 0.001075 0.000404 0.000064 119 C 8 XZ 0.002529 -0.014916 0.003976 0.014395 -0.006165 120 C 8 YZ 0.002083 -0.013606 0.000458 -0.030939 0.005227 121 C 9 S -0.001683 -0.000780 -0.001428 0.000696 -0.000765 122 C 9 S -0.003301 -0.000858 0.013679 0.006121 0.008098 123 C 9 S 0.032673 0.017733 0.055921 0.008526 0.016491 124 C 9 X 0.143487 -0.005009 0.025677 0.020482 0.002047 125 C 9 Y -0.144143 0.023322 -0.059828 -0.023812 -0.029943 126 C 9 Z -0.022844 -0.090117 0.043769 -0.036250 0.047229 127 C 9 X 0.074518 -0.010596 -0.001343 0.048394 0.006263 128 C 9 Y -0.106653 -0.032684 -0.057768 -0.028253 -0.051820 129 C 9 Z -0.026685 -0.054609 0.036861 -0.018762 0.042585 130 C 9 XX -0.014482 -0.001940 -0.002982 -0.002008 0.002129 131 C 9 YY 0.004340 -0.008375 0.006132 -0.007032 0.005429 132 C 9 ZZ 0.010142 0.010315 -0.003150 0.009041 -0.007558 133 C 9 XY 0.013561 0.000142 0.002327 -0.002774 -0.001271 134 C 9 XZ 0.005424 0.003654 -0.001776 0.016581 0.002143 135 C 9 YZ -0.012017 0.004270 -0.001608 0.011175 -0.006914 136 C 10 S 0.001327 -0.000412 -0.000276 0.000058 -0.001345 137 C 10 S 0.003929 -0.004724 -0.004319 0.009317 -0.004461 138 C 10 S 0.000162 0.020142 0.005349 0.009089 0.025136 139 C 10 X 0.067167 -0.034827 -0.000595 0.017796 -0.026453 140 C 10 Y -0.022806 -0.000295 0.006240 0.006669 -0.011198 141 C 10 Z -0.017092 -0.184744 0.007149 -0.009064 -0.179470 142 C 10 X 0.119241 -0.038481 0.032457 0.005869 -0.041349 143 C 10 Y -0.037179 0.001044 0.001150 0.009355 -0.002291 144 C 10 Z -0.015652 -0.140878 0.006642 0.009371 -0.147843 145 C 10 XX -0.015452 -0.000845 -0.001257 -0.005014 -0.001878 146 C 10 YY 0.014337 -0.000490 0.001796 0.002517 -0.000080 147 C 10 ZZ 0.001114 0.001335 -0.000539 0.002497 0.001958 148 C 10 XY 0.010687 -0.002306 0.001446 0.000938 -0.001641 149 C 10 XZ 0.003152 -0.001192 0.001249 -0.006520 -0.004761 150 C 10 YZ -0.001547 0.012757 0.002813 -0.013021 -0.004308 151 C 11 S -0.000063 -0.000496 0.000475 0.000379 -0.000104 152 C 11 S -0.001372 0.002203 -0.003601 0.001474 0.005081 153 C 11 S 0.023419 0.013985 -0.037624 -0.008458 -0.001046 154 C 11 X -0.070267 0.002490 -0.016870 0.000114 0.008524 155 C 11 Y 0.059784 0.005728 0.002623 0.002486 0.004464 156 C 11 Z 0.000009 -0.215353 -0.041711 0.114479 0.028601 157 C 11 X -0.106518 -0.010447 -0.051108 0.008123 0.015371 158 C 11 Y -0.002844 -0.005119 0.002021 0.011770 0.004479 159 C 11 Z -0.005132 -0.147756 -0.030652 0.088317 0.005510 160 C 11 XX 0.000405 0.002336 0.002638 -0.000974 -0.003696 161 C 11 YY 0.000477 -0.001738 -0.002438 0.000220 0.002383 162 C 11 ZZ -0.000882 -0.000598 -0.000201 0.000754 0.001313 163 C 11 XY 0.009192 -0.000406 0.003318 0.000827 -0.003356 164 C 11 XZ 0.000346 -0.003784 -0.002982 0.005261 0.014670 165 C 11 YZ -0.001417 -0.008838 0.002408 -0.002411 -0.019104 166 C 12 S -0.002733 0.002245 -0.000436 -0.000806 0.001832 167 C 12 S -0.021621 0.003129 -0.000057 -0.007731 -0.001604 168 C 12 S 0.045420 -0.038591 0.021800 -0.002259 -0.045154 169 C 12 X -0.099608 0.012418 -0.003047 -0.015545 0.001325 170 C 12 Y -0.017405 0.007595 -0.001706 0.002560 0.006536 171 C 12 Z -0.007574 -0.002528 -0.000172 0.004554 -0.011719 172 C 12 X -0.010155 0.001560 0.004077 -0.014404 -0.006447 173 C 12 Y -0.026810 0.014221 -0.005907 -0.007068 0.016335 174 C 12 Z -0.004984 0.012626 -0.002916 -0.009468 0.003163 175 C 12 XX -0.004301 -0.001886 0.000759 -0.000660 -0.003700 176 C 12 YY 0.002613 -0.006721 -0.000488 0.001578 -0.003728 177 C 12 ZZ 0.001688 0.008607 -0.000271 -0.000917 0.007427 178 C 12 XY 0.005399 0.000185 0.000498 -0.000251 -0.000691 179 C 12 XZ 0.002473 -0.011392 0.000628 0.000283 -0.012119 180 C 12 YZ 0.002531 0.004778 0.000328 -0.000500 0.004304 181 C 13 S -0.000592 -0.003553 0.000167 0.002049 -0.002797 182 C 13 S 0.000579 -0.021199 -0.002993 0.008659 -0.009313 183 C 13 S 0.011828 0.011227 -0.009810 -0.013246 0.022902 184 C 13 X -0.004055 -0.015993 -0.004333 0.004579 -0.001827 185 C 13 Y 0.077932 -0.004514 0.012050 -0.004543 -0.016457 186 C 13 Z 0.008556 -0.011273 -0.001558 0.003927 -0.005684 187 C 13 X 0.004808 0.002970 -0.004151 -0.004175 0.009915 188 C 13 Y 0.019991 0.001963 0.003026 -0.008018 -0.007691 189 C 13 Z 0.001816 -0.004971 -0.000485 0.002750 -0.004340 190 C 13 XX -0.001852 0.004294 0.000816 -0.002289 0.002067 191 C 13 YY 0.001186 -0.002298 -0.000858 0.001127 -0.000099 192 C 13 ZZ 0.000666 -0.001997 0.000042 0.001163 -0.001969 193 C 13 XY 0.003002 0.000843 0.000504 -0.001381 0.000346 194 C 13 XZ 0.000280 -0.002554 -0.000355 0.000933 -0.001593 195 C 13 YZ 0.004022 -0.000381 0.000346 0.000015 -0.000227 196 C 14 S 0.003453 0.001362 0.000728 -0.000951 0.000180 197 C 14 S 0.005906 0.000620 0.005166 0.000228 -0.005108 198 C 14 S -0.081551 -0.029900 -0.014246 0.021231 -0.012737 199 C 14 X 0.058101 0.004988 0.019283 -0.005242 -0.015234 200 C 14 Y -0.015719 -0.006408 -0.000195 0.004392 -0.002969 201 C 14 Z 0.011344 -0.004375 0.001187 0.003739 -0.003808 202 C 14 X -0.000334 -0.000862 0.001548 0.004264 -0.000141 203 C 14 Y -0.031413 -0.011466 -0.005399 0.007314 -0.005170 204 C 14 Z 0.006267 0.002556 -0.000443 0.000481 0.007015 205 C 14 XX -0.003614 -0.000149 -0.000028 0.000176 0.000836 206 C 14 YY 0.002058 -0.004631 -0.000549 0.001937 -0.001128 207 C 14 ZZ 0.001556 0.004779 0.000576 -0.002112 0.000292 208 C 14 XY 0.008430 0.002065 0.001576 -0.001207 -0.000364 209 C 14 XZ -0.002392 -0.012186 -0.002392 0.006642 0.001256 210 C 14 YZ 0.003129 -0.011037 -0.001442 0.005539 -0.000880 211 F 15 S 0.000194 -0.000080 -0.000003 -0.000345 -0.000137 212 F 15 S 0.001839 0.006274 -0.000378 -0.000734 0.008160 213 F 15 S 0.000768 0.011776 -0.001066 0.003000 0.018670 214 F 15 X 0.052356 0.033910 0.000445 0.009287 0.026501 215 F 15 Y 0.008919 -0.028403 -0.000249 0.006118 -0.011656 216 F 15 Z 0.000942 -0.027639 0.001052 -0.000037 -0.022146 217 F 15 X 0.041948 0.028348 0.000285 0.008009 0.023944 218 F 15 Y 0.009630 -0.023656 0.000238 0.004853 -0.011561 219 F 15 Z 0.002382 -0.020261 0.001319 -0.000417 -0.017734 220 F 15 XX -0.000366 -0.000261 0.000031 -0.000098 -0.000318 221 F 15 YY -0.000028 -0.000173 -0.000030 -0.000026 0.000072 222 F 15 ZZ 0.000393 0.000435 -0.000001 0.000124 0.000245 223 F 15 XY 0.000086 0.000079 -0.000003 -0.000141 0.000065 224 F 15 XZ 0.000189 -0.000789 0.000032 -0.000056 -0.000354 225 F 15 YZ 0.000109 0.000418 0.000022 -0.000086 0.000058 226 F 16 S -0.000241 -0.000371 0.000054 -0.000027 -0.000195 227 F 16 S 0.001244 -0.002533 -0.000049 -0.000699 -0.003473 228 F 16 S 0.006376 0.000925 -0.000665 -0.001577 -0.004217 229 F 16 X 0.048049 -0.022672 0.000364 -0.001492 -0.013416 230 F 16 Y 0.012625 0.015634 0.001912 -0.002700 0.010808 231 F 16 Z 0.007277 0.001872 0.000515 0.007167 0.005963 232 F 16 X 0.038530 -0.018099 0.000320 0.000367 -0.011417 233 F 16 Y 0.010441 0.008218 0.001919 -0.000808 0.006192 234 F 16 Z 0.007450 0.002373 0.000660 0.005430 0.005443 235 F 16 XX -0.000166 -0.000015 0.000022 0.000019 -0.000016 236 F 16 YY 0.000123 -0.000107 -0.000033 -0.000096 0.000005 237 F 16 ZZ 0.000043 0.000122 0.000010 0.000077 0.000011 238 F 16 XY 0.000251 -0.000012 0.000059 0.000236 -0.000158 239 F 16 XZ -0.000088 -0.000089 -0.000022 -0.000277 -0.000231 240 F 16 YZ -0.000204 0.000050 -0.000040 -0.000229 0.000018 241 F 17 S -0.000160 -0.000234 -0.000032 0.000105 -0.000042 242 F 17 S 0.001756 -0.004147 -0.000978 0.002922 0.002473 243 F 17 S 0.004916 -0.003968 -0.001772 0.004005 0.006361 244 F 17 X -0.017710 -0.028364 -0.011773 0.017568 0.015424 245 F 17 Y 0.015794 -0.027170 -0.004369 0.012942 0.000195 246 F 17 Z 0.002950 0.001408 -0.000043 -0.000771 -0.001885 247 F 17 X -0.014143 -0.023132 -0.009546 0.014302 0.012189 248 F 17 Y 0.014775 -0.018326 -0.002917 0.008972 0.001585 249 F 17 Z 0.000514 0.002919 0.000123 -0.001338 -0.000957 250 F 17 XX -0.000139 0.000094 0.000060 -0.000099 -0.000320 251 F 17 YY 0.000039 -0.000271 -0.000074 0.000138 0.000212 252 F 17 ZZ 0.000101 0.000177 0.000014 -0.000039 0.000108 253 F 17 XY 0.000445 -0.000140 0.000103 0.000021 0.000043 254 F 17 XZ 0.000227 -0.000418 -0.000021 0.000237 0.000152 255 F 17 YZ 0.000091 -0.000048 -0.000043 0.000044 0.000070 256 F 18 S -0.000182 -0.000113 -0.000058 0.000076 0.000048 257 F 18 S 0.000379 0.006864 0.001104 -0.004294 -0.000400 258 F 18 S 0.003582 0.013692 0.002864 -0.009449 -0.001710 259 F 18 X -0.023134 0.044061 0.001336 -0.020678 -0.004898 260 F 18 Y 0.006793 0.037034 0.004616 -0.016426 0.005448 261 F 18 Z -0.009559 -0.018768 -0.003884 0.009927 -0.001417 262 F 18 X -0.018656 0.035304 0.000787 -0.017199 -0.002996 263 F 18 Y 0.007856 0.030435 0.004293 -0.014161 0.004104 264 F 18 Z -0.008828 -0.012475 -0.003014 0.007098 -0.001087 265 F 18 XX 0.000063 -0.000241 -0.000020 0.000147 0.000089 266 F 18 YY -0.000056 0.000042 0.000024 -0.000029 -0.000135 267 F 18 ZZ -0.000006 0.000198 -0.000004 -0.000118 0.000046 268 F 18 XY 0.000197 0.000200 0.000107 -0.000062 -0.000232 269 F 18 XZ -0.000302 -0.000880 -0.000248 0.000423 0.000296 270 F 18 YZ 0.000043 -0.000582 -0.000054 0.000201 -0.000069 271 C 19 S -0.000927 0.000073 -0.000116 -0.000041 -0.000122 272 C 19 S -0.001348 -0.002141 0.000505 0.000356 -0.001852 273 C 19 S 0.016883 -0.007872 0.002485 0.002341 -0.001174 274 C 19 X 0.018926 0.010841 -0.001183 0.004724 0.002921 275 C 19 Y 0.006877 0.014834 -0.000411 0.008129 0.003500 276 C 19 Z 0.014825 -0.096487 0.012489 -0.064002 0.000091 277 C 19 X 0.015326 0.007640 -0.000166 0.004023 0.001845 278 C 19 Y -0.000725 0.011128 -0.001131 0.004183 0.002508 279 C 19 Z 0.011786 -0.070006 0.011934 -0.033855 -0.006172 280 C 19 XX 0.003086 0.000670 0.000034 0.000565 0.000096 281 C 19 YY -0.003661 0.002491 -0.000587 0.003351 -0.000568 282 C 19 ZZ 0.000574 -0.003160 0.000552 -0.003916 0.000472 283 C 19 XY 0.000231 0.000543 -0.000102 0.001283 -0.000256 284 C 19 XZ 0.000195 -0.001242 0.000222 -0.003051 0.000338 285 C 19 YZ 0.001460 -0.015292 0.001977 -0.019279 0.002137 286 H 20 S 0.017858 0.004943 -0.000921 0.001885 0.001283 287 H 20 S 0.008745 0.003632 -0.000650 0.000502 0.001156 288 H 20 X -0.000839 -0.000079 0.000024 -0.000061 0.000011 289 H 20 Y -0.000182 0.000453 -0.000063 0.000134 0.000122 290 H 20 Z 0.000206 -0.002582 0.000292 -0.001436 -0.000047 291 H 21 S -0.013340 0.085765 -0.009793 0.078387 -0.004886 292 H 21 S -0.010138 0.040884 -0.003239 0.069028 -0.013430 293 H 21 X 0.000726 0.001176 -0.000172 -0.000221 0.000416 294 H 21 Y 0.001044 -0.003511 0.000288 -0.003561 0.000511 295 H 21 Z -0.000245 0.001628 -0.000107 0.000952 0.000011 296 C 22 S 0.000259 0.000156 -0.000193 -0.000014 -0.000013 297 C 22 S -0.014644 -0.002170 -0.004463 -0.000080 -0.000479 298 C 22 S -0.016930 -0.006018 -0.002864 -0.000946 -0.001012 299 C 22 X -0.004368 0.003188 -0.006084 0.001019 -0.000187 300 C 22 Y -0.058648 -0.003270 -0.006848 -0.000543 -0.001654 301 C 22 Z 0.008430 -0.004206 -0.080669 -0.001295 -0.020097 302 C 22 X -0.008048 0.002637 -0.004576 0.000976 -0.001824 303 C 22 Y -0.024465 -0.000233 0.001543 -0.000974 -0.003476 304 C 22 Z 0.006409 -0.002768 -0.067840 -0.000698 -0.019123 305 C 22 XX 0.002026 0.000576 -0.000253 0.000034 -0.001068 306 C 22 YY -0.001008 -0.000660 -0.000461 -0.000123 -0.000699 307 C 22 ZZ -0.001018 0.000084 0.000714 0.000088 0.001768 308 C 22 XY 0.002860 -0.000318 0.001625 0.000041 0.001549 309 C 22 XZ 0.001066 -0.000702 -0.008814 0.000331 -0.009604 310 C 22 YZ -0.000752 0.000524 0.006774 -0.000267 0.010684 311 H 23 S 0.038604 -0.000861 0.010086 -0.000404 0.001655 312 H 23 S 0.021164 0.000468 0.008602 -0.000365 -0.000093 313 H 23 X 0.002326 0.000181 0.000345 -0.000028 -0.000048 314 H 23 Y 0.000501 -0.000201 0.000447 0.000006 -0.000012 315 H 23 Z 0.000334 -0.000196 -0.002218 -0.000031 -0.000087 316 H 24 S 0.004467 -0.002466 -0.068031 0.001009 -0.036297 317 H 24 S 0.009936 -0.000083 -0.017952 0.002252 -0.038804 318 H 24 X -0.000253 0.000169 0.002849 0.000076 0.000880 319 H 24 Y -0.001082 0.000106 -0.000334 -0.000129 -0.001471 320 H 24 Z -0.000089 -0.000055 0.001496 -0.000003 0.000051 321 H 25 S -0.013514 0.005440 0.061344 0.000201 0.036274 322 H 25 S 0.001550 0.004712 0.017256 -0.002299 0.037438 323 H 25 X 0.000673 -0.000070 -0.002326 -0.000065 -0.000860 324 H 25 Y -0.001141 -0.000060 -0.000415 0.000022 0.001259 325 H 25 Z -0.000650 0.000134 0.001282 0.000058 0.000278 326 C 26 S -0.000188 -0.001110 -0.000816 -0.001141 0.000265 327 C 26 S 0.006538 0.012957 0.006774 0.023394 -0.015757 328 C 26 S -0.003124 0.019537 0.018738 0.054480 -0.031745 329 C 26 X -0.057808 0.059103 0.044130 0.021344 -0.010155 330 C 26 Y 0.039789 0.066327 -0.021405 0.015484 -0.018213 331 C 26 Z 0.045181 0.075020 -0.028838 0.051997 -0.044205 332 C 26 X -0.039253 0.030555 0.034619 0.012508 -0.014393 333 C 26 Y 0.022698 0.046858 -0.005209 0.011422 -0.002771 334 C 26 Z 0.022687 0.037610 -0.023606 0.034325 -0.030937 335 C 26 XX -0.004885 -0.002198 0.001946 -0.000902 0.002449 336 C 26 YY 0.000909 -0.003004 -0.001495 -0.002671 -0.000180 337 C 26 ZZ 0.003976 0.005202 -0.000451 0.003573 -0.002268 338 C 26 XY 0.004405 -0.004211 0.000431 -0.005207 -0.000055 339 C 26 XZ 0.007636 -0.001737 -0.000652 -0.000659 0.000205 340 C 26 YZ -0.005665 0.001585 -0.000685 0.000392 -0.000399 341 H 27 S 0.011215 -0.082854 -0.005439 -0.038181 0.014230 342 H 27 S 0.005249 -0.034965 -0.005397 -0.030662 0.008031 343 H 27 X -0.001650 -0.004746 0.000027 -0.000545 0.000246 344 H 27 Y 0.001992 -0.003477 -0.000694 -0.000405 0.001243 345 H 27 Z 0.001152 0.000500 -0.001082 0.001144 -0.001357 346 H 28 S 0.035494 0.008213 -0.006028 0.000902 -0.001046 347 H 28 S 0.015543 -0.014257 -0.000750 -0.004039 -0.000138 348 H 28 X -0.001369 0.002133 0.001113 -0.000925 -0.000043 349 H 28 Y 0.000021 -0.000449 -0.000219 -0.000071 -0.000489 350 H 28 Z 0.003054 0.001807 -0.000424 0.001460 -0.001176 351 H 29 S -0.080872 0.013608 0.040850 0.012696 0.008491 352 H 29 S -0.032103 0.011501 -0.001647 -0.004591 0.017241 353 H 29 X 0.003176 0.000640 -0.003264 -0.000173 -0.000169 354 H 29 Y -0.001310 0.002246 0.002453 0.000245 -0.000596 355 H 29 Z -0.001310 0.002269 -0.000432 0.000945 -0.000877 356 C 30 S -0.000755 0.000087 0.001251 0.000669 0.001475 357 C 30 S 0.012325 0.018068 -0.035926 -0.016093 -0.012612 358 C 30 S 0.008267 0.014376 -0.074582 -0.029222 -0.028740 359 C 30 X 0.071621 -0.054979 -0.042944 -0.021269 0.005351 360 C 30 Y -0.061159 -0.006578 0.053931 -0.001699 0.038763 361 C 30 Z -0.051558 -0.075892 0.100786 0.021718 0.044071 362 C 30 X 0.058930 -0.026064 -0.020169 -0.022269 0.002804 363 C 30 Y -0.049348 0.004641 0.033254 0.002018 0.035911 364 C 30 Z -0.030317 -0.043323 0.058987 0.003332 0.034309 365 C 30 XX -0.005660 -0.003099 0.006205 0.001094 0.002393 366 C 30 YY -0.000444 -0.002118 0.001414 0.001440 0.000412 367 C 30 ZZ 0.006103 0.005217 -0.007619 -0.002534 -0.002805 368 C 30 XY 0.007219 -0.002532 -0.006185 0.000493 0.003264 369 C 30 XZ 0.008706 0.000153 -0.001789 -0.001369 0.000054 370 C 30 YZ -0.006331 0.002737 -0.001401 -0.000816 -0.000876 371 H 31 S 0.043262 -0.025451 -0.013317 0.002478 -0.011788 372 H 31 S 0.026685 -0.013924 0.006873 0.003332 0.006273 373 H 31 X 0.001595 -0.001363 -0.000240 -0.000660 -0.000591 374 H 31 Y 0.001184 -0.001879 -0.000942 -0.000352 -0.001362 375 H 31 Z -0.003917 -0.000624 0.002965 0.000913 0.001114 376 H 32 S -0.106428 0.021672 0.076166 0.010634 0.006638 377 H 32 S -0.051956 0.013361 0.045830 0.008533 -0.002551 378 H 32 X -0.003777 0.001966 0.003311 0.000250 0.001543 379 H 32 Y 0.002150 -0.001233 -0.001080 -0.000592 -0.000185 380 H 32 Z 0.002926 -0.002422 0.001429 0.000242 0.001100 381 H 33 S 0.023481 -0.049412 -0.004222 -0.007318 0.029184 382 H 33 S 0.013319 -0.022454 0.007531 0.018667 0.007536 383 H 33 X 0.000374 0.001705 -0.000705 0.000593 -0.001295 384 H 33 Y -0.002722 0.002625 0.001037 0.001643 -0.000068 385 H 33 Z -0.001849 -0.001402 0.002207 0.000063 0.001364 386 H 34 S 0.009250 -0.086375 0.011461 -0.078344 0.005455 387 H 34 S -0.001075 -0.040621 0.002839 -0.070658 0.014324 388 H 34 X 0.000915 -0.001077 0.000268 0.000285 -0.000229 389 H 34 Y 0.000114 0.003363 -0.000246 0.003375 -0.000287 390 H 34 Z -0.000108 0.002319 -0.000294 0.001744 -0.000113 391 F 35 S -0.000002 0.000169 0.000003 -0.000031 0.000034 392 F 35 S -0.000160 0.001974 0.000431 -0.001022 0.001037 393 F 35 S 0.000177 0.001198 0.000654 -0.001424 0.001439 394 F 35 X 0.000068 0.019066 0.004393 -0.007060 0.004693 395 F 35 Y -0.042710 0.002506 -0.006096 0.002344 0.007061 396 F 35 Z -0.003291 0.008037 0.000337 -0.001156 0.001879 397 F 35 X 0.000106 0.012923 0.003560 -0.004709 0.002672 398 F 35 Y -0.035031 0.001685 -0.004957 0.002083 0.005975 399 F 35 Z -0.003406 0.006944 0.000454 -0.001751 0.002127 400 F 35 XX -0.000027 0.000125 0.000032 0.000020 -0.000078 401 F 35 YY 0.000033 -0.000117 -0.000025 0.000011 0.000009 402 F 35 ZZ -0.000006 -0.000008 -0.000008 -0.000031 0.000069 403 F 35 XY 0.000282 -0.000012 0.000084 -0.000024 -0.000197 404 F 35 XZ 0.000016 -0.000030 -0.000024 -0.000009 -0.000002 405 F 35 YZ -0.000041 0.000007 -0.000012 -0.000017 0.000010 406 F 36 S 0.000148 0.000276 -0.000073 -0.000203 0.000245 407 F 36 S 0.000218 -0.002729 -0.000059 0.000850 -0.002391 408 F 36 S -0.001654 -0.008904 0.001138 0.004828 -0.008966 409 F 36 X 0.000879 -0.024874 -0.000559 0.006437 -0.011153 410 F 36 Y -0.034828 -0.000270 -0.003969 0.000640 0.000920 411 F 36 Z -0.003020 -0.001589 0.000854 0.001299 -0.003798 412 F 36 X 0.000594 -0.019551 -0.000336 0.005167 -0.009247 413 F 36 Y -0.028971 0.000107 -0.003433 0.000620 0.001250 414 F 36 Z -0.003215 -0.002679 0.001031 0.001977 -0.004571 415 F 36 XX 0.000022 0.000439 0.000011 -0.000158 0.000295 416 F 36 YY -0.000090 -0.000074 -0.000042 0.000039 0.000000 417 F 36 ZZ 0.000068 -0.000365 0.000031 0.000119 -0.000295 418 F 36 XY 0.000030 0.000107 -0.000020 0.000015 0.000177 419 F 36 XZ -0.000047 -0.000529 -0.000057 0.000127 -0.000119 420 F 36 YZ 0.000406 -0.000046 0.000088 -0.000042 -0.000184 421 C 37 S 0.000413 -0.000840 -0.000233 0.000146 -0.000315 422 C 37 S -0.011209 -0.000041 -0.000756 0.005875 -0.002147 423 C 37 S -0.019037 0.028647 0.005990 0.006399 0.009110 424 C 37 X -0.005665 -0.002757 -0.002013 -0.019436 -0.000538 425 C 37 Y -0.032076 -0.015982 -0.003576 -0.058274 0.012089 426 C 37 Z -0.028980 0.123177 -0.002697 0.336705 -0.051455 427 C 37 X -0.004626 -0.018377 -0.004248 -0.011715 -0.006919 428 C 37 Y -0.019069 -0.016489 -0.006900 -0.040459 0.011181 429 C 37 Z -0.017084 0.084845 -0.003858 0.290418 -0.059064 430 C 37 XX -0.007001 0.001394 -0.002498 -0.001049 -0.000631 431 C 37 YY 0.006456 -0.005160 0.003074 -0.004095 0.002241 432 C 37 ZZ 0.000545 0.003766 -0.000576 0.005144 -0.001610 433 C 37 XY -0.002314 -0.000110 0.000611 -0.000129 -0.000295 434 C 37 XZ 0.000750 -0.004154 -0.000300 -0.009159 0.000110 435 C 37 YZ -0.001014 0.015466 -0.002261 0.023401 -0.004458 436 S 38 S 0.001780 0.000141 0.000164 0.000205 0.000093 437 S 38 S 0.010264 0.000962 0.000925 0.001309 0.000594 438 S 38 S -0.045370 0.000828 -0.003299 -0.001278 0.000369 439 S 38 S -0.176297 -0.007158 -0.018502 -0.015340 -0.004941 440 S 38 X -0.000070 0.000057 0.000022 0.000122 -0.000046 441 S 38 Y 0.002629 0.000266 0.000357 0.000348 0.000101 442 S 38 Z 0.000210 -0.001776 0.000310 0.000605 0.000030 443 S 38 X 0.103641 -0.006026 0.009987 0.015039 -0.001206 444 S 38 Y -0.185568 -0.011961 -0.026775 0.002647 -0.012854 445 S 38 Z -0.039134 0.313644 -0.076002 -0.259515 0.113756 446 S 38 X 0.078558 -0.006085 0.011753 0.011305 -0.001569 447 S 38 Y -0.132645 -0.007806 -0.019075 0.004261 -0.012574 448 S 38 Z -0.036151 0.285547 -0.076739 -0.284729 0.138709 449 S 38 XX 0.009202 0.000629 0.000470 0.002988 0.001646 450 S 38 YY 0.009897 -0.000532 0.002070 -0.004258 -0.000165 451 S 38 ZZ -0.019098 -0.000097 -0.002539 0.001269 -0.001481 452 S 38 XY 0.008797 -0.001544 0.001529 0.001995 0.001292 453 S 38 XZ -0.001232 0.025308 -0.004055 0.023295 0.001473 454 S 38 YZ 0.000525 -0.007850 -0.000236 0.015342 0.007876 455 S 38 XX 0.001608 0.000095 0.000025 0.000514 0.000242 456 S 38 YY 0.002042 -0.000052 0.000443 -0.000620 -0.000006 457 S 38 ZZ -0.003650 -0.000043 -0.000468 0.000106 -0.000236 458 S 38 XY 0.001990 -0.000276 0.000405 0.000234 0.000225 459 S 38 XZ -0.000146 0.003631 -0.000514 0.004257 0.000032 460 S 38 YZ 0.000085 -0.000859 -0.000180 0.002197 0.001460 461 H 39 S -0.008809 -0.000274 -0.003636 -0.010822 -0.003592 462 H 39 S 0.002892 0.006723 -0.001687 -0.007424 0.000409 463 H 39 X -0.000575 0.000452 -0.000303 0.000362 0.000358 464 H 39 Y 0.000357 -0.000525 0.000533 -0.002484 0.000338 465 H 39 Z -0.000681 0.004218 0.000510 0.011981 -0.002044 101 102 103 1.2328 0.7690 0.1784 A A A 1 C 1 S 0.000013 -0.000709 0.000668 2 C 1 S 0.006461 -0.004264 -0.004252 3 C 1 S 0.026325 -0.001265 -0.004243 4 C 1 X -0.021242 0.033512 -0.023700 5 C 1 Y 0.019335 -0.012346 0.016728 6 C 1 Z -0.243833 0.344131 -0.406319 7 C 1 X -0.027292 0.030513 -0.020725 8 C 1 Y 0.016624 -0.005468 0.004751 9 C 1 Z -0.195692 0.368625 -0.434693 10 C 1 XX 0.003790 0.001457 0.000683 11 C 1 YY -0.000427 -0.001491 -0.002622 12 C 1 ZZ -0.003364 0.000035 0.001939 13 C 1 XY -0.000808 -0.000498 0.002302 14 C 1 XZ 0.018690 0.001100 -0.014238 15 C 1 YZ -0.001866 -0.000540 0.002119 16 C 2 S 0.001161 0.000025 -0.000582 17 C 2 S 0.004788 0.002656 0.008606 18 C 2 S -0.022265 -0.005635 0.034813 19 C 2 X -0.005027 -0.008043 0.025177 20 C 2 Y 0.017204 0.010983 -0.022464 21 C 2 Z -0.191395 -0.096968 0.482138 22 C 2 X -0.026040 -0.009772 0.020175 23 C 2 Y 0.006565 0.001823 -0.015707 24 C 2 Z -0.163894 -0.112142 0.531819 25 C 2 XX -0.001133 0.000532 -0.004111 26 C 2 YY -0.001486 0.003391 -0.000632 27 C 2 ZZ 0.002619 -0.003922 0.004743 28 C 2 XY -0.000188 0.001460 0.002067 29 C 2 XZ -0.020199 0.024483 -0.013852 30 C 2 YZ 0.009385 -0.024206 -0.001357 31 C 3 S -0.000227 -0.001272 -0.001717 32 C 3 S 0.004929 -0.001885 -0.004096 33 C 3 S 0.015593 0.013997 0.010824 34 C 3 X -0.015321 0.024089 0.025088 35 C 3 Y -0.010594 0.014649 0.021146 36 C 3 Z 0.164129 -0.273057 -0.226645 37 C 3 X 0.022420 0.019307 0.037998 38 C 3 Y -0.014004 0.010587 0.039765 39 C 3 Z 0.161517 -0.352810 -0.352983 40 C 3 XX 0.000873 -0.001490 -0.001662 41 C 3 YY 0.001735 0.001628 0.003327 42 C 3 ZZ -0.002608 -0.000138 -0.001665 43 C 3 XY 0.001276 0.000701 -0.001199 44 C 3 XZ -0.024427 -0.014086 0.009398 45 C 3 YZ 0.020176 0.015276 -0.032338 46 C 4 S 0.001960 0.000940 0.001711 47 C 4 S 0.023597 0.021998 0.017052 48 C 4 S 0.017750 0.070510 0.022993 49 C 4 X 0.002297 0.004479 0.027603 50 C 4 Y 0.038369 0.044562 0.026523 51 C 4 Z -0.056711 0.003579 -0.012253 52 C 4 X 0.022998 -0.000368 0.048070 53 C 4 Y 0.067527 0.042711 0.022442 54 C 4 Z -0.063185 -0.008385 -0.005436 55 C 4 XX 0.005205 -0.007250 -0.002501 56 C 4 YY 0.005105 -0.008404 -0.005088 57 C 4 ZZ -0.010310 0.015655 0.007589 58 C 4 XY 0.000031 0.001863 -0.001478 59 C 4 XZ -0.002971 0.009814 0.014815 60 C 4 YZ -0.010180 0.015267 0.009189 61 S 5 S 0.000092 -0.000410 0.000273 62 S 5 S 0.000524 -0.003391 0.001485 63 S 5 S -0.002852 -0.015281 -0.009080 64 S 5 S -0.007905 -0.013173 -0.031049 65 S 5 X -0.000126 0.000350 0.000065 66 S 5 Y -0.000076 0.000061 -0.000180 67 S 5 Z 0.000226 -0.000295 0.001241 68 S 5 X 0.015625 0.016098 0.030697 69 S 5 Y -0.013844 -0.011095 -0.031132 70 S 5 Z 0.136184 -0.085218 0.082217 71 S 5 X 0.022043 0.013516 0.051128 72 S 5 Y -0.020880 -0.010173 -0.046742 73 S 5 Z 0.190567 -0.155220 0.155465 74 S 5 XX 0.000898 -0.004608 0.001311 75 S 5 YY 0.003360 0.003006 -0.000562 76 S 5 ZZ -0.004258 0.001602 -0.000749 77 S 5 XY -0.000508 -0.002403 -0.000851 78 S 5 XZ 0.011196 -0.013389 0.019913 79 S 5 YZ 0.014566 -0.033544 0.030847 80 S 5 XX 0.000130 -0.000692 0.000446 81 S 5 YY 0.000677 0.000442 -0.000146 82 S 5 ZZ -0.000807 0.000250 -0.000300 83 S 5 XY -0.000056 -0.000258 -0.000229 84 S 5 XZ 0.002354 -0.002623 0.003666 85 S 5 YZ 0.002579 -0.005671 0.005931 86 H 6 S -0.006770 0.008033 -0.005355 87 H 6 S -0.012917 0.005985 0.002410 88 H 6 X -0.000037 -0.000186 0.000782 89 H 6 Y 0.000451 0.000187 -0.001058 90 H 6 Z -0.006350 -0.003492 0.015281 91 C 7 S 0.000824 0.000860 0.001117 92 C 7 S 0.006332 0.007531 0.001601 93 C 7 S 0.026847 0.017440 -0.024051 94 C 7 X -0.047496 -0.057917 -0.039156 95 C 7 Y 0.005316 0.002896 0.007174 96 C 7 Z -0.242691 -0.270141 -0.176286 97 C 7 X -0.072086 -0.118605 -0.100650 98 C 7 Y -0.001665 0.008412 0.025182 99 C 7 Z -0.231746 -0.361792 -0.252140 100 C 7 XX 0.003458 0.001889 -0.000276 101 C 7 YY 0.002557 -0.002645 -0.002498 102 C 7 ZZ -0.006016 0.000755 0.002774 103 C 7 XY -0.000212 0.000458 0.000045 104 C 7 XZ 0.015836 -0.007792 -0.011811 105 C 7 YZ 0.013660 -0.004633 -0.008212 106 C 8 S 0.000244 0.000196 0.000042 107 C 8 S 0.009095 0.006543 0.003891 108 C 8 S 0.016487 0.021822 0.010056 109 C 8 X -0.012341 -0.020947 -0.015660 110 C 8 Y -0.002276 -0.000455 0.000890 111 C 8 Z -0.032774 0.034694 0.027094 112 C 8 X -0.013758 -0.032301 -0.022324 113 C 8 Y -0.002611 -0.010255 -0.004510 114 C 8 Z -0.022412 0.043528 0.032113 115 C 8 XX 0.001496 0.000387 0.000239 116 C 8 YY -0.001722 0.000399 0.000207 117 C 8 ZZ 0.000227 -0.000786 -0.000446 118 C 8 XY -0.000129 -0.001149 -0.000643 119 C 8 XZ -0.009587 -0.005787 -0.003050 120 C 8 YZ 0.007483 0.005419 0.003435 121 C 9 S 0.001798 -0.001838 -0.003369 122 C 9 S 0.017632 -0.022125 -0.015861 123 C 9 S 0.007418 -0.025071 0.013279 124 C 9 X 0.002222 -0.013517 -0.009977 125 C 9 Y -0.028195 0.048688 0.029896 126 C 9 Z 0.057835 0.002657 -0.000275 127 C 9 X -0.004263 -0.005846 -0.057252 128 C 9 Y 0.001102 0.084113 0.040232 129 C 9 Z 0.043648 0.025649 0.018102 130 C 9 XX 0.006722 0.007852 0.004514 131 C 9 YY 0.006653 0.007362 0.006469 132 C 9 ZZ -0.013376 -0.015214 -0.010983 133 C 9 XY -0.001699 -0.000404 0.000427 134 C 9 XZ 0.006937 0.012393 0.008568 135 C 9 YZ -0.009983 -0.012062 -0.008417 136 C 10 S -0.000919 0.003476 0.003526 137 C 10 S -0.003553 0.005657 0.002650 138 C 10 S -0.000004 -0.086179 -0.073733 139 C 10 X -0.023975 0.018548 0.020110 140 C 10 Y -0.011749 0.007098 0.012208 141 C 10 Z -0.187804 0.121469 0.166588 142 C 10 X -0.056983 0.034521 0.046741 143 C 10 Y -0.037484 -0.021439 -0.012822 144 C 10 Z -0.167786 0.179338 0.234470 145 C 10 XX -0.006854 -0.008828 -0.005634 146 C 10 YY 0.002404 0.003961 0.003133 147 C 10 ZZ 0.004450 0.004868 0.002502 148 C 10 XY -0.000328 0.000476 -0.000888 149 C 10 XZ -0.013511 -0.022118 -0.017176 150 C 10 YZ -0.027383 -0.031455 -0.012470 151 C 11 S 0.000985 0.001165 0.000393 152 C 11 S -0.001476 -0.001596 0.004376 153 C 11 S -0.020249 -0.044980 -0.019639 154 C 11 X -0.011598 -0.012300 0.005237 155 C 11 Y 0.009516 0.004202 0.001430 156 C 11 Z 0.257737 0.196453 -0.006990 157 C 11 X 0.024819 0.006109 0.020567 158 C 11 Y -0.012174 0.015885 0.003360 159 C 11 Z 0.250884 0.260361 0.019759 160 C 11 XX -0.002484 0.002628 0.004448 161 C 11 YY 0.001363 -0.001458 -0.003028 162 C 11 ZZ 0.001121 -0.001170 -0.001419 163 C 11 XY -0.002920 0.001145 0.001979 164 C 11 XZ 0.010421 -0.026928 -0.027535 165 C 11 YZ -0.016512 0.024174 0.024562 166 C 12 S -0.001364 -0.008694 -0.006282 167 C 12 S -0.014766 -0.019909 -0.008100 168 C 12 S -0.030862 0.096338 0.095434 169 C 12 X -0.009046 -0.014054 -0.004383 170 C 12 Y 0.006976 -0.009154 -0.010037 171 C 12 Z -0.008782 0.033751 0.036069 172 C 12 X -0.011494 0.001743 0.006737 173 C 12 Y 0.011099 -0.042723 -0.040296 174 C 12 Z -0.001057 -0.001984 0.005638 175 C 12 XX -0.004824 0.001565 0.003492 176 C 12 YY -0.001259 0.009571 0.008209 177 C 12 ZZ 0.006083 -0.011136 -0.011701 178 C 12 XY -0.001838 -0.001126 0.000499 179 C 12 XZ -0.012450 0.011316 0.014200 180 C 12 YZ 0.001847 -0.009556 -0.008406 181 C 13 S 0.000488 0.010404 0.007963 182 C 13 S -0.000781 0.025827 0.019922 183 C 13 S -0.008755 -0.107412 -0.081123 184 C 13 X -0.001589 -0.003275 -0.002683 185 C 13 Y -0.025520 0.002621 0.013680 186 C 13 Z -0.001646 0.021169 0.018783 187 C 13 X -0.003258 -0.052255 -0.041314 188 C 13 Y -0.016064 -0.002959 0.002752 189 C 13 Z -0.000009 0.022241 0.012596 190 C 13 XX -0.001649 -0.010424 -0.007503 191 C 13 YY 0.000420 0.000804 0.000475 192 C 13 ZZ 0.001229 0.009620 0.007027 193 C 13 XY -0.000353 -0.002176 -0.002478 194 C 13 XZ 0.000913 0.007335 0.005335 195 C 13 YZ -0.000911 -0.000636 0.000199 196 C 14 S -0.001114 -0.004435 -0.003838 197 C 14 S -0.001976 0.000571 -0.000699 198 C 14 S 0.021835 0.096883 0.079341 199 C 14 X -0.014766 0.006022 0.010685 200 C 14 Y 0.003783 0.012315 0.008845 201 C 14 Z 0.022890 0.049068 0.022130 202 C 14 X 0.000184 0.001917 0.008976 203 C 14 Y 0.010062 0.044732 0.036256 204 C 14 Z 0.010090 0.013358 0.024197 205 C 14 XX 0.000733 -0.000815 -0.001628 206 C 14 YY 0.003363 0.007602 0.003888 207 C 14 ZZ -0.004096 -0.006787 -0.002260 208 C 14 XY -0.001133 -0.001594 -0.000631 209 C 14 XZ 0.016497 0.016163 0.001438 210 C 14 YZ 0.011832 0.019743 0.008385 211 F 15 S -0.000182 0.000238 0.000523 212 F 15 S 0.007062 -0.013288 -0.014210 213 F 15 S 0.017251 -0.035562 -0.041694 214 F 15 X 0.027312 -0.023933 -0.029477 215 F 15 Y -0.001804 0.027152 0.020295 216 F 15 Z -0.022500 0.028385 0.032748 217 F 15 X 0.025541 -0.022672 -0.028924 218 F 15 Y -0.003613 0.026309 0.021260 219 F 15 Z -0.017398 0.028003 0.031505 220 F 15 XX -0.000461 0.000168 0.000346 221 F 15 YY 0.000279 0.000248 0.000026 222 F 15 ZZ 0.000181 -0.000416 -0.000372 223 F 15 XY -0.000118 -0.000426 -0.000236 224 F 15 XZ -0.000194 0.000264 0.000183 225 F 15 YZ -0.000084 -0.000052 0.000041 226 F 16 S -0.000151 0.000103 -0.000005 227 F 16 S -0.003068 0.004998 0.005055 228 F 16 S -0.005580 0.007884 0.010495 229 F 16 X -0.013316 0.010268 0.011189 230 F 16 Y 0.005866 -0.022580 -0.020487 231 F 16 Z 0.008572 -0.003198 -0.007012 232 F 16 X -0.010580 0.010437 0.011064 233 F 16 Y 0.003660 -0.013804 -0.013412 234 F 16 Z 0.006758 -0.004150 -0.007243 235 F 16 XX 0.000101 0.000373 0.000312 236 F 16 YY -0.000143 -0.000581 -0.000481 237 F 16 ZZ 0.000042 0.000209 0.000169 238 F 16 XY -0.000049 0.000616 0.000545 239 F 16 XZ -0.000443 -0.000062 0.000179 240 F 16 YZ 0.000121 0.000102 0.000017 241 F 17 S 0.000159 -0.000087 -0.000370 242 F 17 S 0.008155 0.008289 0.004436 243 F 17 S 0.015938 0.018367 0.014593 244 F 17 X 0.027462 0.009239 0.003690 245 F 17 Y 0.029533 0.035958 0.008447 246 F 17 Z 0.000705 0.004265 0.001474 247 F 17 X 0.024345 0.011892 0.002683 248 F 17 Y 0.023274 0.026337 0.007059 249 F 17 Z -0.000997 0.001177 0.000522 250 F 17 XX -0.000189 0.000487 0.000140 251 F 17 YY 0.000032 -0.000655 -0.000294 252 F 17 ZZ 0.000156 0.000167 0.000154 253 F 17 XY -0.000433 -0.000436 0.000255 254 F 17 XZ 0.000334 0.000139 0.000101 255 F 17 YZ 0.000154 -0.000203 -0.000289 256 F 18 S 0.000179 0.000293 0.000778 257 F 18 S -0.011729 -0.015444 -0.004640 258 F 18 S -0.028096 -0.040625 -0.023336 259 F 18 X -0.034960 -0.028687 -0.005719 260 F 18 Y -0.026783 -0.044536 -0.016750 261 F 18 Z 0.021219 0.029164 0.008835 262 F 18 X -0.031601 -0.028690 -0.006360 263 F 18 Y -0.024656 -0.041904 -0.018555 264 F 18 Z 0.016459 0.025117 0.010468 265 F 18 XX 0.000387 0.000012 -0.000164 266 F 18 YY -0.000152 0.000283 0.000322 267 F 18 ZZ -0.000236 -0.000295 -0.000157 268 F 18 XY 0.000160 0.000655 0.000162 269 F 18 XZ 0.000593 -0.000031 -0.000191 270 F 18 YZ 0.000114 0.000012 0.000009 271 C 19 S -0.000319 -0.000720 -0.000653 272 C 19 S -0.003387 -0.002481 -0.001740 273 C 19 S -0.000338 0.009890 0.007710 274 C 19 X 0.005912 0.004459 0.002497 275 C 19 Y 0.005455 0.001823 0.001144 276 C 19 Z -0.003475 -0.009853 -0.006235 277 C 19 X 0.003612 -0.001210 -0.001079 278 C 19 Y 0.004620 0.001555 -0.000540 279 C 19 Z -0.016354 -0.021375 -0.012696 280 C 19 XX 0.000676 0.001532 0.001133 281 C 19 YY -0.000933 -0.000469 -0.000277 282 C 19 ZZ 0.000257 -0.001063 -0.000856 283 C 19 XY -0.000161 0.000734 0.000612 284 C 19 XZ 0.000179 -0.001078 -0.000809 285 C 19 YZ 0.001676 -0.002895 -0.002110 286 H 20 S 0.004067 0.006692 0.004208 287 H 20 S 0.004850 0.009902 0.007749 288 H 20 X -0.000043 -0.000055 -0.000065 289 H 20 Y 0.000196 0.000237 0.000153 290 H 20 Z -0.000073 -0.000311 -0.000249 291 H 21 S -0.003805 0.007473 0.005501 292 H 21 S -0.021318 -0.012608 -0.007185 293 H 21 X 0.000768 0.000947 0.000625 294 H 21 Y 0.000924 0.000861 0.000577 295 H 21 Z -0.000097 -0.000319 -0.000163 296 C 22 S -0.000178 0.000192 0.000596 297 C 22 S -0.002366 -0.000591 -0.001323 298 C 22 S -0.000657 -0.002457 -0.019008 299 C 22 X 0.003234 -0.003349 0.000681 300 C 22 Y -0.006852 0.001197 -0.003668 301 C 22 Z 0.024772 -0.021932 0.017157 302 C 22 X 0.006060 -0.004002 0.006381 303 C 22 Y -0.001693 0.005795 -0.005971 304 C 22 Z 0.016252 -0.018516 0.048940 305 C 22 XX 0.001005 -0.001813 0.001265 306 C 22 YY 0.000728 -0.000397 0.001525 307 C 22 ZZ -0.001732 0.002209 -0.002789 308 C 22 XY -0.000877 0.002625 -0.001268 309 C 22 XZ 0.010890 -0.015598 0.014464 310 C 22 YZ -0.010764 0.016986 -0.016430 311 H 23 S 0.001062 0.006035 0.001801 312 H 23 S 0.003383 0.010714 0.004954 313 H 23 X 0.000192 0.000099 0.000178 314 H 23 Y -0.000114 0.000091 -0.000113 315 H 23 Z 0.000448 -0.001005 0.000917 316 H 24 S 0.045054 -0.065789 0.053278 317 H 24 S 0.051581 -0.090327 0.068638 318 H 24 X -0.001207 0.000754 -0.000916 319 H 24 Y 0.001120 0.000125 0.000847 320 H 24 Z -0.000285 0.000543 -0.000484 321 H 25 S -0.043917 0.059191 -0.053900 322 H 25 S -0.051767 0.089321 -0.065446 323 H 25 X 0.001177 -0.000870 0.000814 324 H 25 Y -0.001398 0.000003 -0.000729 325 H 25 Z -0.000608 0.000530 -0.000586 326 C 26 S 0.000756 0.001358 -0.000128 327 C 26 S -0.019565 -0.039884 -0.026353 328 C 26 S -0.034113 -0.099668 -0.062044 329 C 26 X 0.004481 0.002711 0.021068 330 C 26 Y -0.035322 -0.004364 -0.004151 331 C 26 Z -0.071559 -0.053378 -0.037631 332 C 26 X 0.004937 -0.001761 0.034153 333 C 26 Y -0.027944 -0.019047 -0.013063 334 C 26 Z -0.067955 -0.032070 -0.029920 335 C 26 XX 0.004859 0.001691 0.001427 336 C 26 YY -0.001732 0.001827 0.001045 337 C 26 ZZ -0.003127 -0.003518 -0.002472 338 C 26 XY -0.001018 -0.002935 -0.000951 339 C 26 XZ -0.001158 -0.003102 -0.002793 340 C 26 YZ 0.000782 0.001804 0.001668 341 H 27 S 0.012563 -0.005878 -0.007545 342 H 27 S 0.003815 0.004443 0.011326 343 H 27 X 0.001185 0.000261 -0.000850 344 H 27 Y 0.001197 -0.001863 -0.002154 345 H 27 Z -0.002350 -0.001346 -0.000107 346 H 28 S -0.012852 -0.001923 -0.004973 347 H 28 S -0.012331 0.002800 0.001364 348 H 28 X -0.000193 -0.000664 0.000108 349 H 28 Y -0.000311 0.000815 0.000661 350 H 28 Z -0.002240 -0.001249 -0.000737 351 H 29 S 0.028534 0.020112 0.023394 352 H 29 S 0.014472 0.070763 0.027000 353 H 29 X -0.001434 -0.000007 -0.001029 354 H 29 Y 0.000422 -0.000721 0.000963 355 H 29 Z -0.002079 -0.001287 -0.001941 356 C 30 S 0.000073 -0.001266 0.000189 357 C 30 S -0.016890 0.040832 0.022006 358 C 30 S -0.025457 0.118577 0.057947 359 C 30 X -0.007643 -0.007884 -0.015386 360 C 30 Y 0.022849 -0.010688 -0.000227 361 C 30 Z 0.057740 -0.054256 -0.027432 362 C 30 X -0.005522 -0.006133 -0.011369 363 C 30 Y 0.000692 -0.019456 -0.004504 364 C 30 Z 0.048065 -0.039371 -0.026279 365 C 30 XX 0.003986 -0.001406 -0.000713 366 C 30 YY -0.002156 -0.002626 -0.001996 367 C 30 ZZ -0.001830 0.004032 0.002709 368 C 30 XY 0.001047 -0.001349 -0.004389 369 C 30 XZ -0.000752 -0.001099 -0.003403 370 C 30 YZ 0.001133 -0.002150 -0.002081 371 H 31 S -0.007110 0.004992 -0.000952 372 H 31 S -0.012403 -0.009751 0.003765 373 H 31 X -0.000223 0.000669 -0.000322 374 H 31 Y 0.001390 0.000740 0.000592 375 H 31 Z 0.001806 -0.001408 -0.000385 376 H 32 S 0.017038 0.001889 0.023623 377 H 32 S 0.019042 -0.013967 0.011703 378 H 32 X 0.001202 0.000129 0.001099 379 H 32 Y -0.001789 -0.002202 -0.001103 380 H 32 Z 0.001888 -0.001245 -0.000486 381 H 33 S 0.011031 -0.018404 -0.026749 382 H 33 S 0.012626 -0.057051 -0.047805 383 H 33 X -0.000200 0.000316 0.000578 384 H 33 Y -0.000058 -0.000077 -0.000673 385 H 33 Z 0.001882 -0.001738 -0.001205 386 H 34 S 0.002225 -0.014400 -0.010127 387 H 34 S 0.019561 0.002702 -0.000280 388 H 34 X -0.000427 -0.000687 -0.000451 389 H 34 Y -0.000492 -0.000600 -0.000317 390 H 34 Z -0.000096 0.000054 0.000004 391 F 35 S 0.000018 0.000219 0.000165 392 F 35 S -0.000342 -0.004632 -0.003599 393 F 35 S -0.000860 -0.012818 -0.009884 394 F 35 X -0.001854 -0.019377 -0.014096 395 F 35 Y 0.010424 -0.002894 -0.006949 396 F 35 Z 0.000783 -0.004821 -0.004375 397 F 35 X -0.001140 -0.012526 -0.009033 398 F 35 Y 0.009368 -0.002024 -0.005539 399 F 35 Z 0.000268 -0.007275 -0.005389 400 F 35 XX 0.000093 0.000564 0.000433 401 F 35 YY -0.000080 -0.000278 -0.000208 402 F 35 ZZ -0.000013 -0.000286 -0.000225 403 F 35 XY -0.000260 0.000150 0.000255 404 F 35 XZ -0.000084 -0.000074 0.000010 405 F 35 YZ 0.000016 -0.000022 -0.000039 406 F 36 S -0.000093 -0.001147 -0.000786 407 F 36 S 0.000896 0.009557 0.007233 408 F 36 S 0.003436 0.042078 0.030692 409 F 36 X 0.002825 0.031577 0.020898 410 F 36 Y -0.000852 -0.002576 -0.000930 411 F 36 Z 0.004146 0.022158 0.016121 412 F 36 X 0.002396 0.027588 0.019381 413 F 36 Y 0.000266 -0.002725 -0.001996 414 F 36 Z 0.003736 0.025560 0.018916 415 F 36 XX -0.000092 -0.000866 -0.000542 416 F 36 YY 0.000084 0.000107 -0.000016 417 F 36 ZZ 0.000008 0.000759 0.000558 418 F 36 XY 0.000349 -0.000025 -0.000242 419 F 36 XZ 0.000014 0.000070 0.000021 420 F 36 YZ -0.000322 -0.000001 0.000165 421 C 37 S 0.000615 0.000908 -0.000335 422 C 37 S 0.006388 0.016544 0.010943 423 C 37 S 0.004471 -0.001186 0.032598 424 C 37 X -0.007318 -0.017924 -0.011489 425 C 37 Y 0.005879 -0.013692 -0.011401 426 C 37 Z -0.068692 -0.031376 -0.017851 427 C 37 X 0.000652 0.003971 -0.006927 428 C 37 Y 0.007805 -0.005164 -0.013336 429 C 37 Z -0.080397 -0.045933 -0.032066 430 C 37 XX -0.000838 0.002115 0.001372 431 C 37 YY 0.003117 -0.002414 -0.001425 432 C 37 ZZ -0.002279 0.000299 0.000053 433 C 37 XY -0.000229 -0.001683 -0.000968 434 C 37 XZ 0.000423 0.001717 0.001567 435 C 37 YZ -0.004766 0.001618 0.001705 436 S 38 S 0.000394 0.000361 0.000179 437 S 38 S 0.002644 0.002089 0.000898 438 S 38 S 0.000412 -0.007489 -0.006101 439 S 38 S -0.014922 -0.035112 -0.026956 440 S 38 X 0.000215 0.000453 0.000407 441 S 38 Y -0.000026 0.000450 0.000460 442 S 38 Z 0.000315 -0.000015 -0.000236 443 S 38 X -0.000709 -0.002984 -0.001918 444 S 38 Y -0.013707 0.008266 0.004574 445 S 38 Z 0.171427 0.086976 0.041710 446 S 38 X -0.002798 -0.011145 -0.004847 447 S 38 Y -0.015608 0.006516 0.003738 448 S 38 Z 0.226033 0.161328 0.094820 449 S 38 XX 0.004895 0.005960 0.004330 450 S 38 YY -0.002659 -0.005385 -0.003802 451 S 38 ZZ -0.002236 -0.000575 -0.000527 452 S 38 XY 0.004084 0.005972 0.004084 453 S 38 XZ 0.006252 0.011750 0.007259 454 S 38 YZ 0.022966 0.040751 0.029227 455 S 38 XX 0.000869 0.001204 0.000869 456 S 38 YY -0.000491 -0.001045 -0.000753 457 S 38 ZZ -0.000378 -0.000159 -0.000116 458 S 38 XY 0.000798 0.001101 0.000880 459 S 38 XZ 0.000656 0.001712 0.001102 460 S 38 YZ 0.004178 0.007074 0.005053 461 H 39 S -0.004934 -0.001194 0.000466 462 H 39 S -0.006296 -0.004882 -0.002409 463 H 39 X -0.000002 -0.000263 -0.000218 464 H 39 Y 0.000245 -0.000896 -0.000191 465 H 39 Z -0.002204 -0.001763 -0.000593 ------------------------ MCSCF OPTIMIZED ORBITALS ------------------------ 1 2 3 4 5 -91.9952 -91.9718 -26.3371 -26.3370 -26.3353 A A A A A 1 C 1 S -0.000002 -0.000019 0.000003 0.000022 -0.000016 2 C 1 S -0.000004 -0.000039 0.000004 0.000036 -0.000025 3 C 1 S 0.000005 0.000212 -0.000571 -0.000070 0.000019 4 C 1 X -0.000001 -0.000011 0.000023 0.000001 -0.000004 5 C 1 Y -0.000002 -0.000016 -0.000017 0.000014 -0.000012 6 C 1 Z -0.000001 0.000002 -0.000002 -0.000000 0.000000 7 C 1 X 0.000003 0.000149 0.000220 0.000179 -0.000038 8 C 1 Y 0.000036 0.000393 0.000234 -0.000306 0.000313 9 C 1 Z 0.000003 0.000002 -0.000013 -0.000015 0.000010 10 C 1 XX 0.000000 -0.000004 -0.000016 -0.000018 0.000012 11 C 1 YY 0.000001 -0.000003 0.000014 -0.000001 0.000004 12 C 1 ZZ -0.000002 0.000008 0.000002 0.000019 -0.000016 13 C 1 XY 0.000000 -0.000033 -0.000002 0.000009 -0.000011 14 C 1 XZ -0.000000 0.000000 0.000003 0.000001 -0.000001 15 C 1 YZ 0.000000 0.000003 0.000002 -0.000003 -0.000001 16 C 2 S -0.000001 -0.000008 -0.000038 0.000001 0.000010 17 C 2 S -0.000002 -0.000015 -0.000066 0.000004 0.000014 18 C 2 S -0.000027 -0.000102 0.001114 -0.000100 -0.000039 19 C 2 X 0.000000 -0.000009 -0.000020 0.000007 -0.000000 20 C 2 Y -0.000002 -0.000002 0.000005 -0.000003 -0.000006 21 C 2 Z 0.000000 0.000003 -0.000003 0.000007 0.000005 22 C 2 X 0.000016 0.000046 0.000486 -0.000114 0.000280 23 C 2 Y -0.000021 -0.000226 0.000167 -0.000116 -0.000080 24 C 2 Z -0.000001 -0.000016 0.000006 -0.000022 -0.000023 25 C 2 XX -0.000000 -0.000003 0.000027 0.000020 -0.000014 26 C 2 YY 0.000000 0.000010 -0.000015 -0.000011 -0.000005 27 C 2 ZZ -0.000000 -0.000006 -0.000012 -0.000009 0.000018 28 C 2 XY 0.000001 -0.000019 -0.000002 -0.000016 0.000020 29 C 2 XZ 0.000000 -0.000002 -0.000003 -0.000004 0.000004 30 C 2 YZ 0.000000 0.000003 0.000003 0.000006 -0.000004 31 C 3 S -0.000003 -0.000007 -0.000071 0.000065 -0.000056 32 C 3 S -0.000005 -0.000013 -0.000114 0.000107 -0.000087 33 C 3 S 0.000139 0.000009 0.002518 -0.002131 0.002636 34 C 3 X 0.000002 -0.000004 -0.000046 0.000009 -0.000023 35 C 3 Y 0.000002 0.000003 -0.000015 -0.000005 0.000029 36 C 3 Z -0.000001 0.000004 -0.000016 0.000031 -0.000002 37 C 3 X -0.000076 -0.000005 -0.001454 0.001540 -0.001952 38 C 3 Y -0.000019 -0.000218 0.001482 -0.000853 0.000639 39 C 3 Z -0.000009 -0.000009 0.000019 -0.000034 0.000036 40 C 3 XX 0.000000 0.000002 0.000047 -0.000044 0.000043 41 C 3 YY 0.000001 0.000002 -0.000001 0.000014 -0.000006 42 C 3 ZZ -0.000001 -0.000004 -0.000046 0.000030 -0.000037 43 C 3 XY -0.000002 -0.000006 -0.000046 0.000035 -0.000052 44 C 3 XZ -0.000001 -0.000002 0.000010 -0.000026 0.000004 45 C 3 YZ -0.000001 0.000004 -0.000000 0.000010 0.000009 46 C 4 S -0.000009 -0.000011 -0.000006 0.000016 0.000032 47 C 4 S -0.000015 -0.000020 -0.000012 0.000029 0.000056 48 C 4 S 0.000072 0.000271 -0.000011 -0.000282 -0.000046 49 C 4 X 0.000000 -0.000003 0.000023 -0.000001 -0.000023 50 C 4 Y -0.000005 -0.000004 0.000012 -0.000010 0.000026 51 C 4 Z -0.000002 -0.000002 0.000000 -0.000014 0.000024 52 C 4 X -0.000016 0.000034 0.000202 -0.000137 0.000258 53 C 4 Y 0.000034 -0.000106 -0.000021 0.000197 -0.000768 54 C 4 Z 0.000025 -0.000207 -0.000004 0.000229 -0.000332 55 C 4 XX -0.000002 -0.000001 -0.000030 0.000016 -0.000012 56 C 4 YY 0.000004 0.000003 0.000030 -0.000022 0.000001 57 C 4 ZZ -0.000003 -0.000003 0.000000 0.000006 0.000012 58 C 4 XY 0.000001 0.000004 -0.000013 0.000008 -0.000001 59 C 4 XZ -0.000002 0.000003 -0.000005 0.000003 -0.000000 60 C 4 YZ -0.000002 -0.000005 -0.000004 0.000004 0.000011 61 S 5 S -0.000000 1.000048 0.000001 -0.000001 0.000005 62 S 5 S 0.000000 0.000248 0.000004 -0.000004 0.000038 63 S 5 S 0.000000 0.000287 0.000005 -0.000002 0.000042 64 S 5 S -0.000005 -0.001172 -0.000118 0.000174 -0.000408 65 S 5 X -0.000000 -0.000060 0.000002 -0.000007 0.000011 66 S 5 Y -0.000000 -0.000007 0.000001 -0.000000 -0.000001 67 S 5 Z -0.000000 0.000010 -0.000001 0.000001 -0.000001 68 S 5 X -0.000001 -0.000016 0.000004 -0.000022 0.000035 69 S 5 Y -0.000001 0.000017 0.000003 0.000000 -0.000003 70 S 5 Z -0.000001 0.000005 -0.000002 0.000003 -0.000005 71 S 5 X 0.000003 0.000355 -0.000002 -0.000068 0.000154 72 S 5 Y 0.000020 0.000077 -0.000007 0.000027 -0.000026 73 S 5 Z -0.000001 -0.000042 -0.000011 0.000016 -0.000049 74 S 5 XX 0.000001 -0.000030 0.000022 0.000001 -0.000007 75 S 5 YY -0.000000 -0.000013 -0.000019 0.000002 -0.000001 76 S 5 ZZ -0.000001 0.000043 -0.000002 -0.000002 0.000008 77 S 5 XY -0.000003 -0.000003 0.000005 -0.000002 0.000008 78 S 5 XZ 0.000001 0.000012 0.000002 -0.000003 0.000015 79 S 5 YZ -0.000001 -0.000003 -0.000005 0.000005 -0.000004 80 S 5 XX -0.000000 0.000006 -0.000003 0.000000 0.000000 81 S 5 YY -0.000000 0.000004 0.000003 -0.000000 0.000000 82 S 5 ZZ 0.000000 -0.000010 0.000000 -0.000000 -0.000001 83 S 5 XY 0.000000 -0.000000 -0.000001 0.000000 -0.000001 84 S 5 XZ -0.000000 -0.000003 -0.000000 0.000000 -0.000002 85 S 5 YZ 0.000000 0.000001 0.000001 -0.000001 0.000000 86 H 6 S -0.000000 -0.000007 0.000022 -0.000008 0.000017 87 H 6 S 0.000001 -0.000042 0.000039 -0.000096 0.000078 88 H 6 X -0.000001 -0.000003 -0.000014 0.000000 -0.000008 89 H 6 Y 0.000000 0.000011 -0.000005 -0.000003 0.000008 90 H 6 Z 0.000000 0.000001 -0.000000 0.000002 0.000002 91 C 7 S 0.000003 -0.000017 -0.000046 -0.000000 -0.000012 92 C 7 S -0.000003 -0.000028 -0.000074 -0.000001 -0.000015 93 C 7 S -0.000225 0.000284 0.001676 -0.000119 0.000481 94 C 7 X 0.000003 0.000000 -0.000044 0.000014 -0.000014 95 C 7 Y -0.000019 0.000002 0.000010 -0.000006 0.000010 96 C 7 Z -0.000002 -0.000001 -0.000001 0.000029 0.000013 97 C 7 X 0.000135 0.000083 -0.000221 0.000333 -0.001083 98 C 7 Y 0.000594 -0.000189 -0.000969 -0.000018 0.000307 99 C 7 Z 0.000015 -0.000026 0.000098 -0.000154 -0.000163 100 C 7 XX 0.000015 0.000008 0.000018 -0.000014 0.000024 101 C 7 YY -0.000039 0.000002 0.000010 0.000008 -0.000022 102 C 7 ZZ 0.000023 -0.000010 -0.000028 0.000006 -0.000002 103 C 7 XY -0.000008 -0.000007 0.000007 -0.000002 0.000012 104 C 7 XZ 0.000002 -0.000006 -0.000020 -0.000013 -0.000012 105 C 7 YZ -0.000000 0.000001 -0.000010 -0.000011 0.000022 106 C 8 S -0.000015 -0.000000 0.000016 0.000001 -0.000006 107 C 8 S -0.000031 -0.000001 0.000029 0.000001 -0.000009 108 C 8 S 0.000232 0.000025 -0.000266 -0.000129 0.000175 109 C 8 X 0.000014 0.000002 -0.000008 0.000003 0.000005 110 C 8 Y -0.000006 -0.000002 0.000006 0.000005 0.000009 111 C 8 Z -0.000002 0.000001 0.000002 -0.000001 -0.000002 112 C 8 X -0.000337 -0.000010 0.000139 -0.000051 0.000073 113 C 8 Y -0.000001 -0.000042 0.000033 0.000039 -0.000367 114 C 8 Z -0.000003 -0.000010 0.000008 0.000015 -0.000022 115 C 8 XX -0.000026 -0.000001 -0.000008 -0.000000 -0.000009 116 C 8 YY 0.000016 0.000003 0.000001 -0.000001 0.000016 117 C 8 ZZ 0.000010 -0.000002 0.000007 0.000001 -0.000008 118 C 8 XY 0.000009 -0.000003 0.000006 -0.000000 -0.000011 119 C 8 XZ 0.000000 0.000000 -0.000001 0.000001 -0.000002 120 C 8 YZ 0.000002 0.000000 0.000000 -0.000001 0.000003 121 C 9 S -0.000021 0.000008 0.000033 0.000010 -0.000002 122 C 9 S -0.000038 0.000011 0.000054 0.000019 -0.000002 123 C 9 S 0.000248 -0.000225 -0.000623 -0.000149 0.000702 124 C 9 X 0.000001 -0.000007 0.000020 -0.000006 -0.000015 125 C 9 Y -0.000005 0.000008 -0.000009 0.000004 -0.000019 126 C 9 Z 0.000004 0.000001 0.000001 -0.000005 -0.000013 127 C 9 X -0.000088 0.000213 0.000233 0.000171 0.000014 128 C 9 Y 0.000042 0.000060 -0.000028 -0.000250 0.000317 129 C 9 Z 0.000015 -0.000002 -0.000191 -0.000039 0.000695 130 C 9 XX 0.000018 -0.000003 -0.000013 -0.000012 -0.000023 131 C 9 YY -0.000009 -0.000001 0.000001 0.000013 0.000007 132 C 9 ZZ -0.000009 0.000004 0.000012 -0.000001 0.000015 133 C 9 XY 0.000010 0.000011 0.000007 0.000005 0.000003 134 C 9 XZ -0.000006 0.000002 0.000012 0.000002 -0.000008 135 C 9 YZ -0.000001 -0.000006 -0.000000 -0.000003 -0.000007 136 C 10 S -0.000006 0.000004 -0.000079 0.000096 0.000111 137 C 10 S -0.000011 0.000006 -0.000145 0.000171 0.000165 138 C 10 S 0.000248 -0.000225 -0.000510 0.000108 -0.002597 139 C 10 X -0.000003 -0.000003 0.000047 -0.000033 0.000029 140 C 10 Y 0.000000 -0.000001 0.000046 -0.000045 0.000027 141 C 10 Z -0.000000 0.000000 0.000026 -0.000010 -0.000017 142 C 10 X 0.000462 -0.000096 -0.001434 -0.000004 0.001736 143 C 10 Y 0.000053 0.000073 -0.000681 0.000665 -0.001962 144 C 10 Z -0.000081 0.000011 0.000160 -0.000027 0.000683 145 C 10 XX 0.000029 -0.000002 0.000019 -0.000038 -0.000122 146 C 10 YY -0.000023 -0.000000 -0.000009 0.000017 -0.000000 147 C 10 ZZ -0.000006 0.000002 -0.000010 0.000020 0.000122 148 C 10 XY -0.000004 0.000001 -0.000068 -0.000004 0.000082 149 C 10 XZ -0.000010 0.000001 -0.000006 -0.000044 -0.000081 150 C 10 YZ -0.000000 0.000001 0.000023 -0.000057 0.000010 151 C 11 S -0.000002 -0.000010 -0.000024 0.000009 0.000077 152 C 11 S -0.000003 -0.000018 -0.000053 0.000026 0.000121 153 C 11 S -0.000077 0.000162 -0.001934 0.002119 -0.003747 154 C 11 X -0.000001 -0.000005 0.000051 -0.000055 0.000053 155 C 11 Y -0.000001 0.000001 -0.000037 0.000041 -0.000020 156 C 11 Z 0.000001 -0.000002 0.000012 -0.000012 0.000013 157 C 11 X -0.000130 0.000140 -0.002476 0.001962 -0.001896 158 C 11 Y 0.000084 0.000127 0.000796 -0.000691 0.000997 159 C 11 Z 0.000006 0.000015 -0.000115 0.000048 -0.000420 160 C 11 XX -0.000002 0.000002 -0.000030 0.000004 -0.000087 161 C 11 YY 0.000006 0.000002 0.000018 0.000012 0.000035 162 C 11 ZZ -0.000004 -0.000004 0.000012 -0.000015 0.000052 163 C 11 XY -0.000010 0.000000 0.000093 -0.000046 0.000026 164 C 11 XZ -0.000002 0.000000 -0.000024 -0.000028 0.000003 165 C 11 YZ 0.000003 0.000001 -0.000017 0.000046 -0.000012 166 C 12 S -0.000011 -0.000003 0.000198 0.000014 -0.000263 167 C 12 S -0.000021 -0.000005 0.000322 -0.000005 -0.000386 168 C 12 S 0.000274 -0.000013 -0.002570 -0.001006 0.006062 169 C 12 X -0.000003 -0.000001 -0.000008 0.000089 -0.000078 170 C 12 Y 0.000000 -0.000001 0.000035 0.000118 0.000303 171 C 12 Z -0.000000 0.000001 0.000036 0.000047 -0.000120 172 C 12 X 0.000085 0.000013 0.000659 0.000015 0.000288 173 C 12 Y -0.000035 0.000008 0.001163 -0.000123 0.001855 174 C 12 Z -0.000001 -0.000007 -0.000403 0.000949 -0.002217 175 C 12 XX -0.000007 0.000002 -0.000061 0.000031 -0.000023 176 C 12 YY 0.000001 0.000000 -0.000043 0.000007 0.000084 177 C 12 ZZ 0.000006 -0.000002 0.000105 -0.000039 -0.000061 178 C 12 XY -0.000004 -0.000003 -0.000099 -0.000041 -0.000075 179 C 12 XZ -0.000001 0.000001 -0.000024 -0.000065 0.000007 180 C 12 YZ -0.000003 -0.000001 0.000028 -0.000097 -0.000119 181 C 13 S 0.000002 -0.000003 -0.000164 -0.000317 0.000165 182 C 13 S 0.000003 -0.000006 -0.000221 -0.000497 0.000264 183 C 13 S -0.000030 0.000036 0.004910 0.004580 -0.001874 184 C 13 X 0.000001 0.000000 -0.000320 -0.000154 -0.000027 185 C 13 Y -0.000001 0.000000 -0.000028 0.000019 -0.000051 186 C 13 Z -0.000000 -0.000001 0.000095 -0.000377 -0.000037 187 C 13 X -0.000016 0.000001 -0.001991 0.001026 -0.000608 188 C 13 Y 0.000002 -0.000004 -0.000427 0.000267 -0.001039 189 C 13 Z -0.000008 0.000016 0.002199 -0.002526 0.000281 190 C 13 XX 0.000004 0.000001 0.000110 -0.000060 0.000004 191 C 13 YY -0.000001 -0.000001 -0.000025 -0.000128 -0.000115 192 C 13 ZZ -0.000003 -0.000001 -0.000086 0.000189 0.000112 193 C 13 XY 0.000003 -0.000000 0.000014 -0.000006 -0.000050 194 C 13 XZ -0.000001 0.000000 -0.000068 0.000034 0.000029 195 C 13 YZ 0.000001 -0.000001 0.000003 -0.000037 0.000005 196 C 14 S -0.000004 -0.000004 0.000187 0.000011 -0.000135 197 C 14 S -0.000007 -0.000007 0.000303 -0.000010 -0.000237 198 C 14 S 0.000014 0.000087 -0.002749 -0.000414 0.000646 199 C 14 X -0.000001 -0.000000 -0.000004 0.000102 -0.000033 200 C 14 Y 0.000000 0.000000 -0.000045 -0.000099 -0.000030 201 C 14 Z -0.000000 0.000001 0.000019 0.000029 -0.000023 202 C 14 X 0.000003 0.000052 0.000938 0.000274 0.000458 203 C 14 Y 0.000002 -0.000016 -0.001022 -0.000063 0.000434 204 C 14 Z 0.000002 -0.000014 -0.000411 0.000886 0.000308 205 C 14 XX 0.000004 -0.000000 -0.000073 0.000014 0.000024 206 C 14 YY -0.000001 -0.000000 -0.000014 -0.000017 -0.000017 207 C 14 ZZ -0.000002 0.000001 0.000087 0.000003 -0.000008 208 C 14 XY -0.000001 0.000002 0.000106 0.000064 -0.000009 209 C 14 XZ -0.000000 0.000000 -0.000001 -0.000075 0.000013 210 C 14 YZ -0.000001 0.000002 -0.000058 0.000105 -0.000049 211 F 15 S 0.000002 -0.000000 -0.000234 0.000021 -0.001141 212 F 15 S 0.000004 -0.000000 -0.000062 -0.000003 0.000011 213 F 15 S -0.000019 0.000002 0.000411 -0.000099 -0.000102 214 F 15 X -0.000000 0.000001 -0.000013 0.000028 -0.000012 215 F 15 Y 0.000001 0.000000 -0.000023 0.000027 0.000049 216 F 15 Z 0.000000 -0.000000 -0.000001 0.000017 0.000000 217 F 15 X -0.000002 -0.000003 0.000059 -0.000113 0.000060 218 F 15 Y -0.000002 -0.000001 0.000041 -0.000083 -0.000398 219 F 15 Z 0.000009 -0.000001 -0.000063 -0.000080 0.000268 220 F 15 XX 0.000001 -0.000000 0.000004 -0.000005 0.000019 221 F 15 YY -0.000000 -0.000000 0.000003 -0.000001 0.000013 222 F 15 ZZ -0.000001 0.000000 -0.000007 0.000006 -0.000032 223 F 15 XY -0.000001 -0.000000 -0.000021 0.000006 -0.000011 224 F 15 XZ 0.000000 0.000000 0.000004 -0.000003 -0.000007 225 F 15 YZ -0.000000 0.000000 -0.000007 -0.000004 0.000041 226 F 16 S 0.000004 0.000001 0.000276 -0.001055 1.001179 227 F 16 S 0.000007 0.000002 0.000009 -0.000043 0.001541 228 F 16 S -0.000024 -0.000009 -0.000005 0.000286 -0.006172 229 F 16 X 0.000000 0.000000 -0.000001 -0.000025 0.000282 230 F 16 Y 0.000000 0.000000 0.000002 -0.000016 -0.000906 231 F 16 Z 0.000000 -0.000000 0.000001 -0.000005 0.000479 232 F 16 X -0.000009 -0.000004 -0.000052 0.000104 -0.000486 233 F 16 Y 0.000008 0.000002 -0.000099 0.000032 0.001504 234 F 16 Z -0.000005 -0.000000 0.000028 0.000029 -0.000745 235 F 16 XX 0.000001 0.000000 -0.000010 0.000014 0.000091 236 F 16 YY -0.000001 -0.000000 0.000004 -0.000017 -0.000127 237 F 16 ZZ 0.000000 0.000000 0.000007 0.000003 0.000036 238 F 16 XY 0.000000 0.000000 -0.000003 -0.000008 0.000081 239 F 16 XZ -0.000001 -0.000000 -0.000003 -0.000009 -0.000041 240 F 16 YZ 0.000000 0.000000 -0.000004 -0.000004 0.000128 241 F 17 S -0.000000 0.000002 0.000054 -0.000355 -0.000294 242 F 17 S -0.000000 0.000004 -0.000008 -0.000023 -0.000050 243 F 17 S -0.000000 -0.000019 0.000054 0.000201 0.000175 244 F 17 X -0.000000 -0.000000 0.000004 -0.000024 0.000004 245 F 17 Y 0.000000 0.000000 -0.000005 0.000011 0.000007 246 F 17 Z 0.000000 0.000000 0.000003 -0.000002 0.000000 247 F 17 X 0.000001 -0.000001 -0.000088 0.000091 -0.000027 248 F 17 Y -0.000000 -0.000005 0.000109 -0.000041 -0.000009 249 F 17 Z -0.000000 -0.000004 0.000035 0.000011 0.000028 250 F 17 XX 0.000000 0.000001 -0.000011 0.000013 -0.000002 251 F 17 YY 0.000000 -0.000000 0.000004 -0.000015 -0.000000 252 F 17 ZZ -0.000000 -0.000000 0.000006 0.000003 0.000003 253 F 17 XY -0.000000 0.000000 -0.000001 0.000015 -0.000000 254 F 17 XZ -0.000000 -0.000000 -0.000004 -0.000009 -0.000001 255 F 17 YZ 0.000000 -0.000000 0.000004 -0.000003 0.000004 256 F 18 S 0.000001 -0.000000 -0.000176 0.000007 0.000064 257 F 18 S 0.000002 -0.000001 -0.000047 -0.000007 0.000047 258 F 18 S -0.000007 0.000001 0.000339 -0.000085 -0.000207 259 F 18 X 0.000000 0.000000 -0.000016 0.000037 0.000001 260 F 18 Y 0.000000 -0.000000 0.000017 -0.000025 0.000000 261 F 18 Z -0.000000 -0.000000 0.000005 0.000013 0.000001 262 F 18 X -0.000002 -0.000002 0.000057 -0.000150 -0.000050 263 F 18 Y -0.000002 0.000003 -0.000013 0.000086 -0.000071 264 F 18 Z 0.000001 0.000002 -0.000060 -0.000062 0.000042 265 F 18 XX -0.000000 0.000000 -0.000001 -0.000003 -0.000005 266 F 18 YY -0.000000 -0.000000 0.000003 -0.000002 0.000002 267 F 18 ZZ 0.000000 -0.000000 -0.000001 0.000005 0.000003 268 F 18 XY -0.000000 0.000000 0.000020 -0.000006 -0.000003 269 F 18 XZ -0.000000 0.000000 0.000008 -0.000003 0.000004 270 F 18 YZ -0.000000 -0.000000 0.000011 0.000001 0.000006 271 C 19 S -0.000007 -0.000001 -0.000000 -0.000001 0.000003 272 C 19 S -0.000015 -0.000001 -0.000000 -0.000002 0.000006 273 C 19 S 0.000065 0.000022 -0.000002 0.000029 0.000139 274 C 19 X 0.000008 0.000000 -0.000002 -0.000001 -0.000007 275 C 19 Y 0.000004 -0.000001 -0.000002 -0.000002 -0.000005 276 C 19 Z 0.000001 -0.000000 -0.000000 -0.000000 -0.000001 277 C 19 X 0.000019 -0.000016 -0.000011 0.000006 -0.000019 278 C 19 Y -0.000064 -0.000002 0.000011 -0.000016 -0.000016 279 C 19 Z -0.000014 0.000002 -0.000002 -0.000006 -0.000008 280 C 19 XX -0.000011 0.000000 0.000005 -0.000002 0.000006 281 C 19 YY 0.000013 -0.000000 -0.000004 0.000002 -0.000005 282 C 19 ZZ -0.000002 0.000000 -0.000001 0.000000 -0.000001 283 C 19 XY -0.000012 0.000001 0.000003 0.000000 0.000001 284 C 19 XZ -0.000001 -0.000000 0.000001 0.000000 0.000002 285 C 19 YZ 0.000002 -0.000000 0.000000 0.000001 -0.000000 286 H 20 S -0.000000 0.000002 -0.000003 -0.000001 -0.000013 287 H 20 S -0.000006 0.000005 -0.000001 -0.000009 -0.000013 288 H 20 X -0.000004 0.000000 0.000003 -0.000000 0.000006 289 H 20 Y 0.000001 0.000001 0.000001 -0.000000 0.000001 290 H 20 Z 0.000001 -0.000000 0.000000 0.000001 0.000001 291 H 21 S -0.000006 -0.000001 0.000001 -0.000002 0.000003 292 H 21 S 0.000013 -0.000000 -0.000009 0.000001 -0.000012 293 H 21 X 0.000003 0.000001 -0.000000 -0.000001 -0.000005 294 H 21 Y 0.000003 -0.000001 -0.000001 0.000001 -0.000004 295 H 21 Z 0.000001 -0.000001 -0.000000 0.000000 -0.000002 296 C 22 S -0.000001 -0.000011 -0.000007 0.000010 -0.000003 297 C 22 S -0.000002 -0.000021 -0.000011 0.000017 -0.000004 298 C 22 S 0.000021 0.000146 0.000212 -0.000243 0.000189 299 C 22 X -0.000000 -0.000001 -0.000002 0.000002 -0.000003 300 C 22 Y 0.000000 -0.000008 0.000011 -0.000004 0.000004 301 C 22 Z 0.000000 -0.000001 0.000001 -0.000000 -0.000000 302 C 22 X -0.000004 -0.000080 -0.000101 0.000036 -0.000036 303 C 22 Y 0.000008 0.000044 0.000043 -0.000082 0.000033 304 C 22 Z -0.000001 0.000012 0.000005 -0.000006 0.000008 305 C 22 XX 0.000000 0.000016 0.000002 -0.000000 0.000002 306 C 22 YY -0.000001 -0.000015 -0.000005 0.000001 -0.000007 307 C 22 ZZ 0.000000 -0.000001 0.000004 -0.000001 0.000005 308 C 22 XY -0.000001 -0.000007 -0.000010 0.000001 -0.000001 309 C 22 XZ -0.000000 -0.000002 -0.000001 0.000001 0.000001 310 C 22 YZ -0.000000 0.000000 0.000001 -0.000001 -0.000001 311 H 23 S 0.000000 -0.000002 -0.000012 0.000006 -0.000003 312 H 23 S -0.000000 -0.000009 -0.000022 0.000004 -0.000027 313 H 23 X 0.000000 0.000003 -0.000001 0.000001 -0.000001 314 H 23 Y 0.000000 0.000003 0.000005 0.000001 -0.000001 315 H 23 Z 0.000000 -0.000001 0.000000 0.000000 -0.000001 316 H 24 S -0.000001 -0.000010 -0.000008 0.000009 -0.000009 317 H 24 S 0.000001 0.000018 0.000010 -0.000002 -0.000000 318 H 24 X -0.000000 0.000001 0.000005 0.000001 0.000001 319 H 24 Y -0.000000 -0.000004 0.000000 -0.000002 0.000003 320 H 24 Z 0.000000 -0.000001 -0.000000 -0.000002 0.000003 321 H 25 S -0.000002 -0.000009 -0.000009 0.000010 -0.000005 322 H 25 S 0.000000 0.000020 0.000004 0.000003 -0.000004 323 H 25 X 0.000000 0.000001 0.000007 -0.000000 0.000001 324 H 25 Y -0.000000 -0.000004 -0.000001 -0.000001 0.000001 325 H 25 Z -0.000000 -0.000001 -0.000001 0.000003 -0.000003 326 C 26 S -0.000003 -0.000002 0.000011 0.000003 -0.000012 327 C 26 S -0.000006 -0.000005 0.000019 0.000007 -0.000021 328 C 26 S -0.000043 0.000004 -0.000097 0.000018 0.000360 329 C 26 X 0.000001 -0.000005 0.000000 -0.000004 -0.000001 330 C 26 Y -0.000004 0.000006 0.000001 0.000003 0.000004 331 C 26 Z -0.000005 -0.000002 0.000002 0.000006 0.000012 332 C 26 X -0.000001 -0.000021 -0.000001 -0.000005 0.000009 333 C 26 Y -0.000022 -0.000063 -0.000003 -0.000015 0.000032 334 C 26 Z 0.000038 0.000058 -0.000004 -0.000060 0.000171 335 C 26 XX 0.000003 0.000003 -0.000008 0.000002 -0.000009 336 C 26 YY -0.000008 -0.000007 0.000003 0.000005 0.000001 337 C 26 ZZ 0.000005 0.000004 0.000006 -0.000007 0.000009 338 C 26 XY 0.000004 0.000005 0.000001 0.000003 -0.000002 339 C 26 XZ 0.000001 -0.000009 0.000004 -0.000004 -0.000005 340 C 26 YZ 0.000003 0.000008 -0.000003 0.000004 -0.000007 341 H 27 S 0.000001 -0.000010 0.000002 0.000005 -0.000020 342 H 27 S -0.000003 -0.000023 0.000042 -0.000072 0.000055 343 H 27 X 0.000000 -0.000005 -0.000001 -0.000007 0.000008 344 H 27 Y 0.000000 0.000006 0.000006 -0.000004 0.000007 345 H 27 Z -0.000003 -0.000005 0.000006 -0.000004 -0.000000 346 H 28 S -0.000003 0.000024 0.000005 0.000005 -0.000014 347 H 28 S 0.000067 0.000040 0.000014 -0.000016 -0.000009 348 H 28 X 0.000003 0.000002 -0.000001 -0.000001 0.000001 349 H 28 Y -0.000010 -0.000008 0.000001 0.000003 0.000005 350 H 28 Z 0.000003 0.000003 0.000003 0.000004 -0.000003 351 H 29 S 0.000006 -0.000021 0.000008 -0.000011 -0.000010 352 H 29 S 0.000010 0.000054 -0.000006 -0.000021 0.000009 353 H 29 X -0.000002 -0.000003 -0.000005 0.000004 -0.000000 354 H 29 Y 0.000002 0.000000 0.000001 -0.000001 0.000000 355 H 29 Z -0.000000 0.000001 -0.000005 -0.000002 0.000001 356 C 30 S 0.000002 -0.000028 0.000011 -0.000005 0.000008 357 C 30 S 0.000003 -0.000051 0.000019 -0.000009 0.000017 358 C 30 S -0.000048 0.000176 -0.000067 -0.000087 0.000225 359 C 30 X 0.000000 -0.000012 -0.000002 0.000003 -0.000004 360 C 30 Y -0.000000 0.000009 -0.000002 0.000004 -0.000006 361 C 30 Z 0.000002 0.000007 -0.000001 0.000010 -0.000023 362 C 30 X 0.000015 0.000083 0.000032 -0.000036 0.000026 363 C 30 Y -0.000001 -0.000073 0.000009 -0.000014 0.000045 364 C 30 Z 0.000011 -0.000118 0.000013 0.000041 -0.000129 365 C 30 XX 0.000000 -0.000002 -0.000018 0.000013 -0.000012 366 C 30 YY 0.000000 -0.000003 0.000009 -0.000005 0.000002 367 C 30 ZZ -0.000001 0.000005 0.000009 -0.000008 0.000010 368 C 30 XY 0.000001 -0.000005 -0.000006 -0.000001 0.000012 369 C 30 XZ 0.000000 0.000001 -0.000005 -0.000005 0.000022 370 C 30 YZ 0.000002 0.000003 -0.000010 0.000008 -0.000027 371 H 31 S 0.000005 -0.000029 0.000003 -0.000001 -0.000013 372 H 31 S 0.000001 0.000007 0.000015 -0.000012 0.000026 373 H 31 X -0.000001 -0.000008 -0.000005 0.000007 -0.000009 374 H 31 Y 0.000001 0.000004 -0.000009 0.000008 -0.000010 375 H 31 Z -0.000001 0.000004 -0.000006 0.000005 0.000005 376 H 32 S 0.000002 0.000009 0.000016 -0.000011 -0.000001 377 H 32 S 0.000021 0.000063 0.000029 -0.000026 0.000038 378 H 32 X 0.000003 0.000003 -0.000003 -0.000005 0.000034 379 H 32 Y -0.000002 -0.000002 -0.000008 0.000008 -0.000016 380 H 32 Z -0.000001 0.000002 -0.000007 0.000005 0.000006 381 H 33 S 0.000001 -0.000024 0.000011 0.000004 -0.000018 382 H 33 S -0.000005 -0.000003 -0.000026 0.000030 -0.000014 383 H 33 X 0.000000 -0.000010 -0.000006 0.000000 0.000002 384 H 33 Y 0.000001 0.000010 -0.000002 -0.000001 0.000001 385 H 33 Z 0.000000 0.000007 0.000002 -0.000000 -0.000001 386 H 34 S -0.000006 -0.000002 0.000000 -0.000001 0.000006 387 H 34 S 0.000023 -0.000002 0.000000 0.000003 -0.000012 388 H 34 X 0.000003 0.000000 -0.000000 -0.000000 -0.000004 389 H 34 Y 0.000003 -0.000001 -0.000002 0.000001 -0.000004 390 H 34 Z -0.000000 0.000001 -0.000001 0.000000 0.000002 391 F 35 S 0.000000 0.000001 0.998788 0.069066 -0.000201 392 F 35 S 0.000000 0.000001 0.001528 0.000081 0.000002 393 F 35 S -0.000001 -0.000007 -0.006082 -0.000353 0.000034 394 F 35 X -0.000000 -0.000000 0.001026 0.000056 0.000000 395 F 35 Y -0.000000 0.000000 0.000098 0.000011 -0.000006 396 F 35 Z -0.000000 0.000000 -0.000345 -0.000070 -0.000001 397 F 35 X -0.000000 -0.000002 -0.001621 -0.000151 0.000068 398 F 35 Y 0.000000 -0.000001 -0.000138 -0.000060 0.000099 399 F 35 Z 0.000002 0.000000 0.000437 0.000493 -0.000018 400 F 35 XX -0.000000 -0.000000 -0.000169 -0.000003 0.000004 401 F 35 YY 0.000000 0.000000 0.000102 0.000014 -0.000010 402 F 35 ZZ -0.000000 -0.000000 0.000067 -0.000011 0.000006 403 F 35 XY -0.000000 -0.000000 -0.000029 -0.000007 0.000003 404 F 35 XZ 0.000001 0.000000 0.000090 0.000052 -0.000003 405 F 35 YZ -0.000000 -0.000000 0.000009 0.000006 -0.000002 406 F 36 S -0.000000 0.000000 -0.069079 0.998776 0.001027 407 F 36 S -0.000001 0.000000 -0.000124 0.001501 -0.000039 408 F 36 S 0.000003 0.000000 0.000445 -0.006023 0.000300 409 F 36 X -0.000000 -0.000000 -0.000046 0.000031 0.000017 410 F 36 Y -0.000000 -0.000000 0.000004 -0.000092 0.000026 411 F 36 Z 0.000000 0.000000 -0.000080 0.001066 0.000003 412 F 36 X 0.000003 -0.000000 0.000412 -0.000070 -0.000035 413 F 36 Y -0.000000 0.000000 0.000036 0.000152 -0.000089 414 F 36 Z 0.000002 -0.000002 -0.000048 -0.001726 0.000032 415 F 36 XX -0.000000 0.000000 0.000000 0.000098 0.000018 416 F 36 YY -0.000000 -0.000000 0.000004 0.000110 -0.000008 417 F 36 ZZ 0.000000 -0.000000 -0.000004 -0.000208 -0.000010 418 F 36 XY 0.000000 -0.000000 -0.000005 -0.000001 -0.000017 419 F 36 XZ 0.000000 -0.000000 0.000049 -0.000012 -0.000002 420 F 36 YZ -0.000000 -0.000000 0.000005 0.000032 -0.000006 421 C 37 S -0.000005 0.000009 -0.000007 -0.000004 0.000002 422 C 37 S -0.000010 0.000016 -0.000011 -0.000007 0.000000 423 C 37 S 0.000002 -0.000152 0.000154 0.000125 -0.000624 424 C 37 X 0.000004 -0.000000 0.000002 0.000001 0.000015 425 C 37 Y -0.000004 -0.000001 -0.000005 -0.000003 0.000001 426 C 37 Z 0.000001 0.000001 0.000002 -0.000000 -0.000009 427 C 37 X 0.000167 0.000041 -0.000204 -0.000070 0.000158 428 C 37 Y 0.000079 0.000036 0.000048 0.000102 -0.000083 429 C 37 Z 0.000014 0.000015 0.000026 -0.000011 -0.000046 430 C 37 XX -0.000005 0.000004 0.000007 -0.000001 -0.000002 431 C 37 YY 0.000009 -0.000009 0.000003 0.000001 -0.000013 432 C 37 ZZ -0.000004 0.000005 -0.000010 -0.000000 0.000015 433 C 37 XY 0.000010 0.000001 0.000001 -0.000001 -0.000000 434 C 37 XZ -0.000000 -0.000000 -0.000000 0.000004 0.000007 435 C 37 YZ -0.000000 -0.000005 -0.000004 0.000001 0.000006 436 S 38 S 1.000045 0.000000 -0.000006 0.000000 0.000006 437 S 38 S 0.000225 -0.000002 -0.000041 0.000003 0.000040 438 S 38 S 0.000260 -0.000002 -0.000044 0.000004 0.000050 439 S 38 S -0.001251 0.000043 0.000437 -0.000013 -0.000198 440 S 38 X 0.000038 -0.000001 -0.000005 -0.000002 -0.000012 441 S 38 Y -0.000049 -0.000001 -0.000009 0.000000 0.000000 442 S 38 Z -0.000001 0.000000 0.000001 0.000003 0.000001 443 S 38 X 0.000002 -0.000003 -0.000018 -0.000007 -0.000038 444 S 38 Y 0.000000 -0.000002 -0.000029 0.000001 0.000002 445 S 38 Z -0.000002 0.000000 0.000002 0.000012 0.000004 446 S 38 X -0.000231 -0.000017 0.000147 -0.000021 0.000296 447 S 38 Y 0.000307 -0.000019 -0.000119 -0.000003 0.000193 448 S 38 Z 0.000000 0.000003 -0.000022 -0.000002 0.000040 449 S 38 XX -0.000024 -0.000000 0.000016 0.000003 0.000005 450 S 38 YY -0.000023 0.000000 -0.000007 -0.000003 -0.000017 451 S 38 ZZ 0.000047 -0.000000 -0.000010 -0.000000 0.000013 452 S 38 XY 0.000008 0.000007 -0.000002 0.000004 -0.000041 453 S 38 XZ -0.000002 0.000000 0.000002 0.000002 -0.000002 454 S 38 YZ -0.000002 -0.000001 0.000008 -0.000011 -0.000017 455 S 38 XX 0.000005 0.000000 -0.000002 -0.000001 0.000000 456 S 38 YY 0.000005 -0.000000 0.000001 0.000000 0.000002 457 S 38 ZZ -0.000011 0.000000 0.000001 0.000000 -0.000002 458 S 38 XY -0.000000 -0.000001 0.000001 -0.000000 0.000006 459 S 38 XZ 0.000000 -0.000000 -0.000000 -0.000000 0.000000 460 S 38 YZ 0.000000 0.000000 -0.000001 0.000002 0.000003 461 H 39 S -0.000016 0.000003 0.000017 0.000006 0.000015 462 H 39 S -0.000049 -0.000009 0.000060 0.000024 -0.000020 463 H 39 X -0.000006 0.000000 0.000006 0.000001 -0.000005 464 H 39 Y -0.000007 -0.000001 0.000000 -0.000003 0.000004 465 H 39 Z -0.000002 0.000000 -0.000002 0.000002 0.000001 6 7 8 9 10 -26.3319 -26.3269 -26.3236 -11.4439 -11.4430 A A A A A 1 C 1 S 0.000030 0.000018 0.000035 -0.000013 -0.000054 2 C 1 S 0.000053 0.000030 0.000058 -0.000023 -0.000088 3 C 1 S -0.000434 -0.000042 -0.000840 0.000060 0.000402 4 C 1 X -0.000003 0.000003 0.000027 0.000003 -0.000009 5 C 1 Y -0.000004 0.000015 -0.000007 0.000002 -0.000021 6 C 1 Z 0.000001 -0.000000 -0.000008 -0.000003 -0.000002 7 C 1 X 0.000483 0.000122 0.000589 -0.000153 -0.000542 8 C 1 Y 0.000067 -0.000352 -0.000095 -0.000036 0.000507 9 C 1 Z -0.000046 -0.000013 0.000018 0.000019 0.000074 10 C 1 XX -0.000024 -0.000015 -0.000048 0.000010 0.000047 11 C 1 YY 0.000007 -0.000003 0.000015 -0.000002 -0.000005 12 C 1 ZZ 0.000018 0.000018 0.000033 -0.000009 -0.000042 13 C 1 XY 0.000008 0.000012 0.000012 -0.000003 -0.000017 14 C 1 XZ 0.000006 -0.000000 -0.000003 -0.000002 -0.000009 15 C 1 YZ 0.000000 0.000003 -0.000002 0.000001 0.000005 16 C 2 S 0.000025 0.000001 -0.000044 -0.000026 -0.000004 17 C 2 S 0.000046 0.000007 -0.000070 -0.000042 -0.000009 18 C 2 S -0.000582 0.000144 0.000881 0.000317 0.000022 19 C 2 X -0.000006 -0.000003 -0.000010 0.000002 -0.000007 20 C 2 Y -0.000014 0.000014 0.000003 0.000005 0.000006 21 C 2 Z -0.000003 -0.000006 0.000017 0.000002 0.000002 22 C 2 X 0.000582 -0.000211 0.000530 -0.000078 -0.000025 23 C 2 Y -0.000805 0.000102 -0.000117 0.000420 0.000461 24 C 2 Z 0.000011 0.000000 -0.000192 0.000017 -0.000008 25 C 2 XX 0.000025 0.000009 0.000063 -0.000012 -0.000060 26 C 2 YY -0.000040 0.000004 -0.000021 0.000029 0.000050 27 C 2 ZZ 0.000015 -0.000013 -0.000042 -0.000017 0.000010 28 C 2 XY 0.000016 -0.000023 -0.000029 -0.000000 0.000032 29 C 2 XZ -0.000006 -0.000005 -0.000008 0.000001 0.000012 30 C 2 YZ 0.000015 -0.000002 -0.000016 0.000003 -0.000013 31 C 3 S 0.000003 0.000070 0.000029 -0.000010 -0.000100 32 C 3 S 0.000010 0.000112 0.000054 -0.000025 -0.000167 33 C 3 S 0.000025 -0.002536 -0.000624 -0.001382 0.003504 34 C 3 X 0.000002 0.000012 -0.000031 0.000007 0.000007 35 C 3 Y 0.000009 -0.000023 -0.000013 -0.000028 0.000014 36 C 3 Z 0.000018 -0.000007 -0.000001 0.000009 -0.000053 37 C 3 X 0.000055 0.002033 0.000357 -0.000524 -0.002817 38 C 3 Y -0.001585 -0.000373 -0.000264 0.000033 0.001564 39 C 3 Z -0.000340 0.000055 0.000319 0.000020 0.000185 40 C 3 XX -0.000015 -0.000049 0.000008 0.000028 0.000078 41 C 3 YY 0.000010 -0.000003 -0.000012 -0.000015 -0.000052 42 C 3 ZZ 0.000004 0.000053 0.000004 -0.000012 -0.000027 43 C 3 XY 0.000025 0.000067 0.000019 -0.000039 -0.000043 44 C 3 XZ 0.000006 0.000017 -0.000002 -0.000021 0.000031 45 C 3 YZ -0.000005 -0.000010 0.000010 -0.000010 -0.000005 46 C 4 S 0.000024 0.000009 0.000010 -0.000096 -0.000037 47 C 4 S 0.000044 0.000013 0.000016 -0.000164 -0.000062 48 C 4 S 0.000388 -0.000387 -0.000144 0.001133 0.000623 49 C 4 X -0.000037 0.000017 0.000013 0.000023 0.000003 50 C 4 Y 0.000007 -0.000010 -0.000005 -0.000017 0.000019 51 C 4 Z 0.000000 -0.000012 -0.000011 -0.000009 0.000019 52 C 4 X 0.000024 -0.000133 -0.000092 -0.000489 0.000130 53 C 4 Y -0.000190 0.000572 0.000231 0.000067 -0.000312 54 C 4 Z -0.000017 0.000046 -0.000091 -0.000231 -0.000625 55 C 4 XX -0.000006 0.000009 -0.000011 0.000009 -0.000037 56 C 4 YY -0.000009 -0.000013 0.000001 0.000012 0.000048 57 C 4 ZZ 0.000015 0.000004 0.000010 -0.000020 -0.000011 58 C 4 XY 0.000003 -0.000016 -0.000014 0.000038 -0.000013 59 C 4 XZ -0.000006 0.000010 0.000013 0.000000 0.000010 60 C 4 YZ 0.000000 -0.000013 -0.000000 -0.000014 -0.000019 61 S 5 S 0.000008 -0.000001 -0.000002 -0.000007 -0.000002 62 S 5 S 0.000053 -0.000009 -0.000011 -0.000051 -0.000012 63 S 5 S 0.000062 -0.000007 -0.000011 -0.000061 -0.000019 64 S 5 S -0.000305 0.000270 0.000074 0.000208 -0.000213 65 S 5 X 0.000002 -0.000010 -0.000004 0.000003 0.000012 66 S 5 Y -0.000002 0.000001 -0.000001 -0.000003 -0.000001 67 S 5 Z -0.000001 0.000003 0.000003 0.000001 0.000000 68 S 5 X 0.000008 -0.000031 -0.000014 0.000007 0.000038 69 S 5 Y -0.000007 0.000003 -0.000005 -0.000009 -0.000003 70 S 5 Z -0.000005 0.000010 0.000011 0.000004 0.000002 71 S 5 X 0.000091 -0.000098 -0.000085 -0.000061 0.000112 72 S 5 Y 0.000086 0.000010 0.000081 0.000024 -0.000063 73 S 5 Z -0.000021 0.000041 0.000013 0.000021 -0.000023 74 S 5 XX -0.000001 -0.000001 0.000021 -0.000006 -0.000009 75 S 5 YY -0.000012 0.000000 -0.000021 0.000014 0.000006 76 S 5 ZZ 0.000013 0.000001 0.000000 -0.000008 0.000002 77 S 5 XY 0.000005 -0.000002 0.000004 -0.000003 -0.000001 78 S 5 XZ 0.000009 -0.000018 -0.000008 -0.000005 -0.000001 79 S 5 YZ -0.000009 0.000007 0.000012 0.000006 0.000000 80 S 5 XX 0.000000 0.000001 -0.000003 0.000000 0.000001 81 S 5 YY 0.000002 0.000000 0.000003 -0.000002 -0.000001 82 S 5 ZZ -0.000002 -0.000001 -0.000000 0.000001 0.000000 83 S 5 XY -0.000000 0.000000 -0.000001 0.000001 0.000000 84 S 5 XZ -0.000001 0.000003 0.000001 0.000001 0.000000 85 S 5 YZ 0.000001 -0.000001 -0.000002 -0.000001 -0.000000 86 H 6 S 0.000033 -0.000010 0.000020 -0.000009 -0.000000 87 H 6 S -0.000197 -0.000028 -0.000063 0.000119 0.000279 88 H 6 X -0.000020 0.000006 -0.000028 0.000012 0.000010 89 H 6 Y 0.000001 0.000001 -0.000001 -0.000014 0.000003 90 H 6 Z 0.000002 0.000000 0.000010 -0.000002 0.000003 91 C 7 S -0.000005 0.000007 0.000053 -0.000162 0.000135 92 C 7 S -0.000006 0.000019 0.000088 -0.000230 0.000196 93 C 7 S 0.000860 -0.000154 -0.001111 0.004473 -0.003634 94 C 7 X -0.000017 -0.000003 0.000019 0.000033 -0.000000 95 C 7 Y -0.000022 -0.000034 -0.000001 0.000019 -0.000014 96 C 7 Z -0.000010 0.000011 -0.000005 0.000004 -0.000067 97 C 7 X -0.000826 0.000060 0.001075 -0.001810 0.000625 98 C 7 Y -0.000138 0.000587 0.000435 -0.002908 0.002186 99 C 7 Z 0.000365 0.000204 -0.000284 0.000418 0.000218 100 C 7 XX 0.000010 0.000010 -0.000039 0.000010 -0.000023 101 C 7 YY -0.000010 -0.000002 0.000004 0.000040 -0.000030 102 C 7 ZZ -0.000000 -0.000008 0.000035 -0.000050 0.000052 103 C 7 XY 0.000038 -0.000018 -0.000065 0.000096 -0.000065 104 C 7 XZ -0.000020 -0.000019 0.000026 -0.000009 0.000027 105 C 7 YZ -0.000019 -0.000007 0.000021 -0.000026 0.000018 106 C 8 S -0.000011 0.000010 0.000017 -0.000034 0.000004 107 C 8 S -0.000018 0.000018 0.000029 -0.000057 0.000009 108 C 8 S 0.000135 -0.000057 -0.000126 0.000290 0.000459 109 C 8 X 0.000005 -0.000000 -0.000005 0.000020 -0.000010 110 C 8 Y 0.000002 -0.000005 -0.000008 0.000009 -0.000032 111 C 8 Z 0.000002 -0.000004 -0.000002 0.000003 -0.000002 112 C 8 X -0.000149 -0.000001 0.000058 -0.000271 0.000119 113 C 8 Y -0.000155 0.000149 0.000304 -0.000654 0.000306 114 C 8 Z -0.000027 0.000047 0.000035 -0.000078 0.000019 115 C 8 XX 0.000005 -0.000005 -0.000003 0.000015 0.000002 116 C 8 YY 0.000003 -0.000000 -0.000009 0.000012 -0.000008 117 C 8 ZZ -0.000008 0.000006 0.000012 -0.000027 0.000006 118 C 8 XY 0.000005 0.000004 -0.000000 0.000007 -0.000004 119 C 8 XZ -0.000000 -0.000002 0.000001 -0.000003 -0.000003 120 C 8 YZ 0.000004 -0.000000 -0.000005 0.000000 -0.000001 121 C 9 S -0.000024 0.000026 0.000034 -0.000059 0.000001 122 C 9 S -0.000040 0.000047 0.000062 -0.000113 0.000008 123 C 9 S 0.000581 0.000019 -0.000423 -0.000144 0.000677 124 C 9 X -0.000007 -0.000027 -0.000012 0.000042 -0.000038 125 C 9 Y -0.000008 0.000001 -0.000006 -0.000002 -0.000010 126 C 9 Z 0.000014 -0.000008 -0.000013 -0.000008 0.000003 127 C 9 X -0.000054 0.000271 0.000227 -0.000017 -0.000304 128 C 9 Y 0.000282 0.000177 -0.000031 0.000642 0.000773 129 C 9 Z 0.000043 -0.000204 0.000006 -0.000284 0.000188 130 C 9 XX -0.000007 -0.000007 0.000011 0.000032 0.000039 131 C 9 YY 0.000011 0.000006 -0.000009 0.000005 -0.000046 132 C 9 ZZ -0.000005 0.000001 -0.000002 -0.000037 0.000006 133 C 9 XY 0.000004 0.000013 0.000015 -0.000008 -0.000006 134 C 9 XZ -0.000002 0.000020 0.000006 -0.000000 0.000000 135 C 9 YZ -0.000001 0.000009 0.000008 0.000014 0.000027 136 C 10 S 0.000052 -0.000031 -0.000015 0.001805 -0.000938 137 C 10 S 0.000083 -0.000079 -0.000010 -0.000208 -0.000145 138 C 10 S -0.002325 0.000674 0.001809 0.002451 -0.000766 139 C 10 X 0.000033 0.000091 -0.000024 -0.000121 0.000094 140 C 10 Y 0.000001 -0.000059 -0.000033 0.000059 -0.000008 141 C 10 Z 0.000014 -0.000002 -0.000006 0.000030 0.000047 142 C 10 X -0.000557 0.000988 0.000064 -0.008569 0.005316 143 C 10 Y -0.000541 -0.000971 0.001159 0.000013 -0.000314 144 C 10 Z -0.000476 -0.001127 0.000218 0.000854 -0.001000 145 C 10 XX -0.000065 -0.000084 0.000065 0.000203 0.000005 146 C 10 YY 0.000037 0.000076 -0.000040 -0.000166 0.000060 147 C 10 ZZ 0.000028 0.000007 -0.000025 -0.000036 -0.000065 148 C 10 XY 0.000011 0.000012 0.000068 -0.000092 0.000100 149 C 10 XZ 0.000036 0.000162 -0.000002 0.000035 0.000083 150 C 10 YZ 0.000046 -0.000047 -0.000028 0.000006 0.000039 151 C 11 S 0.000085 0.000040 -0.000006 -0.000044 0.000333 152 C 11 S 0.000122 0.000082 -0.000040 -0.000155 0.000119 153 C 11 S -0.001239 0.001341 -0.000137 0.000034 -0.003566 154 C 11 X 0.000024 -0.000061 0.000081 -0.000014 0.000033 155 C 11 Y -0.000001 0.000034 0.000064 -0.000017 -0.000023 156 C 11 Z -0.000009 0.000006 0.000005 -0.000013 0.000074 157 C 11 X 0.002321 0.001733 0.001347 0.001812 -0.004114 158 C 11 Y 0.001563 -0.002242 0.000409 0.000717 0.000840 159 C 11 Z 0.000975 0.000300 -0.000903 -0.000260 -0.000361 160 C 11 XX -0.000042 0.000079 -0.000080 -0.000009 0.000016 161 C 11 YY -0.000045 -0.000089 0.000022 0.000105 -0.000079 162 C 11 ZZ 0.000086 0.000010 0.000057 -0.000096 0.000063 163 C 11 XY -0.000118 -0.000071 -0.000059 0.000080 -0.000006 164 C 11 XZ -0.000114 0.000042 0.000137 0.000017 0.000075 165 C 11 YZ -0.000037 -0.000010 0.000061 0.000031 -0.000018 166 C 12 S -0.000178 -0.000341 0.000167 0.924453 -0.387714 167 C 12 S -0.000308 -0.000535 0.000297 0.004298 -0.002201 168 C 12 S 0.001359 0.004999 -0.001284 -0.014652 0.012410 169 C 12 X -0.000021 -0.000108 0.000006 -0.000671 0.000073 170 C 12 Y 0.000030 0.000133 -0.000047 0.000677 -0.000556 171 C 12 Z -0.000025 0.000351 0.000001 0.000367 -0.000316 172 C 12 X 0.000627 -0.000117 -0.000622 -0.003449 0.000946 173 C 12 Y -0.000724 -0.000812 0.000132 0.003010 -0.003168 174 C 12 Z 0.000310 0.002588 0.000011 0.001096 -0.001042 175 C 12 XX 0.000003 -0.000072 0.000019 -0.000336 0.000017 176 C 12 YY -0.000021 -0.000083 -0.000027 0.000109 0.000044 177 C 12 ZZ 0.000017 0.000155 0.000008 0.000227 -0.000061 178 C 12 XY -0.000009 -0.000050 0.000019 -0.000026 0.000098 179 C 12 XZ -0.000006 -0.000091 0.000004 -0.000020 0.000029 180 C 12 YZ 0.000044 0.000048 0.000009 -0.000164 0.000088 181 C 13 S 0.000148 0.000023 0.000011 0.385640 0.914083 182 C 13 S 0.000235 0.000014 -0.000004 0.001453 0.004228 183 C 13 S -0.001964 -0.001196 -0.000654 0.000317 -0.012961 184 C 13 X -0.000038 -0.000061 -0.000058 -0.000228 -0.000833 185 C 13 Y 0.000044 -0.000119 0.000116 0.000341 -0.000173 186 C 13 Z -0.000024 -0.000040 -0.000010 -0.000113 -0.000676 187 C 13 X -0.000658 0.000186 0.000287 -0.000019 -0.003605 188 C 13 Y 0.000861 -0.000124 0.000433 0.001318 -0.000754 189 C 13 Z 0.000287 -0.000983 -0.000800 0.000034 -0.001676 190 C 13 XX 0.000008 0.000062 0.000051 0.000002 0.000152 191 C 13 YY -0.000094 -0.000016 -0.000038 -0.000143 -0.000349 192 C 13 ZZ 0.000086 -0.000045 -0.000014 0.000141 0.000197 193 C 13 XY 0.000059 -0.000029 0.000038 0.000116 0.000028 194 C 13 XZ 0.000043 -0.000050 -0.000055 -0.000077 -0.000213 195 C 13 YZ -0.000048 -0.000113 0.000097 0.000041 -0.000104 196 C 14 S -0.000302 0.000103 -0.000321 0.038265 0.139180 197 C 14 S -0.000452 0.000188 -0.000500 -0.000191 0.000368 198 C 14 S 0.006456 -0.000069 0.004914 0.002492 0.001967 199 C 14 X -0.000028 0.000029 -0.000110 -0.000021 -0.000315 200 C 14 Y -0.000272 0.000050 -0.000207 0.000002 0.000104 201 C 14 Z -0.000186 0.000010 0.000307 -0.000037 -0.000063 202 C 14 X 0.000629 -0.000460 -0.000252 -0.000147 -0.001362 203 C 14 Y -0.001164 0.000253 0.000020 0.000572 0.001055 204 C 14 Z -0.002336 -0.000139 0.002601 0.000610 -0.000565 205 C 14 XX -0.000065 0.000009 -0.000096 -0.000127 -0.000046 206 C 14 YY 0.000065 -0.000025 -0.000039 0.000100 0.000033 207 C 14 ZZ 0.000000 0.000016 0.000135 0.000027 0.000013 208 C 14 XY 0.000073 0.000020 0.000103 -0.000024 -0.000124 209 C 14 XZ 0.000005 -0.000009 -0.000084 -0.000035 0.000014 210 C 14 YZ 0.000177 -0.000029 -0.000100 0.000049 -0.000032 211 F 15 S 0.000214 1.001150 0.000301 -0.000036 0.000022 212 F 15 S 0.000080 0.001481 -0.000044 0.000124 -0.000053 213 F 15 S -0.000355 -0.005971 0.000189 0.000403 -0.000553 214 F 15 X 0.000002 0.000266 0.000004 0.000060 -0.000002 215 F 15 Y -0.000001 -0.000107 -0.000009 0.000039 0.000033 216 F 15 Z 0.000002 -0.001009 0.000007 -0.000274 0.000149 217 F 15 X -0.000077 -0.000461 0.000029 0.000067 -0.000118 218 F 15 Y 0.000070 0.000218 -0.000007 -0.000375 0.000074 219 F 15 Z 0.000101 0.001642 -0.000085 0.000365 -0.000019 220 F 15 XX -0.000005 0.000093 0.000001 0.000048 -0.000029 221 F 15 YY 0.000008 0.000094 -0.000002 0.000101 -0.000024 222 F 15 ZZ -0.000003 -0.000187 0.000000 -0.000149 0.000053 223 F 15 XY -0.000000 0.000016 0.000003 0.000011 0.000023 224 F 15 XZ 0.000007 0.000092 -0.000001 0.000061 -0.000010 225 F 15 YZ -0.000007 -0.000037 0.000007 0.000014 0.000019 226 F 16 S 0.000240 0.001163 -0.000032 0.000021 0.000022 227 F 16 S -0.000051 0.000013 0.000013 0.000242 -0.000058 228 F 16 S 0.000200 -0.000103 0.000026 -0.000024 -0.000374 229 F 16 X 0.000010 -0.000023 -0.000013 0.000041 -0.000010 230 F 16 Y -0.000011 0.000017 -0.000010 -0.000213 0.000127 231 F 16 Z -0.000002 0.000040 -0.000004 0.000182 -0.000060 232 F 16 X -0.000043 0.000117 0.000084 0.000125 -0.000065 233 F 16 Y 0.000028 0.000044 -0.000001 0.000208 0.000077 234 F 16 Z 0.000022 -0.000456 0.000048 -0.000516 0.000110 235 F 16 XX -0.000001 0.000017 -0.000003 0.000046 -0.000026 236 F 16 YY -0.000001 0.000010 -0.000001 -0.000063 0.000037 237 F 16 ZZ 0.000002 -0.000027 0.000003 0.000017 -0.000011 238 F 16 XY 0.000000 -0.000015 -0.000007 0.000049 -0.000002 239 F 16 XZ -0.000001 -0.000006 0.000004 -0.000030 0.000018 240 F 16 YZ -0.000000 0.000038 -0.000007 0.000130 -0.000035 241 F 17 S 1.001176 -0.000153 0.001154 -0.000036 0.000042 242 F 17 S 0.001533 0.000035 0.000047 -0.000066 0.000099 243 F 17 S -0.006155 -0.000047 -0.000228 0.000111 -0.000376 244 F 17 X 0.000112 -0.000009 -0.000020 0.000007 0.000010 245 F 17 Y 0.000802 0.000016 -0.000028 -0.000026 0.000003 246 F 17 Z 0.000672 -0.000005 0.000032 0.000026 0.000032 247 F 17 X -0.000210 0.000054 0.000115 0.000005 0.000044 248 F 17 Y -0.001386 -0.000063 0.000050 0.000048 -0.000160 249 F 17 Z -0.001099 0.000051 -0.000462 -0.000174 -0.000111 250 F 17 XX 0.000113 -0.000005 0.000013 0.000015 -0.000000 251 F 17 YY -0.000088 -0.000004 0.000025 0.000007 0.000005 252 F 17 ZZ -0.000025 0.000009 -0.000038 -0.000022 -0.000005 253 F 17 XY -0.000031 0.000006 0.000014 -0.000007 -0.000020 254 F 17 XZ -0.000024 0.000003 0.000004 -0.000002 0.000004 255 F 17 YZ -0.000172 0.000004 -0.000026 -0.000022 -0.000026 256 F 18 S -0.001096 -0.000342 1.001150 0.000070 -0.000039 257 F 18 S 0.000044 -0.000033 0.001483 0.000132 -0.000054 258 F 18 S -0.000240 0.000121 -0.005956 -0.000601 0.000033 259 F 18 X -0.000006 0.000007 0.000286 0.000005 0.000034 260 F 18 Y -0.000053 0.000010 0.000355 -0.000034 -0.000023 261 F 18 Z -0.000012 0.000012 -0.000937 -0.000011 -0.000020 262 F 18 X -0.000016 -0.000002 -0.000502 -0.000032 -0.000069 263 F 18 Y 0.000330 -0.000011 -0.000615 -0.000010 0.000061 264 F 18 Z 0.000383 -0.000044 0.001525 0.000178 0.000105 265 F 18 XX 0.000014 0.000003 0.000091 0.000004 0.000003 266 F 18 YY 0.000030 0.000004 0.000058 0.000003 0.000028 267 F 18 ZZ -0.000044 -0.000007 -0.000149 -0.000007 -0.000031 268 F 18 XY 0.000014 -0.000004 -0.000037 -0.000005 -0.000036 269 F 18 XZ 0.000005 0.000001 0.000093 0.000003 0.000018 270 F 18 YZ -0.000023 -0.000002 0.000112 0.000004 -0.000009 271 C 19 S -0.000002 0.000008 0.000010 -0.000027 0.000020 272 C 19 S -0.000004 0.000014 0.000018 -0.000045 0.000033 273 C 19 S 0.000108 -0.000097 -0.000194 0.000455 -0.000375 274 C 19 X -0.000001 0.000001 0.000002 -0.000000 0.000009 275 C 19 Y -0.000001 0.000001 0.000001 -0.000005 0.000010 276 C 19 Z -0.000001 0.000000 0.000000 0.000001 0.000001 277 C 19 X -0.000010 0.000048 0.000056 -0.000171 0.000090 278 C 19 Y -0.000035 0.000046 0.000067 -0.000161 0.000144 279 C 19 Z -0.000007 -0.000015 0.000013 -0.000047 0.000028 280 C 19 XX -0.000002 -0.000001 -0.000002 -0.000001 0.000000 281 C 19 YY -0.000000 -0.000002 -0.000000 0.000003 -0.000004 282 C 19 ZZ 0.000003 0.000003 0.000002 -0.000002 0.000004 283 C 19 XY -0.000002 -0.000004 -0.000002 0.000006 -0.000009 284 C 19 XZ -0.000001 0.000000 -0.000001 0.000000 -0.000002 285 C 19 YZ 0.000000 -0.000000 -0.000001 -0.000001 -0.000003 286 H 20 S -0.000003 0.000004 0.000009 -0.000007 0.000018 287 H 20 S -0.000004 -0.000024 -0.000015 0.000051 -0.000003 288 H 20 X -0.000000 0.000002 -0.000000 -0.000003 -0.000001 289 H 20 Y -0.000001 0.000001 0.000001 0.000000 0.000001 290 H 20 Z -0.000000 0.000002 0.000000 0.000002 -0.000001 291 H 21 S -0.000002 0.000003 0.000005 -0.000028 0.000016 292 H 21 S -0.000006 -0.000020 0.000004 0.000003 -0.000007 293 H 21 X -0.000000 -0.000001 0.000000 0.000001 0.000002 294 H 21 Y 0.000002 0.000001 -0.000000 0.000001 0.000000 295 H 21 Z -0.000001 -0.000002 0.000001 -0.000002 -0.000000 296 C 22 S 0.000018 0.000006 0.000005 -0.000011 -0.000024 297 C 22 S 0.000033 0.000011 0.000010 -0.000019 -0.000041 298 C 22 S -0.000095 -0.000236 -0.000058 0.000050 0.000444 299 C 22 X -0.000004 0.000003 -0.000001 0.000002 -0.000003 300 C 22 Y 0.000008 -0.000004 0.000010 -0.000004 0.000003 301 C 22 Z 0.000002 0.000000 0.000001 0.000000 0.000000 302 C 22 X -0.000021 0.000031 -0.000085 0.000003 -0.000040 303 C 22 Y -0.000086 -0.000075 -0.000068 0.000055 0.000176 304 C 22 Z -0.000019 -0.000008 0.000001 -0.000001 0.000011 305 C 22 XX 0.000000 -0.000000 0.000003 -0.000000 0.000000 306 C 22 YY -0.000013 0.000004 -0.000007 0.000006 0.000004 307 C 22 ZZ 0.000012 -0.000004 0.000004 -0.000006 -0.000004 308 C 22 XY -0.000007 0.000002 -0.000013 0.000001 0.000002 309 C 22 XZ -0.000002 -0.000001 0.000002 -0.000000 0.000000 310 C 22 YZ 0.000000 0.000001 -0.000003 -0.000000 0.000000 311 H 23 S 0.000008 0.000003 -0.000005 -0.000003 -0.000011 312 H 23 S -0.000038 0.000005 -0.000042 0.000027 0.000006 313 H 23 X 0.000004 -0.000000 0.000001 -0.000001 -0.000003 314 H 23 Y 0.000002 0.000000 0.000006 0.000001 -0.000004 315 H 23 Z 0.000001 0.000001 0.000001 0.000001 0.000000 316 H 24 S 0.000005 0.000012 -0.000002 -0.000002 -0.000017 317 H 24 S 0.000011 -0.000002 0.000002 0.000001 -0.000001 318 H 24 X 0.000001 0.000000 0.000010 -0.000001 -0.000002 319 H 24 Y 0.000000 -0.000002 -0.000004 -0.000002 0.000002 320 H 24 Z 0.000001 -0.000003 -0.000001 -0.000001 0.000003 321 H 25 S -0.000003 0.000008 0.000002 -0.000004 -0.000015 322 H 25 S -0.000012 0.000005 0.000022 0.000004 0.000001 323 H 25 X 0.000006 0.000000 0.000005 -0.000001 -0.000003 324 H 25 Y -0.000002 -0.000001 -0.000001 -0.000001 0.000004 325 H 25 Z -0.000003 0.000003 0.000003 0.000002 -0.000003 326 C 26 S -0.000007 0.000017 0.000004 0.000001 -0.000014 327 C 26 S -0.000014 0.000033 0.000011 0.000002 -0.000024 328 C 26 S -0.000020 -0.000088 0.000083 -0.000114 0.000178 329 C 26 X -0.000001 -0.000011 -0.000003 0.000006 0.000000 330 C 26 Y -0.000003 0.000000 0.000001 -0.000003 -0.000007 331 C 26 Z -0.000011 0.000010 0.000018 -0.000002 -0.000000 332 C 26 X -0.000010 0.000029 0.000025 -0.000015 -0.000005 333 C 26 Y 0.000003 -0.000048 0.000013 -0.000110 -0.000060 334 C 26 Z 0.000049 -0.000090 -0.000014 -0.000036 0.000086 335 C 26 XX -0.000013 0.000010 0.000013 -0.000011 0.000026 336 C 26 YY 0.000004 -0.000005 -0.000005 0.000001 -0.000022 337 C 26 ZZ 0.000009 -0.000005 -0.000007 0.000011 -0.000004 338 C 26 XY -0.000006 -0.000017 -0.000008 0.000006 -0.000021 339 C 26 XZ -0.000000 -0.000022 -0.000015 0.000016 -0.000020 340 C 26 YZ -0.000011 -0.000005 -0.000006 -0.000017 -0.000009 341 H 27 S 0.000004 0.000036 0.000000 0.000012 0.000001 342 H 27 S 0.000039 -0.000056 -0.000013 -0.000070 -0.000032 343 H 27 X 0.000002 0.000006 0.000020 -0.000007 0.000016 344 H 27 Y 0.000001 -0.000000 0.000007 0.000007 -0.000007 345 H 27 Z 0.000004 0.000003 -0.000011 0.000004 -0.000004 346 H 28 S -0.000007 0.000012 -0.000012 0.000002 -0.000013 347 H 28 S 0.000026 0.000006 -0.000024 0.000067 0.000032 348 H 28 X -0.000004 -0.000010 -0.000002 -0.000005 0.000000 349 H 28 Y 0.000004 0.000000 -0.000002 0.000007 -0.000008 350 H 28 Z 0.000000 0.000006 -0.000006 0.000003 -0.000010 351 H 29 S 0.000010 -0.000026 -0.000026 0.000021 -0.000029 352 H 29 S 0.000020 -0.000041 -0.000030 -0.000008 0.000018 353 H 29 X -0.000004 0.000013 0.000007 -0.000006 0.000014 354 H 29 Y 0.000003 -0.000007 -0.000007 0.000007 -0.000003 355 H 29 Z 0.000000 -0.000004 -0.000007 0.000006 0.000003 356 C 30 S 0.000009 -0.000005 -0.000008 -0.000012 -0.000004 357 C 30 S 0.000018 -0.000011 -0.000017 -0.000021 -0.000006 358 C 30 S -0.000023 -0.000059 0.000029 -0.000040 0.000261 359 C 30 X -0.000007 0.000001 0.000005 0.000004 -0.000001 360 C 30 Y 0.000001 0.000002 -0.000001 0.000005 -0.000006 361 C 30 Z -0.000002 0.000011 0.000007 0.000018 -0.000012 362 C 30 X 0.000018 0.000028 -0.000027 0.000074 0.000037 363 C 30 Y 0.000017 -0.000084 -0.000060 -0.000030 -0.000041 364 C 30 Z -0.000000 -0.000030 -0.000051 -0.000007 -0.000165 365 C 30 XX 0.000003 0.000002 -0.000001 0.000000 -0.000031 366 C 30 YY 0.000001 -0.000005 -0.000002 -0.000004 0.000009 367 C 30 ZZ -0.000004 0.000004 0.000003 0.000004 0.000022 368 C 30 XY 0.000021 -0.000007 -0.000015 -0.000003 -0.000006 369 C 30 XZ 0.000019 -0.000013 -0.000010 -0.000023 0.000003 370 C 30 YZ -0.000008 0.000020 0.000009 0.000014 -0.000011 371 H 31 S -0.000003 0.000006 -0.000004 0.000015 -0.000006 372 H 31 S 0.000028 -0.000028 -0.000021 -0.000010 0.000001 373 H 31 X -0.000006 0.000006 0.000010 -0.000003 -0.000006 374 H 31 Y 0.000001 0.000009 0.000006 0.000003 -0.000013 375 H 31 Z -0.000003 0.000001 0.000004 -0.000004 -0.000003 376 H 32 S 0.000017 -0.000012 -0.000024 0.000013 -0.000008 377 H 32 S 0.000004 0.000103 0.000053 0.000078 0.000101 378 H 32 X 0.000014 -0.000014 -0.000003 -0.000020 0.000010 379 H 32 Y 0.000003 0.000007 0.000001 0.000005 -0.000015 380 H 32 Z 0.000002 -0.000007 -0.000002 -0.000018 -0.000004 381 H 33 S -0.000012 0.000008 0.000015 0.000013 0.000005 382 H 33 S -0.000018 0.000015 0.000040 -0.000016 -0.000003 383 H 33 X 0.000007 -0.000005 -0.000007 -0.000004 -0.000007 384 H 33 Y 0.000009 0.000001 -0.000005 -0.000002 -0.000004 385 H 33 Z 0.000001 0.000005 0.000000 -0.000005 -0.000001 386 H 34 S -0.000005 0.000005 0.000007 -0.000020 0.000014 387 H 34 S 0.000008 0.000012 -0.000007 0.000026 -0.000007 388 H 34 X -0.000002 -0.000000 0.000001 0.000003 0.000001 389 H 34 Y -0.000000 -0.000001 0.000001 -0.000002 -0.000001 390 H 34 Z 0.000000 -0.000000 0.000000 0.000001 -0.000001 391 F 35 S -0.000045 0.000169 0.000127 0.000062 0.000039 392 F 35 S -0.000015 -0.000055 -0.000043 0.000196 0.000293 393 F 35 S 0.000101 0.000312 0.000260 -0.000482 -0.000181 394 F 35 X 0.000002 0.000001 0.000003 0.000095 0.000258 395 F 35 Y 0.000007 0.000021 -0.000016 0.000008 0.000036 396 F 35 Z -0.000001 -0.000002 -0.000005 -0.000066 -0.000144 397 F 35 X 0.000079 0.000033 0.000004 -0.000334 -0.000317 398 F 35 Y -0.000088 -0.000077 0.000058 -0.000139 -0.000023 399 F 35 Z -0.000026 0.000009 0.000016 0.000214 0.000517 400 F 35 XX 0.000003 -0.000007 -0.000010 -0.000049 -0.000106 401 F 35 YY -0.000008 0.000003 0.000001 0.000030 0.000063 402 F 35 ZZ 0.000005 0.000004 0.000009 0.000019 0.000043 403 F 35 XY -0.000002 -0.000015 0.000012 0.000006 -0.000031 404 F 35 XZ -0.000001 0.000003 0.000003 0.000046 0.000105 405 F 35 YZ -0.000002 -0.000013 0.000014 0.000019 0.000001 406 F 36 S 0.000334 -0.000034 -0.000021 -0.000014 -0.000014 407 F 36 S -0.000023 -0.000001 -0.000004 0.000045 0.000179 408 F 36 S 0.000234 -0.000105 -0.000104 -0.000150 0.000360 409 F 36 X 0.000020 -0.000015 -0.000018 -0.000037 -0.000045 410 F 36 Y -0.000020 -0.000038 0.000037 -0.000048 -0.000008 411 F 36 Z -0.000003 -0.000015 -0.000008 0.000091 0.000303 412 F 36 X -0.000056 0.000036 0.000050 0.000192 0.000388 413 F 36 Y 0.000071 0.000153 -0.000160 0.000120 0.000014 414 F 36 Z 0.000045 0.000077 0.000039 -0.000286 -0.000411 415 F 36 XX 0.000012 -0.000004 -0.000003 0.000027 0.000092 416 F 36 YY -0.000007 -0.000003 -0.000004 0.000052 0.000070 417 F 36 ZZ -0.000005 0.000007 0.000007 -0.000079 -0.000162 418 F 36 XY 0.000022 0.000006 -0.000004 0.000025 -0.000016 419 F 36 XZ -0.000001 -0.000005 -0.000005 0.000027 0.000025 420 F 36 YZ 0.000005 -0.000003 -0.000001 0.000041 0.000012 421 C 37 S 0.000005 0.000018 0.000019 -0.000011 0.000034 422 C 37 S 0.000009 0.000032 0.000034 -0.000019 0.000056 423 C 37 S -0.000275 -0.000153 0.000070 -0.000482 -0.000430 424 C 37 X 0.000003 0.000002 -0.000004 0.000003 -0.000004 425 C 37 Y 0.000000 0.000005 0.000006 -0.000004 0.000027 426 C 37 Z 0.000004 0.000010 -0.000001 0.000008 0.000005 427 C 37 X 0.000177 0.000060 0.000030 0.000238 0.000389 428 C 37 Y 0.000040 0.000199 0.000173 -0.000238 -0.000091 429 C 37 Z 0.000039 0.000033 0.000012 0.000052 0.000029 430 C 37 XX -0.000004 -0.000002 -0.000014 0.000009 -0.000019 431 C 37 YY 0.000003 -0.000006 -0.000000 0.000006 -0.000006 432 C 37 ZZ 0.000001 0.000009 0.000014 -0.000015 0.000025 433 C 37 XY -0.000003 -0.000010 -0.000012 0.000011 -0.000011 434 C 37 XZ -0.000006 -0.000003 0.000002 -0.000012 -0.000010 435 C 37 YZ -0.000005 -0.000007 0.000000 -0.000015 -0.000002 436 S 38 S 0.000004 0.000002 0.000001 -0.000007 0.000007 437 S 38 S 0.000025 0.000013 0.000011 -0.000051 0.000051 438 S 38 S 0.000026 0.000015 0.000015 -0.000067 0.000060 439 S 38 S -0.000153 -0.000263 -0.000089 0.000790 -0.000689 440 S 38 X 0.000004 0.000000 -0.000002 0.000006 0.000010 441 S 38 Y 0.000002 0.000010 0.000002 -0.000020 0.000016 442 S 38 Z -0.000002 0.000007 0.000001 -0.000004 -0.000003 443 S 38 X 0.000013 -0.000004 -0.000009 0.000029 0.000027 444 S 38 Y 0.000007 0.000031 0.000004 -0.000054 0.000046 445 S 38 Z -0.000007 0.000025 0.000006 -0.000015 -0.000011 446 S 38 X -0.000013 -0.000016 -0.000072 -0.000015 -0.000177 447 S 38 Y 0.000056 0.000109 0.000007 -0.000357 0.000227 448 S 38 Z -0.000043 -0.000075 0.000030 -0.000048 -0.000004 449 S 38 XX -0.000010 0.000026 0.000006 -0.000053 0.000004 450 S 38 YY -0.000002 -0.000025 -0.000002 0.000044 -0.000005 451 S 38 ZZ 0.000013 -0.000001 -0.000003 0.000010 0.000002 452 S 38 XY -0.000019 0.000007 0.000020 -0.000032 0.000021 453 S 38 XZ -0.000003 -0.000003 0.000002 0.000006 -0.000005 454 S 38 YZ 0.000023 0.000012 -0.000017 0.000028 0.000015 455 S 38 XX 0.000001 -0.000004 -0.000001 0.000006 -0.000000 456 S 38 YY 0.000000 0.000003 0.000000 -0.000004 0.000000 457 S 38 ZZ -0.000002 0.000001 0.000000 -0.000001 0.000000 458 S 38 XY 0.000002 -0.000001 -0.000002 0.000003 -0.000003 459 S 38 XZ 0.000001 0.000000 -0.000000 -0.000001 0.000001 460 S 38 YZ -0.000003 -0.000002 0.000002 -0.000003 -0.000002 461 H 39 S -0.000001 0.000011 0.000008 -0.000024 -0.000023 462 H 39 S -0.000049 0.000005 -0.000018 -0.000066 -0.000116 463 H 39 X -0.000003 -0.000003 -0.000003 -0.000001 -0.000011 464 H 39 Y -0.000003 -0.000010 -0.000007 0.000009 0.000001 465 H 39 Z -0.000003 -0.000000 -0.000001 -0.000003 -0.000004 11 12 13 14 15 -11.4411 -11.3057 -11.3031 -11.2989 -11.2878 A A A A A 1 C 1 S -0.000044 -0.000376 -0.000009 -0.000034 0.000370 2 C 1 S -0.000074 -0.000147 0.000009 -0.000035 -0.000029 3 C 1 S 0.000291 0.000689 -0.000109 0.000313 0.000555 4 C 1 X 0.000003 0.000040 -0.000016 -0.000011 -0.000014 5 C 1 Y 0.000000 -0.000079 -0.000014 -0.000005 0.000007 6 C 1 Z 0.000004 -0.000035 0.000002 -0.000004 -0.000018 7 C 1 X -0.000590 -0.001812 -0.000094 -0.000010 -0.000371 8 C 1 Y 0.000174 0.000387 0.000219 0.000211 0.000078 9 C 1 Z 0.000007 0.000352 -0.000015 0.000027 0.000101 10 C 1 XX 0.000043 -0.000001 0.000007 0.000002 0.000014 11 C 1 YY -0.000004 0.000043 -0.000001 0.000007 -0.000008 12 C 1 ZZ -0.000039 -0.000042 -0.000006 -0.000009 -0.000007 13 C 1 XY -0.000014 -0.000035 -0.000009 0.000007 -0.000000 14 C 1 XZ -0.000000 -0.000019 -0.000003 -0.000002 -0.000005 15 C 1 YZ 0.000001 0.000063 0.000006 0.000001 0.000014 16 C 2 S -0.000054 -0.000153 0.000019 -0.000003 0.000010 17 C 2 S -0.000083 -0.000212 0.000027 -0.000002 -0.000009 18 C 2 S 0.001739 -0.000320 -0.001352 -0.000261 -0.000772 19 C 2 X -0.000009 -0.000027 0.000013 0.000008 0.000017 20 C 2 Y 0.000017 -0.000099 -0.000032 -0.000006 -0.000020 21 C 2 Z 0.000008 -0.000010 -0.000002 -0.000002 -0.000024 22 C 2 X -0.000328 -0.002152 0.000337 -0.000207 -0.000414 23 C 2 Y 0.001225 0.000603 -0.000540 -0.000189 -0.000094 24 C 2 Z 0.000190 0.000042 -0.000005 -0.000005 0.000034 25 C 2 XX -0.000052 0.000074 -0.000015 0.000002 -0.000015 26 C 2 YY 0.000045 0.000014 0.000009 -0.000003 0.000013 27 C 2 ZZ 0.000008 -0.000088 0.000006 0.000001 0.000002 28 C 2 XY 0.000045 -0.000029 0.000018 -0.000000 0.000036 29 C 2 XZ 0.000003 0.000023 0.000013 0.000004 0.000026 30 C 2 YZ 0.000019 0.000047 -0.000002 0.000000 -0.000017 31 C 3 S -0.000146 0.013134 -0.000056 -0.000043 -0.001896 32 C 3 S -0.000207 0.000039 0.000085 -0.000055 -0.000208 33 C 3 S 0.004296 0.003069 -0.000179 0.000480 -0.000109 34 C 3 X 0.000032 0.000132 0.000019 0.000007 -0.000007 35 C 3 Y -0.000040 0.000104 0.000041 0.000001 -0.000065 36 C 3 Z 0.000014 0.000045 -0.000002 -0.000000 -0.000002 37 C 3 X -0.002871 0.005305 -0.001131 0.000379 0.000227 38 C 3 Y 0.004098 0.003192 -0.002298 -0.000075 -0.000748 39 C 3 Z -0.000274 0.000600 -0.000279 0.000013 -0.000013 40 C 3 XX 0.000035 -0.000086 0.000022 -0.000000 -0.000056 41 C 3 YY 0.000011 0.000068 -0.000024 0.000019 0.000087 42 C 3 ZZ -0.000046 0.000018 0.000002 -0.000019 -0.000032 43 C 3 XY -0.000092 -0.000044 -0.000041 0.000023 0.000051 44 C 3 XZ -0.000001 -0.000023 -0.000019 0.000003 0.000007 45 C 3 YZ -0.000014 0.000009 -0.000041 -0.000004 -0.000124 46 C 4 S -0.000053 1.002917 -0.001213 -0.000092 -0.016260 47 C 4 S -0.000107 0.005979 -0.000310 0.000006 -0.000140 48 C 4 S -0.000482 -0.018886 0.001596 0.000079 0.003782 49 C 4 X 0.000051 0.000105 0.000033 -0.000029 -0.000039 50 C 4 Y 0.000005 -0.000245 -0.000108 0.000007 0.000210 51 C 4 Z -0.000002 -0.000200 -0.000070 -0.000006 -0.000140 52 C 4 X 0.000068 0.002312 -0.001815 0.000381 -0.000134 53 C 4 Y -0.000710 0.001862 0.000196 0.000415 0.001734 54 C 4 Z 0.000352 0.001183 -0.000314 0.000121 -0.000681 55 C 4 XX 0.000022 -0.000182 0.000078 -0.000019 0.000045 56 C 4 YY 0.000014 -0.000021 0.000005 0.000035 -0.000055 57 C 4 ZZ -0.000037 0.000203 -0.000083 -0.000016 0.000010 58 C 4 XY 0.000025 -0.000000 -0.000045 -0.000009 0.000026 59 C 4 XZ -0.000012 0.000021 0.000011 -0.000002 -0.000022 60 C 4 YZ 0.000020 -0.000054 -0.000070 -0.000004 0.000124 61 S 5 S -0.000008 -0.000042 -0.000012 0.000005 0.000002 62 S 5 S -0.000061 -0.000240 -0.000082 0.000033 0.000009 63 S 5 S -0.000071 -0.000233 -0.000093 0.000033 -0.000009 64 S 5 S 0.000169 0.002841 0.000562 -0.000244 -0.000170 65 S 5 X 0.000004 -0.000129 -0.000004 0.000001 0.000018 66 S 5 Y 0.000000 0.000100 0.000007 -0.000010 -0.000016 67 S 5 Z -0.000003 0.000041 0.000000 -0.000002 0.000001 68 S 5 X 0.000008 -0.000425 -0.000014 0.000004 0.000065 69 S 5 Y -0.000000 0.000329 0.000024 -0.000033 -0.000059 70 S 5 Z -0.000011 0.000131 0.000000 -0.000006 0.000001 71 S 5 X -0.000040 -0.001191 -0.000211 0.000096 0.000067 72 S 5 Y -0.000068 0.000150 0.000246 0.000100 -0.000215 73 S 5 Z -0.000035 0.000151 0.000171 -0.000005 0.000032 74 S 5 XX 0.000005 0.000050 -0.000005 0.000006 -0.000026 75 S 5 YY 0.000025 0.000065 0.000033 -0.000017 -0.000003 76 S 5 ZZ -0.000030 -0.000115 -0.000028 0.000011 0.000029 77 S 5 XY -0.000010 -0.000136 -0.000036 -0.000009 0.000046 78 S 5 XZ 0.000018 -0.000027 -0.000026 -0.000002 -0.000021 79 S 5 YZ -0.000007 0.000021 0.000031 -0.000005 -0.000039 80 S 5 XX -0.000001 0.000015 0.000000 -0.000000 0.000003 81 S 5 YY -0.000003 -0.000011 -0.000004 0.000001 -0.000001 82 S 5 ZZ 0.000004 -0.000004 0.000004 -0.000001 -0.000002 83 S 5 XY 0.000001 -0.000020 0.000004 0.000001 -0.000002 84 S 5 XZ -0.000002 -0.000012 0.000003 0.000001 0.000004 85 S 5 YZ 0.000001 0.000008 -0.000004 0.000000 0.000006 86 H 6 S -0.000046 -0.000121 0.000032 -0.000025 -0.000034 87 H 6 S 0.000195 -0.000321 0.000008 -0.000092 -0.000099 88 H 6 X 0.000034 0.000049 -0.000012 0.000003 0.000005 89 H 6 Y -0.000046 -0.000033 0.000007 0.000001 -0.000015 90 H 6 Z -0.000012 0.000014 -0.000000 0.000000 -0.000005 91 C 7 S -0.000052 0.000575 1.001539 0.001415 -0.019769 92 C 7 S -0.000087 -0.000274 0.004798 -0.000070 -0.000129 93 C 7 S -0.001043 0.000614 -0.013172 0.000909 0.004995 94 C 7 X -0.000001 -0.000008 -0.000092 -0.000030 0.000203 95 C 7 Y 0.000038 0.000049 0.000032 -0.000014 -0.000130 96 C 7 Z 0.000045 0.000006 -0.000031 -0.000028 -0.000053 97 C 7 X 0.000165 0.000351 0.001648 0.000468 0.004911 98 C 7 Y -0.000283 -0.000107 0.002012 -0.001439 -0.002245 99 C 7 Z -0.000391 -0.000090 -0.000100 0.000085 -0.000948 100 C 7 XX 0.000020 -0.000010 0.000211 0.000093 -0.000074 101 C 7 YY 0.000026 0.000067 -0.000005 -0.000023 0.000058 102 C 7 ZZ -0.000046 -0.000058 -0.000206 -0.000070 0.000016 103 C 7 XY 0.000051 -0.000091 0.000286 0.000050 0.000029 104 C 7 XZ -0.000007 -0.000002 -0.000098 0.000006 0.000032 105 C 7 YZ -0.000001 -0.000112 -0.000035 0.000003 -0.000023 106 C 8 S -0.000010 0.000091 -0.001470 1.001763 -0.000228 107 C 8 S -0.000018 -0.000007 -0.000022 0.003974 -0.000136 108 C 8 S 0.000000 -0.000013 -0.000087 -0.010995 -0.001343 109 C 8 X 0.000008 0.000004 0.000038 -0.000431 -0.000032 110 C 8 Y 0.000010 -0.000011 0.000006 0.000162 0.000122 111 C 8 Z 0.000000 0.000031 -0.000026 -0.000029 0.000032 112 C 8 X 0.000023 -0.000101 0.000255 0.000055 0.000309 113 C 8 Y -0.000277 -0.000043 -0.000594 0.001262 0.000654 114 C 8 Z -0.000023 -0.000102 0.000026 0.000215 -0.000112 115 C 8 XX -0.000003 -0.000009 -0.000005 -0.000300 0.000059 116 C 8 YY 0.000009 0.000013 0.000031 0.000548 -0.000026 117 C 8 ZZ -0.000006 -0.000004 -0.000026 -0.000248 -0.000033 118 C 8 XY -0.000009 0.000002 0.000058 0.000100 0.000040 119 C 8 XZ 0.000000 0.000023 0.000002 -0.000001 0.000034 120 C 8 YZ -0.000000 -0.000010 0.000010 0.000124 0.000052 121 C 9 S -0.000040 0.016109 0.020038 -0.000060 1.002915 122 C 9 S -0.000070 0.000059 0.000491 0.000036 0.006513 123 C 9 S 0.000352 0.002654 -0.000814 -0.001196 -0.021211 124 C 9 X 0.000021 -0.000018 -0.000214 -0.000029 -0.000171 125 C 9 Y 0.000011 -0.000171 0.000146 -0.000010 0.000144 126 C 9 Z -0.000019 0.000132 0.000058 0.000039 0.000203 127 C 9 X -0.000084 0.000586 -0.000211 0.000759 0.002099 128 C 9 Y -0.000461 -0.001671 -0.000103 -0.000056 -0.002244 129 C 9 Z 0.000383 0.000700 0.000868 -0.000478 -0.002039 130 C 9 XX -0.000010 0.000020 0.000036 -0.000057 -0.000143 131 C 9 YY 0.000013 -0.000049 -0.000078 0.000121 0.000010 132 C 9 ZZ -0.000004 0.000029 0.000042 -0.000063 0.000133 133 C 9 XY -0.000024 0.000048 0.000152 0.000036 0.000143 134 C 9 XZ 0.000001 -0.000013 0.000005 0.000022 0.000052 135 C 9 YZ -0.000022 0.000092 -0.000042 0.000015 -0.000026 136 C 10 S 0.000060 -0.000319 0.036765 0.000152 -0.006617 137 C 10 S 0.000058 -0.000238 -0.000095 0.000023 -0.000095 138 C 10 S -0.000953 0.001949 0.001837 -0.001065 -0.000969 139 C 10 X -0.000069 -0.000057 -0.000137 -0.000003 -0.000056 140 C 10 Y 0.000006 0.000024 -0.000080 -0.000029 -0.000031 141 C 10 Z -0.000022 -0.000042 0.000045 0.000022 0.000005 142 C 10 X 0.002504 0.000508 0.003748 -0.000885 -0.000256 143 C 10 Y 0.000911 -0.001286 0.003708 0.000640 0.003225 144 C 10 Z 0.000138 0.000071 -0.000743 -0.000002 0.000046 145 C 10 XX -0.000013 -0.000005 0.000008 -0.000024 0.000042 146 C 10 YY 0.000046 0.000069 -0.000247 -0.000005 -0.000002 147 C 10 ZZ -0.000033 -0.000064 0.000239 0.000029 -0.000040 148 C 10 XY -0.000170 0.000034 -0.000050 -0.000012 0.000021 149 C 10 XZ -0.000002 0.000007 0.000012 0.000010 -0.000054 150 C 10 YZ -0.000051 -0.000027 -0.000003 0.000005 0.000002 151 C 11 S 0.001846 0.000043 0.000361 -0.000039 -0.000999 152 C 11 S -0.000270 -0.000173 -0.000140 -0.000058 -0.000281 153 C 11 S 0.003938 0.000711 0.002205 0.000855 0.002952 154 C 11 X -0.000120 -0.000051 0.000010 0.000002 -0.000038 155 C 11 Y -0.000066 0.000014 0.000021 0.000006 -0.000040 156 C 11 Z -0.000021 -0.000010 0.000019 -0.000005 0.000042 157 C 11 X -0.010354 0.000801 -0.000351 0.000231 0.000718 158 C 11 Y -0.000615 -0.002936 0.002709 0.000534 0.002092 159 C 11 Z -0.000271 0.000025 0.000100 0.000072 -0.000097 160 C 11 XX 0.000138 0.000041 -0.000002 -0.000011 -0.000010 161 C 11 YY -0.000079 0.000039 0.000121 0.000032 0.000101 162 C 11 ZZ -0.000058 -0.000080 -0.000119 -0.000021 -0.000091 163 C 11 XY 0.000168 -0.000041 0.000018 -0.000005 -0.000066 164 C 11 XZ -0.000018 0.000049 -0.000024 -0.000002 0.000004 165 C 11 YZ 0.000030 0.000017 0.000011 0.000008 -0.000020 166 C 12 S 0.018490 -0.000064 -0.000162 0.000010 -0.000036 167 C 12 S -0.000076 -0.000118 -0.000218 0.000016 -0.000082 168 C 12 S 0.000146 0.000522 0.002041 -0.000544 -0.000202 169 C 12 X 0.000134 -0.000012 -0.000028 -0.000028 -0.000058 170 C 12 Y 0.000121 0.000001 -0.000030 -0.000016 -0.000030 171 C 12 Z 0.000044 0.000015 0.000001 0.000002 0.000002 172 C 12 X 0.000407 0.000352 0.000378 -0.000020 -0.000039 173 C 12 Y 0.000191 0.000198 -0.000763 0.000260 -0.000103 174 C 12 Z 0.000475 -0.000120 -0.000151 0.000011 0.000067 175 C 12 XX -0.000082 0.000016 -0.000019 0.000004 -0.000028 176 C 12 YY 0.000073 0.000013 0.000049 0.000005 0.000018 177 C 12 ZZ 0.000009 -0.000029 -0.000030 -0.000009 0.000010 178 C 12 XY -0.000077 -0.000011 -0.000056 -0.000042 -0.000079 179 C 12 XZ -0.000031 0.000002 0.000010 0.000011 -0.000022 180 C 12 YZ -0.000049 -0.000018 -0.000033 -0.000020 -0.000017 181 C 13 S -0.143720 -0.000038 0.000037 -0.000012 -0.000017 182 C 13 S -0.000996 -0.000073 0.000079 -0.000017 -0.000027 183 C 13 S 0.007439 0.000314 -0.000671 0.000341 0.000308 184 C 13 X 0.000290 -0.000005 0.000014 0.000009 0.000010 185 C 13 Y -0.000378 -0.000006 -0.000001 0.000014 0.000016 186 C 13 Z 0.000188 -0.000007 -0.000006 0.000002 0.000007 187 C 13 X 0.002145 0.000100 -0.000225 0.000000 0.000020 188 C 13 Y -0.001493 0.000010 -0.000141 0.000036 -0.000051 189 C 13 Z 0.000796 0.000104 -0.000113 0.000175 -0.000024 190 C 13 XX -0.000049 0.000016 0.000046 -0.000003 0.000011 191 C 13 YY 0.000042 -0.000009 -0.000012 0.000008 0.000009 192 C 13 ZZ 0.000007 -0.000007 -0.000034 -0.000005 -0.000020 193 C 13 XY -0.000108 -0.000009 0.000026 0.000009 0.000013 194 C 13 XZ 0.000027 -0.000000 -0.000011 0.000000 -0.000006 195 C 13 YZ -0.000062 -0.000002 -0.000007 0.000010 0.000016 196 C 14 S 0.992219 -0.000061 -0.000087 -0.000014 -0.000054 197 C 14 S 0.004849 -0.000102 -0.000146 -0.000027 -0.000100 198 C 14 S -0.019588 -0.000112 0.000847 0.000136 0.000722 199 C 14 X -0.000547 -0.000050 -0.000027 -0.000008 -0.000009 200 C 14 Y -0.001058 -0.000001 -0.000005 -0.000000 -0.000003 201 C 14 Z 0.000210 0.000008 -0.000006 0.000003 -0.000005 202 C 14 X -0.002805 -0.000016 0.000280 0.000181 0.000472 203 C 14 Y -0.005080 0.000147 0.000031 -0.000120 -0.000136 204 C 14 Z 0.000586 -0.000057 0.000053 -0.000049 0.000204 205 C 14 XX -0.000284 -0.000040 -0.000004 0.000002 0.000023 206 C 14 YY 0.000007 0.000037 0.000015 -0.000000 -0.000014 207 C 14 ZZ 0.000277 0.000003 -0.000010 -0.000002 -0.000010 208 C 14 XY -0.000024 0.000045 -0.000018 0.000001 -0.000001 209 C 14 XZ -0.000074 0.000018 -0.000007 -0.000000 -0.000011 210 C 14 YZ 0.000101 0.000035 -0.000009 0.000004 -0.000005 211 F 15 S 0.000049 -0.000002 0.000005 0.000000 0.000017 212 F 15 S 0.000096 -0.000003 0.000010 0.000001 0.000032 213 F 15 S -0.000314 0.000015 -0.000064 0.000021 -0.000099 214 F 15 X -0.000011 0.000005 0.000002 0.000001 0.000005 215 F 15 Y 0.000022 0.000006 -0.000002 0.000007 0.000005 216 F 15 Z -0.000014 -0.000004 -0.000004 -0.000003 -0.000001 217 F 15 X 0.000024 -0.000031 -0.000005 -0.000008 -0.000043 218 F 15 Y -0.000025 -0.000030 0.000023 -0.000040 -0.000019 219 F 15 Z 0.000101 0.000009 0.000038 -0.000008 0.000031 220 F 15 XX 0.000007 -0.000001 -0.000000 -0.000002 -0.000002 221 F 15 YY -0.000002 -0.000001 -0.000001 -0.000000 0.000003 222 F 15 ZZ -0.000004 0.000002 0.000001 0.000003 -0.000001 223 F 15 XY -0.000011 -0.000001 -0.000009 -0.000002 -0.000004 224 F 15 XZ -0.000005 0.000001 -0.000002 0.000001 0.000003 225 F 15 YZ -0.000013 0.000002 -0.000002 0.000003 0.000002 226 F 16 S -0.000037 0.000016 0.000023 0.000009 0.000010 227 F 16 S -0.000065 0.000028 0.000038 0.000016 0.000018 228 F 16 S 0.000176 -0.000137 -0.000154 -0.000082 -0.000066 229 F 16 X 0.000002 -0.000004 0.000002 -0.000008 -0.000002 230 F 16 Y 0.000008 0.000001 -0.000000 -0.000005 -0.000003 231 F 16 Z 0.000017 -0.000001 -0.000006 0.000001 -0.000002 232 F 16 X -0.000018 -0.000008 -0.000105 0.000005 -0.000037 233 F 16 Y -0.000064 0.000033 0.000114 0.000040 0.000051 234 F 16 Z -0.000117 -0.000020 -0.000002 -0.000023 -0.000015 235 F 16 XX 0.000015 0.000005 -0.000001 0.000003 0.000002 236 F 16 YY -0.000007 -0.000003 -0.000005 -0.000002 -0.000003 237 F 16 ZZ -0.000009 -0.000002 0.000007 -0.000001 0.000001 238 F 16 XY 0.000001 0.000001 0.000008 0.000004 0.000007 239 F 16 XZ -0.000008 -0.000002 -0.000004 -0.000000 -0.000001 240 F 16 YZ 0.000014 0.000001 0.000008 0.000003 0.000005 241 F 17 S -0.000015 0.000016 0.000000 0.000004 -0.000004 242 F 17 S 0.000192 0.000030 -0.000000 0.000006 -0.000008 243 F 17 S 0.000349 -0.000095 -0.000031 -0.000045 0.000005 244 F 17 X -0.000003 0.000005 -0.000007 -0.000000 -0.000001 245 F 17 Y 0.000195 0.000004 -0.000000 -0.000003 -0.000004 246 F 17 Z 0.000240 -0.000005 0.000002 0.000001 0.000007 247 F 17 X 0.000185 -0.000048 0.000029 -0.000007 -0.000002 248 F 17 Y 0.000081 -0.000067 -0.000009 0.000005 0.000028 249 F 17 Z -0.000496 -0.000011 -0.000024 -0.000016 -0.000041 250 F 17 XX 0.000063 0.000002 0.000005 0.000001 0.000004 251 F 17 YY -0.000026 -0.000004 -0.000000 0.000000 0.000002 252 F 17 ZZ -0.000037 0.000001 -0.000004 -0.000002 -0.000005 253 F 17 XY -0.000010 -0.000003 0.000001 -0.000001 0.000000 254 F 17 XZ -0.000016 -0.000002 0.000000 -0.000001 -0.000001 255 F 17 YZ -0.000147 -0.000007 0.000001 0.000000 0.000002 256 F 18 S -0.000039 0.000002 0.000017 0.000001 0.000021 257 F 18 S 0.000140 0.000003 0.000030 0.000002 0.000038 258 F 18 S 0.000600 -0.000000 -0.000124 0.000001 -0.000153 259 F 18 X 0.000064 0.000004 0.000001 0.000001 0.000001 260 F 18 Y 0.000058 0.000002 0.000001 -0.000001 -0.000002 261 F 18 Z -0.000303 -0.000002 0.000000 -0.000002 -0.000001 262 F 18 X 0.000061 -0.000035 -0.000022 -0.000008 -0.000030 263 F 18 Y 0.000309 -0.000013 -0.000023 0.000010 -0.000002 264 F 18 Z 0.000385 0.000001 0.000034 0.000009 0.000039 265 F 18 XX 0.000051 -0.000006 0.000003 0.000000 0.000003 266 F 18 YY 0.000082 0.000002 -0.000002 -0.000000 -0.000002 267 F 18 ZZ -0.000132 0.000004 -0.000001 -0.000000 -0.000001 268 F 18 XY -0.000020 -0.000001 -0.000002 0.000000 0.000000 269 F 18 XZ 0.000063 0.000003 0.000001 0.000001 0.000002 270 F 18 YZ 0.000067 0.000000 -0.000001 -0.000001 -0.000001 271 C 19 S -0.000013 -0.000005 -0.000035 0.009208 -0.000041 272 C 19 S -0.000022 -0.000003 -0.000071 -0.000112 -0.000117 273 C 19 S 0.000191 0.000052 0.000362 0.001063 0.000059 274 C 19 X -0.000002 0.000004 0.000016 0.000055 0.000010 275 C 19 Y -0.000004 0.000000 0.000005 0.000091 0.000028 276 C 19 Z -0.000001 -0.000005 0.000006 0.000015 -0.000004 277 C 19 X -0.000082 -0.000045 -0.000331 -0.000050 -0.000112 278 C 19 Y -0.000067 -0.000011 -0.000045 -0.000928 -0.000202 279 C 19 Z -0.000009 0.000096 -0.000096 -0.000155 0.000089 280 C 19 XX 0.000003 -0.000002 0.000027 -0.000146 0.000011 281 C 19 YY 0.000002 -0.000001 -0.000026 -0.000055 0.000006 282 C 19 ZZ -0.000005 0.000004 -0.000001 0.000200 -0.000017 283 C 19 XY 0.000007 -0.000001 0.000014 -0.000284 0.000020 284 C 19 XZ 0.000002 -0.000010 0.000010 -0.000043 0.000003 285 C 19 YZ 0.000001 0.000005 -0.000006 -0.000045 0.000018 286 H 20 S -0.000007 0.000008 0.000004 -0.000051 -0.000029 287 H 20 S 0.000024 0.000011 0.000140 -0.000238 0.000140 288 H 20 X 0.000001 -0.000001 0.000002 -0.000036 -0.000017 289 H 20 Y 0.000001 0.000003 0.000002 0.000052 -0.000013 290 H 20 Z 0.000000 -0.000008 0.000008 0.000009 -0.000015 291 H 21 S -0.000008 0.000016 -0.000053 -0.000127 0.000008 292 H 21 S 0.000008 0.000027 -0.000036 0.000443 0.000057 293 H 21 X 0.000000 0.000006 0.000010 -0.000060 0.000019 294 H 21 Y -0.000002 -0.000005 -0.000004 -0.000071 0.000015 295 H 21 Z 0.000000 -0.000002 -0.000004 0.000018 0.000019 296 C 22 S -0.000030 -0.000079 -0.000009 -0.000004 0.000005 297 C 22 S -0.000052 -0.000154 -0.000015 -0.000005 0.000010 298 C 22 S 0.000297 0.000911 0.000190 0.000054 0.000007 299 C 22 X 0.000004 -0.000003 -0.000009 0.000001 0.000002 300 C 22 Y -0.000005 -0.000017 0.000001 -0.000003 -0.000001 301 C 22 Z -0.000001 0.000008 0.000002 0.000001 0.000005 302 C 22 X -0.000008 0.000102 0.000041 -0.000021 0.000034 303 C 22 Y 0.000207 0.000694 0.000105 0.000027 0.000017 304 C 22 Z 0.000015 -0.000088 0.000013 -0.000010 -0.000072 305 C 22 XX -0.000004 -0.000035 -0.000005 0.000003 -0.000004 306 C 22 YY 0.000014 0.000054 0.000000 -0.000005 0.000006 307 C 22 ZZ -0.000011 -0.000019 0.000005 0.000002 -0.000002 308 C 22 XY 0.000001 0.000021 -0.000001 -0.000003 0.000010 309 C 22 XZ -0.000001 -0.000012 -0.000003 -0.000001 -0.000008 310 C 22 YZ 0.000003 0.000006 0.000002 -0.000001 0.000001 311 H 23 S -0.000013 -0.000021 0.000012 0.000002 -0.000004 312 H 23 S 0.000099 0.000271 0.000010 0.000013 0.000029 313 H 23 X -0.000003 0.000002 0.000005 0.000001 -0.000002 314 H 23 Y 0.000005 -0.000009 -0.000005 0.000003 -0.000001 315 H 23 Z 0.000000 0.000013 -0.000000 0.000001 0.000008 316 H 24 S -0.000010 -0.000027 -0.000015 -0.000000 0.000028 317 H 24 S 0.000005 0.000015 -0.000020 0.000009 0.000006 318 H 24 X -0.000004 -0.000023 -0.000005 0.000000 -0.000007 319 H 24 Y 0.000000 -0.000019 -0.000003 -0.000002 0.000000 320 H 24 Z -0.000002 -0.000001 0.000006 0.000000 0.000000 321 H 25 S -0.000009 -0.000086 -0.000025 -0.000006 -0.000010 322 H 25 S -0.000008 -0.000014 0.000015 0.000004 -0.000026 323 H 25 X -0.000002 -0.000016 -0.000006 0.000002 0.000001 324 H 25 Y -0.000003 0.000002 0.000001 -0.000001 0.000006 325 H 25 Z 0.000000 0.000000 -0.000004 -0.000000 -0.000000 326 C 26 S 0.000013 -0.000170 -0.000265 -0.000017 0.006104 327 C 26 S 0.000023 -0.000260 -0.000512 -0.000005 0.000129 328 C 26 S 0.000037 0.000500 0.001776 -0.000362 0.002477 329 C 26 X -0.000005 -0.000028 0.000120 -0.000005 -0.000006 330 C 26 Y 0.000004 0.000060 -0.000057 -0.000028 0.000049 331 C 26 Z 0.000006 -0.000097 -0.000038 -0.000012 0.000273 332 C 26 X 0.000133 0.000127 -0.001150 0.000075 -0.000153 333 C 26 Y 0.000038 -0.000303 0.000682 -0.000004 0.000255 334 C 26 Z -0.000020 0.000156 0.001078 0.000244 0.000740 335 C 26 XX -0.000002 -0.000097 0.000021 -0.000019 0.000117 336 C 26 YY 0.000002 0.000112 -0.000059 -0.000042 0.000084 337 C 26 ZZ 0.000001 -0.000015 0.000038 0.000061 -0.000201 338 C 26 XY 0.000007 -0.000038 -0.000086 -0.000029 0.000007 339 C 26 XZ 0.000015 -0.000004 -0.000139 -0.000017 -0.000042 340 C 26 YZ 0.000022 -0.000134 0.000106 0.000010 -0.000041 341 H 27 S 0.000020 -0.000060 -0.000225 0.000085 -0.000162 342 H 27 S 0.000074 -0.000187 -0.000192 0.000087 -0.000192 343 H 27 X -0.000022 -0.000014 0.000102 0.000033 -0.000019 344 H 27 Y 0.000004 0.000060 -0.000077 0.000021 -0.000022 345 H 27 Z 0.000016 -0.000071 -0.000053 -0.000006 0.000058 346 H 28 S 0.000030 -0.000064 -0.000264 -0.000050 -0.000121 347 H 28 S -0.000025 0.000282 -0.000075 0.000385 -0.000217 348 H 28 X -0.000005 -0.000022 0.000089 0.000008 0.000009 349 H 28 Y -0.000001 0.000056 -0.000044 -0.000054 0.000050 350 H 28 Z 0.000012 0.000016 -0.000016 0.000017 0.000091 351 H 29 S -0.000008 -0.000084 0.000028 0.000001 -0.000212 352 H 29 S -0.000076 -0.000300 0.000705 0.000026 -0.000065 353 H 29 X 0.000001 0.000004 0.000018 -0.000011 0.000037 354 H 29 Y -0.000005 0.000045 -0.000016 -0.000003 -0.000019 355 H 29 Z 0.000002 -0.000080 -0.000019 -0.000023 0.000017 356 C 30 S -0.000008 0.004646 -0.000149 0.000025 -0.000414 357 C 30 S -0.000015 -0.000002 -0.000158 0.000049 -0.000288 358 C 30 S -0.000084 0.002826 -0.000132 -0.000379 0.000397 359 C 30 X 0.000013 -0.000033 0.000042 -0.000004 0.000003 360 C 30 Y 0.000007 -0.000038 -0.000046 -0.000006 -0.000058 361 C 30 Z 0.000005 -0.000237 0.000084 0.000004 0.000116 362 C 30 X -0.000103 -0.000233 0.000308 -0.000109 0.000013 363 C 30 Y 0.000098 -0.000374 0.000164 0.000020 0.000311 364 C 30 Z 0.000018 -0.000929 -0.000500 0.000011 -0.000100 365 C 30 XX -0.000012 0.000113 0.000006 0.000004 -0.000116 366 C 30 YY -0.000004 0.000069 -0.000060 -0.000007 0.000127 367 C 30 ZZ 0.000016 -0.000181 0.000054 0.000003 -0.000011 368 C 30 XY -0.000018 -0.000047 -0.000006 0.000002 -0.000019 369 C 30 XZ -0.000020 0.000039 -0.000059 0.000013 0.000017 370 C 30 YZ -0.000014 -0.000047 0.000079 0.000029 -0.000155 371 H 31 S -0.000000 -0.000161 0.000147 0.000064 -0.000093 372 H 31 S 0.000058 -0.000216 0.000200 0.000055 0.000277 373 H 31 X 0.000000 0.000000 -0.000008 0.000006 -0.000001 374 H 31 Y -0.000005 -0.000047 0.000057 0.000019 -0.000069 375 H 31 Z 0.000001 -0.000080 -0.000012 -0.000014 -0.000003 376 H 32 S -0.000003 -0.000177 -0.000137 -0.000013 -0.000059 377 H 32 S -0.000104 -0.000170 0.000708 0.000007 -0.000226 378 H 32 X -0.000017 -0.000025 0.000022 0.000004 0.000004 379 H 32 Y -0.000002 0.000018 0.000014 -0.000018 -0.000057 380 H 32 Z -0.000005 -0.000052 -0.000060 0.000013 0.000080 381 H 33 S 0.000033 -0.000198 -0.000027 -0.000017 -0.000056 382 H 33 S 0.000046 0.000009 -0.000162 0.000171 -0.000289 383 H 33 X -0.000008 0.000008 0.000023 -0.000010 0.000011 384 H 33 Y -0.000018 0.000022 -0.000046 -0.000019 -0.000051 385 H 33 Z -0.000009 -0.000023 0.000052 0.000002 0.000077 386 H 34 S -0.000008 -0.000031 -0.000017 -0.000109 -0.000038 387 H 34 S -0.000003 -0.000030 0.000004 0.000467 -0.000012 388 H 34 X 0.000001 -0.000002 0.000017 -0.000053 0.000003 389 H 34 Y -0.000001 0.000002 -0.000010 -0.000066 0.000019 390 H 34 Z 0.000000 0.000003 0.000003 -0.000038 -0.000009 391 F 35 S 0.000034 0.000002 0.000001 0.000012 0.000008 392 F 35 S 0.000018 0.000002 0.000001 0.000022 0.000014 393 F 35 S -0.000362 -0.000023 -0.000001 -0.000086 -0.000053 394 F 35 X -0.000058 0.000001 -0.000004 0.000001 0.000000 395 F 35 Y -0.000003 -0.000004 -0.000001 0.000002 0.000003 396 F 35 Z 0.000018 0.000003 0.000001 0.000002 0.000000 397 F 35 X -0.000149 -0.000026 0.000003 -0.000023 -0.000020 398 F 35 Y 0.000116 0.000018 0.000006 -0.000012 -0.000016 399 F 35 Z -0.000065 -0.000007 0.000013 -0.000010 0.000013 400 F 35 XX 0.000015 -0.000003 -0.000003 -0.000001 -0.000001 401 F 35 YY -0.000005 0.000002 0.000003 0.000000 0.000002 402 F 35 ZZ -0.000010 0.000001 -0.000000 0.000000 -0.000001 403 F 35 XY -0.000015 0.000001 -0.000000 -0.000000 -0.000002 404 F 35 XZ -0.000015 0.000001 0.000004 -0.000001 0.000002 405 F 35 YZ -0.000017 0.000001 -0.000002 0.000000 -0.000000 406 F 36 S -0.000013 0.000004 -0.000010 -0.000005 0.000004 407 F 36 S -0.000072 0.000007 -0.000017 -0.000009 0.000008 408 F 36 S -0.000284 -0.000019 0.000084 0.000040 -0.000035 409 F 36 X -0.000018 -0.000001 -0.000002 0.000002 -0.000004 410 F 36 Y 0.000049 0.000002 -0.000001 0.000001 0.000001 411 F 36 Z -0.000075 0.000004 0.000002 0.000002 0.000002 412 F 36 X -0.000011 -0.000007 0.000025 -0.000004 0.000018 413 F 36 Y -0.000091 -0.000007 -0.000001 -0.000007 -0.000003 414 F 36 Z -0.000052 -0.000022 0.000041 -0.000002 -0.000008 415 F 36 XX -0.000014 0.000002 -0.000001 -0.000000 -0.000001 416 F 36 YY 0.000009 -0.000002 -0.000004 0.000001 -0.000001 417 F 36 ZZ 0.000005 -0.000000 0.000005 -0.000000 0.000002 418 F 36 XY -0.000037 -0.000000 -0.000001 -0.000000 -0.000001 419 F 36 XZ 0.000008 -0.000001 0.000001 0.000001 0.000001 420 F 36 YZ -0.000027 -0.000001 -0.000002 0.000000 0.000000 421 C 37 S -0.000024 -0.000010 0.000014 0.020156 0.013055 422 C 37 S -0.000041 -0.000039 0.000019 -0.000401 -0.000019 423 C 37 S 0.000016 -0.000291 -0.000208 0.003684 0.005083 424 C 37 X 0.000006 0.000028 0.000012 0.000024 -0.000128 425 C 37 Y -0.000003 0.000059 0.000015 -0.000041 -0.000174 426 C 37 Z -0.000011 0.000002 -0.000026 0.000004 -0.000031 427 C 37 X -0.000101 0.000045 -0.000030 -0.001100 -0.002612 428 C 37 Y -0.000180 0.000302 -0.000352 0.002375 -0.000891 429 C 37 Z -0.000081 -0.000039 -0.000079 0.000362 -0.000070 430 C 37 XX 0.000005 -0.000020 0.000163 -0.000302 -0.000046 431 C 37 YY -0.000002 0.000012 -0.000090 0.000134 0.000057 432 C 37 ZZ -0.000003 0.000009 -0.000074 0.000168 -0.000011 433 C 37 XY 0.000014 -0.000025 -0.000019 0.000136 -0.000218 434 C 37 XZ 0.000016 0.000051 -0.000017 -0.000022 -0.000082 435 C 37 YZ 0.000005 -0.000075 -0.000000 -0.000025 -0.000039 436 S 38 S -0.000006 -0.000007 -0.000026 -0.000042 -0.000031 437 S 38 S -0.000042 -0.000050 -0.000134 -0.000246 -0.000233 438 S 38 S -0.000049 -0.000062 -0.000198 -0.000301 -0.000290 439 S 38 S 0.000339 0.000076 0.001382 0.002595 0.000913 440 S 38 X -0.000005 0.000002 -0.000012 0.000081 -0.000013 441 S 38 Y -0.000009 0.000010 -0.000046 -0.000020 0.000037 442 S 38 Z 0.000004 0.000004 0.000002 0.000001 0.000008 443 S 38 X -0.000016 0.000009 -0.000048 0.000231 -0.000045 444 S 38 Y -0.000028 0.000029 -0.000108 -0.000059 0.000119 445 S 38 Z 0.000016 0.000018 0.000005 -0.000002 0.000029 446 S 38 X 0.000071 -0.000096 0.000050 0.000896 -0.000280 447 S 38 Y -0.000114 -0.000090 -0.000613 -0.000572 -0.000425 448 S 38 Z 0.000027 -0.000005 -0.000046 -0.000010 0.000043 449 S 38 XX -0.000006 0.000008 0.000096 -0.000123 0.000086 450 S 38 YY 0.000018 -0.000003 -0.000238 0.000053 -0.000022 451 S 38 ZZ -0.000012 -0.000005 0.000143 0.000071 -0.000064 452 S 38 XY 0.000005 0.000007 0.000094 0.000062 0.000120 453 S 38 XZ 0.000004 -0.000007 0.000025 -0.000010 -0.000021 454 S 38 YZ -0.000021 -0.000006 0.000000 -0.000002 0.000002 455 S 38 XX 0.000000 -0.000001 -0.000027 0.000053 -0.000010 456 S 38 YY -0.000002 -0.000001 0.000059 -0.000024 -0.000002 457 S 38 ZZ 0.000001 0.000001 -0.000032 -0.000028 0.000012 458 S 38 XY -0.000000 -0.000001 -0.000007 -0.000013 -0.000012 459 S 38 XZ -0.000001 0.000001 -0.000003 0.000003 0.000004 460 S 38 YZ 0.000003 0.000001 0.000001 0.000001 -0.000002 461 H 39 S 0.000001 0.000017 -0.000075 0.000204 -0.000068 462 H 39 S 0.000034 0.000000 -0.000043 0.000413 0.000498 463 H 39 X 0.000001 0.000001 0.000057 -0.000168 0.000074 464 H 39 Y 0.000010 0.000021 -0.000024 -0.000038 0.000113 465 H 39 Z 0.000003 -0.000016 0.000004 -0.000007 0.000015 16 17 18 19 20 -11.2855 -11.2849 -11.2823 -11.2778 -11.2671 A A A A A 1 C 1 S 1.001446 -0.000208 -0.004214 0.000354 -0.034787 2 C 1 S 0.004278 -0.000007 -0.000133 0.000011 -0.000347 3 C 1 S -0.010750 -0.000137 0.000566 -0.000803 0.003695 4 C 1 X 0.000046 -0.000004 0.000040 0.000020 0.000087 5 C 1 Y 0.000318 -0.000003 0.000009 0.000000 -0.000018 6 C 1 Z 0.000035 -0.000005 0.000018 -0.000007 0.000002 7 C 1 X 0.001313 0.000034 -0.000547 0.000401 -0.002150 8 C 1 Y -0.000738 0.000108 -0.000127 -0.000002 0.000511 9 C 1 Z -0.000198 0.000032 -0.000034 -0.000024 0.000093 10 C 1 XX 0.000255 -0.000001 -0.000000 -0.000018 -0.000209 11 C 1 YY -0.000031 0.000007 0.000062 0.000014 -0.000135 12 C 1 ZZ -0.000224 -0.000006 -0.000061 0.000004 0.000343 13 C 1 XY -0.000416 -0.000007 -0.000062 -0.000010 0.000152 14 C 1 XZ -0.000046 -0.000002 -0.000012 0.000009 0.000059 15 C 1 YZ 0.000041 0.000005 0.000020 -0.000007 -0.000036 16 C 2 S 0.034246 0.000330 0.030428 -0.007068 1.001244 17 C 2 S -0.000318 -0.000034 -0.000098 -0.000118 0.004795 18 C 2 S 0.003206 -0.000203 0.000359 0.002342 -0.012491 19 C 2 X -0.000090 0.000008 0.000015 -0.000006 0.000189 20 C 2 Y 0.000009 -0.000003 -0.000110 0.000053 0.000129 21 C 2 Z 0.000027 0.000002 -0.000005 0.000016 -0.000024 22 C 2 X 0.002324 0.000277 -0.000801 0.000832 -0.002388 23 C 2 Y -0.000458 -0.000036 0.000836 0.000907 -0.002228 24 C 2 Z -0.000110 -0.000032 0.000137 0.000002 0.000053 25 C 2 XX -0.000179 -0.000009 0.000108 -0.000001 0.000287 26 C 2 YY -0.000038 0.000026 -0.000393 0.000168 0.000225 27 C 2 ZZ 0.000218 -0.000017 0.000285 -0.000167 -0.000512 28 C 2 XY -0.000214 0.000016 -0.000115 0.000040 0.000314 29 C 2 XZ 0.000014 0.000004 -0.000024 0.000006 -0.000028 30 C 2 YZ 0.000007 -0.000004 -0.000024 0.000024 0.000037 31 C 3 S 0.003049 0.013450 0.991153 -0.146339 -0.031514 32 C 3 S -0.000016 0.000178 0.005134 -0.000948 -0.000061 33 C 3 S -0.000388 -0.001303 -0.012996 0.004009 -0.001072 34 C 3 X -0.000014 -0.000015 -0.000017 0.000220 -0.000004 35 C 3 Y 0.000037 0.000002 0.000282 -0.000131 0.000049 36 C 3 Z 0.000018 -0.000021 0.000075 -0.000017 0.000008 37 C 3 X -0.000265 -0.001379 0.002334 -0.003971 0.003907 38 C 3 Y -0.000567 -0.001430 -0.001848 0.002664 -0.003988 39 C 3 Z -0.000305 -0.000078 -0.000141 -0.000005 -0.000198 40 C 3 XX 0.000043 0.000074 0.000113 -0.000194 -0.000174 41 C 3 YY 0.000010 -0.000031 0.000226 -0.000167 -0.000258 42 C 3 ZZ -0.000053 -0.000043 -0.000339 0.000361 0.000433 43 C 3 XY -0.000120 -0.000048 -0.000467 0.000139 0.000305 44 C 3 XZ -0.000054 0.000002 0.000041 -0.000065 -0.000020 45 C 3 YZ -0.000012 -0.000023 0.000052 -0.000008 -0.000036 46 C 4 S 0.000250 -0.000221 -0.012926 0.001709 0.000406 47 C 4 S -0.000040 -0.000277 0.000430 -0.000125 -0.000073 48 C 4 S -0.000305 0.001984 -0.000995 -0.000057 -0.000439 49 C 4 X -0.000023 0.000043 -0.000203 0.000005 -0.000002 50 C 4 Y 0.000036 -0.000042 -0.000205 -0.000009 -0.000000 51 C 4 Z -0.000041 -0.000045 -0.000055 -0.000002 -0.000052 52 C 4 X -0.000558 -0.001316 0.000058 -0.000105 -0.000393 53 C 4 Y -0.000659 -0.000039 0.000085 -0.001361 0.000370 54 C 4 Z 0.000407 -0.000791 -0.000664 -0.000399 0.000341 55 C 4 XX 0.000012 0.000063 0.000013 0.000115 0.000083 56 C 4 YY 0.000047 0.000021 -0.000063 0.000031 0.000014 57 C 4 ZZ -0.000059 -0.000084 0.000050 -0.000146 -0.000097 58 C 4 XY 0.000066 0.000042 -0.000149 0.000103 0.000032 59 C 4 XZ 0.000007 0.000008 -0.000031 0.000025 0.000024 60 C 4 YZ 0.000014 -0.000028 0.000002 0.000061 0.000014 61 S 5 S -0.000036 -0.000004 -0.000009 -0.000005 -0.000013 62 S 5 S -0.000205 -0.000028 -0.000064 -0.000035 -0.000097 63 S 5 S -0.000265 -0.000031 -0.000072 -0.000042 -0.000111 64 S 5 S 0.002071 0.000185 0.000255 -0.000113 0.000393 65 S 5 X -0.000040 0.000003 0.000003 0.000009 0.000008 66 S 5 Y -0.000064 -0.000000 0.000001 -0.000012 0.000015 67 S 5 Z 0.000005 0.000005 0.000009 -0.000003 0.000007 68 S 5 X -0.000109 0.000007 0.000001 0.000021 0.000015 69 S 5 Y -0.000176 0.000002 -0.000008 -0.000036 0.000041 70 S 5 Z 0.000015 0.000016 0.000032 -0.000012 0.000029 71 S 5 X -0.000809 -0.000058 -0.000090 0.000017 -0.000045 72 S 5 Y -0.000561 0.000150 -0.000131 0.000103 -0.000122 73 S 5 Z -0.000014 0.000049 -0.000001 -0.000034 -0.000020 74 S 5 XX -0.000021 -0.000010 0.000067 0.000000 0.000016 75 S 5 YY -0.000065 0.000026 -0.000003 0.000017 0.000061 76 S 5 ZZ 0.000086 -0.000016 -0.000064 -0.000018 -0.000077 77 S 5 XY -0.000104 -0.000010 0.000025 0.000011 0.000018 78 S 5 XZ 0.000031 -0.000011 -0.000018 0.000019 -0.000002 79 S 5 YZ -0.000001 0.000017 0.000003 -0.000003 0.000001 80 S 5 XX 0.000002 0.000001 -0.000010 -0.000001 -0.000004 81 S 5 YY 0.000026 -0.000003 0.000000 -0.000002 -0.000008 82 S 5 ZZ -0.000028 0.000003 0.000010 0.000003 0.000012 83 S 5 XY 0.000042 0.000001 -0.000004 -0.000000 -0.000005 84 S 5 XZ -0.000004 0.000001 0.000002 -0.000002 0.000000 85 S 5 YZ -0.000001 -0.000002 -0.000000 0.000001 0.000000 86 H 6 S 0.000132 0.000006 0.000078 -0.000047 -0.000552 87 H 6 S 0.000339 0.000020 0.000084 0.000264 0.000459 88 H 6 X 0.000038 -0.000009 0.000163 -0.000045 -0.000336 89 H 6 Y 0.000159 -0.000018 0.000031 -0.000069 -0.000391 90 H 6 Z 0.000013 -0.000000 -0.000012 0.000006 -0.000028 91 C 7 S 0.000046 -0.037447 0.000930 0.001884 -0.000030 92 C 7 S 0.000050 -0.000380 0.000154 0.000075 -0.000048 93 C 7 S -0.000529 0.002872 -0.001800 -0.000604 0.001213 94 C 7 X 0.000003 0.000222 0.000001 -0.000043 -0.000002 95 C 7 Y -0.000005 0.000149 -0.000016 -0.000025 -0.000018 96 C 7 Z 0.000006 0.000011 0.000014 0.000052 0.000013 97 C 7 X -0.000209 -0.002195 -0.000536 -0.001786 -0.000399 98 C 7 Y 0.000556 -0.001361 0.002055 0.000753 -0.000198 99 C 7 Z 0.000020 0.000234 0.000220 0.000130 0.000112 100 C 7 XX -0.000013 -0.000179 0.000041 0.000090 0.000014 101 C 7 YY -0.000009 -0.000100 -0.000039 0.000006 -0.000001 102 C 7 ZZ 0.000021 0.000279 -0.000001 -0.000096 -0.000013 103 C 7 XY 0.000008 -0.000082 0.000038 0.000099 0.000017 104 C 7 XZ 0.000007 0.000101 0.000026 -0.000053 -0.000006 105 C 7 YZ -0.000005 0.000019 -0.000047 -0.000020 -0.000007 106 C 8 S -0.000016 -0.000117 -0.000016 -0.000029 -0.000014 107 C 8 S -0.000051 -0.000055 -0.000048 -0.000066 -0.000028 108 C 8 S 0.000779 0.000628 0.000339 0.000753 0.000183 109 C 8 X -0.000002 0.000010 -0.000016 0.000016 0.000006 110 C 8 Y -0.000018 -0.000000 0.000009 -0.000003 -0.000000 111 C 8 Z 0.000004 0.000007 0.000000 0.000003 0.000006 112 C 8 X 0.000311 -0.000012 0.000263 -0.000066 -0.000061 113 C 8 Y -0.000437 -0.000766 -0.000119 -0.000718 -0.000237 114 C 8 Z -0.000072 -0.000094 0.000033 -0.000103 -0.000047 115 C 8 XX -0.000008 0.000011 0.000009 -0.000000 0.000001 116 C 8 YY 0.000028 0.000021 -0.000000 0.000023 0.000012 117 C 8 ZZ -0.000021 -0.000032 -0.000008 -0.000023 -0.000013 118 C 8 XY -0.000018 -0.000007 -0.000017 -0.000008 -0.000000 119 C 8 XZ 0.000000 -0.000005 0.000011 -0.000002 0.000001 120 C 8 YZ 0.000006 0.000001 0.000003 0.000010 0.000003 121 C 9 S -0.000428 0.005890 0.001404 0.000110 -0.000079 122 C 9 S -0.000083 -0.000041 -0.000261 -0.000207 -0.000050 123 C 9 S 0.000890 -0.000385 0.000564 0.001916 0.000271 124 C 9 X -0.000000 -0.000007 0.000060 0.000033 0.000004 125 C 9 Y -0.000007 0.000047 0.000138 0.000005 0.000016 126 C 9 Z 0.000007 0.000016 0.000067 0.000006 0.000015 127 C 9 X -0.000429 -0.000271 -0.002443 -0.000844 -0.000064 128 C 9 Y -0.000413 0.000902 -0.001375 0.000331 -0.000436 129 C 9 Z 0.000152 0.000193 0.000234 0.001080 -0.000335 130 C 9 XX -0.000003 0.000138 0.000055 0.000026 -0.000012 131 C 9 YY 0.000022 -0.000000 0.000019 0.000020 0.000041 132 C 9 ZZ -0.000020 -0.000138 -0.000075 -0.000046 -0.000029 133 C 9 XY -0.000034 -0.000040 0.000019 -0.000035 0.000005 134 C 9 XZ -0.000010 -0.000056 -0.000028 -0.000016 0.000002 135 C 9 YZ -0.000012 0.000049 -0.000095 -0.000021 -0.000007 136 C 10 S 0.000100 0.999483 -0.022868 -0.062531 -0.000117 137 C 10 S -0.000050 0.004970 -0.000336 -0.000375 -0.000031 138 C 10 S 0.000806 -0.012049 0.003702 0.002584 0.000175 139 C 10 X 0.000002 -0.000122 -0.000001 0.000006 0.000012 140 C 10 Y 0.000008 0.000041 0.000013 -0.000004 -0.000001 141 C 10 Z -0.000005 -0.000004 -0.000020 0.000002 0.000003 142 C 10 X 0.000213 -0.001958 0.000629 0.001058 -0.001327 143 C 10 Y -0.000494 0.001443 -0.002041 -0.003139 -0.000763 144 C 10 Z -0.000082 0.000245 -0.000186 -0.000083 0.000033 145 C 10 XX 0.000006 0.000445 0.000063 -0.000057 -0.000012 146 C 10 YY 0.000019 -0.000080 0.000032 -0.000262 0.000015 147 C 10 ZZ -0.000025 -0.000365 -0.000095 0.000319 -0.000003 148 C 10 XY -0.000000 0.000319 -0.000073 -0.000226 0.000014 149 C 10 XZ -0.000003 -0.000133 0.000028 0.000048 0.000019 150 C 10 YZ 0.000010 -0.000066 0.000003 -0.000024 0.000011 151 C 11 S 0.000365 0.064858 0.144711 0.989775 0.002408 152 C 11 S 0.000015 0.000135 0.000382 0.004996 -0.000084 153 C 11 S -0.000641 0.003077 0.001687 -0.013956 0.003754 154 C 11 X -0.000018 -0.000019 -0.000201 -0.000086 0.000070 155 C 11 Y 0.000023 0.000020 0.000087 0.000002 -0.000010 156 C 11 Z -0.000023 -0.000007 -0.000035 0.000036 0.000015 157 C 11 X 0.000238 0.000583 0.003613 -0.003025 0.004024 158 C 11 Y -0.000392 0.003023 -0.003437 -0.001188 -0.001518 159 C 11 Z 0.000172 -0.000146 0.000399 -0.000291 0.000288 160 C 11 XX -0.000014 -0.000011 -0.000166 0.000480 0.000228 161 C 11 YY -0.000009 -0.000209 -0.000072 -0.000073 -0.000063 162 C 11 ZZ 0.000023 0.000220 0.000238 -0.000407 -0.000165 163 C 11 XY -0.000008 0.000191 0.000021 -0.000248 -0.000072 164 C 11 XZ -0.000003 0.000044 0.000002 0.000019 0.000062 165 C 11 YZ 0.000001 0.000017 -0.000015 0.000003 -0.000014 166 C 12 S 0.000004 -0.002169 -0.000002 0.000055 -0.000008 167 C 12 S 0.000007 0.000163 -0.000093 -0.000179 -0.000017 168 C 12 S -0.000053 -0.000284 0.000374 0.001155 -0.000538 169 C 12 X -0.000000 0.000021 -0.000028 -0.000004 -0.000019 170 C 12 Y 0.000003 0.000059 0.000005 -0.000004 0.000006 171 C 12 Z 0.000002 -0.000027 0.000005 -0.000031 -0.000002 172 C 12 X 0.000051 -0.000518 0.000162 0.000514 -0.000103 173 C 12 Y 0.000137 0.000176 0.000098 0.000051 0.000035 174 C 12 Z 0.000038 0.000542 0.000108 0.000488 0.000182 175 C 12 XX -0.000001 -0.000293 -0.000017 0.000035 0.000010 176 C 12 YY 0.000003 0.000010 0.000041 0.000025 0.000009 177 C 12 ZZ -0.000001 0.000284 -0.000024 -0.000060 -0.000019 178 C 12 XY 0.000001 0.000300 -0.000009 -0.000016 0.000004 179 C 12 XZ 0.000002 0.000044 0.000015 -0.000040 -0.000001 180 C 12 YZ -0.000006 -0.000052 -0.000012 -0.000013 0.000000 181 C 13 S -0.000040 -0.000098 -0.000045 0.000035 -0.000018 182 C 13 S -0.000070 -0.000252 -0.000078 0.000000 -0.000034 183 C 13 S 0.000542 0.001191 -0.000004 -0.000216 -0.000146 184 C 13 X 0.000004 -0.000019 -0.000009 -0.000007 -0.000009 185 C 13 Y -0.000008 -0.000026 0.000008 0.000010 0.000014 186 C 13 Z 0.000001 0.000045 0.000002 0.000030 0.000004 187 C 13 X 0.000136 0.000825 0.000181 0.000108 0.000103 188 C 13 Y -0.000101 -0.000077 0.000176 0.000387 0.000245 189 C 13 Z 0.000085 -0.000829 -0.000144 -0.000562 -0.000144 190 C 13 XX 0.000005 0.000073 0.000057 0.000051 0.000028 191 C 13 YY 0.000004 -0.000104 -0.000033 -0.000066 -0.000018 192 C 13 ZZ -0.000009 0.000031 -0.000024 0.000015 -0.000010 193 C 13 XY -0.000014 0.000036 -0.000014 -0.000001 -0.000001 194 C 13 XZ 0.000003 0.000012 -0.000007 -0.000003 -0.000002 195 C 13 YZ -0.000011 -0.000014 0.000005 -0.000011 0.000001 196 C 14 S -0.000008 -0.000139 -0.000350 -0.002103 -0.000052 197 C 14 S -0.000017 -0.000024 -0.000121 0.000107 -0.000109 198 C 14 S 0.000021 0.000162 0.001218 0.000100 0.001483 199 C 14 X -0.000013 0.000003 0.000012 0.000019 -0.000009 200 C 14 Y 0.000015 -0.000001 0.000022 -0.000037 -0.000012 201 C 14 Z 0.000002 -0.000019 -0.000005 -0.000014 0.000009 202 C 14 X 0.000288 0.000272 -0.000004 -0.000616 0.000043 203 C 14 Y -0.000198 -0.000464 0.000753 -0.000186 0.000640 204 C 14 Z -0.000001 0.000631 0.000002 0.000122 -0.000051 205 C 14 XX -0.000010 0.000007 -0.000048 -0.000209 -0.000072 206 C 14 YY -0.000002 0.000031 0.000045 -0.000072 0.000026 207 C 14 ZZ 0.000013 -0.000039 0.000003 0.000281 0.000045 208 C 14 XY 0.000050 -0.000024 0.000048 -0.000346 0.000010 209 C 14 XZ -0.000013 -0.000011 -0.000030 -0.000031 -0.000006 210 C 14 YZ 0.000016 0.000049 0.000006 -0.000015 0.000012 211 F 15 S 0.000001 -0.000041 0.000010 0.000055 0.000009 212 F 15 S 0.000002 -0.000097 0.000019 0.000102 0.000017 213 F 15 S -0.000002 -0.000072 -0.000072 -0.000386 -0.000059 214 F 15 X -0.000000 -0.000093 0.000003 0.000015 0.000002 215 F 15 Y 0.000002 0.000044 0.000004 0.000020 0.000001 216 F 15 Z -0.000001 0.000055 -0.000003 -0.000000 0.000001 217 F 15 X 0.000006 0.000227 -0.000015 -0.000100 -0.000019 218 F 15 Y -0.000013 -0.000133 -0.000013 -0.000033 0.000004 219 F 15 Z -0.000000 -0.000024 0.000013 0.000066 -0.000003 220 F 15 XX 0.000000 0.000028 -0.000001 -0.000001 -0.000003 221 F 15 YY -0.000001 -0.000007 -0.000003 -0.000004 -0.000000 222 F 15 ZZ 0.000000 -0.000020 0.000004 0.000005 0.000003 223 F 15 XY -0.000000 -0.000012 0.000002 0.000007 0.000001 224 F 15 XZ -0.000000 0.000001 0.000000 -0.000001 -0.000000 225 F 15 YZ 0.000000 -0.000004 0.000001 0.000001 -0.000001 226 F 16 S -0.000000 -0.000034 0.000004 -0.000013 -0.000008 227 F 16 S -0.000000 -0.000074 0.000006 -0.000023 -0.000014 228 F 16 S -0.000008 0.000115 -0.000034 0.000069 0.000072 229 F 16 X -0.000001 -0.000064 -0.000006 -0.000008 -0.000002 230 F 16 Y 0.000002 0.000034 -0.000001 -0.000001 -0.000003 231 F 16 Z 0.000002 0.000018 -0.000001 0.000010 -0.000001 232 F 16 X 0.000001 0.000154 0.000030 0.000064 0.000020 233 F 16 Y -0.000010 -0.000107 0.000025 -0.000017 -0.000008 234 F 16 Z -0.000016 -0.000054 -0.000026 -0.000081 0.000003 235 F 16 XX 0.000001 0.000006 0.000007 0.000010 0.000001 236 F 16 YY 0.000000 -0.000005 -0.000003 0.000002 0.000001 237 F 16 ZZ -0.000001 -0.000001 -0.000004 -0.000012 -0.000001 238 F 16 XY 0.000000 -0.000003 -0.000001 -0.000005 -0.000000 239 F 16 XZ -0.000000 -0.000011 -0.000001 -0.000003 -0.000000 240 F 16 YZ 0.000001 -0.000019 0.000004 0.000006 0.000000 241 F 17 S 0.000016 -0.000012 0.000004 -0.000028 0.000012 242 F 17 S 0.000029 -0.000022 0.000005 -0.000066 0.000020 243 F 17 S -0.000113 0.000081 -0.000013 0.000017 -0.000056 244 F 17 X 0.000000 -0.000020 0.000000 -0.000068 0.000002 245 F 17 Y 0.000000 -0.000005 -0.000002 -0.000052 0.000001 246 F 17 Z -0.000000 0.000008 -0.000005 -0.000001 -0.000005 247 F 17 X -0.000023 0.000098 -0.000048 0.000169 -0.000032 248 F 17 Y -0.000021 0.000059 -0.000059 0.000105 -0.000050 249 F 17 Z -0.000030 -0.000069 -0.000001 -0.000008 -0.000002 250 F 17 XX 0.000003 0.000012 -0.000002 0.000009 0.000000 251 F 17 YY -0.000001 0.000002 -0.000000 -0.000014 -0.000005 252 F 17 ZZ -0.000002 -0.000015 0.000002 0.000006 0.000005 253 F 17 XY -0.000002 0.000009 0.000001 0.000006 0.000002 254 F 17 XZ -0.000001 -0.000001 -0.000004 -0.000010 -0.000003 255 F 17 YZ -0.000002 -0.000001 -0.000006 0.000012 -0.000006 256 F 18 S 0.000011 0.000031 0.000008 -0.000055 0.000005 257 F 18 S 0.000020 0.000057 0.000011 -0.000121 0.000009 258 F 18 S -0.000055 -0.000250 -0.000078 0.000031 -0.000050 259 F 18 X 0.000007 0.000010 -0.000008 -0.000090 0.000004 260 F 18 Y -0.000004 -0.000022 0.000004 -0.000067 0.000001 261 F 18 Z -0.000001 -0.000002 0.000003 0.000030 0.000004 262 F 18 X -0.000050 -0.000047 -0.000013 0.000225 -0.000014 263 F 18 Y 0.000022 0.000073 -0.000060 0.000155 -0.000042 264 F 18 Z 0.000023 0.000017 0.000031 0.000021 0.000027 265 F 18 XX -0.000000 0.000003 -0.000002 0.000022 0.000000 266 F 18 YY 0.000002 -0.000007 0.000004 -0.000008 0.000002 267 F 18 ZZ -0.000002 0.000005 -0.000002 -0.000013 -0.000002 268 F 18 XY 0.000001 -0.000002 0.000005 0.000014 0.000002 269 F 18 XZ 0.000003 -0.000004 -0.000000 0.000007 0.000003 270 F 18 YZ -0.000001 -0.000009 0.000005 0.000010 0.000007 271 C 19 S -0.000013 -0.000033 -0.000018 -0.000016 -0.000030 272 C 19 S -0.000012 -0.000031 -0.000022 -0.000022 -0.000015 273 C 19 S 0.000001 0.000338 -0.000034 0.000290 0.000137 274 C 19 X 0.000007 -0.000001 -0.000001 -0.000001 0.000000 275 C 19 Y 0.000009 0.000001 0.000011 0.000001 0.000001 276 C 19 Z -0.000000 0.000001 -0.000001 -0.000001 -0.000000 277 C 19 X -0.000068 -0.000153 -0.000008 -0.000115 -0.000043 278 C 19 Y 0.000035 -0.000099 -0.000027 -0.000082 -0.000045 279 C 19 Z 0.000026 -0.000022 0.000014 -0.000006 -0.000001 280 C 19 XX 0.000015 0.000009 0.000008 0.000006 0.000001 281 C 19 YY -0.000008 -0.000005 0.000003 -0.000002 -0.000000 282 C 19 ZZ -0.000007 -0.000004 -0.000011 -0.000003 -0.000001 283 C 19 XY -0.000001 0.000006 0.000004 0.000001 -0.000000 284 C 19 XZ -0.000001 -0.000000 0.000003 0.000000 -0.000001 285 C 19 YZ 0.000000 -0.000002 0.000008 -0.000001 -0.000000 286 H 20 S -0.000001 -0.000012 -0.000018 -0.000012 -0.000005 287 H 20 S 0.000035 0.000066 0.000062 0.000049 0.000014 288 H 20 X 0.000005 0.000000 -0.000005 0.000001 -0.000000 289 H 20 Y 0.000001 -0.000001 -0.000008 0.000000 -0.000001 290 H 20 Z -0.000002 0.000000 -0.000003 -0.000001 -0.000001 291 H 21 S 0.000010 -0.000011 0.000019 -0.000004 -0.000003 292 H 21 S -0.000003 -0.000005 -0.000001 -0.000003 -0.000000 293 H 21 X 0.000002 -0.000000 0.000001 0.000000 0.000000 294 H 21 Y -0.000006 -0.000002 0.000001 -0.000002 0.000000 295 H 21 Z -0.000001 -0.000002 0.000005 -0.000002 -0.000001 296 C 22 S 0.012441 -0.000011 -0.000073 -0.000026 -0.002417 297 C 22 S -0.000070 -0.000014 -0.000063 -0.000022 -0.000068 298 C 22 S 0.000895 0.000087 0.000075 0.000081 0.000386 299 C 22 X 0.000047 -0.000001 0.000017 0.000003 -0.000024 300 C 22 Y -0.000072 -0.000003 -0.000032 0.000001 0.000031 301 C 22 Z -0.000007 0.000001 -0.000005 -0.000001 -0.000002 302 C 22 X -0.000810 -0.000007 0.000043 -0.000098 0.000125 303 C 22 Y 0.000438 0.000062 0.000096 0.000022 0.000321 304 C 22 Z 0.000092 -0.000013 0.000055 0.000002 0.000064 305 C 22 XX 0.000121 -0.000000 0.000005 0.000006 0.000001 306 C 22 YY -0.000323 -0.000001 -0.000001 -0.000004 0.000116 307 C 22 ZZ 0.000202 0.000001 -0.000004 -0.000001 -0.000117 308 C 22 XY 0.000075 -0.000003 0.000018 -0.000010 -0.000010 309 C 22 XZ 0.000011 -0.000001 0.000002 0.000000 -0.000006 310 C 22 YZ -0.000027 -0.000001 0.000006 -0.000003 0.000016 311 H 23 S -0.000051 0.000002 -0.000013 -0.000012 -0.000033 312 H 23 S -0.000257 0.000023 0.000081 0.000003 0.000035 313 H 23 X 0.000060 0.000002 -0.000002 -0.000002 0.000006 314 H 23 Y 0.000013 0.000002 0.000000 0.000011 -0.000038 315 H 23 Z -0.000004 0.000002 -0.000004 0.000001 -0.000009 316 H 24 S -0.000112 -0.000005 -0.000014 -0.000006 0.000007 317 H 24 S 0.000464 0.000005 -0.000027 0.000015 0.000000 318 H 24 X -0.000024 -0.000001 0.000001 0.000006 -0.000030 319 H 24 Y 0.000088 -0.000004 -0.000003 -0.000002 0.000000 320 H 24 Z -0.000028 0.000001 -0.000002 -0.000003 -0.000010 321 H 25 S -0.000096 -0.000012 0.000006 -0.000004 0.000022 322 H 25 S 0.000452 0.000003 -0.000002 0.000006 0.000035 323 H 25 X -0.000019 -0.000000 -0.000004 0.000007 -0.000036 324 H 25 Y 0.000077 -0.000001 -0.000004 -0.000005 -0.000003 325 H 25 Z 0.000036 -0.000000 -0.000001 0.000002 0.000009 326 C 26 S 0.000024 -0.000044 -0.000117 -0.000026 0.000046 327 C 26 S 0.000036 -0.000070 -0.000089 -0.000007 0.000062 328 C 26 S -0.000232 0.000163 -0.000488 -0.000009 -0.000558 329 C 26 X 0.000010 0.000049 0.000035 0.000023 0.000002 330 C 26 Y -0.000003 0.000009 0.000048 -0.000001 0.000001 331 C 26 Z -0.000005 0.000000 -0.000087 -0.000022 -0.000009 332 C 26 X 0.000024 -0.000281 0.000472 0.000287 0.000168 333 C 26 Y 0.000066 0.000141 0.000106 0.000407 0.000113 334 C 26 Z -0.000066 0.000398 0.000371 0.000394 -0.000106 335 C 26 XX -0.000000 -0.000066 -0.000002 -0.000047 0.000002 336 C 26 YY 0.000005 -0.000006 -0.000055 -0.000015 -0.000006 337 C 26 ZZ -0.000005 0.000072 0.000058 0.000062 0.000004 338 C 26 XY -0.000004 0.000032 0.000026 -0.000036 -0.000019 339 C 26 XZ 0.000005 0.000029 0.000079 0.000026 -0.000012 340 C 26 YZ 0.000014 0.000005 0.000114 0.000033 0.000018 341 H 27 S -0.000009 -0.000126 -0.000114 -0.000010 0.000020 342 H 27 S 0.000103 0.000293 0.000903 0.000809 0.000303 343 H 27 X 0.000011 0.000034 0.000027 0.000032 0.000036 344 H 27 Y 0.000009 0.000016 -0.000013 0.000051 0.000035 345 H 27 Z -0.000003 0.000019 0.000075 0.000059 0.000006 346 H 28 S 0.000021 -0.000045 0.000160 0.000014 0.000044 347 H 28 S -0.000006 -0.000053 0.000120 -0.000112 -0.000010 348 H 28 X 0.000004 0.000044 0.000006 -0.000005 -0.000011 349 H 28 Y -0.000003 0.000000 -0.000061 -0.000010 -0.000013 350 H 28 Z 0.000010 -0.000045 0.000017 -0.000019 0.000008 351 H 29 S 0.000024 0.000127 0.000035 0.000054 0.000010 352 H 29 S -0.000011 0.000219 -0.000162 -0.000004 -0.000064 353 H 29 X -0.000002 -0.000040 -0.000006 -0.000021 0.000000 354 H 29 Y 0.000004 0.000028 0.000036 -0.000009 -0.000012 355 H 29 Z -0.000002 0.000012 -0.000035 0.000000 -0.000009 356 C 30 S 0.000000 -0.000080 -0.000560 -0.000038 -0.000057 357 C 30 S 0.000013 -0.000057 -0.000552 -0.000027 -0.000033 358 C 30 S -0.000462 -0.000199 0.001753 0.000177 -0.000385 359 C 30 X 0.000009 0.000042 0.000125 0.000039 0.000008 360 C 30 Y 0.000027 0.000006 0.000086 -0.000009 0.000034 361 C 30 Z 0.000019 0.000051 0.000042 -0.000016 0.000020 362 C 30 X -0.000033 0.000328 -0.001269 -0.000160 -0.000168 363 C 30 Y 0.000246 -0.000430 -0.000936 -0.000079 0.000003 364 C 30 Z -0.000289 -0.000506 -0.001005 -0.000367 -0.000285 365 C 30 XX -0.000011 -0.000061 0.000022 -0.000065 -0.000003 366 C 30 YY -0.000052 -0.000022 -0.000044 -0.000017 -0.000054 367 C 30 ZZ 0.000063 0.000083 0.000022 0.000082 0.000057 368 C 30 XY 0.000011 0.000020 0.000102 -0.000053 -0.000030 369 C 30 XZ -0.000007 -0.000041 0.000122 -0.000023 -0.000009 370 C 30 YZ -0.000002 0.000058 0.000133 -0.000015 0.000031 371 H 31 S -0.000027 0.000035 -0.000264 -0.000018 -0.000061 372 H 31 S 0.000575 -0.000118 -0.000102 -0.000037 0.000475 373 H 31 X 0.000004 0.000003 0.000111 0.000031 0.000003 374 H 31 Y 0.000067 0.000030 0.000077 -0.000002 0.000074 375 H 31 Z -0.000027 0.000025 0.000034 0.000042 -0.000023 376 H 32 S 0.000036 -0.000050 -0.000272 -0.000103 -0.000003 377 H 32 S -0.000022 0.001023 -0.000202 0.000319 -0.000034 378 H 32 X 0.000020 0.000033 0.000089 0.000023 0.000007 379 H 32 Y -0.000006 -0.000030 0.000097 -0.000028 0.000017 380 H 32 Z 0.000020 -0.000086 0.000035 -0.000028 0.000027 381 H 33 S 0.000056 0.000081 0.000044 0.000113 0.000084 382 H 33 S 0.000031 0.000040 0.000801 0.000158 0.000142 383 H 33 X -0.000013 -0.000027 0.000015 -0.000034 -0.000031 384 H 33 Y -0.000024 -0.000008 0.000009 -0.000044 -0.000019 385 H 33 Z 0.000006 0.000012 0.000029 -0.000017 0.000009 386 H 34 S 0.000000 -0.000007 0.000006 -0.000006 -0.000006 387 H 34 S -0.000016 -0.000001 -0.000020 -0.000006 -0.000001 388 H 34 X -0.000000 0.000001 -0.000002 -0.000001 -0.000001 389 H 34 Y -0.000005 -0.000004 0.000007 -0.000004 -0.000001 390 H 34 Z -0.000001 0.000000 -0.000002 0.000001 0.000000 391 F 35 S 0.000005 -0.000046 -0.000009 -0.000032 -0.000010 392 F 35 S 0.000009 -0.000087 -0.000019 -0.000059 -0.000019 393 F 35 S -0.000043 0.000315 0.000073 0.000220 0.000079 394 F 35 X 0.000002 0.000000 0.000001 -0.000004 0.000001 395 F 35 Y -0.000000 0.000007 -0.000001 -0.000004 0.000003 396 F 35 Z 0.000001 -0.000012 0.000003 -0.000012 0.000002 397 F 35 X -0.000027 0.000016 -0.000024 0.000061 -0.000003 398 F 35 Y 0.000004 -0.000015 -0.000003 -0.000007 -0.000021 399 F 35 Z -0.000000 0.000098 0.000004 0.000075 -0.000000 400 F 35 XX -0.000001 -0.000003 -0.000006 0.000001 -0.000003 401 F 35 YY 0.000001 0.000008 0.000004 0.000002 0.000002 402 F 35 ZZ -0.000000 -0.000004 0.000002 -0.000003 0.000001 403 F 35 XY -0.000001 -0.000001 -0.000001 -0.000002 -0.000001 404 F 35 XZ 0.000000 0.000016 0.000005 0.000010 0.000003 405 F 35 YZ -0.000000 -0.000001 0.000003 0.000004 0.000002 406 F 36 S 0.000005 0.000073 0.000011 0.000033 0.000008 407 F 36 S 0.000010 0.000130 0.000020 0.000059 0.000015 408 F 36 S -0.000041 -0.000637 -0.000088 -0.000279 -0.000068 409 F 36 X 0.000001 -0.000044 -0.000004 -0.000030 -0.000003 410 F 36 Y -0.000002 -0.000016 0.000005 0.000007 0.000003 411 F 36 Z 0.000002 -0.000018 -0.000001 -0.000011 -0.000000 412 F 36 X -0.000008 0.000051 -0.000005 0.000053 0.000001 413 F 36 Y 0.000014 0.000069 -0.000013 -0.000031 -0.000016 414 F 36 Z -0.000021 -0.000121 -0.000010 -0.000026 -0.000007 415 F 36 XX 0.000000 0.000004 0.000002 -0.000001 0.000001 416 F 36 YY 0.000000 -0.000002 -0.000005 -0.000001 -0.000003 417 F 36 ZZ -0.000000 -0.000002 0.000003 0.000001 0.000002 418 F 36 XY -0.000000 0.000005 0.000000 -0.000001 0.000001 419 F 36 XZ -0.000000 -0.000003 -0.000002 -0.000001 -0.000001 420 F 36 YZ 0.000000 0.000004 -0.000000 -0.000004 -0.000001 421 C 37 S -0.000007 0.000133 0.000068 0.000021 -0.000005 422 C 37 S -0.000001 -0.000016 -0.000072 0.000013 0.000018 423 C 37 S -0.000481 -0.000679 0.001420 -0.000839 -0.000057 424 C 37 X -0.000001 0.000007 -0.000014 0.000007 -0.000005 425 C 37 Y 0.000015 0.000001 -0.000019 0.000008 -0.000007 426 C 37 Z -0.000003 0.000007 0.000002 -0.000014 0.000009 427 C 37 X -0.000003 0.000301 -0.000561 0.000452 -0.000030 428 C 37 Y -0.000743 -0.000586 -0.000958 -0.000516 -0.000137 429 C 37 Z -0.000113 -0.000021 -0.000373 -0.000073 0.000009 430 C 37 XX 0.000005 0.000045 0.000035 0.000001 0.000012 431 C 37 YY -0.000015 -0.000025 0.000010 -0.000007 -0.000006 432 C 37 ZZ 0.000010 -0.000021 -0.000045 0.000006 -0.000006 433 C 37 XY 0.000030 0.000005 0.000013 0.000010 0.000009 434 C 37 XZ 0.000010 -0.000013 0.000010 0.000004 -0.000007 435 C 37 YZ -0.000009 -0.000017 0.000024 0.000000 -0.000013 436 S 38 S -0.000002 -0.000004 0.000003 0.000000 -0.000000 437 S 38 S -0.000014 -0.000033 0.000018 0.000002 -0.000003 438 S 38 S -0.000017 -0.000040 0.000017 -0.000001 -0.000007 439 S 38 S -0.000060 0.000296 -0.000603 -0.000254 -0.000063 440 S 38 X 0.000000 0.000008 0.000007 0.000004 0.000001 441 S 38 Y 0.000005 -0.000007 0.000022 0.000005 0.000005 442 S 38 Z 0.000000 -0.000003 0.000000 0.000001 -0.000000 443 S 38 X 0.000001 0.000031 0.000024 0.000013 0.000004 444 S 38 Y 0.000014 -0.000026 0.000068 0.000014 0.000018 445 S 38 Z 0.000003 -0.000012 0.000003 0.000004 -0.000006 446 S 38 X 0.000106 0.000182 0.000119 0.000097 -0.000005 447 S 38 Y 0.000115 -0.000064 0.000314 0.000148 0.000038 448 S 38 Z 0.000018 -0.000004 -0.000009 0.000007 -0.000009 449 S 38 XX 0.000008 -0.000030 0.000019 -0.000013 0.000001 450 S 38 YY -0.000004 0.000073 -0.000022 0.000005 -0.000006 451 S 38 ZZ -0.000004 -0.000043 0.000003 0.000008 0.000005 452 S 38 XY -0.000000 -0.000046 -0.000021 -0.000032 -0.000004 453 S 38 XZ 0.000003 -0.000002 -0.000008 -0.000001 -0.000001 454 S 38 YZ 0.000001 0.000009 0.000002 -0.000003 0.000004 455 S 38 XX -0.000001 0.000004 -0.000002 0.000001 -0.000000 456 S 38 YY 0.000000 -0.000011 0.000002 -0.000000 0.000000 457 S 38 ZZ 0.000001 0.000007 0.000000 -0.000001 -0.000000 458 S 38 XY 0.000000 0.000004 0.000002 0.000003 0.000000 459 S 38 XZ -0.000000 0.000001 0.000001 0.000000 0.000000 460 S 38 YZ -0.000000 -0.000001 -0.000000 0.000001 -0.000001 461 H 39 S -0.000029 -0.000056 -0.000044 -0.000022 -0.000001 462 H 39 S 0.000101 -0.000127 0.000028 -0.000162 0.000015 463 H 39 X -0.000015 0.000016 0.000026 -0.000005 0.000002 464 H 39 Y 0.000035 0.000018 0.000035 0.000017 0.000004 465 H 39 Z 0.000007 0.000001 0.000016 -0.000003 0.000001 21 22 23 24 25 -11.2637 -11.2626 -11.2592 -11.2458 -11.2431 A A A A A 1 C 1 S -0.000011 -0.000007 -0.012653 0.000056 0.000011 2 C 1 S -0.000031 -0.000019 0.000050 0.000072 0.000032 3 C 1 S 0.000152 0.000635 0.001005 -0.000167 0.000156 4 C 1 X -0.000004 -0.000009 0.000022 0.000021 -0.000009 5 C 1 Y -0.000005 -0.000003 -0.000033 0.000012 0.000020 6 C 1 Z 0.000001 -0.000013 -0.000004 -0.000008 -0.000013 7 C 1 X 0.000073 -0.000483 0.001807 -0.000488 -0.000255 8 C 1 Y 0.000200 0.000054 -0.001648 -0.000522 -0.000240 9 C 1 Z -0.000002 0.000123 -0.000198 -0.000021 0.000079 10 C 1 XX -0.000002 0.000022 -0.000006 0.000023 0.000008 11 C 1 YY 0.000010 -0.000019 -0.000229 -0.000061 -0.000021 12 C 1 ZZ -0.000009 -0.000003 0.000234 0.000038 0.000013 13 C 1 XY 0.000008 0.000002 0.000237 0.000024 -0.000011 14 C 1 XZ 0.000000 -0.000009 0.000029 -0.000013 -0.000002 15 C 1 YZ 0.000000 0.000005 -0.000042 -0.000038 0.000022 16 C 2 S 0.000015 0.000038 0.001880 0.000028 0.000019 17 C 2 S -0.000012 0.000043 -0.000121 -0.000044 0.000050 18 C 2 S 0.000172 -0.000846 0.000496 0.000849 -0.000502 19 C 2 X 0.000002 0.000006 -0.000025 -0.000000 0.000014 20 C 2 Y 0.000001 -0.000008 0.000034 0.000004 0.000006 21 C 2 Z -0.000000 -0.000005 -0.000000 -0.000005 -0.000014 22 C 2 X -0.000085 -0.000821 0.001296 -0.000825 -0.000211 23 C 2 Y -0.000043 -0.000203 -0.001130 0.000685 -0.000048 24 C 2 Z 0.000013 -0.000058 -0.000128 -0.000155 0.000064 25 C 2 XX 0.000004 -0.000002 0.000129 0.000024 -0.000008 26 C 2 YY -0.000003 -0.000019 0.000000 -0.000006 -0.000003 27 C 2 ZZ -0.000000 0.000021 -0.000129 -0.000018 0.000011 28 C 2 XY -0.000007 -0.000013 0.000153 -0.000061 0.000016 29 C 2 XZ -0.000000 0.000011 -0.000013 0.000002 0.000014 30 C 2 YZ 0.000002 -0.000006 0.000003 -0.000043 0.000025 31 C 3 S -0.000037 -0.000127 -0.000130 -0.000091 0.000044 32 C 3 S -0.000073 -0.000056 -0.000096 -0.000497 -0.000088 33 C 3 S 0.000800 0.000486 0.000386 0.001771 -0.000048 34 C 3 X 0.000001 0.000000 -0.000004 -0.000053 -0.000030 35 C 3 Y -0.000006 0.000002 0.000024 -0.000073 -0.000046 36 C 3 Z 0.000005 -0.000002 -0.000001 -0.000060 0.000076 37 C 3 X 0.000045 0.001929 0.000038 0.001688 -0.000191 38 C 3 Y 0.000506 0.000201 -0.001730 0.002616 -0.000476 39 C 3 Z -0.000014 0.000334 -0.000060 0.000818 0.000041 40 C 3 XX 0.000017 -0.000008 -0.000039 0.000000 -0.000025 41 C 3 YY 0.000007 0.000041 0.000055 -0.000033 0.000001 42 C 3 ZZ -0.000024 -0.000032 -0.000017 0.000033 0.000024 43 C 3 XY 0.000011 0.000058 0.000012 0.000099 0.000004 44 C 3 XZ 0.000004 0.000028 -0.000005 0.000091 0.000065 45 C 3 YZ -0.000000 0.000018 0.000008 0.000102 0.000008 46 C 4 S 0.000026 0.000215 -0.000088 -0.004464 0.000001 47 C 4 S 0.000040 -0.000020 -0.000138 0.000562 -0.000238 48 C 4 S -0.000553 -0.001649 0.001030 -0.002320 0.000662 49 C 4 X -0.000007 -0.000041 -0.000025 0.000027 0.000004 50 C 4 Y -0.000006 -0.000113 0.000017 0.000111 0.000045 51 C 4 Z 0.000004 -0.000028 0.000013 0.000216 0.000140 52 C 4 X 0.000243 0.001333 -0.000235 0.001627 -0.000328 53 C 4 Y 0.000025 0.000813 -0.000134 -0.000007 0.000395 54 C 4 Z 0.000203 -0.000220 -0.000284 0.001559 -0.001715 55 C 4 XX -0.000017 -0.000026 0.000012 0.000080 -0.000082 56 C 4 YY -0.000002 0.000008 0.000010 0.000028 0.000080 57 C 4 ZZ 0.000019 0.000018 -0.000022 -0.000108 0.000002 58 C 4 XY -0.000030 0.000007 0.000004 -0.000077 0.000005 59 C 4 XZ 0.000000 -0.000008 0.000010 -0.000016 0.000038 60 C 4 YZ 0.000004 -0.000099 -0.000004 -0.000022 -0.000096 61 S 5 S 0.000004 0.000007 -0.000013 -0.000050 -0.000009 62 S 5 S 0.000024 0.000049 -0.000104 -0.000365 -0.000069 63 S 5 S 0.000026 0.000058 -0.000141 -0.000447 -0.000094 64 S 5 S -0.000175 -0.000199 0.000110 0.001010 0.000152 65 S 5 X -0.000003 0.000001 -0.000004 0.000019 0.000022 66 S 5 Y -0.000006 0.000005 0.000034 -0.000025 -0.000014 67 S 5 Z -0.000002 0.000004 0.000000 -0.000032 0.000018 68 S 5 X -0.000009 0.000002 -0.000018 0.000054 0.000078 69 S 5 Y -0.000023 0.000010 0.000113 -0.000080 -0.000052 70 S 5 Z -0.000006 0.000013 0.000002 -0.000099 0.000073 71 S 5 X 0.000079 0.000026 -0.000071 -0.000470 -0.000125 72 S 5 Y 0.000156 -0.000304 -0.000192 -0.000159 -0.000226 73 S 5 Z -0.000005 -0.000071 0.000019 0.000209 0.000075 74 S 5 XX 0.000008 0.000031 0.000044 -0.000003 -0.000017 75 S 5 YY -0.000015 -0.000035 -0.000001 -0.000021 -0.000011 76 S 5 ZZ 0.000006 0.000004 -0.000043 0.000024 0.000028 77 S 5 XY -0.000023 0.000013 0.000058 -0.000008 0.000055 78 S 5 XZ 0.000003 -0.000017 -0.000008 -0.000055 -0.000059 79 S 5 YZ -0.000001 -0.000028 0.000001 0.000044 0.000039 80 S 5 XX -0.000001 -0.000004 -0.000004 0.000001 0.000002 81 S 5 YY 0.000001 0.000004 -0.000004 0.000005 0.000001 82 S 5 ZZ -0.000001 -0.000000 0.000008 -0.000006 -0.000003 83 S 5 XY 0.000002 -0.000002 -0.000008 0.000004 -0.000004 84 S 5 XZ -0.000000 0.000002 0.000001 0.000010 0.000006 85 S 5 YZ -0.000000 0.000004 -0.000000 -0.000008 -0.000004 86 H 6 S -0.000017 -0.000030 -0.000181 -0.000010 -0.000003 87 H 6 S -0.000037 -0.000208 -0.000148 -0.000054 -0.000070 88 H 6 X 0.000003 0.000022 -0.000146 0.000037 0.000002 89 H 6 Y 0.000003 0.000005 0.000006 -0.000001 -0.000009 90 H 6 Z -0.000001 0.000007 0.000004 0.000015 -0.000004 91 C 7 S -0.000053 0.000236 -0.000014 -0.000032 -0.000190 92 C 7 S -0.000059 0.000028 -0.000022 -0.000177 -0.000520 93 C 7 S -0.000269 -0.000479 0.000403 0.000427 0.002415 94 C 7 X 0.000002 -0.000026 -0.000004 -0.000051 -0.000038 95 C 7 Y -0.000026 -0.000006 0.000003 0.000049 0.000050 96 C 7 Z 0.000001 -0.000014 0.000000 -0.000083 0.000058 97 C 7 X 0.000459 -0.000343 -0.000236 -0.000531 0.002277 98 C 7 Y 0.000642 0.000691 -0.000227 -0.000172 -0.001662 99 C 7 Z -0.000106 0.000224 0.000061 0.000003 -0.000979 100 C 7 XX 0.000011 0.000120 0.000011 -0.000022 0.000002 101 C 7 YY 0.000003 -0.000050 -0.000002 0.000004 -0.000049 102 C 7 ZZ -0.000014 -0.000069 -0.000008 0.000019 0.000047 103 C 7 XY -0.000005 0.000104 0.000008 -0.000024 -0.000120 104 C 7 XZ -0.000003 0.000020 -0.000001 -0.000075 -0.000111 105 C 7 YZ 0.000013 0.000000 -0.000003 -0.000028 0.000108 106 C 8 S -0.009067 -0.021180 -0.000010 0.000037 0.000095 107 C 8 S 0.000068 -0.000499 -0.000019 0.000069 0.000138 108 C 8 S 0.000782 0.004360 0.000273 -0.000608 -0.001862 109 C 8 X 0.000002 0.000019 -0.000001 -0.000010 -0.000041 110 C 8 Y 0.000036 0.000112 -0.000005 -0.000003 0.000027 111 C 8 Z 0.000006 -0.000003 -0.000001 0.000011 0.000011 112 C 8 X 0.000590 -0.000151 0.000127 -0.000099 0.000428 113 C 8 Y 0.002596 -0.003567 -0.000178 0.000456 0.001368 114 C 8 Z 0.000331 -0.000465 -0.000017 -0.000045 0.000283 115 C 8 XX 0.000025 -0.000095 -0.000000 0.000005 0.000019 116 C 8 YY -0.000256 -0.000169 0.000009 -0.000031 -0.000063 117 C 8 ZZ 0.000230 0.000264 -0.000008 0.000026 0.000044 118 C 8 XY -0.000242 -0.000043 -0.000006 0.000010 -0.000038 119 C 8 XZ -0.000034 -0.000026 -0.000002 0.000004 0.000002 120 C 8 YZ -0.000079 -0.000037 0.000002 0.000034 -0.000049 121 C 9 S 0.000077 -0.013088 0.000015 0.000043 -0.005783 122 C 9 S -0.000147 0.000240 0.000016 -0.000257 0.000657 123 C 9 S 0.000932 0.001449 -0.000309 0.000975 -0.003724 124 C 9 X -0.000021 0.000154 0.000002 -0.000007 0.000011 125 C 9 Y -0.000019 0.000149 0.000003 -0.000067 -0.000093 126 C 9 Z -0.000009 0.000051 -0.000007 -0.000145 -0.000231 127 C 9 X 0.000564 -0.000633 -0.000112 0.000079 0.000967 128 C 9 Y 0.000059 0.000846 0.000165 -0.000303 -0.001173 129 C 9 Z 0.000171 0.001236 -0.000082 0.002144 -0.001933 130 C 9 XX 0.000036 -0.000011 0.000003 -0.000102 0.000037 131 C 9 YY -0.000016 -0.000095 -0.000003 0.000071 0.000040 132 C 9 ZZ -0.000020 0.000106 -0.000000 0.000031 -0.000076 133 C 9 XY 0.000056 -0.000175 0.000008 -0.000025 0.000013 134 C 9 XZ 0.000009 -0.000045 -0.000002 0.000008 0.000012 135 C 9 YZ -0.000009 -0.000075 0.000007 -0.000091 -0.000025 136 C 10 S -0.000015 -0.000088 0.000002 0.000040 0.000091 137 C 10 S -0.000053 -0.000059 0.000003 -0.000026 0.000068 138 C 10 S 0.000689 0.000677 -0.000626 0.000301 -0.001268 139 C 10 X -0.000014 -0.000001 -0.000004 -0.000024 -0.000012 140 C 10 Y 0.000001 -0.000022 0.000008 0.000014 -0.000007 141 C 10 Z 0.000002 0.000013 -0.000000 -0.000044 0.000032 142 C 10 X 0.000828 -0.000228 -0.000390 0.000144 -0.000341 143 C 10 Y -0.000053 -0.000435 -0.000097 -0.001335 0.001838 144 C 10 Z -0.000105 -0.000108 0.000043 0.000086 0.000165 145 C 10 XX 0.000013 0.000022 -0.000007 -0.000082 -0.000014 146 C 10 YY -0.000002 -0.000033 0.000009 0.000065 -0.000002 147 C 10 ZZ -0.000010 0.000011 -0.000002 0.000017 0.000017 148 C 10 XY 0.000007 -0.000038 -0.000003 0.000024 0.000078 149 C 10 XZ -0.000006 0.000004 0.000005 -0.000020 0.000029 150 C 10 YZ -0.000000 0.000018 0.000003 -0.000016 -0.000002 151 C 11 S 0.000009 -0.000042 0.000018 0.000089 0.000017 152 C 11 S 0.000001 -0.000021 -0.000007 0.000026 -0.000046 153 C 11 S -0.000524 0.000695 0.000272 -0.001413 0.001393 154 C 11 X -0.000004 -0.000004 -0.000003 -0.000023 -0.000010 155 C 11 Y -0.000001 0.000004 -0.000013 -0.000004 -0.000007 156 C 11 Z 0.000001 -0.000008 -0.000002 -0.000044 0.000038 157 C 11 X -0.000451 0.000909 0.000923 -0.000220 0.000067 158 C 11 Y -0.000115 -0.000803 0.000531 -0.001513 0.001336 159 C 11 Z -0.000007 0.000058 0.000050 -0.000103 -0.000052 160 C 11 XX -0.000008 0.000010 0.000023 -0.000026 -0.000056 161 C 11 YY 0.000002 0.000014 -0.000024 0.000009 0.000065 162 C 11 ZZ 0.000005 -0.000024 0.000001 0.000016 -0.000010 163 C 11 XY -0.000009 -0.000033 -0.000013 -0.000075 -0.000050 164 C 11 XZ -0.000005 -0.000000 0.000004 -0.000020 0.000037 165 C 11 YZ 0.000001 0.000013 -0.000000 0.000008 -0.000007 166 C 12 S -0.000020 -0.000002 -0.000006 -0.000050 -0.000005 167 C 12 S -0.000036 -0.000008 -0.000011 -0.000085 -0.000007 168 C 12 S 0.000467 -0.000157 -0.000064 0.000593 -0.000234 169 C 12 X -0.000001 -0.000024 -0.000001 0.000018 -0.000006 170 C 12 Y -0.000006 0.000002 0.000001 -0.000003 -0.000018 171 C 12 Z -0.000001 -0.000002 0.000002 0.000010 -0.000006 172 C 12 X 0.000211 -0.000026 -0.000003 0.000387 0.000049 173 C 12 Y 0.000059 0.000038 0.000040 0.000181 -0.000021 174 C 12 Z -0.000014 0.000088 -0.000021 -0.000288 0.000144 175 C 12 XX -0.000000 -0.000012 0.000004 0.000034 0.000016 176 C 12 YY -0.000003 0.000011 0.000001 -0.000002 -0.000020 177 C 12 ZZ 0.000003 0.000002 -0.000005 -0.000032 0.000005 178 C 12 XY -0.000014 -0.000000 -0.000001 -0.000003 -0.000040 179 C 12 XZ -0.000002 0.000004 0.000003 0.000003 -0.000018 180 C 12 YZ -0.000011 -0.000001 -0.000001 -0.000006 -0.000008 181 C 13 S -0.000004 0.000004 -0.000020 0.000003 -0.000022 182 C 13 S -0.000005 0.000008 -0.000034 0.000001 -0.000034 183 C 13 S 0.000078 -0.000042 0.000315 -0.000094 0.000378 184 C 13 X 0.000004 0.000004 0.000006 -0.000002 0.000011 185 C 13 Y 0.000000 0.000003 -0.000006 -0.000004 0.000006 186 C 13 Z 0.000000 0.000001 0.000000 -0.000016 0.000011 187 C 13 X -0.000014 -0.000023 0.000036 -0.000152 0.000056 188 C 13 Y 0.000013 0.000067 -0.000128 -0.000004 0.000014 189 C 13 Z 0.000027 0.000019 0.000072 0.000262 -0.000021 190 C 13 XX 0.000005 0.000010 0.000008 0.000009 0.000014 191 C 13 YY -0.000000 0.000002 -0.000002 -0.000008 0.000006 192 C 13 ZZ -0.000004 -0.000012 -0.000006 -0.000002 -0.000020 193 C 13 XY 0.000005 -0.000000 -0.000014 -0.000005 0.000013 194 C 13 XZ -0.000000 -0.000005 0.000002 -0.000000 -0.000008 195 C 13 YZ 0.000004 0.000001 -0.000010 0.000000 0.000009 196 C 14 S -0.000009 -0.000025 -0.000024 -0.000032 -0.000007 197 C 14 S -0.000015 -0.000044 -0.000044 -0.000057 -0.000006 198 C 14 S -0.000102 0.000401 0.000604 0.000021 0.000188 199 C 14 X -0.000007 0.000000 -0.000002 -0.000000 0.000015 200 C 14 Y 0.000000 0.000008 0.000014 0.000007 0.000010 201 C 14 Z -0.000001 0.000002 0.000002 0.000015 -0.000002 202 C 14 X -0.000001 0.000047 0.000466 0.000063 0.000238 203 C 14 Y -0.000017 0.000137 -0.000206 0.000114 -0.000175 204 C 14 Z 0.000014 -0.000023 -0.000005 -0.000251 0.000161 205 C 14 XX 0.000004 -0.000011 -0.000001 0.000012 0.000031 206 C 14 YY 0.000000 0.000006 -0.000017 0.000009 -0.000020 207 C 14 ZZ -0.000004 0.000005 0.000018 -0.000021 -0.000011 208 C 14 XY 0.000004 0.000013 0.000031 0.000026 0.000004 209 C 14 XZ -0.000001 -0.000004 -0.000004 0.000021 -0.000001 210 C 14 YZ 0.000000 0.000004 0.000021 0.000026 -0.000005 211 F 15 S 0.000004 0.000005 -0.000000 -0.000013 0.000020 212 F 15 S 0.000007 0.000009 -0.000000 -0.000023 0.000038 213 F 15 S -0.000031 -0.000032 0.000005 0.000097 -0.000116 214 F 15 X 0.000001 -0.000002 -0.000000 0.000008 0.000007 215 F 15 Y 0.000004 0.000001 0.000000 0.000001 0.000001 216 F 15 Z -0.000001 -0.000001 -0.000001 -0.000002 0.000001 217 F 15 X -0.000009 0.000004 -0.000001 -0.000026 -0.000048 218 F 15 Y -0.000019 -0.000002 -0.000002 -0.000017 -0.000003 219 F 15 Z 0.000016 0.000006 0.000000 -0.000015 0.000021 220 F 15 XX 0.000002 -0.000000 -0.000000 -0.000000 -0.000002 221 F 15 YY -0.000000 -0.000000 -0.000000 -0.000002 0.000002 222 F 15 ZZ -0.000001 0.000001 0.000001 0.000002 -0.000000 223 F 15 XY -0.000001 0.000000 -0.000000 -0.000000 -0.000002 224 F 15 XZ 0.000001 0.000000 -0.000000 -0.000001 0.000003 225 F 15 YZ 0.000001 -0.000000 -0.000000 0.000002 -0.000000 226 F 16 S 0.000008 -0.000005 0.000002 0.000021 -0.000001 227 F 16 S 0.000015 -0.000009 0.000003 0.000039 -0.000002 228 F 16 S -0.000072 0.000029 -0.000015 -0.000171 0.000016 229 F 16 X -0.000003 -0.000002 0.000001 0.000001 0.000002 230 F 16 Y -0.000002 0.000000 0.000001 0.000001 -0.000001 231 F 16 Z 0.000001 0.000001 0.000000 -0.000004 0.000002 232 F 16 X -0.000005 0.000009 -0.000007 -0.000028 -0.000028 233 F 16 Y 0.000028 -0.000006 0.000000 0.000034 0.000003 234 F 16 Z -0.000020 -0.000010 -0.000003 0.000002 -0.000013 235 F 16 XX 0.000002 0.000000 0.000000 0.000002 -0.000000 236 F 16 YY -0.000002 0.000000 0.000000 -0.000001 0.000000 237 F 16 ZZ -0.000001 -0.000001 -0.000000 -0.000001 -0.000000 238 F 16 XY 0.000001 0.000001 0.000001 0.000001 0.000002 239 F 16 XZ -0.000001 -0.000000 -0.000000 -0.000001 -0.000001 240 F 16 YZ 0.000001 0.000001 0.000000 -0.000002 0.000001 241 F 17 S -0.000000 0.000004 0.000019 0.000019 -0.000007 242 F 17 S -0.000000 0.000007 0.000033 0.000034 -0.000013 243 F 17 S 0.000001 -0.000033 -0.000154 -0.000131 0.000034 244 F 17 X 0.000001 0.000001 -0.000005 0.000004 -0.000001 245 F 17 Y 0.000000 0.000001 0.000002 0.000003 -0.000003 246 F 17 Z 0.000000 -0.000001 0.000002 -0.000007 0.000005 247 F 17 X -0.000006 -0.000010 -0.000007 -0.000041 0.000009 248 F 17 Y -0.000000 -0.000023 -0.000037 -0.000060 0.000038 249 F 17 Z -0.000002 -0.000007 -0.000048 0.000010 -0.000022 250 F 17 XX -0.000000 0.000001 0.000004 0.000000 0.000002 251 F 17 YY 0.000000 -0.000001 -0.000002 -0.000003 0.000002 252 F 17 ZZ -0.000000 -0.000000 -0.000003 0.000003 -0.000004 253 F 17 XY -0.000001 -0.000001 -0.000001 -0.000003 0.000002 254 F 17 XZ -0.000000 -0.000000 -0.000001 -0.000001 0.000001 255 F 17 YZ 0.000000 -0.000002 -0.000002 -0.000003 0.000003 256 F 18 S 0.000003 0.000006 0.000009 -0.000016 0.000016 257 F 18 S 0.000006 0.000010 0.000017 -0.000029 0.000030 258 F 18 S -0.000018 -0.000037 -0.000065 0.000121 -0.000105 259 F 18 X 0.000001 0.000001 0.000004 0.000003 0.000002 260 F 18 Y 0.000000 0.000001 -0.000007 0.000002 -0.000001 261 F 18 Z -0.000000 -0.000000 -0.000003 -0.000003 -0.000000 262 F 18 X -0.000007 -0.000010 -0.000036 -0.000007 -0.000022 263 F 18 Y -0.000004 -0.000014 0.000034 0.000004 0.000002 264 F 18 Z 0.000003 0.000017 0.000036 -0.000020 0.000019 265 F 18 XX -0.000001 -0.000000 0.000002 -0.000004 0.000002 266 F 18 YY 0.000000 0.000001 0.000001 0.000001 -0.000002 267 F 18 ZZ 0.000001 -0.000001 -0.000003 0.000003 0.000000 268 F 18 XY -0.000000 0.000000 0.000002 0.000002 -0.000000 269 F 18 XZ 0.000000 0.000001 0.000003 -0.000001 0.000001 270 F 18 YZ -0.000000 0.000001 -0.000001 -0.000001 -0.000001 271 C 19 S 1.002289 0.013720 0.000011 0.000000 -0.000004 272 C 19 S 0.004946 -0.000056 -0.000007 0.000007 -0.000021 273 C 19 S -0.010355 0.001246 0.000014 -0.000071 -0.000383 274 C 19 X -0.000110 -0.000019 0.000002 -0.000004 -0.000011 275 C 19 Y -0.000093 -0.000042 0.000003 -0.000003 -0.000003 276 C 19 Z -0.000029 -0.000005 0.000001 -0.000008 -0.000003 277 C 19 X 0.000931 -0.000565 -0.000035 0.000082 0.000119 278 C 19 Y 0.000991 -0.000391 0.000009 0.000008 -0.000008 279 C 19 Z 0.000167 -0.000090 -0.000006 0.000072 0.000062 280 C 19 XX -0.000009 0.000051 0.000007 -0.000010 -0.000011 281 C 19 YY -0.000075 0.000050 -0.000003 0.000005 0.000029 282 C 19 ZZ 0.000084 -0.000101 -0.000003 0.000005 -0.000018 283 C 19 XY -0.000129 0.000044 0.000001 -0.000002 0.000024 284 C 19 XZ -0.000020 0.000016 0.000001 0.000002 0.000002 285 C 19 YZ -0.000029 0.000022 -0.000001 0.000004 0.000016 286 H 20 S 0.000158 -0.000058 -0.000001 0.000001 -0.000008 287 H 20 S 0.001012 0.000101 0.000017 -0.000044 0.000012 288 H 20 X 0.000373 0.000031 0.000002 -0.000001 -0.000014 289 H 20 Y -0.000121 0.000027 0.000000 -0.000002 -0.000008 290 H 20 Z 0.000002 0.000006 0.000001 -0.000008 -0.000006 291 H 21 S 0.000173 -0.000025 -0.000000 0.000013 0.000022 292 H 21 S 0.001227 0.000030 -0.000006 0.000007 0.000064 293 H 21 X -0.000112 0.000009 0.000000 0.000004 0.000001 294 H 21 Y 0.000226 -0.000023 -0.000002 0.000006 0.000000 295 H 21 Z -0.000321 -0.000007 -0.000000 -0.000002 0.000014 296 C 22 S -0.000020 0.000001 1.002343 -0.000005 0.000006 297 C 22 S -0.000011 0.000003 0.004933 -0.000028 0.000014 298 C 22 S 0.000072 0.000055 -0.010250 0.000018 -0.000115 299 C 22 X 0.000000 0.000001 -0.000025 -0.000008 -0.000001 300 C 22 Y -0.000002 0.000002 0.000111 0.000010 -0.000002 301 C 22 Z -0.000000 0.000003 -0.000001 -0.000000 0.000005 302 C 22 X -0.000038 0.000037 0.000377 0.000108 0.000099 303 C 22 Y 0.000031 0.000034 -0.001283 0.000127 -0.000011 304 C 22 Z 0.000006 -0.000045 -0.000094 0.000072 -0.000083 305 C 22 XX 0.000003 -0.000002 0.000045 -0.000011 -0.000006 306 C 22 YY -0.000005 0.000006 -0.000132 0.000032 0.000006 307 C 22 ZZ 0.000001 -0.000004 0.000088 -0.000021 -0.000000 308 C 22 XY -0.000005 0.000005 0.000104 -0.000010 0.000008 309 C 22 XZ -0.000001 -0.000002 0.000005 0.000005 -0.000009 310 C 22 YZ 0.000000 -0.000001 -0.000016 -0.000001 0.000002 311 H 23 S 0.000001 -0.000007 0.000149 -0.000001 0.000007 312 H 23 S 0.000008 0.000030 0.001001 0.000096 0.000034 313 H 23 X 0.000001 -0.000000 -0.000299 0.000002 0.000001 314 H 23 Y 0.000005 -0.000004 -0.000268 -0.000004 -0.000004 315 H 23 Z -0.000000 0.000005 -0.000004 -0.000004 0.000007 316 H 24 S -0.000006 0.000015 0.000172 -0.000009 0.000023 317 H 24 S 0.000010 -0.000006 0.001226 -0.000091 0.000001 318 H 24 X 0.000002 -0.000003 0.000235 0.000001 -0.000010 319 H 24 Y -0.000002 0.000001 -0.000007 -0.000004 -0.000002 320 H 24 Z -0.000001 0.000002 0.000330 0.000006 0.000002 321 H 25 S -0.000005 -0.000002 0.000162 -0.000002 -0.000011 322 H 25 S 0.000010 -0.000028 0.001212 0.000042 -0.000050 323 H 25 X 0.000002 -0.000001 0.000217 -0.000014 -0.000001 324 H 25 Y -0.000002 0.000006 0.000031 -0.000000 0.000005 325 H 25 Z 0.000000 -0.000001 -0.000349 0.000005 -0.000004 326 C 26 S -0.000005 -0.000765 0.000007 0.000211 1.002538 327 C 26 S -0.000005 -0.000531 0.000009 -0.000163 0.005139 328 C 26 S 0.000000 0.001687 -0.000001 0.001418 -0.009906 329 C 26 X -0.000004 -0.000088 0.000000 -0.000008 -0.000018 330 C 26 Y 0.000001 -0.000101 -0.000000 0.000009 0.000055 331 C 26 Z -0.000006 -0.000065 0.000005 0.000028 0.000139 332 C 26 X -0.000094 0.000923 0.000003 0.000116 0.000003 333 C 26 Y -0.000005 0.000991 -0.000028 0.000176 -0.000176 334 C 26 Z -0.000026 0.001013 -0.000010 0.000764 -0.001464 335 C 26 XX 0.000003 -0.000046 -0.000001 -0.000039 0.000146 336 C 26 YY -0.000002 0.000014 -0.000003 -0.000013 0.000129 337 C 26 ZZ -0.000001 0.000032 0.000004 0.000051 -0.000275 338 C 26 XY -0.000002 0.000106 0.000004 -0.000014 -0.000007 339 C 26 XZ -0.000020 0.000120 0.000002 0.000005 -0.000032 340 C 26 YZ -0.000010 0.000086 -0.000001 -0.000014 -0.000055 341 H 27 S 0.000004 0.000025 0.000006 -0.000056 0.000200 342 H 27 S -0.000030 0.000720 -0.000020 0.000162 0.001107 343 H 27 X 0.000001 -0.000006 -0.000002 0.000013 -0.000319 344 H 27 Y 0.000004 -0.000010 -0.000003 0.000009 -0.000264 345 H 27 Z 0.000006 -0.000030 0.000005 -0.000019 -0.000003 346 H 28 S 0.000012 -0.000270 0.000002 -0.000058 0.000197 347 H 28 S -0.000056 -0.000065 0.000006 0.000068 0.001002 348 H 28 X 0.000004 -0.000071 -0.000001 -0.000014 -0.000079 349 H 28 Y 0.000010 -0.000053 0.000000 0.000012 0.000401 350 H 28 Z -0.000004 -0.000026 0.000000 0.000016 -0.000123 351 H 29 S -0.000004 -0.000185 0.000006 -0.000081 0.000161 352 H 29 S 0.000062 -0.000122 -0.000009 0.000041 0.001028 353 H 29 X 0.000004 -0.000097 0.000002 -0.000007 0.000399 354 H 29 Y 0.000008 -0.000097 -0.000002 -0.000002 -0.000154 355 H 29 Z 0.000000 -0.000038 0.000005 -0.000015 -0.000052 356 C 30 S 0.000018 -0.000269 -0.000024 1.002521 -0.000401 357 C 30 S 0.000021 -0.000139 -0.000020 0.005102 -0.000165 358 C 30 S -0.000078 0.000178 0.000123 -0.009760 0.001260 359 C 30 X -0.000002 -0.000026 -0.000001 -0.000028 -0.000003 360 C 30 Y 0.000002 -0.000079 0.000000 -0.000021 -0.000008 361 C 30 Z -0.000002 0.000054 0.000002 -0.000139 -0.000023 362 C 30 X 0.000007 -0.000300 -0.000002 0.000095 0.000023 363 C 30 Y 0.000006 0.000487 -0.000021 0.000211 -0.000166 364 C 30 Z 0.000067 -0.000520 0.000003 0.001319 -0.000693 365 C 30 XX 0.000001 0.000030 0.000008 0.000134 -0.000044 366 C 30 YY 0.000003 -0.000052 -0.000005 0.000115 -0.000009 367 C 30 ZZ -0.000004 0.000022 -0.000003 -0.000250 0.000052 368 C 30 XY 0.000002 0.000012 0.000003 -0.000010 0.000003 369 C 30 XZ 0.000008 0.000049 0.000008 0.000020 0.000006 370 C 30 YZ -0.000001 0.000083 -0.000004 -0.000092 -0.000015 371 H 31 S -0.000000 0.000186 0.000007 0.000160 -0.000061 372 H 31 S -0.000008 0.000385 -0.000075 0.001038 0.000047 373 H 31 X -0.000002 0.000005 0.000002 0.000009 -0.000004 374 H 31 Y -0.000002 0.000061 -0.000011 -0.000407 -0.000014 375 H 31 Z -0.000002 -0.000035 0.000005 0.000143 -0.000009 376 H 32 S 0.000016 -0.000112 -0.000003 0.000228 -0.000059 377 H 32 S -0.000009 -0.000230 0.000001 0.001142 0.000119 378 H 32 X 0.000002 -0.000039 -0.000001 -0.000356 0.000013 379 H 32 Y 0.000001 -0.000062 -0.000003 0.000187 -0.000002 380 H 32 Z -0.000006 0.000067 -0.000002 0.000020 0.000021 381 H 33 S 0.000009 -0.000189 -0.000009 0.000148 -0.000064 382 H 33 S -0.000039 0.000385 0.000015 0.001060 0.000079 383 H 33 X 0.000007 -0.000009 0.000003 0.000353 -0.000009 384 H 33 Y 0.000007 0.000000 0.000001 0.000241 -0.000001 385 H 33 Z -0.000003 -0.000007 -0.000006 0.000021 0.000012 386 H 34 S 0.000176 -0.000014 0.000002 -0.000013 -0.000007 387 H 34 S 0.001213 0.000068 0.000001 -0.000021 -0.000049 388 H 34 X -0.000140 0.000007 0.000001 -0.000007 0.000004 389 H 34 Y 0.000151 -0.000034 -0.000003 0.000004 0.000027 390 H 34 Z 0.000346 0.000001 -0.000001 0.000001 -0.000002 391 F 35 S 0.000003 0.000004 0.000005 0.000008 0.000006 392 F 35 S 0.000005 0.000007 0.000008 0.000014 0.000010 393 F 35 S -0.000021 -0.000019 -0.000042 -0.000075 -0.000044 394 F 35 X -0.000000 0.000000 0.000000 -0.000002 -0.000000 395 F 35 Y -0.000001 0.000002 0.000000 -0.000003 0.000002 396 F 35 Z -0.000000 0.000002 0.000000 0.000003 -0.000000 397 F 35 X -0.000006 -0.000009 -0.000015 -0.000009 -0.000020 398 F 35 Y 0.000003 -0.000011 -0.000001 0.000012 -0.000013 399 F 35 Z 0.000004 -0.000005 0.000004 -0.000016 0.000014 400 F 35 XX -0.000001 -0.000001 -0.000001 -0.000001 -0.000002 401 F 35 YY 0.000001 0.000000 0.000001 0.000000 0.000002 402 F 35 ZZ -0.000000 0.000001 -0.000000 0.000001 -0.000001 403 F 35 XY 0.000000 -0.000001 -0.000001 0.000001 -0.000001 404 F 35 XZ 0.000001 0.000000 0.000001 -0.000001 0.000002 405 F 35 YZ 0.000000 0.000001 -0.000000 0.000001 0.000000 406 F 36 S -0.000000 -0.000004 0.000002 -0.000012 0.000004 407 F 36 S -0.000001 -0.000007 0.000004 -0.000022 0.000008 408 F 36 S 0.000005 0.000029 -0.000010 0.000119 -0.000042 409 F 36 X -0.000001 0.000001 -0.000000 0.000004 -0.000001 410 F 36 Y 0.000001 -0.000000 -0.000002 0.000001 -0.000000 411 F 36 Z 0.000001 -0.000001 0.000002 0.000004 -0.000002 412 F 36 X 0.000004 -0.000001 0.000000 -0.000011 0.000006 413 F 36 Y -0.000003 -0.000002 0.000013 -0.000007 -0.000001 414 F 36 Z -0.000001 0.000015 -0.000011 0.000012 0.000001 415 F 36 XX -0.000000 -0.000001 0.000000 0.000001 -0.000002 416 F 36 YY -0.000000 -0.000001 0.000000 -0.000001 -0.000000 417 F 36 ZZ 0.000000 0.000002 -0.000000 -0.000000 0.000002 418 F 36 XY 0.000000 0.000001 -0.000000 0.000000 0.000000 419 F 36 XZ 0.000000 0.000000 0.000000 -0.000001 0.000001 420 F 36 YZ -0.000000 -0.000000 0.000000 -0.000000 -0.000000 421 C 37 S -0.014064 1.002061 -0.000001 0.000151 0.000088 422 C 37 S -0.000226 0.004965 -0.000003 -0.000107 -0.000545 423 C 37 S 0.001610 -0.011877 -0.000187 0.000261 0.003540 424 C 37 X -0.000025 -0.000091 0.000001 0.000045 0.000042 425 C 37 Y -0.000035 -0.000139 0.000004 0.000057 0.000028 426 C 37 Z 0.000001 -0.000110 0.000002 -0.000077 0.000048 427 C 37 X -0.000055 0.002979 -0.000020 -0.000179 -0.001946 428 C 37 Y 0.001475 -0.001104 -0.000299 0.000554 0.000075 429 C 37 Z 0.000175 0.000021 -0.000020 -0.000054 -0.000416 430 C 37 XX 0.000147 0.000385 0.000004 -0.000046 -0.000009 431 C 37 YY -0.000019 0.000066 -0.000005 0.000016 0.000011 432 C 37 ZZ -0.000129 -0.000450 0.000001 0.000030 -0.000002 433 C 37 XY -0.000152 -0.000295 0.000010 -0.000012 0.000037 434 C 37 XZ -0.000013 -0.000014 -0.000003 0.000068 0.000062 435 C 37 YZ 0.000007 0.000113 -0.000004 0.000059 0.000091 436 S 38 S -0.000012 -0.000008 -0.000001 0.000000 -0.000012 437 S 38 S -0.000091 -0.000065 -0.000011 0.000003 -0.000088 438 S 38 S -0.000125 -0.000077 -0.000013 0.000008 -0.000101 439 S 38 S -0.000052 -0.000423 0.000112 0.000063 0.000845 440 S 38 X -0.000025 -0.000032 0.000000 0.000008 0.000007 441 S 38 Y -0.000016 0.000015 -0.000002 -0.000004 0.000002 442 S 38 Z -0.000003 -0.000002 -0.000000 0.000005 0.000002 443 S 38 X -0.000084 -0.000089 0.000001 0.000024 0.000016 444 S 38 Y -0.000060 0.000035 -0.000006 -0.000014 0.000007 445 S 38 Z -0.000010 -0.000011 -0.000001 0.000020 0.000015 446 S 38 X 0.000215 0.000074 0.000046 -0.000012 -0.000073 447 S 38 Y 0.000116 0.000362 -0.000006 -0.000078 -0.000386 448 S 38 Z 0.000013 0.000008 -0.000003 -0.000049 0.000153 449 S 38 XX 0.000056 0.000035 0.000001 -0.000000 0.000058 450 S 38 YY -0.000010 0.000025 0.000000 0.000000 -0.000020 451 S 38 ZZ -0.000046 -0.000061 -0.000002 -0.000000 -0.000038 452 S 38 XY -0.000046 0.000014 0.000001 -0.000020 0.000064 453 S 38 XZ -0.000004 0.000005 0.000002 -0.000012 -0.000009 454 S 38 YZ 0.000002 0.000038 0.000003 0.000022 -0.000084 455 S 38 XX -0.000010 -0.000008 -0.000000 0.000000 -0.000005 456 S 38 YY 0.000001 -0.000003 0.000000 -0.000000 0.000001 457 S 38 ZZ 0.000009 0.000011 0.000000 -0.000000 0.000004 458 S 38 XY 0.000004 0.000000 -0.000000 0.000002 -0.000007 459 S 38 XZ -0.000000 -0.000001 -0.000000 0.000002 0.000002 460 S 38 YZ -0.000001 -0.000005 -0.000000 -0.000003 0.000010 461 H 39 S -0.000193 -0.000462 -0.000012 0.000071 0.000001 462 H 39 S -0.000078 0.000352 0.000045 0.000023 0.000438 463 H 39 X 0.000068 0.000538 -0.000005 -0.000003 0.000046 464 H 39 Y -0.000114 -0.000115 0.000015 0.000005 0.000059 465 H 39 Z -0.000014 -0.000047 0.000002 -0.000036 0.000071 26 27 28 29 30 -8.9971 -8.9748 -6.6787 -6.6775 -6.6755 A A A A A 1 C 1 S -0.000038 -0.000357 0.000012 -0.000002 -0.000000 2 C 1 S -0.000065 -0.000480 0.000021 -0.000003 -0.000000 3 C 1 S 0.000176 0.003494 -0.000209 -0.000004 -0.000027 4 C 1 X -0.000010 -0.000087 0.000003 0.000001 0.000001 5 C 1 Y -0.000020 -0.000150 -0.000000 -0.000003 -0.000001 6 C 1 Z -0.000010 0.000033 0.000000 0.000001 0.000002 7 C 1 X 0.000032 0.001834 0.000078 -0.000050 0.000011 8 C 1 Y 0.000580 0.005679 -0.000101 0.000045 0.000015 9 C 1 Z 0.000062 0.000055 -0.000004 -0.000001 0.000003 10 C 1 XX 0.000005 -0.000080 -0.000006 0.000003 -0.000001 11 C 1 YY 0.000020 -0.000215 -0.000000 0.000000 0.000001 12 C 1 ZZ -0.000025 0.000295 0.000007 -0.000003 -0.000000 13 C 1 XY 0.000003 -0.000503 0.000001 -0.000002 -0.000000 14 C 1 XZ -0.000003 0.000021 0.000001 0.000001 -0.000000 15 C 1 YZ 0.000003 0.000038 -0.000001 -0.000000 0.000001 16 C 2 S -0.000020 -0.000160 0.000000 0.000000 -0.000001 17 C 2 S -0.000039 -0.000299 0.000002 -0.000001 -0.000001 18 C 2 S -0.000357 -0.001583 0.000034 -0.000017 0.000021 19 C 2 X 0.000009 -0.000145 -0.000005 -0.000002 -0.000001 20 C 2 Y -0.000028 -0.000053 0.000001 -0.000002 0.000001 21 C 2 Z 0.000001 0.000049 -0.000000 0.000001 0.000003 22 C 2 X 0.000237 0.000489 0.000106 0.000006 0.000039 23 C 2 Y -0.000285 -0.002874 0.000004 0.000010 0.000004 24 C 2 Z -0.000023 -0.000207 -0.000016 0.000015 0.000002 25 C 2 XX -0.000005 0.000030 0.000005 -0.000001 -0.000000 26 C 2 YY 0.000008 0.000139 0.000001 -0.000001 0.000001 27 C 2 ZZ -0.000004 -0.000169 -0.000006 0.000001 -0.000000 28 C 2 XY 0.000024 -0.000198 -0.000007 0.000002 -0.000000 29 C 2 XZ 0.000010 -0.000024 -0.000004 -0.000000 0.000001 30 C 2 YZ 0.000002 0.000046 -0.000001 0.000002 0.000001 31 C 3 S -0.000069 -0.000099 0.000044 -0.000002 -0.000000 32 C 3 S -0.000120 -0.000194 0.000074 -0.000003 -0.000001 33 C 3 S 0.002435 -0.000457 -0.000766 0.000360 0.000013 34 C 3 X 0.000024 -0.000103 0.000003 0.000002 -0.000004 35 C 3 Y 0.000025 0.000046 0.000005 0.000003 -0.000002 36 C 3 Z -0.000014 0.000058 -0.000006 0.000002 0.000006 37 C 3 X -0.001638 0.001270 0.000532 -0.000154 -0.000108 38 C 3 Y -0.000223 -0.003295 -0.000243 0.000134 -0.000013 39 C 3 Z -0.000111 -0.000195 0.000030 -0.000059 0.000014 40 C 3 XX 0.000002 0.000139 -0.000008 -0.000003 -0.000000 41 C 3 YY 0.000014 -0.000036 -0.000010 0.000002 -0.000002 42 C 3 ZZ -0.000016 -0.000103 0.000018 0.000000 0.000002 43 C 3 XY -0.000036 -0.000089 0.000005 -0.000008 -0.000005 44 C 3 XZ -0.000004 -0.000056 -0.000008 -0.000005 -0.000002 45 C 3 YZ -0.000012 0.000039 0.000002 -0.000000 -0.000003 46 C 4 S -0.000133 -0.000005 -0.000012 -0.000004 -0.000014 47 C 4 S -0.000226 0.000147 -0.000021 -0.000008 -0.000024 48 C 4 S 0.001752 0.002786 -0.000124 -0.000173 0.000211 49 C 4 X -0.000010 0.000169 0.000012 0.000007 0.000005 50 C 4 Y -0.000036 -0.000211 -0.000025 -0.000014 0.000002 51 C 4 Z -0.000020 -0.000107 -0.000005 0.000001 -0.000003 52 C 4 X -0.000247 -0.000089 -0.000084 0.000006 -0.000101 53 C 4 Y 0.000433 -0.000742 0.000277 -0.000035 0.000049 54 C 4 Z -0.000051 -0.002907 0.000309 0.000207 -0.000123 55 C 4 XX -0.000024 -0.000043 0.000003 -0.000003 -0.000002 56 C 4 YY 0.000069 0.000002 0.000004 0.000008 0.000005 57 C 4 ZZ -0.000044 0.000040 -0.000008 -0.000005 -0.000003 58 C 4 XY 0.000009 0.000194 0.000003 0.000005 0.000002 59 C 4 XZ -0.000023 0.000076 -0.000012 -0.000009 0.000004 60 C 4 YZ -0.000031 -0.000140 0.000004 0.000010 -0.000011 61 S 5 S 0.000005 0.000575 -0.000006 0.000000 -0.000000 62 S 5 S 0.000034 1.007276 -0.000040 0.000003 -0.000003 63 S 5 S 0.000037 0.005827 -0.000045 0.000004 -0.000003 64 S 5 S -0.000280 -0.021889 0.000245 0.000017 0.000014 65 S 5 X 0.000001 -0.005456 -0.000007 -0.000002 0.000001 66 S 5 Y -0.000007 -0.001047 0.000002 0.000003 -0.000000 67 S 5 Z -0.000003 0.000851 0.000001 0.000000 0.000000 68 S 5 X 0.000002 -0.001782 -0.000013 -0.000006 0.000000 69 S 5 Y -0.000025 0.000028 0.000003 0.000009 0.000000 70 S 5 Z -0.000012 0.000336 0.000003 -0.000000 0.000003 71 S 5 X 0.000133 0.006063 -0.000114 -0.000005 -0.000003 72 S 5 Y 0.000277 0.001268 0.000030 -0.000022 0.000010 73 S 5 Z -0.000008 -0.000699 0.000005 -0.000010 0.000013 74 S 5 XX 0.000003 -0.000351 0.000011 0.000006 -0.000002 75 S 5 YY -0.000003 -0.000197 0.000001 -0.000004 0.000001 76 S 5 ZZ -0.000001 0.000548 -0.000012 -0.000002 0.000002 77 S 5 XY -0.000034 -0.000031 -0.000008 0.000000 -0.000001 78 S 5 XZ 0.000006 0.000123 -0.000002 0.000003 -0.000005 79 S 5 YZ -0.000014 -0.000023 -0.000002 0.000001 0.000003 80 S 5 XX -0.000000 0.000110 -0.000001 -0.000001 0.000000 81 S 5 YY -0.000001 0.000604 -0.000000 0.000000 -0.000000 82 S 5 ZZ 0.000001 -0.000714 0.000001 0.000000 -0.000000 83 S 5 XY 0.000004 -0.000079 0.000001 -0.000000 0.000000 84 S 5 XZ -0.000000 -0.000225 0.000000 -0.000000 0.000000 85 S 5 YZ 0.000002 0.000186 0.000000 -0.000000 -0.000000 86 H 6 S -0.000007 -0.000119 0.000012 0.000003 0.000003 87 H 6 S 0.000009 -0.000526 0.000033 0.000012 0.000010 88 H 6 X -0.000010 -0.000047 -0.000003 0.000000 -0.000001 89 H 6 Y -0.000000 0.000102 0.000004 0.000001 0.000000 90 H 6 Z 0.000002 0.000015 0.000001 -0.000001 0.000000 91 C 7 S -0.000053 -0.000206 0.000098 0.000106 0.000003 92 C 7 S 0.000047 -0.000343 -0.000203 -0.000151 0.000008 93 C 7 S -0.002362 0.003906 -0.000294 -0.001251 -0.000184 94 C 7 X 0.000043 0.000005 0.000023 -0.000063 -0.000001 95 C 7 Y -0.000128 0.000009 -0.000322 -0.000266 0.000007 96 C 7 Z -0.000046 -0.000013 -0.000010 0.000003 0.000059 97 C 7 X 0.001800 0.001481 -0.000208 0.001065 0.000071 98 C 7 Y 0.007318 -0.002330 0.001763 0.000959 -0.000007 99 C 7 Z 0.000351 -0.000446 0.000185 -0.000240 -0.000119 100 C 7 XX 0.000202 0.000088 0.000105 0.000146 -0.000008 101 C 7 YY -0.000694 0.000043 -0.000109 -0.000199 0.000002 102 C 7 ZZ 0.000492 -0.000131 0.000004 0.000053 0.000006 103 C 7 XY -0.000212 -0.000105 -0.000016 -0.000064 -0.000016 104 C 7 XZ 0.000070 -0.000081 -0.000019 -0.000021 0.000007 105 C 7 YZ -0.000016 0.000017 -0.000007 0.000010 0.000063 106 C 8 S -0.000252 -0.000025 -0.000040 0.000086 0.000003 107 C 8 S -0.000307 -0.000038 0.000182 -0.000154 0.000008 108 C 8 S 0.003445 0.000762 -0.000151 0.000040 0.000038 109 C 8 X 0.000084 0.000038 -0.000213 0.000264 -0.000008 110 C 8 Y -0.000069 -0.000047 0.000052 0.000013 -0.000003 111 C 8 Z -0.000056 0.000018 0.000002 0.000017 0.000049 112 C 8 X -0.004628 -0.000089 0.000556 -0.000138 0.000073 113 C 8 Y 0.000052 -0.000866 -0.000131 -0.000386 0.000004 114 C 8 Z 0.000058 -0.000212 -0.000015 -0.000088 -0.000059 115 C 8 XX -0.000548 -0.000014 0.000057 -0.000168 -0.000001 116 C 8 YY 0.000216 0.000057 -0.000093 0.000154 0.000001 117 C 8 ZZ 0.000332 -0.000043 0.000036 0.000014 0.000001 118 C 8 XY 0.000063 -0.000051 -0.000027 0.000037 -0.000004 119 C 8 XZ -0.000022 0.000002 -0.000001 -0.000003 -0.000036 120 C 8 YZ -0.000002 0.000008 -0.000017 0.000020 0.000002 121 C 9 S -0.000289 0.000072 -0.000007 -0.000009 -0.000007 122 C 9 S -0.000552 0.000073 -0.000015 -0.000025 -0.000015 123 C 9 S 0.002625 -0.003426 0.000152 0.000089 -0.000033 124 C 9 X 0.000022 -0.000139 0.000012 0.000034 0.000006 125 C 9 Y -0.000126 0.000168 0.000010 -0.000020 -0.000014 126 C 9 Z 0.000077 0.000035 0.000005 -0.000018 0.000004 127 C 9 X -0.001030 0.003424 -0.000801 -0.000005 0.000063 128 C 9 Y 0.001463 0.000624 -0.000643 -0.000508 0.000215 129 C 9 Z 0.000117 -0.000119 -0.000240 -0.000041 -0.000059 130 C 9 XX 0.000234 -0.000023 0.000034 0.000004 -0.000005 131 C 9 YY -0.000041 0.000007 -0.000052 -0.000033 0.000001 132 C 9 ZZ -0.000193 0.000016 0.000018 0.000029 0.000004 133 C 9 XY 0.000092 0.000083 0.000018 0.000064 0.000004 134 C 9 XZ -0.000079 0.000026 -0.000011 0.000001 -0.000005 135 C 9 YZ -0.000008 -0.000109 -0.000014 -0.000018 0.000015 136 C 10 S -0.000037 0.000052 -0.000025 -0.000056 0.000003 137 C 10 S -0.000069 0.000083 -0.000038 -0.000087 0.000007 138 C 10 S 0.001982 -0.002379 0.001330 0.001515 0.000074 139 C 10 X -0.000016 -0.000030 -0.000005 0.000002 0.000007 140 C 10 Y -0.000039 -0.000016 0.000034 0.000006 0.000006 141 C 10 Z -0.000011 0.000014 0.000005 -0.000004 0.000003 142 C 10 X 0.005917 -0.001156 0.000745 0.001272 0.000143 143 C 10 Y 0.001823 0.000962 -0.001438 0.000283 0.000071 144 C 10 Z -0.001061 0.000043 -0.000215 -0.000166 0.000056 145 C 10 XX 0.000415 -0.000023 0.000061 0.000083 0.000009 146 C 10 YY -0.000306 0.000010 -0.000052 -0.000051 0.000000 147 C 10 ZZ -0.000109 0.000013 -0.000008 -0.000032 -0.000010 148 C 10 XY -0.000006 0.000028 -0.000050 -0.000015 0.000010 149 C 10 XZ -0.000160 0.000010 -0.000016 -0.000018 0.000017 150 C 10 YZ -0.000023 0.000023 0.000009 0.000002 0.000006 151 C 11 S -0.000060 -0.000160 0.000039 0.000014 0.000004 152 C 11 S -0.000097 -0.000277 0.000066 0.000021 0.000007 153 C 11 S -0.000359 0.003296 -0.000843 -0.000399 -0.000058 154 C 11 X 0.000001 -0.000058 -0.000010 0.000001 0.000001 155 C 11 Y 0.000000 0.000038 -0.000016 -0.000005 0.000001 156 C 11 Z 0.000015 -0.000030 0.000001 -0.000002 0.000010 157 C 11 X -0.002304 0.002205 0.000642 -0.000479 -0.000097 158 C 11 Y 0.002194 0.001018 -0.001079 -0.000077 0.000037 159 C 11 Z 0.000040 0.000312 0.000047 0.000038 -0.000045 160 C 11 XX -0.000056 0.000051 0.000021 -0.000006 -0.000003 161 C 11 YY 0.000120 0.000001 -0.000032 -0.000001 -0.000000 162 C 11 ZZ -0.000064 -0.000052 0.000011 0.000007 0.000003 163 C 11 XY -0.000103 0.000023 -0.000038 -0.000035 0.000000 164 C 11 XZ -0.000030 0.000002 -0.000000 -0.000002 -0.000002 165 C 11 YZ 0.000041 0.000016 0.000003 0.000007 -0.000003 166 C 12 S -0.000137 -0.000037 -0.000040 -0.000031 -0.000005 167 C 12 S -0.000258 -0.000064 -0.000068 -0.000057 -0.000009 168 C 12 S 0.003325 -0.000272 0.000802 0.000570 0.000092 169 C 12 X -0.000057 -0.000008 0.000010 -0.000017 0.000001 170 C 12 Y -0.000023 -0.000008 0.000024 -0.000001 -0.000000 171 C 12 Z 0.000001 0.000009 -0.000005 0.000000 0.000001 172 C 12 X 0.001134 0.000212 0.000201 0.000141 0.000006 173 C 12 Y -0.000323 0.000153 -0.000206 -0.000040 -0.000016 174 C 12 Z -0.000003 -0.000011 0.000020 -0.000001 -0.000029 175 C 12 XX -0.000104 0.000025 -0.000002 -0.000019 -0.000000 176 C 12 YY 0.000009 0.000004 -0.000003 0.000009 0.000001 177 C 12 ZZ 0.000094 -0.000029 0.000005 0.000010 -0.000001 178 C 12 XY -0.000100 -0.000042 0.000061 0.000003 0.000002 179 C 12 XZ -0.000003 0.000008 -0.000005 0.000002 0.000002 180 C 12 YZ -0.000059 -0.000022 0.000017 -0.000009 -0.000003 181 C 13 S -0.000000 -0.000066 0.000032 0.000002 -0.000001 182 C 13 S 0.000005 -0.000112 0.000052 0.000004 -0.000001 183 C 13 S 0.000026 0.000736 -0.000555 -0.000071 -0.000010 184 C 13 X 0.000021 0.000001 -0.000004 0.000001 -0.000000 185 C 13 Y -0.000006 0.000001 -0.000013 -0.000002 -0.000001 186 C 13 Z 0.000001 -0.000006 -0.000004 -0.000000 0.000000 187 C 13 X -0.000136 0.000130 -0.000150 -0.000005 0.000007 188 C 13 Y 0.000030 -0.000020 0.000031 0.000015 -0.000027 189 C 13 Z 0.000017 0.000233 -0.000140 -0.000031 -0.000018 190 C 13 XX 0.000046 0.000020 0.000011 0.000011 0.000001 191 C 13 YY -0.000010 -0.000008 -0.000010 -0.000007 -0.000002 192 C 13 ZZ -0.000035 -0.000012 -0.000001 -0.000004 0.000000 193 C 13 XY 0.000045 -0.000003 -0.000013 0.000005 -0.000000 194 C 13 XZ -0.000006 0.000005 -0.000004 -0.000001 -0.000000 195 C 13 YZ 0.000020 -0.000008 -0.000011 -0.000000 0.000000 196 C 14 S -0.000047 -0.000041 -0.000016 -0.000009 0.000002 197 C 14 S -0.000078 -0.000077 -0.000024 -0.000014 0.000003 198 C 14 S -0.000143 0.000860 0.000495 -0.000072 -0.000047 199 C 14 X -0.000022 -0.000023 0.000015 0.000002 -0.000000 200 C 14 Y -0.000004 0.000003 0.000008 -0.000002 -0.000000 201 C 14 Z -0.000002 0.000012 -0.000001 -0.000001 -0.000001 202 C 14 X 0.000123 0.000585 -0.000067 -0.000064 -0.000005 203 C 14 Y -0.000217 -0.000243 0.000306 0.000056 -0.000001 204 C 14 Z 0.000043 -0.000210 -0.000043 0.000004 0.000037 205 C 14 XX 0.000054 -0.000024 -0.000006 0.000007 0.000001 206 C 14 YY -0.000016 0.000009 -0.000002 -0.000000 -0.000001 207 C 14 ZZ -0.000038 0.000015 0.000007 -0.000007 -0.000001 208 C 14 XY -0.000026 0.000023 0.000011 0.000001 0.000000 209 C 14 XZ 0.000004 -0.000001 -0.000003 -0.000001 0.000000 210 C 14 YZ -0.000005 0.000036 -0.000001 -0.000002 -0.000002 211 F 15 S 0.000029 0.000002 0.000001 0.000005 -0.000000 212 F 15 S 0.000052 0.000005 0.000001 0.000009 -0.000000 213 F 15 S -0.000256 0.000006 -0.000044 -0.000046 0.000002 214 F 15 X 0.000003 0.000008 -0.000003 -0.000001 0.000001 215 F 15 Y 0.000018 0.000005 -0.000004 0.000002 -0.000001 216 F 15 Z 0.000004 -0.000000 0.000002 -0.000001 -0.000000 217 F 15 X -0.000037 -0.000046 0.000005 0.000000 -0.000003 218 F 15 Y -0.000063 -0.000023 0.000034 -0.000009 0.000002 219 F 15 Z 0.000118 -0.000015 0.000015 0.000021 0.000000 220 F 15 XX 0.000013 -0.000003 0.000003 0.000001 -0.000000 221 F 15 YY 0.000001 -0.000001 -0.000001 -0.000000 0.000000 222 F 15 ZZ -0.000014 0.000004 -0.000002 -0.000001 0.000000 223 F 15 XY -0.000012 -0.000003 0.000002 -0.000001 0.000000 224 F 15 XZ 0.000006 0.000000 0.000000 0.000001 0.000000 225 F 15 YZ 0.000001 0.000001 -0.000002 0.000000 -0.000000 226 F 16 S 0.000051 0.000014 -0.000004 0.000002 0.000002 227 F 16 S 0.000090 0.000025 -0.000005 0.000003 0.000004 228 F 16 S -0.000377 -0.000098 0.000053 -0.000041 -0.000015 229 F 16 X -0.000008 0.000004 0.000014 -0.000004 -0.000000 230 F 16 Y -0.000007 0.000002 0.000009 -0.000004 0.000000 231 F 16 Z 0.000002 -0.000002 0.000000 0.000001 -0.000001 232 F 16 X -0.000106 -0.000055 -0.000027 0.000011 -0.000002 233 F 16 Y 0.000147 0.000024 -0.000046 0.000035 0.000005 234 F 16 Z -0.000084 -0.000009 0.000011 -0.000016 0.000003 235 F 16 XX 0.000007 0.000002 -0.000002 0.000003 0.000000 236 F 16 YY -0.000011 -0.000002 0.000002 -0.000002 -0.000000 237 F 16 ZZ 0.000004 0.000000 -0.000000 -0.000001 0.000000 238 F 16 XY 0.000007 0.000004 -0.000003 0.000002 0.000000 239 F 16 XZ -0.000006 -0.000002 -0.000001 -0.000001 -0.000000 240 F 16 YZ 0.000007 0.000002 -0.000003 0.000001 -0.000000 241 F 17 S -0.000004 0.000030 0.000005 -0.000002 -0.000002 242 F 17 S -0.000008 0.000054 0.000009 -0.000003 -0.000003 243 F 17 S 0.000006 -0.000244 -0.000022 0.000016 0.000018 244 F 17 X -0.000005 -0.000003 0.000002 -0.000000 0.000001 245 F 17 Y -0.000002 0.000002 0.000004 0.000002 0.000001 246 F 17 Z 0.000004 -0.000001 -0.000002 -0.000001 0.000000 247 F 17 X 0.000017 -0.000014 -0.000010 -0.000000 0.000001 248 F 17 Y 0.000026 -0.000063 -0.000039 -0.000006 0.000004 249 F 17 Z -0.000013 -0.000054 0.000009 0.000007 0.000001 250 F 17 XX 0.000001 0.000006 -0.000001 -0.000000 -0.000000 251 F 17 YY 0.000002 -0.000003 -0.000002 -0.000000 0.000000 252 F 17 ZZ -0.000003 -0.000003 0.000003 0.000001 -0.000000 253 F 17 XY -0.000001 -0.000001 -0.000000 -0.000000 -0.000000 254 F 17 XZ 0.000000 -0.000002 -0.000000 0.000000 0.000000 255 F 17 YZ 0.000004 -0.000004 -0.000002 0.000000 0.000000 256 F 18 S 0.000013 -0.000005 0.000000 0.000002 0.000001 257 F 18 S 0.000025 -0.000009 -0.000000 0.000004 0.000002 258 F 18 S -0.000072 0.000040 -0.000013 -0.000012 -0.000012 259 F 18 X 0.000004 0.000006 0.000000 0.000001 -0.000001 260 F 18 Y 0.000001 -0.000004 0.000002 0.000001 -0.000001 261 F 18 Z -0.000003 -0.000004 0.000002 0.000000 0.000001 262 F 18 X -0.000029 -0.000031 -0.000003 -0.000005 -0.000000 263 F 18 Y -0.000005 0.000043 -0.000023 -0.000012 -0.000002 264 F 18 Z 0.000006 0.000024 0.000008 -0.000001 0.000001 265 F 18 XX -0.000001 0.000001 0.000000 -0.000001 0.000000 266 F 18 YY -0.000003 0.000001 0.000001 0.000000 -0.000000 267 F 18 ZZ 0.000004 -0.000002 -0.000001 0.000001 0.000000 268 F 18 XY -0.000002 0.000002 -0.000000 -0.000001 0.000000 269 F 18 XZ -0.000001 0.000003 0.000000 -0.000000 -0.000000 270 F 18 YZ -0.000003 -0.000002 0.000002 0.000001 0.000000 271 C 19 S -0.000124 -0.000014 -0.000026 -0.000017 0.000003 272 C 19 S -0.000249 -0.000025 -0.000045 -0.000026 0.000005 273 C 19 S 0.000771 0.000364 -0.000007 0.000291 -0.000037 274 C 19 X 0.000145 0.000010 0.000008 0.000008 0.000000 275 C 19 Y 0.000035 -0.000009 -0.000020 0.000008 -0.000001 276 C 19 Z 0.000016 -0.000003 -0.000004 -0.000000 -0.000003 277 C 19 X 0.000050 -0.000281 -0.000340 -0.000017 -0.000005 278 C 19 Y -0.000991 -0.000019 -0.000019 -0.000094 0.000018 279 C 19 Z -0.000305 0.000043 0.000011 0.000024 0.000036 280 C 19 XX -0.000083 0.000005 0.000068 -0.000026 0.000001 281 C 19 YY 0.000186 -0.000009 -0.000033 0.000021 0.000001 282 C 19 ZZ -0.000103 0.000003 -0.000035 0.000005 -0.000003 283 C 19 XY -0.000115 0.000008 0.000064 -0.000044 0.000002 284 C 19 XZ 0.000001 -0.000005 0.000011 -0.000008 0.000001 285 C 19 YZ 0.000046 -0.000001 0.000004 0.000000 -0.000011 286 H 20 S 0.000014 0.000023 0.000022 -0.000024 0.000003 287 H 20 S -0.000004 0.000088 0.000146 -0.000021 0.000001 288 H 20 X -0.000035 0.000002 0.000011 0.000003 0.000001 289 H 20 Y 0.000019 0.000010 -0.000001 0.000013 0.000002 290 H 20 Z 0.000016 -0.000004 -0.000002 -0.000001 -0.000004 291 H 21 S -0.000095 -0.000017 -0.000014 -0.000006 0.000002 292 H 21 S 0.000258 -0.000005 0.000064 0.000019 0.000006 293 H 21 X 0.000061 0.000009 0.000015 -0.000004 0.000002 294 H 21 Y 0.000017 -0.000011 -0.000021 -0.000004 0.000000 295 H 21 Z 0.000038 -0.000010 0.000015 -0.000009 -0.000004 296 C 22 S -0.000013 -0.000188 -0.000000 -0.000002 -0.000000 297 C 22 S -0.000023 -0.000360 -0.000000 -0.000003 -0.000001 298 C 22 S 0.000303 0.002114 -0.000029 0.000048 0.000012 299 C 22 X -0.000004 -0.000053 -0.000001 -0.000000 -0.000000 300 C 22 Y 0.000001 -0.000129 0.000001 0.000001 0.000000 301 C 22 Z 0.000002 -0.000013 0.000000 -0.000000 0.000000 302 C 22 X -0.000071 -0.001137 0.000004 -0.000006 -0.000004 303 C 22 Y 0.000111 0.000972 -0.000009 0.000016 0.000003 304 C 22 Z -0.000024 0.000193 -0.000001 0.000003 -0.000002 305 C 22 XX 0.000003 0.000200 -0.000001 -0.000000 0.000000 306 C 22 YY -0.000009 -0.000101 0.000001 0.000001 -0.000000 307 C 22 ZZ 0.000005 -0.000099 -0.000000 -0.000000 0.000000 308 C 22 XY -0.000007 -0.000086 -0.000001 0.000000 -0.000000 309 C 22 XZ -0.000002 -0.000033 0.000000 0.000000 -0.000001 310 C 22 YZ -0.000002 0.000015 -0.000000 0.000000 0.000000 311 H 23 S 0.000001 -0.000030 0.000001 -0.000002 -0.000000 312 H 23 S 0.000001 -0.000016 -0.000009 -0.000002 -0.000002 313 H 23 X 0.000002 0.000034 0.000000 -0.000000 -0.000000 314 H 23 Y 0.000004 0.000016 -0.000001 -0.000001 0.000000 315 H 23 Z 0.000003 -0.000013 -0.000000 -0.000000 0.000000 316 H 24 S -0.000011 -0.000155 -0.000002 -0.000002 -0.000000 317 H 24 S 0.000022 0.000386 0.000002 0.000001 -0.000001 318 H 24 X -0.000000 -0.000021 -0.000000 -0.000000 0.000000 319 H 24 Y -0.000003 -0.000058 -0.000001 0.000001 -0.000000 320 H 24 Z 0.000002 -0.000039 -0.000000 0.000000 0.000000 321 H 25 S -0.000025 -0.000130 -0.000001 -0.000001 -0.000001 322 H 25 S 0.000002 0.000416 0.000002 -0.000002 0.000002 323 H 25 X 0.000003 -0.000022 -0.000000 -0.000000 0.000000 324 H 25 Y -0.000001 -0.000063 -0.000001 0.000000 0.000000 325 H 25 Z -0.000002 0.000018 0.000000 -0.000000 -0.000000 326 C 26 S -0.000039 -0.000081 0.000010 0.000017 0.000011 327 C 26 S -0.000089 -0.000176 0.000017 0.000035 0.000019 328 C 26 S -0.000764 0.000014 -0.000226 -0.000085 -0.000073 329 C 26 X 0.000029 -0.000096 0.000000 -0.000008 -0.000005 330 C 26 Y -0.000074 0.000145 0.000004 0.000011 -0.000001 331 C 26 Z -0.000074 -0.000077 -0.000012 0.000006 -0.000002 332 C 26 X -0.000141 -0.000460 0.000104 0.000069 0.000029 333 C 26 Y -0.000530 -0.001230 0.000035 0.000036 -0.000046 334 C 26 Z 0.000929 0.001133 -0.000138 -0.000160 -0.000024 335 C 26 XX -0.000006 0.000023 0.000026 0.000021 0.000002 336 C 26 YY -0.000139 -0.000101 -0.000006 0.000006 -0.000001 337 C 26 ZZ 0.000145 0.000078 -0.000020 -0.000026 -0.000000 338 C 26 XY 0.000061 0.000063 -0.000014 0.000006 0.000002 339 C 26 XZ 0.000017 -0.000144 0.000003 0.000005 -0.000001 340 C 26 YZ 0.000019 0.000123 0.000019 0.000011 -0.000010 341 H 27 S 0.000033 -0.000229 0.000013 0.000000 0.000014 342 H 27 S -0.000135 -0.000471 0.000042 0.000033 0.000004 343 H 27 X 0.000021 -0.000099 -0.000003 -0.000011 -0.000001 344 H 27 Y 0.000003 0.000110 0.000004 0.000000 0.000005 345 H 27 Z -0.000057 -0.000109 -0.000006 0.000006 0.000004 346 H 28 S -0.000102 0.000412 0.000024 0.000028 0.000000 347 H 28 S 0.001531 0.000789 -0.000040 -0.000129 0.000011 348 H 28 X 0.000039 0.000041 0.000002 0.000001 0.000000 349 H 28 Y -0.000165 -0.000122 -0.000007 -0.000001 -0.000006 350 H 28 Z 0.000079 0.000047 0.000001 -0.000007 -0.000008 351 H 29 S 0.000152 -0.000378 -0.000012 -0.000019 0.000000 352 H 29 S 0.000225 0.001115 -0.000048 -0.000050 -0.000011 353 H 29 X -0.000056 -0.000051 0.000010 0.000007 -0.000001 354 H 29 Y 0.000041 0.000014 -0.000006 -0.000005 0.000002 355 H 29 Z -0.000014 0.000035 0.000002 -0.000001 0.000001 356 C 30 S 0.000047 -0.000483 0.000001 -0.000003 -0.000005 357 C 30 S 0.000080 -0.000891 0.000002 -0.000005 -0.000011 358 C 30 S -0.000733 0.002821 -0.000151 -0.000031 0.000039 359 C 30 X 0.000003 -0.000222 0.000001 -0.000002 0.000001 360 C 30 Y -0.000005 0.000169 0.000000 0.000002 -0.000002 361 C 30 Z 0.000019 0.000141 0.000007 0.000002 0.000004 362 C 30 X 0.000333 0.001715 -0.000045 -0.000021 0.000021 363 C 30 Y -0.000057 -0.001498 -0.000001 -0.000005 0.000010 364 C 30 Z 0.000050 -0.002114 0.000113 0.000060 -0.000039 365 C 30 XX 0.000000 -0.000028 0.000002 -0.000005 0.000001 366 C 30 YY 0.000000 -0.000052 0.000006 0.000007 -0.000003 367 C 30 ZZ -0.000001 0.000081 -0.000008 -0.000003 0.000002 368 C 30 XY 0.000042 -0.000144 -0.000014 -0.000006 -0.000000 369 C 30 XZ 0.000018 -0.000094 -0.000010 -0.000003 -0.000004 370 C 30 YZ 0.000034 0.000127 0.000002 -0.000009 0.000004 371 H 31 S 0.000091 -0.000499 -0.000001 -0.000017 0.000007 372 H 31 S 0.000034 0.000186 -0.000022 -0.000020 0.000017 373 H 31 X -0.000027 -0.000131 0.000005 0.000000 -0.000001 374 H 31 Y 0.000019 0.000096 -0.000001 -0.000006 0.000002 375 H 31 Z -0.000021 0.000027 0.000001 0.000005 -0.000003 376 H 32 S 0.000018 0.000149 0.000002 0.000012 -0.000010 377 H 32 S 0.000535 0.001296 -0.000075 -0.000063 0.000032 378 H 32 X 0.000072 0.000029 -0.000010 -0.000005 0.000002 379 H 32 Y -0.000049 -0.000010 0.000012 0.000007 0.000001 380 H 32 Z -0.000020 0.000052 -0.000000 -0.000001 0.000001 381 H 33 S -0.000000 -0.000400 0.000014 0.000011 -0.000006 382 H 33 S -0.000117 -0.000042 0.000018 0.000008 -0.000012 383 H 33 X 0.000005 -0.000196 -0.000004 -0.000004 0.000001 384 H 33 Y 0.000020 0.000157 -0.000005 0.000002 -0.000002 385 H 33 Z 0.000011 0.000111 -0.000000 -0.000005 0.000003 386 H 34 S -0.000071 -0.000039 -0.000024 -0.000013 0.000001 387 H 34 S 0.000493 -0.000035 0.000039 -0.000021 -0.000008 388 H 34 X 0.000070 0.000005 0.000014 -0.000006 -0.000003 389 H 34 Y 0.000007 -0.000013 -0.000015 -0.000002 -0.000003 390 H 34 Z -0.000033 0.000008 -0.000017 0.000009 -0.000004 391 F 35 S 0.000009 0.000009 -0.000008 -0.000001 -0.000001 392 F 35 S 0.000016 0.000016 -0.000015 -0.000002 -0.000002 393 F 35 S -0.000074 -0.000090 0.000056 0.000009 0.000006 394 F 35 X -0.000002 0.000000 -0.000003 -0.000000 -0.000000 395 F 35 Y 0.000000 0.000001 -0.000002 -0.000000 -0.000001 396 F 35 Z 0.000001 0.000003 -0.000003 0.000000 -0.000000 397 F 35 X -0.000024 -0.000044 0.000029 -0.000001 0.000001 398 F 35 Y -0.000004 -0.000010 0.000008 0.000001 0.000005 399 F 35 Z 0.000021 -0.000006 0.000014 0.000003 0.000002 400 F 35 XX -0.000004 -0.000003 0.000000 -0.000001 -0.000000 401 F 35 YY 0.000005 0.000003 0.000000 0.000001 0.000000 402 F 35 ZZ -0.000001 0.000000 -0.000001 0.000000 -0.000000 403 F 35 XY -0.000001 -0.000001 -0.000000 0.000000 0.000000 404 F 35 XZ 0.000005 0.000001 0.000001 0.000001 0.000000 405 F 35 YZ -0.000001 -0.000000 0.000001 0.000000 -0.000000 406 F 36 S -0.000004 0.000004 -0.000001 0.000000 0.000001 407 F 36 S -0.000007 0.000008 -0.000002 0.000000 0.000001 408 F 36 S 0.000041 -0.000021 0.000015 -0.000001 -0.000006 409 F 36 X -0.000003 0.000000 -0.000003 -0.000001 -0.000000 410 F 36 Y -0.000000 -0.000001 -0.000001 0.000000 0.000000 411 F 36 Z 0.000004 0.000006 -0.000001 0.000000 -0.000000 412 F 36 X 0.000030 -0.000009 0.000015 0.000003 0.000001 413 F 36 Y -0.000004 0.000003 0.000002 -0.000000 0.000001 414 F 36 Z 0.000016 -0.000035 0.000018 0.000003 -0.000000 415 F 36 XX -0.000001 0.000002 -0.000000 0.000000 0.000000 416 F 36 YY -0.000003 -0.000001 -0.000001 -0.000001 -0.000000 417 F 36 ZZ 0.000004 -0.000001 0.000001 0.000001 0.000000 418 F 36 XY 0.000001 -0.000000 0.000000 0.000000 -0.000000 419 F 36 XZ 0.000002 -0.000001 0.000000 0.000000 -0.000000 420 F 36 YZ -0.000001 -0.000001 -0.000001 -0.000000 -0.000000 421 C 37 S -0.000118 0.000147 -0.000010 -0.000001 0.000003 422 C 37 S -0.000230 0.000248 -0.000012 -0.000012 0.000004 423 C 37 S 0.000099 -0.002659 0.000521 -0.000242 -0.000160 424 C 37 X 0.000095 -0.000014 -0.000010 0.000025 0.000004 425 C 37 Y -0.000043 -0.000005 0.000020 -0.000051 0.000000 426 C 37 Z 0.000005 0.000010 0.000005 -0.000003 0.000018 427 C 37 X 0.001983 0.000662 -0.000531 0.000298 0.000044 428 C 37 Y 0.001105 0.000293 -0.000451 -0.000112 -0.000022 429 C 37 Z 0.000277 0.000210 -0.000120 -0.000039 0.000055 430 C 37 XX 0.000028 0.000086 0.000028 -0.000023 -0.000004 431 C 37 YY 0.000123 -0.000144 -0.000012 0.000008 -0.000001 432 C 37 ZZ -0.000150 0.000057 -0.000016 0.000015 0.000006 433 C 37 XY 0.000061 0.000045 -0.000037 0.000071 -0.000006 434 C 37 XZ -0.000032 0.000007 0.000002 0.000017 -0.000006 435 C 37 YZ -0.000009 -0.000078 0.000005 0.000002 0.000012 436 S 38 S 0.000510 -0.000001 0.000004 -0.000042 -0.000002 437 S 38 S 1.006786 -0.000005 0.000749 0.004964 0.000057 438 S 38 S 0.005162 -0.000010 -0.000154 -0.001805 -0.000018 439 S 38 S -0.022616 0.000420 -0.000562 0.000156 0.000081 440 S 38 X 0.003650 -0.000011 0.707936 -0.705895 -0.027611 441 S 38 Y -0.004811 -0.000003 0.705401 0.708340 -0.029564 442 S 38 Z -0.000123 0.000000 0.040438 0.001443 0.999067 443 S 38 X 0.001019 -0.000041 0.000712 0.000085 0.000066 444 S 38 Y -0.001320 -0.000004 0.000711 -0.000106 0.000011 445 S 38 Z -0.000050 0.000002 0.000035 -0.000030 -0.001414 446 S 38 X -0.003944 -0.000275 -0.000563 0.000354 0.000003 447 S 38 Y 0.005032 -0.000166 -0.000274 -0.000236 -0.000009 448 S 38 Z -0.000004 0.000075 -0.000039 0.000056 -0.000111 449 S 38 XX -0.000350 0.000002 0.000445 -0.000091 0.000007 450 S 38 YY -0.000238 -0.000002 -0.000481 -0.000085 0.000008 451 S 38 ZZ 0.000588 -0.000000 0.000036 0.000176 -0.000015 452 S 38 XY 0.000026 0.000104 -0.000087 0.000102 0.000008 453 S 38 XZ -0.000028 0.000005 0.000005 -0.000003 0.000027 454 S 38 YZ -0.000014 -0.000016 -0.000012 -0.000022 -0.000022 455 S 38 XX 0.000368 -0.000001 0.000647 -0.000065 -0.000026 456 S 38 YY 0.000325 -0.000000 -0.000721 -0.000435 0.000050 457 S 38 ZZ -0.000693 0.000001 0.000074 0.000501 -0.000024 458 S 38 XY 0.000325 -0.000011 -0.000083 0.001267 0.000016 459 S 38 XZ 0.000061 -0.000000 0.000011 0.000036 0.000724 460 S 38 YZ 0.000029 0.000002 -0.000040 -0.000018 -0.000941 461 H 39 S -0.000228 0.000031 0.000014 -0.000018 0.000004 462 H 39 S -0.000572 -0.000084 0.000119 -0.000118 -0.000006 463 H 39 X -0.000034 -0.000003 0.000022 -0.000017 -0.000002 464 H 39 Y -0.000083 -0.000011 0.000021 -0.000012 0.000003 465 H 39 Z -0.000024 0.000007 0.000005 -0.000001 -0.000004 31 32 33 34 35 -6.6565 -6.6553 -6.6532 -1.7006 -1.6795 A A A A A 1 C 1 S 0.000046 0.000085 0.000003 -0.000348 0.000085 2 C 1 S -0.000255 -0.000145 -0.000003 -0.000542 0.000092 3 C 1 S 0.000808 -0.000016 0.000114 0.008423 -0.003760 4 C 1 X -0.000193 -0.000109 0.000003 -0.000219 0.000114 5 C 1 Y -0.000213 -0.000234 -0.000010 0.000124 -0.000239 6 C 1 Z 0.000002 -0.000002 0.000025 0.000004 -0.000012 7 C 1 X 0.000046 -0.000371 -0.000143 -0.006264 0.002027 8 C 1 Y 0.000640 0.000549 -0.000017 -0.001334 0.005123 9 C 1 Z 0.000064 0.000029 -0.000095 0.000361 -0.000188 10 C 1 XX 0.000062 0.000050 0.000020 0.000453 -0.000207 11 C 1 YY -0.000015 -0.000062 -0.000021 -0.000165 0.000109 12 C 1 ZZ -0.000047 0.000012 0.000001 -0.000288 0.000098 13 C 1 XY -0.000128 -0.000172 -0.000002 -0.000078 0.000011 14 C 1 XZ -0.000016 -0.000011 0.000028 -0.000047 0.000062 15 C 1 YZ 0.000015 0.000007 0.000037 0.000006 -0.000005 16 C 2 S 0.000047 0.000016 0.000004 0.000223 -0.000137 17 C 2 S 0.000072 0.000018 0.000005 0.000713 -0.000842 18 C 2 S -0.001717 -0.000758 -0.000345 -0.005084 -0.005133 19 C 2 X -0.000026 -0.000051 -0.000007 -0.000071 0.000376 20 C 2 Y -0.000003 0.000000 -0.000004 0.000235 -0.000561 21 C 2 Z -0.000004 0.000006 -0.000016 -0.000028 -0.000076 22 C 2 X -0.000444 -0.000115 -0.000144 -0.006294 0.003428 23 C 2 Y -0.001159 -0.000409 -0.000072 0.006959 -0.010517 24 C 2 Z -0.000039 -0.000005 0.000025 0.000700 -0.000123 25 C 2 XX -0.000051 -0.000057 0.000000 -0.000679 0.000586 26 C 2 YY 0.000002 0.000037 -0.000001 0.000597 -0.000644 27 C 2 ZZ 0.000049 0.000020 0.000001 0.000083 0.000058 28 C 2 XY -0.000063 -0.000047 -0.000003 0.000027 0.000270 29 C 2 XZ 0.000008 -0.000001 0.000013 0.000079 -0.000002 30 C 2 YZ 0.000003 0.000002 -0.000011 -0.000048 0.000055 31 C 3 S -0.000033 0.000005 -0.000005 0.000116 -0.000712 32 C 3 S -0.000055 -0.000005 -0.000011 0.001571 -0.002912 33 C 3 S 0.000640 -0.000280 -0.000181 -0.008440 0.017256 34 C 3 X -0.000007 -0.000027 -0.000010 -0.000629 0.001359 35 C 3 Y 0.000022 -0.000016 0.000002 0.000267 0.000028 36 C 3 Z -0.000008 -0.000005 -0.000002 -0.000217 0.000202 37 C 3 X 0.001390 -0.000678 0.000467 -0.000635 -0.008475 38 C 3 Y -0.001326 -0.000582 -0.000263 0.003790 -0.011904 39 C 3 Z -0.000017 -0.000036 0.000016 0.000157 -0.002202 40 C 3 XX 0.000023 -0.000054 0.000001 0.000200 -0.000252 41 C 3 YY -0.000002 0.000028 -0.000002 -0.000480 0.000959 42 C 3 ZZ -0.000021 0.000026 0.000002 0.000280 -0.000707 43 C 3 XY -0.000001 -0.000038 0.000007 -0.000007 -0.000411 44 C 3 XZ -0.000003 -0.000005 0.000007 0.000082 -0.000281 45 C 3 YZ -0.000002 0.000008 0.000007 -0.000135 0.000052 46 C 4 S 0.000068 -0.000056 0.000000 -0.000423 -0.000158 47 C 4 S 0.000306 -0.000320 0.000001 -0.000562 -0.000352 48 C 4 S -0.000835 0.001181 0.000015 0.001835 0.004587 49 C 4 X 0.000201 -0.000172 0.000013 -0.000117 0.000132 50 C 4 Y -0.000106 0.000174 -0.000011 -0.000182 -0.000120 51 C 4 Z -0.000059 0.000069 0.000049 0.000028 -0.000140 52 C 4 X -0.000564 -0.000188 -0.000045 -0.001599 -0.001738 53 C 4 Y 0.000832 -0.000551 0.000278 -0.000462 -0.000214 54 C 4 Z 0.000359 -0.000307 -0.000031 0.000208 0.002583 55 C 4 XX 0.000024 -0.000044 0.000009 0.000337 -0.000288 56 C 4 YY -0.000022 0.000022 -0.000005 -0.000054 0.000261 57 C 4 ZZ -0.000002 0.000022 -0.000004 -0.000283 0.000027 58 C 4 XY -0.000015 0.000097 -0.000016 0.000164 0.000050 59 C 4 XZ -0.000004 0.000049 0.000030 -0.000007 -0.000110 60 C 4 YZ 0.000009 -0.000018 -0.000017 0.000042 0.000014 61 S 5 S -0.000002 -0.000042 -0.000003 -0.000040 0.000018 62 S 5 S 0.000507 0.004537 0.000195 -0.000287 0.000126 63 S 5 S -0.000179 -0.001699 -0.000073 -0.000324 0.000123 64 S 5 S 0.000133 0.000198 0.000139 0.001968 -0.001719 65 S 5 X -0.083524 0.972542 0.217435 0.000003 0.000021 66 S 5 Y 0.988304 0.109066 -0.108486 -0.000011 0.000035 67 S 5 Z 0.129269 -0.205832 0.969892 0.000000 -0.000011 68 S 5 X -0.000174 0.000053 -0.000331 -0.000002 0.000073 69 S 5 Y 0.001061 -0.000086 0.000168 -0.000037 0.000106 70 S 5 Z 0.000152 -0.000015 -0.001466 0.000004 -0.000032 71 S 5 X 0.000055 -0.000465 -0.000048 -0.000061 0.000253 72 S 5 Y -0.000840 -0.000048 -0.000029 -0.000691 0.001207 73 S 5 Z -0.000079 0.000137 0.000005 0.000003 -0.000008 74 S 5 XX 0.000118 -0.000167 -0.000011 -0.000159 0.000171 75 S 5 YY -0.000144 -0.000016 -0.000001 0.000230 -0.000156 76 S 5 ZZ 0.000026 0.000183 0.000012 -0.000071 -0.000015 77 S 5 XY -0.000475 0.000005 0.000001 -0.000036 -0.000143 78 S 5 XZ -0.000089 0.000079 -0.000039 0.000016 0.000049 79 S 5 YZ 0.000072 -0.000032 0.000015 0.000007 -0.000001 80 S 5 XX 0.000121 -0.001136 -0.000390 0.000008 -0.000010 81 S 5 YY -0.000205 0.000740 0.000074 -0.000011 0.000007 82 S 5 ZZ 0.000084 0.000396 0.000316 0.000003 0.000002 83 S 5 XY -0.000676 -0.000375 0.000069 0.000001 0.000006 84 S 5 XZ -0.000089 0.000318 -0.001018 -0.000001 -0.000002 85 S 5 YZ 0.000079 0.000117 -0.000217 0.000000 -0.000000 86 H 6 S -0.000030 0.000004 0.000001 -0.000135 -0.000187 87 H 6 S -0.000311 -0.000120 -0.000033 0.003988 -0.005757 88 H 6 X 0.000004 -0.000005 0.000004 0.000347 -0.000320 89 H 6 Y 0.000052 0.000024 0.000001 0.000118 -0.000256 90 H 6 Z 0.000002 -0.000000 -0.000006 -0.000076 0.000060 91 C 7 S 0.000026 -0.000007 -0.000009 0.000314 0.000789 92 C 7 S 0.000045 -0.000015 -0.000015 0.002150 0.003559 93 C 7 S -0.000144 0.000117 0.000284 -0.014050 -0.014610 94 C 7 X 0.000006 -0.000014 0.000006 -0.000968 -0.001892 95 C 7 Y -0.000017 0.000017 -0.000005 -0.000134 0.000056 96 C 7 Z 0.000010 -0.000002 0.000005 -0.000044 0.000251 97 C 7 X 0.000115 -0.000259 0.000137 0.005961 0.022256 98 C 7 Y 0.000362 -0.000307 -0.000118 0.002848 -0.002728 99 C 7 Z -0.000019 0.000053 -0.000025 -0.001072 -0.003575 100 C 7 XX -0.000010 0.000001 0.000007 0.000219 0.000275 101 C 7 YY 0.000002 -0.000001 0.000002 -0.000437 -0.000812 102 C 7 ZZ 0.000008 -0.000000 -0.000009 0.000219 0.000536 103 C 7 XY 0.000008 0.000014 -0.000006 0.000072 -0.000449 104 C 7 XZ 0.000014 -0.000003 -0.000004 0.000383 0.000335 105 C 7 YZ 0.000001 -0.000002 0.000003 0.000124 0.000074 106 C 8 S -0.000028 -0.000003 0.000006 -0.000240 -0.000002 107 C 8 S -0.000048 -0.000006 0.000010 -0.000395 0.000019 108 C 8 S 0.000632 0.000167 -0.000144 0.002855 -0.001925 109 C 8 X 0.000002 -0.000003 0.000001 0.000057 -0.000006 110 C 8 Y -0.000015 -0.000003 0.000000 -0.000108 -0.000134 111 C 8 Z 0.000003 -0.000001 0.000003 0.000007 0.000001 112 C 8 X 0.000234 0.000106 -0.000039 -0.002479 -0.003055 113 C 8 Y -0.000373 -0.000085 0.000095 0.000727 0.005819 114 C 8 Z -0.000067 -0.000003 -0.000000 -0.000226 0.000446 115 C 8 XX -0.000006 -0.000000 0.000002 0.000202 0.000232 116 C 8 YY 0.000026 0.000002 -0.000003 -0.000108 -0.000287 117 C 8 ZZ -0.000020 -0.000002 0.000001 -0.000094 0.000054 118 C 8 XY -0.000016 0.000000 0.000000 -0.000042 0.000020 119 C 8 XZ -0.000002 -0.000001 0.000000 0.000030 0.000063 120 C 8 YZ 0.000007 -0.000001 -0.000001 -0.000001 -0.000050 121 C 9 S -0.000028 0.000008 0.000013 -0.000456 0.000178 122 C 9 S -0.000046 0.000017 0.000018 -0.000630 0.000416 123 C 9 S -0.000110 -0.000074 -0.000371 0.001370 -0.009119 124 C 9 X -0.000009 0.000007 -0.000010 0.000049 0.000052 125 C 9 Y 0.000010 -0.000015 0.000018 0.000225 0.000113 126 C 9 Z 0.000017 -0.000017 0.000000 0.000101 -0.000009 127 C 9 X -0.000095 -0.000123 0.000218 -0.004598 0.002235 128 C 9 Y -0.000461 0.000355 -0.000029 -0.002545 -0.006471 129 C 9 Z -0.000307 0.000109 -0.000143 0.000077 -0.002163 130 C 9 XX 0.000002 0.000013 -0.000002 0.000413 0.000348 131 C 9 YY 0.000035 -0.000023 -0.000004 -0.000206 -0.000238 132 C 9 ZZ -0.000037 0.000010 0.000005 -0.000206 -0.000109 133 C 9 XY -0.000066 0.000013 0.000005 -0.000110 0.000294 134 C 9 XZ 0.000006 -0.000015 0.000010 -0.000153 -0.000021 135 C 9 YZ -0.000006 0.000015 0.000000 -0.000071 -0.000096 136 C 10 S -0.000005 0.000020 -0.000002 -0.001471 -0.001007 137 C 10 S -0.000006 0.000031 -0.000005 0.010793 0.012108 138 C 10 S 0.000350 -0.000809 -0.000010 0.030221 0.028302 139 C 10 X 0.000008 -0.000007 0.000002 -0.010185 -0.012573 140 C 10 Y 0.000004 0.000008 -0.000001 0.001675 0.006690 141 C 10 Z 0.000004 -0.000002 0.000008 0.000855 0.002298 142 C 10 X 0.000057 -0.000256 -0.000127 -0.004088 -0.018727 143 C 10 Y 0.000012 0.000163 0.000061 0.013572 0.039139 144 C 10 Z -0.000042 0.000048 0.000016 0.002043 0.001023 145 C 10 XX 0.000007 -0.000005 0.000002 0.003738 0.005712 146 C 10 YY 0.000001 -0.000010 -0.000002 -0.001295 -0.002481 147 C 10 ZZ -0.000008 0.000016 0.000000 -0.002443 -0.003231 148 C 10 XY 0.000004 -0.000000 0.000001 -0.001686 -0.003787 149 C 10 XZ 0.000001 0.000005 0.000000 -0.000570 -0.001380 150 C 10 YZ 0.000004 -0.000000 0.000001 0.000634 0.000968 151 C 11 S -0.000024 -0.000010 -0.000018 -0.001393 0.000372 152 C 11 S -0.000040 -0.000018 -0.000030 0.009602 -0.010173 153 C 11 S 0.001193 0.000022 0.000562 0.026484 -0.007312 154 C 11 X 0.000007 -0.000017 0.000001 -0.008565 0.009428 155 C 11 Y 0.000002 -0.000012 0.000000 -0.002337 0.007455 156 C 11 Z 0.000002 -0.000001 0.000001 -0.000278 0.000074 157 C 11 X 0.000579 0.000272 0.000287 -0.011759 0.013759 158 C 11 Y -0.000276 0.000598 -0.000110 -0.008323 0.034754 159 C 11 Z 0.000039 -0.000006 0.000014 0.000677 0.001873 160 C 11 XX 0.000020 -0.000011 0.000010 0.002735 -0.003859 161 C 11 YY -0.000017 0.000019 -0.000002 -0.000362 0.001272 162 C 11 ZZ -0.000004 -0.000008 -0.000009 -0.002373 0.002586 163 C 11 XY 0.000007 -0.000008 -0.000002 0.002076 -0.004331 164 C 11 XZ 0.000000 -0.000003 -0.000001 0.000388 -0.000595 165 C 11 YZ 0.000002 -0.000001 -0.000001 -0.000116 0.000618 166 C 12 S 0.000002 -0.000002 -0.000000 -0.002919 -0.001923 167 C 12 S 0.000003 -0.000002 -0.000001 0.085270 0.121921 168 C 12 S -0.000045 0.000016 -0.000087 0.011327 -0.038346 169 C 12 X -0.000000 0.000003 -0.000003 -0.023930 -0.025191 170 C 12 Y 0.000001 0.000000 0.000000 0.015387 0.054807 171 C 12 Z -0.000001 -0.000001 0.000000 0.003504 0.019492 172 C 12 X -0.000021 -0.000022 -0.000018 -0.016813 -0.008742 173 C 12 Y -0.000007 -0.000053 0.000001 -0.006347 0.006172 174 C 12 Z 0.000046 -0.000030 0.000026 -0.004683 0.008356 175 C 12 XX -0.000004 0.000004 -0.000001 -0.007409 -0.012840 176 C 12 YY 0.000004 -0.000003 0.000001 0.004195 0.003231 177 C 12 ZZ 0.000000 -0.000001 -0.000001 0.003213 0.009609 178 C 12 XY -0.000002 -0.000001 -0.000002 0.001006 -0.008002 179 C 12 XZ 0.000002 -0.000000 -0.000001 0.001687 -0.002502 180 C 12 YZ -0.000003 0.000003 -0.000001 -0.002089 -0.009508 181 C 13 S -0.000009 0.000011 -0.000004 -0.004922 0.000117 182 C 13 S -0.000015 0.000018 -0.000007 0.142623 -0.019163 183 C 13 S 0.000076 -0.000175 0.000036 0.010505 0.011519 184 C 13 X 0.000000 -0.000002 -0.000000 -0.043671 0.008206 185 C 13 Y -0.000001 0.000003 0.000001 0.000830 0.025489 186 C 13 Z 0.000002 -0.000001 0.000001 -0.027464 0.009214 187 C 13 X 0.000065 -0.000058 0.000027 0.000091 0.001978 188 C 13 Y 0.000020 0.000009 0.000020 0.002231 0.026383 189 C 13 Z -0.000022 -0.000024 -0.000005 -0.000001 0.004644 190 C 13 XX 0.000005 0.000000 0.000001 0.004683 -0.001933 191 C 13 YY -0.000003 -0.000003 -0.000001 -0.011661 0.003291 192 C 13 ZZ -0.000002 0.000002 -0.000001 0.006978 -0.001358 193 C 13 XY -0.000001 0.000003 0.000000 0.002329 0.006555 194 C 13 XZ 0.000001 -0.000000 0.000001 -0.007104 0.001761 195 C 13 YZ -0.000001 0.000001 0.000000 -0.002137 0.006009 196 C 14 S 0.000001 -0.000008 0.000001 -0.002551 0.002021 197 C 14 S -0.000000 -0.000013 0.000002 0.075381 -0.101392 198 C 14 S 0.000032 0.000381 0.000020 0.009295 0.020545 199 C 14 X -0.000006 0.000018 -0.000001 -0.020157 0.017412 200 C 14 Y -0.000000 -0.000000 0.000000 -0.014538 0.046308 201 C 14 Z -0.000002 0.000001 0.000000 -0.001220 -0.003881 202 C 14 X -0.000041 0.000086 -0.000021 -0.020196 0.010088 203 C 14 Y 0.000012 0.000064 0.000012 0.005533 0.000712 204 C 14 Z 0.000017 -0.000023 -0.000005 -0.005245 -0.001844 205 C 14 XX -0.000013 0.000008 -0.000005 -0.005674 0.010971 206 C 14 YY 0.000006 -0.000006 0.000003 0.002747 -0.001591 207 C 14 ZZ 0.000007 -0.000001 0.000002 0.002927 -0.009379 208 C 14 XY -0.000000 -0.000003 -0.000001 -0.003737 -0.002991 209 C 14 XZ -0.000002 0.000000 -0.000000 0.000477 0.002585 210 C 14 YZ 0.000003 -0.000003 0.000002 0.001168 -0.004583 211 F 15 S 0.000002 -0.000001 0.000001 -0.002417 -0.003991 212 F 15 S 0.000004 -0.000002 0.000002 0.129523 0.221955 213 F 15 S -0.000015 0.000007 -0.000009 0.145178 0.251060 214 F 15 X -0.000000 0.000000 -0.000001 0.004457 0.009163 215 F 15 Y 0.000001 -0.000001 0.000001 -0.002009 0.000369 216 F 15 Z 0.000000 -0.000000 0.000001 -0.026266 -0.041001 217 F 15 X 0.000002 -0.000001 -0.000002 0.003900 0.005725 218 F 15 Y -0.000001 0.000007 0.000000 -0.000427 0.000781 219 F 15 Z 0.000000 -0.000001 0.000001 -0.014734 -0.025126 220 F 15 XX -0.000000 -0.000000 -0.000000 -0.001569 -0.002390 221 F 15 YY -0.000000 0.000000 0.000000 -0.001680 -0.002642 222 F 15 ZZ 0.000000 -0.000000 0.000000 0.003249 0.005032 223 F 15 XY -0.000000 0.000000 -0.000000 0.000026 -0.000016 224 F 15 XZ -0.000000 0.000000 0.000000 -0.001181 -0.002014 225 F 15 YZ -0.000000 -0.000000 -0.000000 0.000357 0.000127 226 F 16 S -0.000002 0.000001 -0.000001 -0.002430 -0.004675 227 F 16 S -0.000004 0.000002 -0.000002 0.149117 0.266130 228 F 16 S 0.000015 -0.000003 0.000012 0.163996 0.301389 229 F 16 X -0.000001 0.000001 0.000000 0.005885 0.011460 230 F 16 Y -0.000001 -0.000001 -0.000000 -0.025320 -0.039203 231 F 16 Z 0.000000 -0.000001 -0.000000 0.013874 0.025181 232 F 16 X 0.000005 -0.000004 0.000002 0.004193 0.007180 233 F 16 Y 0.000002 0.000007 -0.000003 -0.013380 -0.022381 234 F 16 Z -0.000003 0.000008 -0.000001 0.007789 0.015315 235 F 16 XX 0.000000 -0.000001 0.000000 -0.001623 -0.002481 236 F 16 YY -0.000000 -0.000000 0.000000 0.002168 0.003148 237 F 16 ZZ -0.000000 0.000001 -0.000000 -0.000545 -0.000667 238 F 16 XY 0.000000 -0.000000 0.000000 -0.001141 -0.002001 239 F 16 XZ -0.000000 0.000000 -0.000000 0.000747 0.001320 240 F 16 YZ 0.000001 -0.000000 0.000000 -0.002560 -0.004455 241 F 17 S -0.000001 0.000001 0.000000 -0.002163 0.003759 242 F 17 S -0.000001 0.000001 -0.000000 0.126823 -0.214557 243 F 17 S 0.000003 -0.000010 -0.000001 0.140035 -0.242529 244 F 17 X -0.000002 -0.000000 -0.000001 0.000911 -0.003008 245 F 17 Y 0.000001 0.000001 0.000000 0.019197 -0.027967 246 F 17 Z 0.000000 0.000000 -0.000000 0.016410 -0.027034 247 F 17 X 0.000007 0.000005 0.000003 0.001675 -0.002492 248 F 17 Y -0.000010 -0.000008 -0.000003 0.010418 -0.015255 249 F 17 Z -0.000004 -0.000001 -0.000000 0.009233 -0.016701 250 F 17 XX 0.000000 0.000000 0.000000 -0.001635 0.002446 251 F 17 YY -0.000000 -0.000001 -0.000000 0.001143 -0.001400 252 F 17 ZZ -0.000000 0.000000 0.000000 0.000492 -0.001046 253 F 17 XY -0.000000 0.000001 -0.000000 0.000195 -0.000478 254 F 17 XZ -0.000000 0.000000 -0.000000 0.000310 -0.000545 255 F 17 YZ -0.000001 0.000000 -0.000000 0.002674 -0.004249 256 F 18 S 0.000001 -0.000002 -0.000001 -0.002182 0.003370 257 F 18 S 0.000002 -0.000004 -0.000001 0.113390 -0.182045 258 F 18 S -0.000011 0.000002 0.000004 0.127437 -0.206309 259 F 18 X -0.000001 -0.000001 -0.000000 0.004336 -0.008559 260 F 18 Y 0.000000 0.000000 -0.000001 0.007637 -0.008585 261 F 18 Z -0.000000 0.000000 0.000000 -0.021916 0.032700 262 F 18 X 0.000005 0.000007 0.000003 0.004150 -0.005441 263 F 18 Y -0.000001 -0.000004 0.000001 0.003697 -0.003976 264 F 18 Z 0.000005 0.000005 0.000000 -0.012269 0.019948 265 F 18 XX -0.000000 0.000002 -0.000000 -0.001311 0.001873 266 F 18 YY 0.000000 -0.000001 0.000000 -0.001079 0.001709 267 F 18 ZZ -0.000000 -0.000001 -0.000000 0.002390 -0.003582 268 F 18 XY -0.000000 0.000000 0.000000 0.000253 -0.000434 269 F 18 XZ 0.000000 -0.000000 -0.000000 -0.001141 0.001808 270 F 18 YZ 0.000000 0.000000 0.000000 -0.001540 0.001933 271 C 19 S -0.000007 -0.000001 0.000000 -0.000067 0.000005 272 C 19 S -0.000014 -0.000002 0.000001 -0.000124 0.000007 273 C 19 S 0.000030 -0.000016 -0.000006 -0.000078 -0.001913 274 C 19 X 0.000005 0.000002 -0.000001 0.000061 0.000074 275 C 19 Y 0.000007 0.000002 -0.000001 0.000048 0.000037 276 C 19 Z 0.000001 0.000001 -0.000000 0.000003 0.000002 277 C 19 X -0.000057 -0.000014 0.000016 -0.000061 0.000710 278 C 19 Y 0.000018 0.000017 -0.000003 -0.000492 -0.000028 279 C 19 Z 0.000012 -0.000005 0.000003 0.000084 0.000138 280 C 19 XX 0.000012 0.000005 -0.000002 -0.000075 -0.000135 281 C 19 YY -0.000005 -0.000003 0.000002 0.000084 0.000119 282 C 19 ZZ -0.000006 -0.000002 0.000001 -0.000009 0.000015 283 C 19 XY -0.000001 -0.000000 -0.000000 -0.000020 -0.000032 284 C 19 XZ -0.000001 0.000000 -0.000001 -0.000012 -0.000015 285 C 19 YZ -0.000001 -0.000001 -0.000001 0.000010 0.000021 286 H 20 S -0.000002 0.000000 0.000000 0.000048 0.000130 287 H 20 S 0.000023 0.000004 -0.000011 0.000286 0.000000 288 H 20 X 0.000005 0.000002 -0.000000 -0.000067 -0.000089 289 H 20 Y 0.000001 0.000000 -0.000000 -0.000013 -0.000019 290 H 20 Z -0.000001 0.000001 -0.000000 -0.000013 -0.000012 291 H 21 S 0.000004 -0.000000 -0.000001 -0.000041 -0.000018 292 H 21 S -0.000005 -0.000004 0.000002 0.000305 0.000336 293 H 21 X 0.000001 -0.000000 -0.000000 0.000029 0.000034 294 H 21 Y -0.000003 -0.000001 0.000001 0.000027 0.000046 295 H 21 Z -0.000001 0.000000 -0.000000 0.000025 0.000035 296 C 22 S 0.000029 -0.000026 0.000003 -0.000101 0.000018 297 C 22 S 0.000051 -0.000040 0.000006 -0.000191 0.000042 298 C 22 S 0.000088 0.000476 -0.000003 -0.000069 0.002471 299 C 22 X 0.000023 -0.000006 -0.000002 0.000040 -0.000077 300 C 22 Y -0.000007 -0.000005 0.000004 -0.000125 0.000119 301 C 22 Z -0.000000 -0.000001 -0.000001 -0.000013 0.000014 302 C 22 X -0.000148 -0.000080 0.000018 0.000932 -0.000698 303 C 22 Y -0.000292 0.000169 0.000003 0.000448 0.001077 304 C 22 Z -0.000037 0.000028 0.000053 -0.000005 0.000105 305 C 22 XX 0.000064 0.000037 -0.000001 -0.000012 -0.000032 306 C 22 YY -0.000103 -0.000039 0.000001 0.000078 -0.000042 307 C 22 ZZ 0.000039 0.000002 0.000000 -0.000067 0.000074 308 C 22 XY -0.000016 -0.000008 -0.000000 0.000139 -0.000133 309 C 22 XZ -0.000005 -0.000003 -0.000011 0.000008 -0.000008 310 C 22 YZ -0.000007 -0.000001 0.000005 -0.000004 0.000008 311 H 23 S -0.000027 -0.000020 0.000001 0.000056 -0.000034 312 H 23 S -0.000149 -0.000008 0.000002 0.000212 0.000395 313 H 23 X 0.000009 0.000011 0.000001 -0.000021 0.000047 314 H 23 Y 0.000003 -0.000011 -0.000002 -0.000072 0.000064 315 H 23 Z 0.000001 -0.000002 -0.000006 -0.000004 -0.000000 316 H 24 S 0.000028 -0.000023 0.000008 -0.000014 -0.000093 317 H 24 S -0.000043 -0.000001 -0.000018 -0.000080 0.000089 318 H 24 X 0.000020 -0.000002 -0.000001 -0.000053 0.000011 319 H 24 Y 0.000008 0.000005 0.000005 0.000011 -0.000010 320 H 24 Z 0.000019 0.000009 -0.000003 0.000003 0.000018 321 H 25 S 0.000017 -0.000023 -0.000004 0.000000 -0.000109 322 H 25 S -0.000077 0.000030 0.000019 -0.000060 0.000007 323 H 25 X 0.000022 -0.000004 -0.000002 -0.000062 0.000027 324 H 25 Y 0.000007 0.000008 0.000001 0.000016 -0.000024 325 H 25 Z -0.000022 -0.000007 -0.000004 0.000003 -0.000028 326 C 26 S -0.000018 0.000020 -0.000002 -0.000037 -0.000034 327 C 26 S -0.000033 0.000039 -0.000003 -0.000048 -0.000038 328 C 26 S -0.000111 0.000033 -0.000044 -0.001445 -0.000389 329 C 26 X 0.000000 0.000006 -0.000005 0.000087 0.000021 330 C 26 Y 0.000013 -0.000013 0.000003 -0.000036 0.000011 331 C 26 Z -0.000018 0.000018 -0.000002 -0.000131 0.000034 332 C 26 X -0.000025 -0.000014 -0.000018 0.000476 -0.000167 333 C 26 Y -0.000039 0.000072 -0.000052 0.001126 0.000533 334 C 26 Z -0.000057 -0.000017 0.000033 0.000344 -0.000458 335 C 26 XX -0.000014 -0.000004 0.000007 -0.000002 0.000007 336 C 26 YY 0.000013 -0.000004 -0.000010 -0.000044 0.000016 337 C 26 ZZ 0.000001 0.000008 0.000002 0.000046 -0.000023 338 C 26 XY -0.000010 0.000000 0.000007 0.000042 0.000090 339 C 26 XZ -0.000000 0.000003 -0.000009 0.000144 0.000051 340 C 26 YZ -0.000002 -0.000012 0.000016 0.000128 0.000107 341 H 27 S -0.000008 0.000028 -0.000008 -0.000073 -0.000084 342 H 27 S -0.000046 0.000006 -0.000025 0.001848 -0.000077 343 H 27 X -0.000006 0.000009 -0.000007 0.000042 -0.000054 344 H 27 Y 0.000004 -0.000009 0.000003 0.000032 -0.000028 345 H 27 Z -0.000009 0.000012 -0.000004 0.000055 -0.000038 346 H 28 S 0.000000 -0.000022 0.000025 0.000008 -0.000046 347 H 28 S 0.000011 -0.000051 0.000036 -0.000335 -0.000401 348 H 28 X 0.000004 -0.000002 0.000002 0.000039 0.000050 349 H 28 Y 0.000006 0.000007 -0.000012 -0.000068 -0.000021 350 H 28 Z -0.000001 -0.000003 0.000002 -0.000059 -0.000020 351 H 29 S 0.000015 0.000026 -0.000023 0.000240 0.000004 352 H 29 S -0.000006 0.000020 0.000027 0.000281 -0.000005 353 H 29 X 0.000008 -0.000001 -0.000005 -0.000080 -0.000025 354 H 29 Y -0.000010 -0.000006 0.000009 -0.000011 -0.000011 355 H 29 Z 0.000011 0.000013 -0.000011 0.000039 -0.000046 356 C 30 S -0.000015 0.000011 0.000021 -0.000053 0.000077 357 C 30 S -0.000023 0.000019 0.000044 -0.000056 0.000114 358 C 30 S -0.000002 -0.000000 -0.000079 -0.000288 -0.002471 359 C 30 X -0.000007 0.000005 0.000009 0.000013 -0.000002 360 C 30 Y -0.000005 0.000001 -0.000014 0.000001 0.000003 361 C 30 Z -0.000014 0.000013 -0.000018 0.000007 0.000150 362 C 30 X 0.000209 -0.000089 -0.000084 0.000286 0.000293 363 C 30 Y -0.000190 0.000128 0.000032 -0.000084 0.000227 364 C 30 Z 0.000021 0.000055 0.000067 0.000013 0.000736 365 C 30 XX 0.000011 0.000019 0.000006 0.000019 0.000037 366 C 30 YY -0.000007 -0.000004 -0.000003 -0.000043 0.000010 367 C 30 ZZ -0.000004 -0.000015 -0.000003 0.000024 -0.000046 368 C 30 XY -0.000026 0.000004 0.000005 0.000028 0.000007 369 C 30 XZ -0.000063 0.000026 0.000008 -0.000017 -0.000043 370 C 30 YZ 0.000052 -0.000038 0.000003 0.000071 0.000018 371 H 31 S 0.000008 0.000013 0.000031 0.000068 0.000162 372 H 31 S -0.000143 -0.000016 0.000005 -0.000170 0.000134 373 H 31 X -0.000007 -0.000006 0.000015 -0.000010 -0.000029 374 H 31 Y 0.000008 -0.000005 -0.000005 0.000027 0.000026 375 H 31 Z -0.000002 0.000019 -0.000018 0.000019 -0.000024 376 H 32 S -0.000013 -0.000015 -0.000010 0.000046 0.000134 377 H 32 S 0.000127 -0.000071 -0.000061 0.000419 0.000427 378 H 32 X -0.000019 0.000001 -0.000002 0.000012 -0.000004 379 H 32 Y 0.000013 -0.000005 0.000002 -0.000015 -0.000001 380 H 32 Z 0.000003 0.000003 0.000003 -0.000047 -0.000067 381 H 33 S -0.000018 0.000015 0.000013 0.000010 0.000090 382 H 33 S 0.000007 0.000015 0.000026 -0.000068 -0.000061 383 H 33 X -0.000011 0.000007 0.000011 0.000008 -0.000007 384 H 33 Y -0.000008 -0.000006 -0.000010 0.000001 0.000001 385 H 33 Z -0.000008 -0.000013 -0.000010 -0.000020 -0.000011 386 H 34 S 0.000001 0.000003 -0.000001 -0.000059 -0.000051 387 H 34 S -0.000008 0.000002 -0.000000 0.000124 0.000214 388 H 34 X -0.000000 0.000001 -0.000000 0.000024 0.000029 389 H 34 Y -0.000004 -0.000002 0.000001 0.000041 0.000063 390 H 34 Z -0.000001 -0.000001 -0.000000 -0.000009 -0.000014 391 F 35 S -0.000001 -0.000002 -0.000000 -0.004065 0.000770 392 F 35 S -0.000002 -0.000004 -0.000000 0.253107 -0.041111 393 F 35 S 0.000011 0.000014 0.000003 0.279028 -0.046979 394 F 35 X 0.000001 -0.000001 0.000000 0.046565 -0.006940 395 F 35 Y -0.000000 0.000001 -0.000000 0.004908 0.002497 396 F 35 Z 0.000001 -0.000001 0.000000 -0.019198 0.003600 397 F 35 X -0.000007 0.000011 -0.000003 0.024766 -0.004167 398 F 35 Y -0.000001 -0.000004 -0.000002 0.002575 -0.001693 399 F 35 Z -0.000002 0.000003 -0.000001 -0.011424 0.001746 400 F 35 XX -0.000001 0.000000 -0.000000 0.004898 -0.000751 401 F 35 YY 0.000000 -0.000000 0.000000 -0.003085 0.000492 402 F 35 ZZ 0.000000 -0.000000 0.000000 -0.001813 0.000259 403 F 35 XY -0.000000 -0.000000 -0.000000 0.000973 0.000136 404 F 35 XZ 0.000000 0.000000 0.000000 -0.003864 0.000654 405 F 35 YZ 0.000000 0.000000 0.000000 -0.000393 0.000079 406 F 36 S 0.000002 -0.000001 0.000001 -0.004285 0.000713 407 F 36 S 0.000004 -0.000001 0.000002 0.246123 -0.041246 408 F 36 S -0.000021 0.000009 -0.000008 0.274404 -0.046716 409 F 36 X -0.000000 -0.000001 0.000000 -0.001875 0.000375 410 F 36 Y 0.000000 -0.000000 0.000000 -0.004309 0.004177 411 F 36 Z -0.000000 -0.000000 0.000000 0.048587 -0.007059 412 F 36 X -0.000002 0.000003 -0.000001 -0.001866 0.000116 413 F 36 Y -0.000002 -0.000001 -0.000001 -0.002595 0.001022 414 F 36 Z -0.000005 0.000005 -0.000002 0.027379 -0.004420 415 F 36 XX 0.000000 0.000000 0.000000 -0.003141 0.000430 416 F 36 YY -0.000000 -0.000000 -0.000000 -0.002996 0.000423 417 F 36 ZZ -0.000000 0.000000 -0.000000 0.006136 -0.000852 418 F 36 XY -0.000000 0.000000 0.000000 0.000048 0.000119 419 F 36 XZ -0.000000 -0.000000 -0.000000 -0.000483 0.000087 420 F 36 YZ -0.000000 0.000000 -0.000000 -0.000963 0.000569 421 C 37 S 0.000003 -0.000004 0.000002 -0.000056 -0.000010 422 C 37 S 0.000000 -0.000006 0.000004 -0.000068 0.000028 423 C 37 S -0.000335 -0.000185 0.000090 0.003202 0.008051 424 C 37 X -0.000010 0.000003 0.000001 -0.000142 -0.000214 425 C 37 Y 0.000014 0.000007 -0.000004 0.000017 0.000006 426 C 37 Z -0.000005 0.000002 0.000001 -0.000046 -0.000008 427 C 37 X -0.000099 0.000038 -0.000073 0.000768 -0.000689 428 C 37 Y -0.000616 -0.000200 0.000135 -0.001543 0.002847 429 C 37 Z -0.000046 -0.000011 0.000044 -0.000219 0.000174 430 C 37 XX 0.000025 -0.000009 0.000007 0.000004 -0.000113 431 C 37 YY -0.000020 0.000007 -0.000005 0.000051 0.000134 432 C 37 ZZ -0.000005 0.000001 -0.000002 -0.000055 -0.000021 433 C 37 XY 0.000035 0.000004 -0.000000 0.000078 -0.000076 434 C 37 XZ 0.000006 -0.000002 -0.000001 0.000009 0.000055 435 C 37 YZ -0.000007 -0.000003 -0.000003 0.000031 -0.000032 436 S 38 S -0.000000 -0.000002 0.000000 0.000007 0.000001 437 S 38 S -0.000001 -0.000016 0.000002 0.000024 -0.000016 438 S 38 S -0.000003 -0.000017 0.000002 0.000458 0.000813 439 S 38 S -0.000090 0.000192 0.000001 -0.001112 0.001283 440 S 38 X -0.000002 0.000002 0.000001 0.000192 0.000183 441 S 38 Y 0.000004 -0.000004 0.000001 0.000018 -0.000082 442 S 38 Z 0.000000 -0.000000 -0.000000 -0.000022 0.000048 443 S 38 X -0.000003 0.000001 0.000001 0.000317 0.000045 444 S 38 Y 0.000017 -0.000019 0.000003 -0.000258 -0.000772 445 S 38 Z -0.000002 -0.000000 -0.000007 -0.000081 0.000144 446 S 38 X 0.000057 0.000050 -0.000028 -0.004156 -0.005977 447 S 38 Y 0.000114 -0.000052 -0.000015 -0.000978 -0.002581 448 S 38 Z 0.000016 -0.000007 0.000001 0.000187 -0.000281 449 S 38 XX 0.000010 -0.000003 0.000001 -0.000452 -0.000535 450 S 38 YY -0.000010 0.000007 -0.000002 0.000512 0.000724 451 S 38 ZZ 0.000000 -0.000004 0.000001 -0.000060 -0.000189 452 S 38 XY 0.000006 -0.000002 0.000002 0.000308 0.000685 453 S 38 XZ 0.000003 0.000003 0.000000 0.000035 0.000093 454 S 38 YZ 0.000000 0.000003 -0.000002 0.000017 -0.000026 455 S 38 XX -0.000001 0.000000 -0.000000 0.000025 0.000032 456 S 38 YY 0.000001 -0.000000 0.000000 -0.000016 -0.000020 457 S 38 ZZ 0.000000 0.000000 -0.000000 -0.000009 -0.000012 458 S 38 XY -0.000001 0.000000 -0.000000 -0.000001 -0.000007 459 S 38 XZ -0.000000 -0.000000 -0.000000 -0.000001 -0.000004 460 S 38 YZ -0.000000 -0.000000 0.000000 -0.000001 0.000000 461 H 39 S -0.000030 -0.000006 0.000008 -0.000361 -0.000214 462 H 39 S 0.000144 0.000026 0.000032 -0.000479 -0.000288 463 H 39 X -0.000009 -0.000008 0.000002 -0.000003 0.000026 464 H 39 Y 0.000021 0.000007 -0.000006 0.000045 -0.000074 465 H 39 Z 0.000003 0.000000 -0.000002 -0.000002 -0.000005 36 37 38 39 40 -1.6710 -1.6309 -1.6169 -1.6132 -1.2313 A A A A A 1 C 1 S 0.000075 0.000027 -0.000258 0.000001 -0.003230 2 C 1 S 0.000167 0.000054 -0.000415 -0.000015 0.059634 3 C 1 S -0.000645 0.003329 -0.002499 -0.004326 0.035537 4 C 1 X 0.000073 -0.000194 0.000083 0.000048 -0.013875 5 C 1 Y 0.000230 0.000060 -0.000227 -0.000210 0.017600 6 C 1 Z -0.000001 0.000061 0.000004 0.000058 0.001849 7 C 1 X 0.000035 -0.000397 -0.000730 0.001950 0.003847 8 C 1 Y -0.005964 -0.000105 0.005348 0.004922 -0.004616 9 C 1 Z -0.000141 -0.000253 0.000376 -0.001047 -0.001200 10 C 1 XX -0.000048 0.000101 0.000114 0.000008 0.002598 11 C 1 YY 0.000009 -0.000090 0.000108 0.000056 0.001841 12 C 1 ZZ 0.000040 -0.000011 -0.000222 -0.000064 -0.004440 13 C 1 XY 0.000042 0.000012 -0.000163 -0.000028 -0.000537 14 C 1 XZ -0.000007 0.000008 -0.000025 0.000114 -0.000673 15 C 1 YZ -0.000002 -0.000022 0.000022 -0.000019 0.000289 16 C 2 S -0.000328 0.000473 -0.000214 0.000221 -0.004599 17 C 2 S 0.000130 0.000670 -0.000307 0.000077 0.074737 18 C 2 S 0.013686 -0.013851 0.006658 -0.001131 0.034524 19 C 2 X -0.000466 0.000200 -0.000091 -0.000048 0.012276 20 C 2 Y 0.000471 -0.000152 -0.000019 -0.000044 0.028908 21 C 2 Z 0.000120 0.000052 0.000145 -0.000147 -0.000011 22 C 2 X -0.002480 -0.001056 0.005704 0.006881 0.006664 23 C 2 Y 0.011444 -0.006443 0.002806 -0.005952 0.003453 24 C 2 Z 0.000620 0.000183 -0.000076 0.001281 -0.000342 25 C 2 XX -0.000101 -0.000150 -0.000110 0.000001 0.000511 26 C 2 YY 0.000332 -0.000078 0.000070 -0.000267 0.003104 27 C 2 ZZ -0.000231 0.000228 0.000040 0.000266 -0.003615 28 C 2 XY -0.000438 0.000186 0.000240 0.000432 -0.003095 29 C 2 XZ -0.000061 0.000031 0.000028 0.000043 -0.000634 30 C 2 YZ 0.000093 0.000082 -0.000033 0.000268 0.000231 31 C 3 S 0.000446 0.000439 -0.001020 -0.000767 -0.010204 32 C 3 S 0.002896 0.000447 -0.001376 -0.001373 0.142514 33 C 3 S -0.015356 -0.014156 0.043983 0.019138 0.084231 34 C 3 X -0.001703 0.000579 -0.000608 0.000383 -0.002279 35 C 3 Y -0.000179 0.000222 0.000301 0.000052 0.024714 36 C 3 Z 0.000216 0.000533 -0.000170 0.000631 0.001064 37 C 3 X 0.011804 0.007511 -0.038853 -0.018235 0.003503 38 C 3 Y 0.017507 -0.020007 0.016614 -0.002299 -0.001461 39 C 3 Z -0.000195 -0.001119 -0.000822 -0.001648 0.000443 40 C 3 XX -0.000103 -0.000473 0.001063 0.000058 0.006129 41 C 3 YY -0.000321 0.000106 -0.000301 0.000159 0.003475 42 C 3 ZZ 0.000425 0.000367 -0.000762 -0.000217 -0.009604 43 C 3 XY -0.000038 0.000314 -0.001204 -0.000545 -0.002409 44 C 3 XZ -0.000126 -0.000370 0.000327 -0.000726 0.001535 45 C 3 YZ -0.000051 0.000191 -0.000183 0.000519 0.001238 46 C 4 S -0.000121 -0.000083 -0.000215 -0.000401 -0.011107 47 C 4 S -0.000014 -0.000145 -0.000327 -0.000616 0.136879 48 C 4 S -0.008218 0.004645 0.005688 0.010767 0.117626 49 C 4 X 0.000212 -0.000265 -0.000012 -0.000191 -0.023087 50 C 4 Y -0.000215 -0.000074 0.000228 0.000076 0.005054 51 C 4 Z -0.000240 0.000002 0.000119 0.000127 -0.013021 52 C 4 X -0.000069 -0.003528 0.000605 -0.001837 -0.004551 53 C 4 Y 0.003910 -0.001285 -0.009850 -0.004318 0.004216 54 C 4 Z 0.006098 -0.001078 -0.003588 -0.004136 0.011286 55 C 4 XX 0.000301 0.000295 -0.000210 -0.000105 -0.000118 56 C 4 YY -0.000084 -0.000248 0.000257 0.000177 0.002459 57 C 4 ZZ -0.000217 -0.000047 -0.000047 -0.000072 -0.002341 58 C 4 XY 0.000092 0.000161 0.000104 0.000260 0.001434 59 C 4 XZ -0.000020 0.000049 -0.000032 0.000041 0.001304 60 C 4 YZ 0.000106 -0.000012 0.000101 -0.000111 -0.001609 61 S 5 S -0.000069 0.000032 0.000013 0.000047 -0.000039 62 S 5 S -0.000477 0.000229 0.000076 0.000323 -0.002274 63 S 5 S -0.000485 0.000260 0.000063 0.000346 0.071117 64 S 5 S 0.005063 -0.000679 -0.003795 -0.003826 0.051095 65 S 5 X -0.000124 0.000007 0.000142 0.000102 0.002633 66 S 5 Y 0.000006 -0.000002 -0.000009 -0.000013 -0.000159 67 S 5 Z 0.000001 0.000002 -0.000012 -0.000020 -0.000601 68 S 5 X -0.000419 0.000032 0.000407 0.000311 -0.028620 69 S 5 Y 0.000021 0.000008 -0.000024 -0.000028 0.002898 70 S 5 Z 0.000002 0.000007 -0.000034 -0.000065 0.004613 71 S 5 X -0.002059 0.000651 0.001322 0.001413 -0.008778 72 S 5 Y -0.000660 0.000696 -0.000055 0.000898 0.000026 73 S 5 Z 0.000169 0.000138 -0.000657 0.000125 0.001609 74 S 5 XX 0.000163 -0.000212 0.000023 -0.000093 0.005576 75 S 5 YY 0.000061 0.000124 0.000008 -0.000028 0.001248 76 S 5 ZZ -0.000224 0.000087 -0.000031 0.000121 -0.006824 77 S 5 XY -0.000001 -0.000058 0.000035 -0.000017 -0.002107 78 S 5 XZ -0.000017 -0.000001 0.000179 0.000012 -0.002806 79 S 5 YZ -0.000002 0.000023 -0.000040 -0.000064 0.001409 80 S 5 XX -0.000006 0.000010 -0.000003 0.000003 0.000724 81 S 5 YY -0.000003 -0.000006 -0.000000 0.000001 0.000306 82 S 5 ZZ 0.000009 -0.000004 0.000003 -0.000004 -0.001030 83 S 5 XY -0.000000 0.000003 -0.000001 0.000002 -0.000283 84 S 5 XZ 0.000000 -0.000000 -0.000009 0.000000 -0.000410 85 S 5 YZ 0.000000 -0.000001 0.000001 0.000004 0.000228 86 H 6 S 0.000224 -0.000104 0.000323 0.000104 0.018737 87 H 6 S 0.004409 -0.001778 0.002599 -0.002293 0.000006 88 H 6 X 0.000306 -0.000014 -0.000118 -0.000169 0.002083 89 H 6 Y 0.000107 0.000018 0.000036 -0.000166 0.002866 90 H 6 Z -0.000084 0.000029 -0.000021 0.000051 0.000034 91 C 7 S -0.000567 0.000588 -0.000157 -0.000577 -0.010314 92 C 7 S 0.000576 0.000386 -0.000968 -0.000849 0.149763 93 C 7 S 0.016305 -0.021964 -0.008900 0.021811 0.114139 94 C 7 X -0.001226 0.001002 0.001192 -0.000251 -0.000000 95 C 7 Y 0.000007 0.000084 0.000533 -0.000229 -0.027549 96 C 7 Z 0.000570 0.000322 0.000441 0.000029 -0.000724 97 C 7 X 0.004424 0.003750 -0.001900 -0.019020 0.001140 98 C 7 Y -0.014638 0.013250 0.002231 -0.008550 -0.010367 99 C 7 Z -0.002350 -0.001194 -0.002098 0.004440 0.000254 100 C 7 XX 0.000096 -0.000450 -0.000653 0.000405 0.006365 101 C 7 YY 0.000112 -0.000120 0.000071 -0.000002 0.004394 102 C 7 ZZ -0.000208 0.000570 0.000582 -0.000403 -0.010759 103 C 7 XY 0.000339 -0.000397 -0.000426 0.000881 0.002548 104 C 7 XZ 0.000024 -0.000024 -0.000213 -0.000212 -0.003482 105 C 7 YZ -0.000178 -0.000077 -0.000264 -0.000196 0.000509 106 C 8 S -0.000034 -0.000017 0.000169 -0.000168 -0.003684 107 C 8 S -0.000050 -0.000040 0.000274 -0.000278 0.068133 108 C 8 S -0.003761 0.002606 0.001483 0.002804 0.033968 109 C 8 X 0.000027 0.000007 -0.000063 0.000089 -0.010004 110 C 8 Y 0.000107 -0.000043 0.000042 0.000087 -0.022191 111 C 8 Z -0.000003 -0.000024 -0.000008 0.000028 -0.003433 112 C 8 X -0.001533 0.001119 0.005204 -0.000545 0.003277 113 C 8 Y 0.000980 -0.000868 -0.004075 -0.005579 0.014618 114 C 8 Z 0.000238 -0.000114 -0.000485 -0.000669 0.001487 115 C 8 XX 0.000105 -0.000048 -0.000261 -0.000003 0.002022 116 C 8 YY -0.000090 0.000049 0.000212 0.000143 0.002552 117 C 8 ZZ -0.000015 -0.000002 0.000049 -0.000141 -0.004574 118 C 8 XY 0.000048 -0.000132 -0.000172 0.000023 0.000126 119 C 8 XZ 0.000027 -0.000000 -0.000026 -0.000041 0.000289 120 C 8 YZ -0.000027 0.000003 0.000025 0.000041 0.001042 121 C 9 S 0.000032 -0.000205 -0.000085 -0.000174 -0.011112 122 C 9 S 0.000183 -0.000364 -0.000132 -0.000276 0.145694 123 C 9 S -0.009002 0.005355 0.003755 0.004730 0.097461 124 C 9 X 0.000251 -0.000228 -0.000073 -0.000027 -0.018337 125 C 9 Y 0.000181 0.000049 -0.000177 -0.000090 -0.000796 126 C 9 Z 0.000072 -0.000030 -0.000114 0.000012 0.016103 127 C 9 X 0.001851 -0.002693 -0.001588 -0.000802 -0.004635 128 C 9 Y -0.008360 0.001079 0.002970 0.007709 -0.006608 129 C 9 Z -0.003710 0.002794 0.006401 0.001301 -0.015792 130 C 9 XX -0.000053 0.000184 0.000074 0.000032 0.000043 131 C 9 YY 0.000120 -0.000047 -0.000033 0.000046 0.001802 132 C 9 ZZ -0.000067 -0.000136 -0.000040 -0.000078 -0.001846 133 C 9 XY -0.000082 -0.000016 -0.000139 -0.000048 -0.001136 134 C 9 XZ 0.000010 -0.000133 -0.000114 0.000014 -0.001326 135 C 9 YZ -0.000169 0.000060 0.000049 0.000107 -0.001447 136 C 10 S -0.000943 0.001283 -0.000178 -0.000326 -0.010146 137 C 10 S 0.008077 0.000920 0.002579 0.001408 0.163362 138 C 10 S 0.026492 -0.000897 -0.006555 -0.029783 0.078603 139 C 10 X -0.006984 -0.000213 -0.002412 -0.000158 0.017938 140 C 10 Y 0.002285 -0.000986 -0.001660 -0.000504 -0.016639 141 C 10 Z 0.001738 0.002262 0.004736 0.001179 -0.004811 142 C 10 X -0.029781 0.022055 0.010626 -0.012147 -0.013255 143 C 10 Y 0.005280 0.008247 0.003017 -0.017388 -0.013055 144 C 10 Z 0.005999 -0.002253 0.006026 0.000029 0.005101 145 C 10 XX 0.002262 -0.000125 0.001028 -0.000605 0.003837 146 C 10 YY -0.000312 -0.000182 -0.000655 0.000445 0.005858 147 C 10 ZZ -0.001950 0.000307 -0.000372 0.000159 -0.009695 148 C 10 XY -0.002514 0.001437 0.001836 -0.000719 0.003531 149 C 10 XZ -0.001534 -0.001392 -0.003910 0.000025 -0.001491 150 C 10 YZ 0.000159 -0.000244 0.000002 0.000639 -0.000278 151 C 11 S -0.001955 0.000553 -0.000071 0.000079 -0.009801 152 C 11 S 0.010424 -0.000022 0.001064 0.003158 0.157558 153 C 11 S 0.045280 0.012302 -0.041815 -0.023170 0.079597 154 C 11 X -0.010152 -0.000262 0.001050 -0.002388 0.014303 155 C 11 Y -0.005784 0.000487 0.000311 0.000414 0.021241 156 C 11 Z 0.000614 0.002117 -0.000953 0.005015 0.001096 157 C 11 X -0.020529 0.020254 -0.040730 -0.009147 0.006291 158 C 11 Y -0.023063 0.002559 0.025609 0.011700 0.004719 159 C 11 Z -0.000149 0.002285 -0.005039 0.003794 0.000020 160 C 11 XX 0.003272 0.000353 -0.001623 0.000938 0.004960 161 C 11 YY 0.000260 -0.000277 0.001091 -0.000347 0.004863 162 C 11 ZZ -0.003531 -0.000076 0.000532 -0.000591 -0.009824 163 C 11 XY 0.004112 -0.001130 0.001459 -0.000198 -0.003404 164 C 11 XZ -0.000513 -0.001022 0.001057 -0.003801 0.000450 165 C 11 YZ 0.000067 -0.000001 0.000140 -0.000653 -0.000627 166 C 12 S 0.000539 -0.001904 0.000563 -0.001223 0.000318 167 C 12 S 0.068096 -0.002652 0.012911 -0.000370 0.076916 168 C 12 S -0.060401 0.026142 0.004295 0.005987 0.024666 169 C 12 X -0.008838 -0.002476 -0.000745 0.000896 0.036954 170 C 12 Y 0.037462 -0.018650 -0.051518 -0.009930 -0.035579 171 C 12 Z 0.018697 0.041531 0.100986 0.013507 -0.015009 172 C 12 X -0.003073 0.000898 0.001236 0.006970 0.010570 173 C 12 Y 0.023107 -0.012588 -0.000448 -0.000636 -0.010896 174 C 12 Z 0.009813 0.007369 0.005102 -0.000355 -0.013527 175 C 12 XX -0.007912 0.000804 -0.001359 -0.000008 0.007044 176 C 12 YY 0.001137 -0.007996 -0.022282 -0.003843 -0.000966 177 C 12 ZZ 0.006776 0.007192 0.023641 0.003852 -0.006078 178 C 12 XY -0.007172 0.004103 0.006556 0.000683 -0.000108 179 C 12 XZ -0.003997 -0.005371 -0.013436 -0.001841 0.000088 180 C 12 YZ -0.007433 0.003668 0.016801 0.004065 0.002330 181 C 13 S -0.000740 0.000482 0.000446 0.000522 0.000725 182 C 13 S -0.082652 0.002862 0.003344 0.004428 0.058547 183 C 13 S 0.072700 -0.016285 0.001480 -0.000583 0.018997 184 C 13 X 0.050069 -0.066329 0.022415 0.028383 0.036202 185 C 13 Y -0.004002 -0.012902 0.004186 0.004564 0.001638 186 C 13 Z 0.035154 0.094587 -0.025315 -0.031945 0.017607 187 C 13 X 0.023148 -0.007927 -0.000839 -0.001949 0.006631 188 C 13 Y -0.004857 -0.000995 -0.004717 0.001018 -0.001703 189 C 13 Z 0.016996 0.006287 0.003063 0.004114 0.014061 190 C 13 XX -0.006376 0.027467 -0.008811 -0.011708 0.001603 191 C 13 YY 0.017797 -0.001431 -0.000916 -0.000404 0.002786 192 C 13 ZZ -0.011422 -0.026036 0.009727 0.012112 -0.004388 193 C 13 XY -0.003778 0.003061 -0.001439 -0.001093 -0.000284 194 C 13 XZ 0.007796 -0.009404 0.004956 0.007205 0.002480 195 C 13 YZ 0.002761 0.002055 0.001966 -0.002584 0.000882 196 C 14 S -0.000045 -0.001856 -0.000870 -0.000182 0.000379 197 C 14 S 0.103291 -0.003578 -0.004454 0.009777 0.074100 198 C 14 S -0.066011 0.023640 -0.007668 0.003482 0.030777 199 C 14 X -0.009452 -0.005944 0.004002 -0.012240 0.030210 200 C 14 Y -0.058089 0.007461 -0.004748 0.028136 0.041154 201 C 14 Z 0.012045 0.037470 -0.030930 0.107363 -0.004750 202 C 14 X -0.001325 -0.001331 0.004889 0.003064 0.011705 203 C 14 Y -0.025413 0.008957 -0.002627 -0.000351 0.015344 204 C 14 Z 0.007712 0.007117 -0.001997 0.008305 -0.008058 205 C 14 XX -0.013344 0.002029 0.000002 0.001076 0.006243 206 C 14 YY 0.000984 -0.005269 0.003969 -0.014200 -0.000133 207 C 14 ZZ 0.012361 0.003240 -0.003971 0.013124 -0.006110 208 C 14 XY 0.007684 -0.001255 -0.000116 0.000815 0.001462 209 C 14 XZ -0.005744 -0.004663 0.003920 -0.011654 0.001541 210 C 14 YZ 0.006773 -0.006191 0.006232 -0.028814 -0.000630 211 F 15 S -0.002550 -0.000977 -0.003922 -0.000325 -0.000328 212 F 15 S 0.139081 0.122705 0.340273 0.048102 -0.033302 213 F 15 S 0.159215 0.127988 0.374146 0.051326 -0.037750 214 F 15 X 0.006398 0.003315 0.012529 0.002271 0.010556 215 F 15 Y 0.000397 -0.005072 -0.009509 -0.001959 -0.009045 216 F 15 Z -0.024212 -0.014367 -0.036854 -0.004723 -0.014946 217 F 15 X 0.004051 0.000976 0.006586 0.000597 0.004812 218 F 15 Y -0.001277 -0.001777 -0.006315 -0.000623 -0.001619 219 F 15 Z -0.015571 -0.005757 -0.017138 -0.001159 -0.009577 220 F 15 XX -0.001378 -0.000611 -0.001724 -0.000233 -0.000309 221 F 15 YY -0.001551 -0.000765 -0.001977 -0.000195 -0.000533 222 F 15 ZZ 0.002929 0.001376 0.003701 0.000428 0.000842 223 F 15 XY -0.000085 -0.000022 -0.000419 -0.000107 -0.000227 224 F 15 XZ -0.001329 -0.000712 -0.002160 -0.000283 -0.000942 225 F 15 YZ 0.000027 0.000535 0.001655 0.000277 0.000644 226 F 16 S -0.002835 0.001272 0.003105 0.000360 -0.000102 227 F 16 S 0.151451 -0.112758 -0.295473 -0.051119 -0.028591 228 F 16 S 0.173547 -0.122183 -0.323082 -0.054884 -0.035584 229 F 16 X 0.007041 -0.004541 -0.010985 -0.001741 0.010862 230 F 16 Y -0.020465 0.012873 0.029296 0.004675 -0.014475 231 F 16 Z 0.015188 -0.002599 -0.008595 -0.002182 0.001651 232 F 16 X 0.003712 -0.002183 -0.005884 -0.001473 0.004353 233 F 16 Y -0.014244 0.007223 0.012621 0.001597 -0.007674 234 F 16 Z 0.008152 -0.000317 -0.002773 -0.000882 0.003650 235 F 16 XX -0.001338 0.000583 0.001127 0.000171 -0.000199 236 F 16 YY 0.001693 -0.001276 -0.002643 -0.000360 0.000776 237 F 16 ZZ -0.000356 0.000693 0.001516 0.000189 -0.000577 238 F 16 XY -0.001093 0.000750 0.001700 0.000256 -0.000834 239 F 16 XZ 0.000736 -0.000356 -0.000727 -0.000110 0.000329 240 F 16 YZ -0.002552 0.000658 0.001823 0.000372 -0.000438 241 F 17 S -0.004211 0.001216 -0.001032 0.003019 -0.000048 242 F 17 S 0.225482 -0.096862 0.074931 -0.301563 -0.027115 243 F 17 S 0.258269 -0.106010 0.083459 -0.328714 -0.034106 244 F 17 X 0.004288 -0.001900 0.001537 -0.005938 0.007651 245 F 17 Y 0.026739 -0.010978 0.007593 -0.027903 0.014453 246 F 17 Z 0.029008 -0.004747 0.003240 -0.015755 0.005310 247 F 17 X 0.001671 -0.000407 0.000477 -0.003648 0.002383 248 F 17 Y 0.017802 -0.006525 0.004250 -0.011778 0.006708 249 F 17 Z 0.016917 -0.001730 0.001222 -0.006245 0.005061 250 F 17 XX -0.002422 0.000691 -0.000440 0.001575 -0.000395 251 F 17 YY 0.001306 -0.000946 0.000660 -0.002043 0.000671 252 F 17 ZZ 0.001116 0.000256 -0.000220 0.000468 -0.000277 253 F 17 XY 0.000500 -0.000222 0.000185 -0.000743 0.000495 254 F 17 XZ 0.000543 -0.000290 0.000190 -0.000614 0.000368 255 F 17 YZ 0.004393 -0.001010 0.000735 -0.002902 0.000780 256 F 18 S -0.003660 -0.000858 0.001217 -0.003639 -0.000312 257 F 18 S 0.205589 0.100388 -0.095695 0.333294 -0.031695 258 F 18 S 0.233371 0.104942 -0.105494 0.364401 -0.036165 259 F 18 X 0.010617 0.002314 -0.003045 0.012284 0.009196 260 F 18 Y 0.008833 0.007412 -0.004995 0.018823 0.012444 261 F 18 Z -0.034933 -0.010396 0.009829 -0.031617 -0.011247 262 F 18 X 0.006351 0.000390 -0.001623 0.005877 0.004956 263 F 18 Y 0.006423 0.002538 -0.002973 0.009885 0.004279 264 F 18 Z -0.021541 -0.004286 0.004901 -0.013656 -0.008024 265 F 18 XX -0.001962 -0.000467 0.000461 -0.001643 -0.000275 266 F 18 YY -0.001833 -0.000347 0.000331 -0.000803 -0.000124 267 F 18 ZZ 0.003795 0.000814 -0.000793 0.002447 0.000398 268 F 18 XY 0.000617 0.000144 -0.000219 0.000942 0.000466 269 F 18 XZ -0.002086 -0.000553 0.000571 -0.001895 -0.000757 270 F 18 YZ -0.001973 -0.000921 0.000863 -0.003022 -0.000946 271 C 19 S -0.000136 0.000063 0.000055 -0.000091 -0.000685 272 C 19 S -0.000234 0.000109 0.000098 -0.000154 0.019487 273 C 19 S 0.001192 -0.000589 0.000217 0.002909 -0.004031 274 C 19 X -0.000000 -0.000013 -0.000055 -0.000045 -0.005484 275 C 19 Y -0.000018 0.000008 -0.000033 -0.000040 -0.008466 276 C 19 Z 0.000001 -0.000000 -0.000011 0.000002 -0.001223 277 C 19 X -0.000338 0.000148 -0.000698 -0.000932 0.004295 278 C 19 Y -0.000914 0.000402 0.000678 -0.000816 0.003405 279 C 19 Z -0.000181 0.000118 0.000198 -0.000263 0.000537 280 C 19 XX -0.000038 0.000016 0.000148 0.000049 -0.000359 281 C 19 YY 0.000074 -0.000019 -0.000120 -0.000038 0.001150 282 C 19 ZZ -0.000036 0.000002 -0.000028 -0.000011 -0.000791 283 C 19 XY 0.000043 -0.000007 0.000068 0.000031 0.001510 284 C 19 XZ 0.000011 -0.000000 0.000012 0.000005 0.000205 285 C 19 YZ 0.000025 -0.000002 -0.000012 -0.000015 0.000311 286 H 20 S -0.000045 0.000003 -0.000045 -0.000110 0.006260 287 H 20 S 0.000119 0.000002 0.000190 0.000186 -0.000956 288 H 20 X -0.000031 0.000012 0.000082 0.000029 -0.001156 289 H 20 Y -0.000006 0.000004 0.000034 0.000006 -0.000082 290 H 20 Z 0.000003 -0.000002 -0.000001 0.000009 -0.000058 291 H 21 S -0.000103 0.000064 0.000071 -0.000072 0.006313 292 H 21 S 0.000186 -0.000052 -0.000208 -0.000148 -0.000428 293 H 21 X 0.000015 -0.000010 -0.000015 -0.000014 -0.000072 294 H 21 Y 0.000027 -0.000018 -0.000072 -0.000006 -0.000636 295 H 21 Z 0.000025 -0.000006 -0.000025 -0.000021 0.000730 296 C 22 S -0.000046 0.000114 -0.000164 -0.000008 -0.000606 297 C 22 S -0.000087 0.000196 -0.000279 -0.000003 0.016503 298 C 22 S -0.002605 -0.001215 0.004288 0.002684 -0.001198 299 C 22 X 0.000083 -0.000021 -0.000042 -0.000073 -0.003969 300 C 22 Y -0.000099 -0.000037 0.000087 0.000118 0.007745 301 C 22 Z -0.000009 -0.000004 0.000008 0.000001 0.000585 302 C 22 X 0.000341 0.000743 -0.001078 -0.000738 0.001046 303 C 22 Y -0.000922 -0.000388 0.001292 0.000881 -0.003286 304 C 22 Z -0.000087 0.000026 0.000052 0.000342 0.000294 305 C 22 XX 0.000023 -0.000021 0.000023 -0.000014 -0.000339 306 C 22 YY 0.000063 -0.000024 -0.000040 -0.000059 0.000971 307 C 22 ZZ -0.000086 0.000045 0.000017 0.000073 -0.000632 308 C 22 XY 0.000074 0.000037 -0.000048 -0.000112 -0.001307 309 C 22 XZ 0.000002 0.000006 -0.000001 -0.000017 -0.000043 310 C 22 YZ 0.000000 -0.000000 -0.000003 0.000036 0.000182 311 H 23 S -0.000022 0.000138 -0.000121 -0.000033 0.005432 312 H 23 S -0.000158 0.000088 -0.000339 0.000058 -0.000323 313 H 23 X -0.000036 0.000020 -0.000016 0.000027 0.000489 314 H 23 Y -0.000023 -0.000013 -0.000007 0.000046 0.000858 315 H 23 Z 0.000003 -0.000008 0.000003 -0.000018 0.000005 316 H 24 S 0.000097 0.000014 -0.000156 -0.000124 0.005117 317 H 24 S 0.000003 -0.000090 0.000131 0.000053 -0.000523 318 H 24 X 0.000005 -0.000032 0.000021 0.000009 -0.000435 319 H 24 Y -0.000009 0.000010 0.000010 0.000016 0.000319 320 H 24 Z -0.000039 0.000018 0.000022 0.000017 -0.000591 321 H 25 S 0.000094 0.000029 -0.000149 -0.000090 0.005303 322 H 25 S 0.000036 -0.000066 -0.000000 -0.000005 -0.000295 323 H 25 X 0.000002 -0.000033 0.000028 0.000034 -0.000426 324 H 25 Y -0.000007 0.000005 0.000005 -0.000027 0.000245 325 H 25 Z 0.000042 -0.000016 -0.000027 -0.000042 0.000663 326 C 26 S 0.000071 -0.000175 -0.000115 -0.000020 -0.001876 327 C 26 S 0.000144 -0.000313 -0.000198 -0.000036 0.056735 328 C 26 S -0.001880 0.002110 0.003411 0.000179 0.006539 329 C 26 X 0.000042 0.000009 0.000031 0.000023 -0.002678 330 C 26 Y 0.000039 0.000011 -0.000011 0.000003 0.003954 331 C 26 Z -0.000035 0.000021 0.000111 -0.000024 0.028876 332 C 26 X -0.000489 -0.000210 0.000199 0.000201 0.001053 333 C 26 Y 0.000186 -0.000222 0.000243 -0.000427 -0.001251 334 C 26 Z -0.001396 0.000594 0.001871 0.001401 -0.009351 335 C 26 XX -0.000047 0.000071 -0.000044 -0.000131 -0.002656 336 C 26 YY 0.000099 -0.000062 -0.000063 -0.000042 -0.002494 337 C 26 ZZ -0.000052 -0.000009 0.000107 0.000173 0.005150 338 C 26 XY 0.000206 0.000014 -0.000012 -0.000075 0.000176 339 C 26 XZ 0.000177 -0.000053 0.000000 0.000006 0.000033 340 C 26 YZ 0.000201 0.000048 -0.000015 -0.000144 0.001452 341 H 27 S 0.000037 -0.000104 -0.000197 -0.000053 0.021395 342 H 27 S -0.000658 -0.000731 0.000639 0.001202 -0.004645 343 H 27 X -0.000242 -0.000023 0.000039 0.000084 0.001849 344 H 27 Y -0.000089 -0.000076 0.000055 0.000103 0.001766 345 H 27 Z 0.000050 -0.000039 -0.000014 0.000096 0.000960 346 H 28 S 0.000178 -0.000057 -0.000160 0.000023 0.018498 347 H 28 S -0.000360 -0.000033 0.000146 0.000649 -0.003277 348 H 28 X 0.000061 0.000031 0.000020 -0.000037 0.000216 349 H 28 Y 0.000006 -0.000022 -0.000009 0.000011 -0.002175 350 H 28 Z 0.000078 -0.000037 -0.000040 -0.000022 0.001664 351 H 29 S 0.000214 -0.000131 -0.000058 0.000079 0.016521 352 H 29 S -0.000039 0.000152 0.000036 0.000131 -0.000876 353 H 29 X -0.000058 0.000047 -0.000005 -0.000042 -0.002314 354 H 29 Y 0.000034 0.000003 -0.000003 0.000046 0.000938 355 H 29 Z -0.000008 0.000034 0.000016 0.000004 0.001678 356 C 30 S 0.000042 -0.000044 0.000070 0.000039 -0.001684 357 C 30 S 0.000098 -0.000079 0.000134 0.000104 0.056579 358 C 30 S -0.003437 0.000318 0.001405 0.001189 0.005955 359 C 30 X 0.000071 -0.000001 -0.000031 -0.000078 -0.004706 360 C 30 Y 0.000042 0.000032 0.000024 -0.000011 -0.003784 361 C 30 Z 0.000137 0.000022 -0.000097 -0.000068 -0.028181 362 C 30 X -0.000235 0.000321 0.000547 0.000831 0.000706 363 C 30 Y -0.000022 -0.000367 0.000260 0.000345 0.003000 364 C 30 Z 0.001352 -0.000347 -0.001252 -0.000672 0.010656 365 C 30 XX 0.000023 0.000113 -0.000189 -0.000051 -0.002403 366 C 30 YY -0.000004 -0.000074 0.000041 0.000011 -0.002422 367 C 30 ZZ -0.000019 -0.000039 0.000148 0.000040 0.004825 368 C 30 XY -0.000109 0.000110 0.000063 0.000110 -0.000016 369 C 30 XZ -0.000168 0.000071 0.000076 0.000052 0.000627 370 C 30 YZ 0.000079 0.000032 -0.000237 -0.000091 0.001354 371 H 31 S 0.000093 -0.000050 -0.000069 0.000033 0.017917 372 H 31 S -0.000076 -0.000192 0.000274 0.000395 -0.002300 373 H 31 X 0.000047 -0.000007 -0.000100 -0.000093 -0.000360 374 H 31 Y 0.000058 0.000053 -0.000107 -0.000039 0.002032 375 H 31 Z 0.000014 0.000049 0.000022 -0.000044 -0.001838 376 H 32 S 0.000061 -0.000056 0.000081 0.000156 0.021892 377 H 32 S 0.000006 0.000539 0.000942 0.000411 -0.006862 378 H 32 X -0.000117 0.000140 0.000238 0.000063 0.002082 379 H 32 Y 0.000035 0.000007 -0.000133 -0.000078 -0.001366 380 H 32 Z -0.000048 0.000049 -0.000029 0.000002 -0.001018 381 H 33 S 0.000256 -0.000068 0.000018 -0.000095 0.016801 382 H 33 S 0.000179 0.000165 -0.000110 -0.000517 -0.001164 383 H 33 X -0.000057 0.000023 -0.000035 0.000029 -0.002118 384 H 33 Y -0.000055 0.000049 -0.000020 0.000034 -0.001396 385 H 33 Z 0.000002 -0.000024 -0.000037 -0.000025 -0.001519 386 H 34 S -0.000090 0.000066 0.000068 -0.000047 0.006329 387 H 34 S 0.000206 -0.000161 -0.000421 0.000076 -0.000486 388 H 34 X 0.000022 -0.000013 -0.000022 -0.000008 0.000005 389 H 34 Y 0.000037 -0.000012 -0.000065 -0.000031 -0.000470 390 H 34 Z -0.000012 0.000007 0.000015 0.000003 -0.000853 391 F 35 S 0.003630 -0.003356 0.000963 0.001101 0.000030 392 F 35 S -0.190415 0.303748 -0.095620 -0.122803 -0.016804 393 F 35 S -0.219585 0.330471 -0.104766 -0.133696 -0.022369 394 F 35 X -0.029560 0.037296 -0.010333 -0.012716 0.011174 395 F 35 Y -0.003948 0.002931 -0.000118 -0.001826 0.000718 396 F 35 Z 0.015805 -0.005254 0.002702 0.003560 0.001014 397 F 35 X -0.019573 0.017286 -0.004275 -0.004859 0.005611 398 F 35 Y -0.001807 0.001183 0.001096 -0.001358 0.000679 399 F 35 Z 0.008651 -0.000891 0.001011 0.001214 -0.001445 400 F 35 XX -0.003131 0.004155 -0.001093 -0.001324 0.000826 401 F 35 YY 0.002037 -0.002012 0.000527 0.000677 -0.000342 402 F 35 ZZ 0.001095 -0.002143 0.000566 0.000647 -0.000484 403 F 35 XY -0.000711 0.000588 -0.000055 -0.000291 0.000109 404 F 35 XZ 0.002892 -0.001313 0.000488 0.000626 -0.000057 405 F 35 YZ 0.000283 -0.000069 0.000152 -0.000050 0.000008 406 F 36 S 0.003158 0.003205 -0.001229 -0.001524 -0.000171 407 F 36 S -0.192650 -0.305519 0.097554 0.126207 -0.027610 408 F 36 S -0.217916 -0.330261 0.109534 0.141591 -0.031907 409 F 36 X 0.003510 -0.008074 0.002298 0.002440 0.009818 410 F 36 Y 0.002556 0.002585 -0.002845 0.000434 -0.000394 411 F 36 Z -0.033136 -0.036100 0.010603 0.013793 0.015238 412 F 36 X 0.000874 -0.005206 0.002044 0.002399 0.002198 413 F 36 Y 0.001732 0.001029 -0.001743 0.000729 -0.000581 414 F 36 Z -0.020923 -0.016080 0.004855 0.006368 0.008892 415 F 36 XX 0.001981 0.002059 -0.000556 -0.000694 -0.000446 416 F 36 YY 0.002209 0.001894 -0.000674 -0.000898 -0.000562 417 F 36 ZZ -0.004190 -0.003954 0.001231 0.001592 0.001008 418 F 36 XY -0.000110 0.000108 -0.000088 0.000010 -0.000045 419 F 36 XZ 0.000566 -0.001157 0.000482 0.000629 0.000646 420 F 36 YZ 0.000630 0.000527 -0.000205 -0.000173 -0.000104 421 C 37 S -0.000331 0.000111 0.000099 -0.000021 -0.006174 422 C 37 S -0.000517 0.000151 0.000125 -0.000051 0.079838 423 C 37 S 0.007913 -0.002928 -0.006915 -0.006851 0.058976 424 C 37 X -0.000072 0.000032 0.000143 0.000112 -0.032581 425 C 37 Y -0.000148 0.000085 0.000082 0.000004 -0.003192 426 C 37 Z -0.000010 -0.000028 -0.000121 0.000032 -0.002613 427 C 37 X -0.004259 0.001982 0.001164 0.002450 -0.019047 428 C 37 Y 0.000895 -0.001790 -0.003957 -0.002025 0.004879 429 C 37 Z -0.000336 -0.000448 -0.000732 0.000533 0.001054 430 C 37 XX 0.000155 -0.000074 -0.000041 0.000066 0.000734 431 C 37 YY 0.000083 -0.000079 -0.000148 -0.000030 0.003923 432 C 37 ZZ -0.000238 0.000153 0.000189 -0.000036 -0.004657 433 C 37 XY 0.000140 -0.000050 0.000004 0.000046 0.003169 434 C 37 XZ 0.000083 0.000014 0.000079 -0.000096 0.000841 435 C 37 YZ 0.000018 0.000022 0.000035 -0.000081 0.001643 436 S 38 S -0.000076 0.000080 0.000006 0.000012 0.000156 437 S 38 S -0.000554 0.000581 0.000100 0.000086 -0.001127 438 S 38 S -0.000141 0.000420 -0.000405 -0.000002 0.085432 439 S 38 S 0.005817 -0.004747 0.001978 0.001210 0.058972 440 S 38 X 0.000055 -0.000075 -0.000314 -0.000028 -0.001335 441 S 38 Y -0.000112 0.000058 -0.000128 -0.000063 0.002785 442 S 38 Z 0.000057 -0.000022 -0.000062 -0.000033 0.000008 443 S 38 X -0.000131 -0.000042 -0.000494 0.000006 0.014398 444 S 38 Y -0.000639 0.000309 -0.000125 -0.000134 -0.031273 445 S 38 Z 0.000206 -0.000032 -0.000034 -0.000149 -0.000943 446 S 38 X -0.001738 0.001048 0.006163 0.002110 0.005644 447 S 38 Y -0.002993 0.002356 0.001210 0.000309 -0.008645 448 S 38 Z -0.000314 0.000494 0.001106 -0.000345 0.000017 449 S 38 XX -0.000163 0.000001 0.000169 -0.000065 0.001056 450 S 38 YY 0.000335 -0.000125 -0.000160 -0.000047 0.007601 451 S 38 ZZ -0.000171 0.000125 -0.000009 0.000112 -0.008657 452 S 38 XY 0.000302 -0.000164 -0.000455 -0.000391 -0.001047 453 S 38 XZ 0.000049 -0.000011 0.000014 -0.000008 0.000144 454 S 38 YZ -0.000078 -0.000136 -0.000208 0.000189 0.000323 455 S 38 XX 0.000010 -0.000003 -0.000019 -0.000000 0.000088 456 S 38 YY -0.000004 0.000002 0.000005 0.000004 0.001298 457 S 38 ZZ -0.000005 0.000001 0.000014 -0.000003 -0.001386 458 S 38 XY 0.000000 0.000002 0.000009 0.000014 -0.000095 459 S 38 XZ -0.000003 -0.000002 -0.000006 -0.000000 0.000011 460 S 38 YZ 0.000004 0.000004 0.000007 -0.000011 0.000092 461 H 39 S 0.000010 -0.000112 0.000123 -0.000026 0.020732 462 H 39 S 0.001256 -0.000725 -0.000389 -0.000638 0.004841 463 H 39 X 0.000088 -0.000036 -0.000025 -0.000013 -0.003557 464 H 39 Y -0.000002 0.000049 0.000135 0.000057 0.000252 465 H 39 Z 0.000029 0.000014 0.000004 -0.000032 0.000054 41 42 43 44 45 -1.1744 -1.1694 -1.0975 -1.0652 -1.0602 A A A A A 1 C 1 S 0.001641 -0.010821 -0.010885 -0.007639 0.005153 2 C 1 S -0.020909 0.174656 0.172118 0.113512 -0.067465 3 C 1 S -0.016388 0.126505 0.150069 0.108983 -0.089955 4 C 1 X -0.001619 -0.033149 -0.021573 -0.002963 -0.043166 5 C 1 Y -0.006149 0.031630 -0.009184 -0.025737 0.003727 6 C 1 Z -0.000323 0.003799 0.000342 -0.001836 0.002951 7 C 1 X 0.003050 0.002215 -0.000105 0.001002 0.000876 8 C 1 Y -0.000490 -0.007558 -0.020058 -0.021955 0.002481 9 C 1 Z -0.000623 -0.001159 -0.000689 0.000758 0.000168 10 C 1 XX -0.000650 0.007868 0.006952 0.003547 0.001097 11 C 1 YY -0.001356 0.005222 0.004968 0.004340 -0.007025 12 C 1 ZZ 0.002006 -0.013091 -0.011920 -0.007888 0.005929 13 C 1 XY -0.001253 -0.001606 -0.004320 -0.003864 -0.004429 14 C 1 XZ 0.000242 -0.001958 -0.001819 -0.001264 0.000359 15 C 1 YZ -0.000064 0.000965 0.001198 0.000947 -0.000260 16 C 2 S 0.000541 -0.010877 -0.007014 -0.003619 -0.006008 17 C 2 S -0.002636 0.168564 0.117274 0.044490 0.066965 18 C 2 S -0.013800 0.097282 0.058836 0.031079 0.079381 19 C 2 X -0.011665 0.050992 0.055857 0.040875 -0.039855 20 C 2 Y 0.003678 0.036714 -0.013095 -0.029260 0.048030 21 C 2 Z 0.000167 -0.001723 -0.005376 -0.004871 0.003378 22 C 2 X -0.001058 0.015097 0.006510 0.001494 0.016485 23 C 2 Y -0.011491 0.019864 0.007933 0.011784 0.015040 24 C 2 Z 0.000074 0.000196 0.000799 -0.001424 -0.000037 25 C 2 XX -0.000640 0.005222 0.008534 0.006609 -0.004084 26 C 2 YY 0.000340 0.002488 -0.004405 -0.005344 0.008061 27 C 2 ZZ 0.000300 -0.007709 -0.004129 -0.001265 -0.003977 28 C 2 XY -0.002352 -0.003519 -0.003341 -0.002043 -0.006421 29 C 2 XZ -0.000019 -0.001240 -0.000953 -0.000522 -0.000286 30 C 2 YZ -0.000004 0.000615 0.000208 -0.000363 0.000638 31 C 3 S -0.002808 -0.010544 0.001769 0.004393 -0.012230 32 C 3 S 0.028405 0.143893 -0.030940 -0.060344 0.179432 33 C 3 S 0.016546 0.118476 -0.031334 -0.047048 0.148505 34 C 3 X -0.043498 0.040131 0.004734 0.003316 -0.075502 35 C 3 Y 0.007467 -0.028594 -0.067498 -0.023992 0.002637 36 C 3 Z -0.002113 0.003029 -0.005991 -0.006608 -0.002751 37 C 3 X 0.014953 -0.031921 0.006093 0.003078 -0.040673 38 C 3 Y -0.017801 0.008981 -0.017931 0.006994 0.018354 39 C 3 Z -0.001353 -0.000736 -0.000963 0.004125 0.001009 40 C 3 XX 0.002082 0.003491 -0.004500 -0.005558 0.005927 41 C 3 YY -0.001229 0.006970 0.003116 0.002885 0.003477 42 C 3 ZZ -0.000852 -0.010461 0.001384 0.002673 -0.009404 43 C 3 XY -0.005348 -0.002582 -0.006168 -0.006031 -0.011687 44 C 3 XZ 0.000118 0.001473 -0.001423 -0.001283 0.000859 45 C 3 YZ -0.000429 0.001804 -0.000407 -0.000522 0.000131 46 C 4 S 0.005844 -0.010731 0.008790 0.006753 0.003694 47 C 4 S -0.063029 0.114944 -0.114182 -0.093905 -0.054793 48 C 4 S -0.066617 0.115476 -0.106820 -0.093696 -0.047598 49 C 4 X -0.011114 -0.006159 0.022179 0.004034 -0.059042 50 C 4 Y -0.022293 -0.048630 -0.038848 -0.003413 -0.036586 51 C 4 Z 0.008596 0.002498 -0.000160 -0.015049 0.006716 52 C 4 X -0.000324 -0.003026 0.009682 0.005101 -0.032543 53 C 4 Y -0.003353 -0.030374 -0.019088 0.003117 -0.012057 54 C 4 Z 0.002236 0.006404 -0.014798 -0.016576 -0.006819 55 C 4 XX 0.003861 0.003780 0.003371 0.000593 0.005756 56 C 4 YY -0.004136 -0.000492 0.000346 0.002145 -0.002772 57 C 4 ZZ 0.000275 -0.003288 -0.003717 -0.002737 -0.002984 58 C 4 XY 0.002180 0.001372 -0.001380 -0.002564 0.010608 59 C 4 XZ 0.000719 -0.000459 -0.002039 0.000340 0.003635 60 C 4 YZ 0.002800 0.005289 0.004166 -0.000627 0.003106 61 S 5 S 0.000040 -0.000118 0.000013 -0.000080 -0.000085 62 S 5 S 0.001318 -0.004506 -0.000949 -0.000709 0.001538 63 S 5 S -0.042464 0.150625 0.054394 0.007575 -0.132350 64 S 5 S -0.032223 0.109879 0.042037 0.010693 -0.103235 65 S 5 X -0.001304 0.004885 0.000905 -0.000304 -0.002217 66 S 5 Y 0.000246 0.001286 0.003082 0.002319 -0.000626 67 S 5 Z 0.000266 -0.000973 0.000183 0.000507 0.000506 68 S 5 X 0.013541 -0.051274 -0.009350 0.003305 0.023322 69 S 5 Y -0.004777 -0.020087 -0.046704 -0.036537 0.004566 70 S 5 Z -0.002396 0.008056 -0.003334 -0.005876 -0.003877 71 S 5 X 0.004176 -0.014954 -0.002440 -0.000661 0.005197 72 S 5 Y 0.000676 -0.003225 -0.012687 -0.010676 0.005027 73 S 5 Z -0.000300 0.002744 0.000182 -0.001645 -0.000237 74 S 5 XX -0.002025 0.008125 -0.002194 -0.003449 -0.000596 75 S 5 YY -0.001377 0.004850 0.006657 0.004946 -0.005986 76 S 5 ZZ 0.003402 -0.012975 -0.004463 -0.001497 0.006581 77 S 5 XY 0.002056 0.005925 0.017468 0.012875 -0.000232 78 S 5 XZ 0.001333 -0.004303 0.001293 0.002382 0.001926 79 S 5 YZ -0.000982 0.001774 -0.001603 -0.001927 -0.001322 80 S 5 XX -0.000231 0.001144 -0.000246 -0.000544 0.000085 81 S 5 YY -0.000289 0.000883 0.001080 0.000829 -0.001276 82 S 5 ZZ 0.000520 -0.002026 -0.000833 -0.000285 0.001190 83 S 5 XY 0.000326 0.000926 0.002605 0.001966 -0.000024 84 S 5 XZ 0.000215 -0.000684 0.000215 0.000411 0.000359 85 S 5 YZ -0.000132 0.000329 -0.000237 -0.000320 -0.000275 86 H 6 S 0.001559 0.045432 0.040608 0.019170 0.029878 87 H 6 S -0.003941 0.005423 0.003474 0.005816 0.005925 88 H 6 X -0.000056 0.005743 0.005762 0.003648 0.001630 89 H 6 Y 0.000698 0.005297 0.003712 0.001092 0.004565 90 H 6 Z 0.000022 0.000041 -0.000013 -0.000008 0.000198 91 C 7 S 0.003915 0.008191 0.002599 -0.011696 -0.000817 92 C 7 S -0.057806 -0.109426 -0.051120 0.194144 0.016557 93 C 7 S -0.065291 -0.098486 -0.049314 0.164311 0.022011 94 C 7 X -0.059284 0.004866 -0.002925 -0.070343 -0.035158 95 C 7 Y -0.027629 -0.011829 0.061973 -0.009061 0.012249 96 C 7 Z 0.008506 0.001085 0.003190 0.008215 0.011712 97 C 7 X 0.004151 0.006095 0.000300 -0.017046 -0.009645 98 C 7 Y 0.012346 -0.002432 0.022785 -0.002627 0.003541 99 C 7 Z -0.000258 -0.000420 -0.002332 0.005454 0.002824 100 C 7 XX -0.001068 -0.002850 -0.006020 0.003504 -0.006340 101 C 7 YY -0.005085 -0.005296 0.004110 0.007142 0.007449 102 C 7 ZZ 0.006154 0.008146 0.001909 -0.010647 -0.001109 103 C 7 XY 0.004245 -0.003650 0.002216 0.008487 0.006905 104 C 7 XZ 0.002467 0.002164 0.002585 -0.003244 0.000599 105 C 7 YZ -0.001064 -0.000283 0.000134 -0.001197 -0.001445 106 C 8 S 0.008672 0.006958 -0.011736 0.006697 -0.005285 107 C 8 S -0.135831 -0.107494 0.175967 -0.106869 0.069809 108 C 8 S -0.096990 -0.087328 0.166785 -0.083774 0.090546 109 C 8 X 0.007703 0.012283 0.004240 -0.049572 -0.004164 110 C 8 Y 0.034141 0.020707 0.005274 0.008768 0.032160 111 C 8 Z 0.005606 0.003778 0.000148 0.000369 0.004737 112 C 8 X -0.001959 -0.006087 0.012951 -0.017738 0.004233 113 C 8 Y -0.007277 -0.002014 0.008052 -0.018860 0.002520 114 C 8 Z -0.000342 0.000514 0.000062 -0.002966 -0.000529 115 C 8 XX -0.003082 -0.004404 0.005680 0.005425 0.005048 116 C 8 YY -0.006378 -0.003579 0.007001 -0.011232 0.001067 117 C 8 ZZ 0.009460 0.007983 -0.012680 0.005806 -0.006115 118 C 8 XY 0.000006 0.000417 0.001453 -0.001929 0.002124 119 C 8 XZ -0.000430 -0.000447 0.001015 -0.000233 0.000833 120 C 8 YZ -0.002345 -0.001665 0.002901 -0.002536 0.000953 121 C 9 S 0.010584 0.003314 0.008284 0.002044 0.008610 122 C 9 S -0.131673 -0.041182 -0.109100 -0.025554 -0.111655 123 C 9 S -0.100495 -0.022904 -0.090235 -0.023344 -0.103934 124 C 9 X -0.010325 0.010824 0.022960 -0.060288 -0.023360 125 C 9 Y -0.023879 -0.050804 0.043442 0.020029 0.008309 126 C 9 Z -0.006548 0.005557 -0.004248 -0.007920 0.011973 127 C 9 X -0.004977 0.005340 0.007391 -0.026093 -0.003307 128 C 9 Y -0.013185 -0.011458 0.020188 0.008498 0.013573 129 C 9 Z 0.007249 0.010587 0.016420 -0.002752 0.017232 130 C 9 XX 0.001078 -0.004690 0.001408 0.007684 0.002856 131 C 9 YY -0.003273 0.002729 0.002536 -0.006428 0.000930 132 C 9 ZZ 0.002196 0.001961 -0.003944 -0.001256 -0.003786 133 C 9 XY -0.002247 -0.000184 0.003520 -0.009003 -0.001450 134 C 9 XZ -0.001044 0.000727 0.001398 -0.003742 -0.002104 135 C 9 YZ -0.001856 -0.005623 0.004810 0.003204 0.000852 136 C 10 S -0.007696 0.006277 0.002058 -0.010007 -0.004101 137 C 10 S 0.124899 -0.093951 -0.033140 0.162626 0.023627 138 C 10 S 0.084935 -0.062971 -0.016431 0.103680 0.034484 139 C 10 X -0.052997 0.002355 -0.052034 0.052906 0.057405 140 C 10 Y -0.045153 -0.017060 0.000300 0.072814 -0.036935 141 C 10 Z 0.002195 0.004038 0.003949 -0.008430 0.000095 142 C 10 X 0.021179 0.016601 0.013503 -0.012446 -0.002318 143 C 10 Y -0.001689 0.021755 0.001587 0.004464 -0.019396 144 C 10 Z 0.000645 -0.003197 0.001585 -0.001951 -0.002932 145 C 10 XX 0.004319 -0.004429 0.000012 0.007245 -0.010565 146 C 10 YY 0.005373 -0.001335 -0.000559 -0.000200 0.011272 147 C 10 ZZ -0.009693 0.005764 0.000547 -0.007046 -0.000707 148 C 10 XY -0.000101 -0.005304 0.000059 0.006533 -0.000883 149 C 10 XZ -0.001670 0.001058 0.000599 -0.002169 0.000496 150 C 10 YZ 0.000917 0.000070 0.000625 -0.001399 -0.000885 151 C 11 S -0.009851 -0.000258 0.001407 0.001326 -0.010131 152 C 11 S 0.151008 0.000480 -0.024080 -0.054567 0.167390 153 C 11 S 0.103120 -0.017129 -0.014440 -0.028096 0.074225 154 C 11 X -0.041945 0.043732 -0.047822 0.019752 0.073855 155 C 11 Y 0.020749 -0.039321 -0.012416 0.061368 -0.038065 156 C 11 Z -0.000356 0.003002 -0.002550 -0.000808 0.006558 157 C 11 X 0.014159 -0.033415 0.006743 -0.001020 -0.014840 158 C 11 Y 0.004237 0.023161 -0.006928 0.009606 0.002076 159 C 11 Z 0.004625 -0.002728 0.001366 -0.003195 -0.005712 160 C 11 XX 0.006631 0.001878 0.000504 -0.013618 0.004484 161 C 11 YY 0.004293 -0.003147 -0.000980 0.010114 0.002647 162 C 11 ZZ -0.010925 0.001270 0.000476 0.003504 -0.007131 163 C 11 XY -0.003190 -0.003828 -0.000234 0.000713 -0.004660 164 C 11 XZ 0.000704 -0.000148 -0.000240 -0.001022 0.000606 165 C 11 YZ -0.000250 0.000121 -0.000037 0.000255 -0.000227 166 C 12 S -0.000105 -0.000157 0.000520 -0.000355 -0.001696 167 C 12 S 0.133436 -0.069538 0.058367 0.028465 -0.133378 168 C 12 S 0.074153 -0.025098 0.040108 0.013677 -0.067997 169 C 12 X 0.030838 -0.025966 -0.011383 0.069792 0.026850 170 C 12 Y -0.068587 0.027872 -0.032747 0.027647 0.056087 171 C 12 Z -0.027449 0.012876 -0.013318 0.005050 0.027540 172 C 12 X 0.023602 -0.010891 0.006288 0.014050 -0.009142 173 C 12 Y -0.025805 0.009577 -0.014888 -0.006957 0.031513 174 C 12 Z -0.023058 0.009066 -0.009957 0.003602 0.015506 175 C 12 XX 0.005572 -0.005228 -0.000449 0.008218 0.000183 176 C 12 YY 0.002907 0.000521 0.003100 -0.007485 -0.004250 177 C 12 ZZ -0.008479 0.004707 -0.002651 -0.000734 0.004067 178 C 12 XY 0.000106 -0.001298 0.002332 -0.002192 -0.006364 179 C 12 XZ 0.001482 -0.000032 0.001320 -0.002784 -0.002468 180 C 12 YZ 0.003579 -0.001654 0.001788 -0.001372 -0.002922 181 C 13 S 0.000472 0.000127 0.000822 -0.000966 -0.001513 182 C 13 S 0.134498 -0.052355 0.088524 -0.104120 -0.161888 183 C 13 S 0.060821 -0.026338 0.041379 -0.059939 -0.090066 184 C 13 X 0.071611 -0.027302 0.033068 -0.032572 -0.043259 185 C 13 Y 0.001548 -0.005447 0.000084 0.034723 -0.026339 186 C 13 Z 0.036567 -0.014516 0.019220 -0.017137 -0.031706 187 C 13 X 0.024801 -0.011697 0.019858 -0.025924 -0.040850 188 C 13 Y -0.002295 -0.000508 -0.000195 0.006130 -0.007134 189 C 13 Z 0.027625 -0.011226 0.012215 -0.014449 -0.024123 190 C 13 XX 0.002727 -0.000901 0.000257 -0.000059 0.001324 191 C 13 YY 0.005981 -0.002434 0.003275 -0.003069 -0.005553 192 C 13 ZZ -0.008708 0.003335 -0.003532 0.003127 0.004229 193 C 13 XY -0.000827 -0.000620 -0.000485 0.005575 -0.003143 194 C 13 XZ 0.004370 -0.001769 0.001675 -0.001120 -0.002023 195 C 13 YZ 0.001772 -0.000725 0.000781 0.000678 -0.002301 196 C 14 S 0.000356 -0.000158 0.000919 -0.001359 -0.001810 197 C 14 S 0.140052 -0.034931 0.062746 -0.132748 -0.020251 198 C 14 S 0.068914 -0.023276 0.034620 -0.067919 -0.000156 199 C 14 X 0.028608 0.005983 -0.012528 -0.002439 0.082392 200 C 14 Y 0.076507 -0.025380 0.033188 -0.045108 -0.037387 201 C 14 Z -0.011184 0.004488 -0.007395 0.011319 0.012711 202 C 14 X 0.021239 -0.003395 0.002581 -0.011499 0.018463 203 C 14 Y 0.031738 -0.011516 0.017915 -0.032242 -0.004880 204 C 14 Z -0.014025 0.006549 -0.005618 0.004667 0.011431 205 C 14 XX 0.007221 0.001039 0.000617 -0.004743 0.006283 206 C 14 YY 0.002456 -0.002966 0.002606 -0.000013 -0.007544 207 C 14 ZZ -0.009677 0.001927 -0.003224 0.004756 0.001262 208 C 14 XY -0.000120 -0.000010 -0.002948 0.004399 0.008446 209 C 14 XZ 0.002663 -0.000804 0.001111 -0.001661 -0.001422 210 C 14 YZ -0.000843 0.000030 -0.000633 0.000824 0.000888 211 F 15 S -0.000488 0.000227 -0.000221 -0.000002 0.000451 212 F 15 S -0.052884 0.026765 -0.021069 -0.008029 0.045688 213 F 15 S -0.063533 0.032458 -0.026939 -0.012167 0.060665 214 F 15 X 0.014357 -0.009538 0.001614 0.020912 -0.004524 215 F 15 Y -0.019688 0.008215 -0.011089 0.008377 0.022011 216 F 15 Z -0.033900 0.017212 -0.021032 -0.005252 0.054335 217 F 15 X 0.007157 -0.004394 0.001523 0.009306 -0.003068 218 F 15 Y -0.005202 0.001888 -0.003460 0.004875 0.007362 219 F 15 Z -0.020495 0.010667 -0.012507 -0.003195 0.032776 220 F 15 XX -0.000882 0.000393 -0.000664 0.000372 0.001616 221 F 15 YY -0.001077 0.000598 -0.000566 -0.000413 0.001481 222 F 15 ZZ 0.001959 -0.000991 0.001230 0.000042 -0.003096 223 F 15 XY -0.000440 0.000168 -0.000150 0.000044 0.000249 224 F 15 XZ -0.001372 0.000858 -0.000355 -0.001260 0.000863 225 F 15 YZ 0.001353 -0.000565 0.000722 -0.000509 -0.001410 226 F 16 S -0.000018 0.000260 -0.000179 -0.000562 0.000788 227 F 16 S -0.041162 0.025799 -0.017705 -0.019152 0.043566 228 F 16 S -0.055178 0.031959 -0.023568 -0.020762 0.055268 229 F 16 X 0.011528 -0.011180 0.001712 0.028858 -0.005085 230 F 16 Y -0.032443 0.016954 -0.019599 -0.009037 0.056091 231 F 16 Z 0.004422 -0.003286 0.003531 0.007997 -0.013164 232 F 16 X 0.003214 -0.004984 0.000421 0.015372 -0.001309 233 F 16 Y -0.016221 0.009406 -0.010067 -0.006306 0.031915 234 F 16 Z 0.006393 -0.004081 0.003737 0.006068 -0.011761 235 F 16 XX -0.000734 0.000278 -0.000532 0.000286 0.001593 236 F 16 YY 0.001750 -0.000849 0.001046 -0.000105 -0.002765 237 F 16 ZZ -0.001016 0.000571 -0.000514 -0.000181 0.001173 238 F 16 XY -0.001083 0.000763 -0.000225 -0.001452 0.000761 239 F 16 XZ 0.000320 -0.000309 0.000015 0.000864 -0.000166 240 F 16 YZ -0.000864 0.000560 -0.000543 -0.000624 0.001766 241 F 17 S -0.000155 -0.000169 -0.000255 0.000846 -0.000148 242 F 17 S -0.045647 0.007621 -0.019540 0.045768 -0.001174 243 F 17 S -0.059361 0.011986 -0.024981 0.057106 0.000616 244 F 17 X 0.009438 0.002316 -0.000192 -0.007358 0.025047 245 F 17 Y 0.033391 -0.008513 0.019609 -0.049049 -0.008478 246 F 17 Z 0.013035 -0.001846 0.008574 -0.026105 0.003195 247 F 17 X 0.002214 0.002140 -0.000631 -0.002305 0.013079 248 F 17 Y 0.016007 -0.003319 0.010003 -0.027227 -0.004288 249 F 17 Z 0.010826 -0.001739 0.006741 -0.018802 0.001055 250 F 17 XX -0.000981 0.000288 -0.000596 0.001505 0.000431 251 F 17 YY 0.001515 -0.000465 0.000833 -0.001736 -0.000782 252 F 17 ZZ -0.000534 0.000177 -0.000238 0.000230 0.000351 253 F 17 XY 0.000643 0.000022 0.000007 -0.000452 0.001121 254 F 17 XZ 0.000418 0.000093 -0.000022 -0.000318 0.001030 255 F 17 YZ 0.001711 -0.000322 0.000968 -0.002591 -0.000176 256 F 18 S -0.000458 0.000213 -0.000252 0.000308 0.000422 257 F 18 S -0.054025 0.012654 -0.022144 0.046040 0.006516 258 F 18 S -0.065066 0.014063 -0.027916 0.062248 0.004035 259 F 18 X 0.014219 -0.000130 0.001886 -0.014060 0.022101 260 F 18 Y 0.027785 -0.008574 0.015516 -0.029901 -0.014399 261 F 18 Z -0.028189 0.007361 -0.018566 0.044396 0.010278 262 F 18 X 0.007732 -0.000709 0.002103 -0.007729 0.008617 263 F 18 Y 0.010333 -0.003319 0.006280 -0.012880 -0.007119 264 F 18 Z -0.018764 0.004830 -0.011893 0.028000 0.006957 265 F 18 XX -0.000880 0.000354 -0.000673 0.001243 0.001008 266 F 18 YY -0.000300 -0.000027 -0.000184 0.000743 -0.000289 267 F 18 ZZ 0.001180 -0.000326 0.000857 -0.001986 -0.000720 268 F 18 XY 0.000809 -0.000186 0.000252 -0.000624 0.000226 269 F 18 XZ -0.001251 0.000120 -0.000357 0.001254 -0.000969 270 F 18 YZ -0.002082 0.000622 -0.001140 0.002189 0.001010 271 C 19 S 0.002937 0.002299 -0.007100 0.005952 -0.004524 272 C 19 S -0.052612 -0.043761 0.125114 -0.099899 0.079454 273 C 19 S -0.012798 -0.009814 0.050193 -0.042281 0.038364 274 C 19 X 0.012685 0.011045 -0.023027 0.010146 -0.013106 275 C 19 Y 0.020665 0.016458 -0.034887 0.024992 -0.015691 276 C 19 Z 0.002996 0.002455 -0.005152 0.003450 -0.002350 277 C 19 X -0.002044 -0.000710 -0.001128 -0.001740 -0.002635 278 C 19 Y -0.002398 -0.002977 0.003981 -0.002442 0.002163 279 C 19 Z -0.000138 -0.000716 0.001122 0.000092 0.000826 280 C 19 XX 0.000756 0.000100 -0.000065 0.001559 0.000670 281 C 19 YY -0.002786 -0.001831 0.003830 -0.004110 0.001195 282 C 19 ZZ 0.002030 0.001731 -0.003765 0.002551 -0.001864 283 C 19 XY -0.003545 -0.003232 0.006321 -0.002860 0.003431 284 C 19 XZ -0.000505 -0.000446 0.000925 -0.000464 0.000478 285 C 19 YZ -0.000765 -0.000601 0.001291 -0.001024 0.000533 286 H 20 S -0.018509 -0.015009 0.047642 -0.043029 0.030947 287 H 20 S -0.000797 -0.001506 0.004737 -0.003534 0.004331 288 H 20 X 0.003227 0.002584 -0.007483 0.006471 -0.004709 289 H 20 Y -0.000105 0.000004 0.000608 -0.001093 0.000425 290 H 20 Z 0.000122 0.000141 -0.000318 0.000143 -0.000204 291 H 21 S -0.017857 -0.015330 0.048027 -0.038799 0.032982 292 H 21 S 0.000682 0.000620 0.000750 -0.001383 0.001443 293 H 21 X -0.000132 -0.000113 0.000807 -0.000885 0.000645 294 H 21 Y 0.001944 0.001692 -0.005127 0.004094 -0.003345 295 H 21 Z -0.001992 -0.001719 0.005248 -0.004112 0.003591 296 C 22 S 0.000578 -0.003760 -0.006556 -0.006265 0.004043 297 C 22 S -0.008096 0.067449 0.114094 0.105727 -0.073751 298 C 22 S -0.004367 0.016752 0.042486 0.045446 -0.035667 299 C 22 X 0.001350 -0.014500 -0.019115 -0.014230 0.005019 300 C 22 Y -0.003814 0.027587 0.034148 0.025612 -0.019728 301 C 22 Z -0.000256 0.002170 0.002708 0.001988 -0.001137 302 C 22 X 0.000132 0.002035 0.003218 0.002345 -0.003150 303 C 22 Y -0.000876 -0.003178 -0.002406 -0.001506 -0.000710 304 C 22 Z -0.000064 0.000154 -0.000745 -0.001042 -0.000145 305 C 22 XX 0.000461 -0.001158 -0.001070 -0.000787 0.002172 306 C 22 YY -0.000894 0.003770 0.004620 0.003664 -0.004018 307 C 22 ZZ 0.000433 -0.002612 -0.003550 -0.002877 0.001846 308 C 22 XY 0.000408 -0.004449 -0.005188 -0.003731 0.001480 309 C 22 XZ -0.000015 -0.000278 -0.000485 -0.000369 0.000022 310 C 22 YZ -0.000075 0.000612 0.000728 0.000498 -0.000369 311 H 23 S -0.002486 0.023902 0.044587 0.043118 -0.027352 312 H 23 S -0.000366 0.001611 0.004158 0.004323 -0.003102 313 H 23 X -0.000160 0.002231 0.004190 0.004025 -0.002300 314 H 23 Y -0.000413 0.003506 0.005682 0.005207 -0.003451 315 H 23 Z -0.000018 0.000118 0.000226 0.000220 -0.000098 316 H 24 S -0.002871 0.022798 0.042738 0.041928 -0.030518 317 H 24 S 0.000031 -0.000908 0.000423 0.001520 -0.001033 318 H 24 X 0.000242 -0.002174 -0.004203 -0.004017 0.002758 319 H 24 Y -0.000135 0.001024 0.001513 0.001274 -0.001013 320 H 24 Z 0.000388 -0.002638 -0.004823 -0.004727 0.003549 321 H 25 S -0.002979 0.022939 0.042629 0.041832 -0.030941 322 H 25 S 0.000020 -0.000720 0.000277 0.001399 -0.001188 323 H 25 X 0.000239 -0.002003 -0.003792 -0.003642 0.002540 324 H 25 Y -0.000102 0.000732 0.000989 0.000796 -0.000601 325 H 25 Z -0.000439 0.002914 0.005257 0.005148 -0.003872 326 C 26 S 0.002404 0.000866 0.003414 0.001239 0.005088 327 C 26 S -0.057100 -0.016457 -0.068459 -0.011746 -0.086203 328 C 26 S -0.012812 -0.001582 -0.017608 -0.008355 -0.031647 329 C 26 X -0.002148 0.001715 0.003148 -0.009002 -0.006000 330 C 26 Y -0.007947 -0.009099 0.000846 0.002270 -0.004982 331 C 26 Z -0.026447 -0.006973 -0.025697 -0.004643 -0.025745 332 C 26 X -0.002084 -0.003168 -0.003599 0.005892 -0.000259 333 C 26 Y -0.000317 0.006254 -0.000411 -0.000322 -0.001672 334 C 26 Z 0.001109 0.001724 0.000794 -0.002764 -0.001952 335 C 26 XX 0.002997 0.000909 0.002283 0.000258 0.002652 336 C 26 YY 0.002511 0.000323 0.002850 0.000989 0.002798 337 C 26 ZZ -0.005507 -0.001231 -0.005132 -0.001247 -0.005450 338 C 26 XY 0.000347 0.000099 -0.000046 -0.000095 -0.000058 339 C 26 XZ -0.000405 0.000139 0.000228 -0.000915 -0.000984 340 C 26 YZ -0.001858 -0.001357 -0.000793 0.000039 -0.001710 341 H 27 S -0.016472 -0.002476 -0.028969 -0.002054 -0.029228 342 H 27 S -0.005812 -0.000747 -0.004374 0.002556 -0.006605 343 H 27 X -0.002397 0.000009 -0.003313 -0.000740 -0.003819 344 H 27 Y -0.002360 -0.001109 -0.002922 0.000045 -0.003096 345 H 27 Z -0.001631 -0.000400 -0.000937 -0.000299 -0.001763 346 H 28 S -0.021908 -0.011182 -0.022681 -0.001989 -0.033962 347 H 28 S 0.003060 -0.000867 -0.003749 -0.000577 -0.002366 348 H 28 X -0.000519 -0.000091 -0.000339 -0.000773 -0.001173 349 H 28 Y 0.002520 0.001016 0.003537 0.000479 0.004640 350 H 28 Z -0.001400 -0.000406 -0.002453 -0.000375 -0.002691 351 H 29 S -0.019195 -0.002133 -0.024132 -0.009613 -0.037640 352 H 29 S 0.000226 0.003071 0.000372 -0.004470 -0.004493 353 H 29 X 0.002513 0.000274 0.003479 0.001015 0.004805 354 H 29 Y -0.001334 -0.000902 -0.001248 -0.000522 -0.002262 355 H 29 Z -0.001384 -0.000160 -0.001483 -0.000115 -0.001905 356 C 30 S 0.001070 -0.002106 0.003927 0.004155 0.002677 357 C 30 S -0.030833 0.054009 -0.075048 -0.076066 -0.038735 358 C 30 S -0.004045 0.010601 -0.020025 -0.026990 -0.017251 359 C 30 X -0.001780 -0.000851 0.004975 -0.000649 -0.009756 360 C 30 Y -0.000904 -0.012308 0.000152 0.004993 -0.001860 361 C 30 Z 0.014270 -0.023804 0.027226 0.023113 0.013279 362 C 30 X -0.000728 0.002309 -0.002454 -0.001714 0.007781 363 C 30 Y 0.005581 0.007386 -0.000378 -0.001438 0.000251 364 C 30 Z 0.000022 0.001964 -0.000079 0.001138 0.000649 365 C 30 XX 0.001824 -0.002887 0.002473 0.002322 0.001186 366 C 30 YY 0.001399 -0.001863 0.002891 0.002347 0.001684 367 C 30 ZZ -0.003223 0.004750 -0.005364 -0.004670 -0.002869 368 C 30 XY -0.000075 0.000355 -0.000111 -0.000351 -0.000175 369 C 30 XZ 0.000260 0.000381 -0.000597 -0.000308 0.000628 370 C 30 YZ -0.000490 0.001942 -0.001017 -0.001422 -0.000130 371 H 31 S -0.008753 0.024294 -0.025039 -0.030341 -0.013644 372 H 31 S 0.002968 -0.000596 -0.004592 -0.003656 -0.001451 373 H 31 X -0.000080 -0.000220 0.000509 0.000316 -0.000765 374 H 31 Y -0.001219 0.002430 -0.003820 -0.004145 -0.001985 375 H 31 Z 0.000822 -0.001447 0.002709 0.002477 0.001379 376 H 32 S -0.009883 0.014859 -0.031492 -0.026720 -0.010162 377 H 32 S -0.006631 0.003838 -0.004140 -0.005315 0.002883 378 H 32 X -0.001759 0.002092 -0.004013 -0.003834 -0.001901 379 H 32 Y 0.000637 -0.002234 0.002377 0.002260 0.000529 380 H 32 Z 0.001193 -0.001629 0.001392 0.001792 0.001077 381 H 33 S -0.013613 0.015310 -0.027255 -0.030959 -0.021409 382 H 33 S -0.002336 -0.001986 -0.000614 -0.001577 -0.005391 383 H 33 X 0.001770 -0.001648 0.003669 0.003534 0.002047 384 H 33 Y 0.000855 -0.002164 0.002237 0.002665 0.001775 385 H 33 Z 0.000729 -0.001290 0.001268 0.001326 0.000460 386 H 34 S -0.017852 -0.015158 0.047596 -0.038708 0.032691 387 H 34 S 0.000459 0.000837 0.000149 -0.001434 0.001105 388 H 34 X -0.000340 -0.000269 0.001281 -0.001304 0.000970 389 H 34 Y 0.001496 0.001266 -0.003825 0.003117 -0.002464 390 H 34 Z 0.002367 0.002037 -0.006142 0.004787 -0.004181 391 F 35 S -0.000209 0.000135 -0.000535 0.000630 0.001121 392 F 35 S -0.041596 0.016482 -0.029760 0.036669 0.057330 393 F 35 S -0.054227 0.020996 -0.036642 0.046729 0.071886 394 F 35 X 0.034287 -0.013767 0.032188 -0.045206 -0.070584 395 F 35 Y 0.002304 -0.001320 0.002323 0.003578 -0.010956 396 F 35 Z 0.000423 -0.000149 -0.002689 0.006105 0.008674 397 F 35 X 0.017234 -0.006836 0.017760 -0.025161 -0.039430 398 F 35 Y 0.001726 -0.001257 0.001668 0.002096 -0.006865 399 F 35 Z -0.004265 0.001800 -0.004288 0.006816 0.010390 400 F 35 XX 0.002171 -0.000850 0.001789 -0.002419 -0.003626 401 F 35 YY -0.000957 0.000369 -0.000868 0.001286 0.001795 402 F 35 ZZ -0.001214 0.000481 -0.000920 0.001134 0.001831 403 F 35 XY 0.000275 -0.000194 0.000254 0.000236 -0.001000 404 F 35 XZ -0.000355 0.000143 -0.000567 0.000968 0.001420 405 F 35 YZ 0.000002 0.000027 -0.000031 -0.000147 0.000263 406 F 36 S -0.000277 0.000065 -0.000129 0.000218 0.000392 407 F 36 S -0.055791 0.021876 -0.031583 0.035320 0.056034 408 F 36 S -0.069201 0.027743 -0.042707 0.048772 0.077173 409 F 36 X 0.020237 -0.007995 0.010097 -0.009786 -0.014363 410 F 36 Y -0.002160 -0.000327 -0.002445 0.014062 -0.002603 411 F 36 Z 0.041449 -0.016729 0.033874 -0.042993 -0.071207 412 F 36 X 0.004613 -0.001613 0.002022 -0.001519 -0.001647 413 F 36 Y -0.001764 0.000393 -0.001643 0.006683 0.000328 414 F 36 Z 0.023725 -0.009347 0.019533 -0.024965 -0.041168 415 F 36 XX -0.001293 0.000512 -0.001052 0.001343 0.002144 416 F 36 YY -0.001413 0.000567 -0.001012 0.001142 0.002017 417 F 36 ZZ 0.002706 -0.001079 0.002064 -0.002485 -0.004160 418 F 36 XY -0.000104 0.000025 -0.000057 0.000144 0.000027 419 F 36 XZ 0.001269 -0.000485 0.000590 -0.000572 -0.000793 420 F 36 YZ -0.000334 0.000067 -0.000285 0.000981 0.000112 421 C 37 S 0.009884 0.005687 -0.004458 0.008331 0.002920 422 C 37 S -0.133663 -0.080275 0.065377 -0.104712 -0.034446 423 C 37 S -0.073204 -0.041239 0.018761 -0.075495 -0.045739 424 C 37 X 0.042999 0.027208 -0.002249 0.004461 0.014681 425 C 37 Y -0.016122 -0.025897 0.074495 -0.025880 0.047798 426 C 37 Z 0.002577 0.000512 0.009150 -0.002463 0.010527 427 C 37 X 0.017320 0.011344 -0.000985 0.018897 0.014902 428 C 37 Y -0.003982 0.005800 -0.003117 -0.012874 -0.008391 429 C 37 Z -0.000889 0.001389 -0.001503 -0.001321 0.000350 430 C 37 XX 0.000572 -0.000395 -0.004487 0.004217 -0.002376 431 C 37 YY -0.006567 -0.002696 0.004493 -0.007487 -0.000479 432 C 37 ZZ 0.005994 0.003091 -0.000007 0.003269 0.002855 433 C 37 XY -0.001155 0.001421 -0.008642 0.000290 -0.006153 434 C 37 XZ -0.001067 -0.000803 -0.001060 0.000106 -0.001706 435 C 37 YZ -0.002429 -0.001136 0.000254 -0.001711 -0.001639 436 S 38 S -0.000135 -0.000237 0.000173 0.000140 0.000054 437 S 38 S 0.001675 0.001091 -0.000858 -0.000580 -0.000884 438 S 38 S -0.114946 -0.124326 0.119564 0.103027 0.082281 439 S 38 S -0.087710 -0.087305 0.091117 0.080393 0.065839 440 S 38 X 0.002597 0.002143 -0.003226 0.001083 -0.001328 441 S 38 Y -0.002298 -0.003053 0.000703 0.003687 0.000836 442 S 38 Z -0.000066 0.000012 -0.000128 0.000106 -0.000053 443 S 38 X -0.036087 -0.025212 0.045017 -0.028770 0.017852 444 S 38 Y 0.025977 0.032698 -0.001734 -0.050674 -0.003387 445 S 38 Z 0.000941 0.000587 0.001750 -0.000971 0.002397 446 S 38 X -0.008842 -0.009245 0.014168 -0.004554 0.003944 447 S 38 Y 0.010783 0.007277 -0.000303 -0.011143 -0.000860 448 S 38 Z 0.000759 -0.000505 0.001133 -0.000810 0.000279 449 S 38 XX -0.008037 -0.005080 0.015857 -0.014176 0.006487 450 S 38 YY -0.002364 -0.005696 -0.007366 0.020193 -0.001834 451 S 38 ZZ 0.010401 0.010776 -0.008491 -0.006017 -0.004653 452 S 38 XY 0.005098 0.001262 -0.002276 0.006049 0.001950 453 S 38 XZ -0.000319 -0.000300 0.000680 -0.000142 0.000605 454 S 38 YZ -0.000584 -0.000414 -0.000157 0.000655 -0.000460 455 S 38 XX -0.001187 -0.000684 0.002432 -0.002219 0.001008 456 S 38 YY -0.000515 -0.001109 -0.001002 0.003321 -0.000152 457 S 38 ZZ 0.001703 0.001793 -0.001429 -0.001101 -0.000856 458 S 38 XY 0.000581 0.000098 -0.000154 0.000883 0.000326 459 S 38 XZ -0.000047 -0.000050 0.000147 -0.000039 0.000114 460 S 38 YZ -0.000129 -0.000105 -0.000014 0.000067 -0.000070 461 H 39 S -0.038169 -0.019763 0.021471 -0.047166 -0.015729 462 H 39 S -0.004749 -0.002226 0.001874 -0.009237 -0.005153 463 H 39 X 0.006372 0.003234 -0.003371 0.006777 0.002116 464 H 39 Y -0.001575 -0.001738 0.003289 -0.001795 0.001528 465 H 39 Z -0.000084 0.000019 0.000370 -0.000392 0.000188 46 47 48 49 50 -1.0246 -0.9966 -0.9894 -0.9636 -0.9519 A A A A A 1 C 1 S 0.003118 0.001426 -0.003068 0.000569 -0.000330 2 C 1 S -0.047597 -0.011756 0.026248 0.005754 0.014390 3 C 1 S -0.047132 -0.015735 0.070387 -0.010155 -0.003433 4 C 1 X 0.023833 -0.007863 0.120259 0.026568 0.039299 5 C 1 Y 0.044426 0.024573 -0.075378 0.094490 0.088343 6 C 1 Z 0.002379 0.002530 -0.010488 0.001026 0.000760 7 C 1 X 0.001244 -0.002668 0.043935 0.001172 0.010196 8 C 1 Y 0.023443 0.011119 -0.049328 0.059495 0.059474 9 C 1 Z 0.000052 0.000067 -0.005458 0.003338 0.002100 10 C 1 XX -0.003152 0.000389 -0.009420 -0.001052 -0.001765 11 C 1 YY 0.000454 -0.001601 0.013164 0.001266 0.002685 12 C 1 ZZ 0.002698 0.001212 -0.003744 -0.000214 -0.000920 13 C 1 XY 0.007933 0.002762 -0.001367 0.014333 0.014360 14 C 1 XZ 0.000880 0.000239 0.000280 0.000449 0.000577 15 C 1 YZ -0.000606 -0.000253 0.001035 -0.001218 -0.000986 16 C 2 S 0.004244 0.000741 0.011657 0.003622 0.003099 17 C 2 S -0.065583 0.009748 -0.179369 -0.042293 -0.052280 18 C 2 S -0.028192 -0.008584 -0.129410 -0.049454 -0.021735 19 C 2 X -0.003485 -0.001091 -0.002631 0.017152 0.013209 20 C 2 Y 0.008307 0.010865 -0.051648 0.008131 0.003167 21 C 2 Z 0.004077 0.001401 0.000135 -0.001878 -0.000740 22 C 2 X -0.004210 -0.004160 -0.017492 0.002227 0.006705 23 C 2 Y 0.002182 -0.010547 -0.012556 -0.019567 -0.008350 24 C 2 Z 0.000545 0.000493 0.000485 -0.002751 -0.000587 25 C 2 XX -0.002201 -0.000709 -0.000653 0.001987 0.003105 26 C 2 YY 0.000078 0.001209 -0.006923 -0.002910 -0.004359 27 C 2 ZZ 0.002123 -0.000499 0.007576 0.000923 0.001254 28 C 2 XY 0.005759 0.001129 0.000429 0.005726 0.004378 29 C 2 XZ 0.000362 -0.000086 0.000445 0.000288 0.000253 30 C 2 YZ 0.000119 0.000249 -0.000718 -0.001135 -0.000780 31 C 3 S 0.000592 0.000852 0.006290 0.004784 0.001873 32 C 3 S -0.026939 -0.000577 -0.096145 -0.042157 -0.046266 33 C 3 S 0.014578 -0.057674 -0.131973 -0.064490 0.002749 34 C 3 X 0.059498 0.016402 -0.047006 0.023556 -0.018053 35 C 3 Y 0.026768 -0.018211 0.092911 0.003889 0.005664 36 C 3 Z 0.018458 0.005429 0.008022 -0.010958 -0.005305 37 C 3 X -0.018871 0.042825 0.039304 0.006280 -0.044068 38 C 3 Y 0.037087 -0.031488 0.009106 -0.025792 0.029091 39 C 3 Z -0.000890 0.001447 0.003481 0.003716 0.002554 40 C 3 XX 0.000645 0.001611 0.006602 0.001988 0.003159 41 C 3 YY -0.001516 -0.002189 -0.012654 -0.003898 -0.004114 42 C 3 ZZ 0.000870 0.000578 0.006052 0.001910 0.000955 43 C 3 XY 0.007517 0.005069 0.004192 0.002455 -0.002767 44 C 3 XZ 0.001918 0.000891 0.000573 -0.000324 -0.001106 45 C 3 YZ 0.001567 0.000688 -0.000499 -0.001172 -0.001212 46 C 4 S -0.010175 -0.001774 -0.002776 0.000718 0.002075 47 C 4 S 0.116896 0.022768 0.028223 0.000078 -0.025137 48 C 4 S 0.136259 0.027558 0.031746 -0.000683 -0.024544 49 C 4 X 0.019779 0.009060 0.026123 0.042487 0.062624 50 C 4 Y -0.030029 -0.013429 0.031133 -0.039559 -0.033661 51 C 4 Z 0.069668 0.029995 0.035848 -0.068965 -0.032029 52 C 4 X 0.016007 0.003293 0.011041 0.019741 0.034637 53 C 4 Y -0.025785 0.000227 0.019025 -0.020258 -0.030649 54 C 4 Z 0.045734 0.017138 0.022370 -0.052200 -0.037043 55 C 4 XX -0.001085 -0.000348 -0.001129 0.007372 0.006000 56 C 4 YY -0.006185 -0.002504 -0.005481 0.002628 0.002896 57 C 4 ZZ 0.007270 0.002852 0.006610 -0.010000 -0.008897 58 C 4 XY -0.003672 -0.002101 -0.007197 -0.009172 -0.008409 59 C 4 XZ -0.001225 -0.000007 -0.001011 -0.002869 -0.004982 60 C 4 YZ 0.008570 0.003373 0.000304 -0.001225 0.002192 61 S 5 S -0.000333 -0.000039 -0.000063 -0.000073 -0.000077 62 S 5 S -0.003925 -0.000630 -0.001167 -0.002657 -0.002606 63 S 5 S 0.104119 0.027878 0.066238 0.222499 0.232529 64 S 5 S 0.088244 0.024350 0.064710 0.190627 0.197675 65 S 5 X 0.002657 0.000652 -0.000258 0.003208 0.002875 66 S 5 Y -0.001391 -0.000259 0.000677 0.000869 0.001022 67 S 5 Z -0.001384 -0.000447 -0.000279 0.000046 -0.000325 68 S 5 X -0.024571 -0.007811 0.004555 -0.032298 -0.024909 69 S 5 Y 0.018980 0.003786 -0.009534 -0.008529 -0.015952 70 S 5 Z 0.017477 0.006522 0.005610 -0.002710 0.002080 71 S 5 X -0.008053 -0.002120 -0.002062 -0.005096 -0.000710 72 S 5 Y 0.006476 0.002473 -0.000686 -0.001922 -0.002177 73 S 5 Z 0.003722 0.002341 0.001265 -0.001303 0.000931 74 S 5 XX 0.005835 0.001787 -0.004898 0.004745 0.002658 75 S 5 YY -0.001455 -0.000883 0.006142 0.003807 0.005392 76 S 5 ZZ -0.004380 -0.000904 -0.001244 -0.008552 -0.008050 77 S 5 XY -0.008594 -0.001573 -0.000912 0.002582 0.005115 78 S 5 XZ -0.005240 -0.001798 -0.000874 -0.001880 -0.002142 79 S 5 YZ 0.003410 0.000999 0.001094 0.000390 0.000996 80 S 5 XX 0.000810 0.000333 -0.001074 0.000850 0.000448 81 S 5 YY -0.000224 -0.000202 0.001326 0.000755 0.001103 82 S 5 ZZ -0.000586 -0.000131 -0.000252 -0.001605 -0.001551 83 S 5 XY -0.001196 -0.000154 -0.000145 0.000563 0.001007 84 S 5 XZ -0.001064 -0.000351 -0.000219 -0.000157 -0.000298 85 S 5 YZ 0.000775 0.000250 0.000322 -0.000031 0.000136 86 H 6 S -0.035775 -0.000711 -0.067322 -0.033916 -0.034491 87 H 6 S -0.001996 -0.006287 -0.010877 -0.009344 -0.006112 88 H 6 X -0.003608 -0.000467 -0.005785 -0.002932 -0.002865 89 H 6 Y -0.003822 0.000203 -0.007779 -0.003608 -0.003871 90 H 6 Z -0.000167 0.000029 -0.000211 -0.000071 -0.000191 91 C 7 S 0.000514 -0.004355 -0.001408 -0.004075 0.002118 92 C 7 S 0.018391 0.065928 0.007457 0.041038 -0.042405 93 C 7 S -0.037393 0.116613 0.062374 0.075906 -0.022895 94 C 7 X -0.061911 0.036549 -0.017515 -0.027583 -0.017597 95 C 7 Y 0.019505 0.102268 -0.032194 -0.003096 -0.006390 96 C 7 Z 0.024256 0.002309 0.008278 -0.009163 0.009317 97 C 7 X 0.007169 -0.026882 -0.029792 -0.006593 -0.036773 98 C 7 Y 0.034784 0.014081 -0.029040 -0.010135 -0.024397 99 C 7 Z 0.000284 0.001992 0.008072 0.004045 0.004491 100 C 7 XX -0.003553 -0.009609 -0.001451 -0.003005 0.002391 101 C 7 YY 0.003946 0.015665 0.001736 0.004760 -0.003767 102 C 7 ZZ -0.000393 -0.006056 -0.000285 -0.001755 0.001375 103 C 7 XY 0.004528 0.000732 0.003454 0.001244 0.003617 104 C 7 XZ 0.002385 0.001052 0.000266 -0.000513 0.000982 105 C 7 YZ -0.001315 0.000304 -0.001379 0.000359 -0.001314 106 C 8 S -0.003050 0.002668 -0.000927 0.000851 -0.001541 107 C 8 S 0.041796 -0.046705 0.007219 -0.033244 0.049994 108 C 8 S 0.058939 -0.051584 0.013048 -0.004031 0.016529 109 C 8 X -0.004819 -0.107926 0.020769 -0.003936 0.016952 110 C 8 Y 0.060447 -0.029033 0.027395 0.123866 -0.129921 111 C 8 Z 0.011711 -0.004639 0.005837 0.012536 -0.015244 112 C 8 X 0.004681 -0.061778 0.005139 0.006930 -0.002927 113 C 8 Y 0.021227 -0.047228 0.013832 0.060318 -0.062893 114 C 8 Z 0.004195 -0.006770 0.003578 0.006709 -0.007175 115 C 8 XX 0.005105 0.013368 -0.001468 0.003736 -0.004411 116 C 8 YY -0.000657 -0.014968 0.002516 -0.002432 0.003580 117 C 8 ZZ -0.004447 0.001600 -0.001048 -0.001304 0.000831 118 C 8 XY 0.003995 -0.006741 0.003288 0.010505 -0.010713 119 C 8 XZ 0.001293 -0.000027 0.000391 0.001288 -0.001578 120 C 8 YZ 0.000039 -0.002881 0.000274 0.000410 0.000176 121 C 9 S 0.010123 0.003105 0.001339 -0.000682 0.002034 122 C 9 S -0.119588 -0.035324 -0.013481 -0.003716 -0.024306 123 C 9 S -0.118788 -0.021584 -0.021602 -0.001346 -0.012590 124 C 9 X -0.010440 -0.021976 -0.006330 -0.040028 0.061433 125 C 9 Y -0.037870 0.016574 -0.014610 -0.050697 0.046598 126 C 9 Z 0.063014 0.030981 0.027557 -0.062625 0.033790 127 C 9 X -0.008539 -0.002402 -0.001995 -0.027796 0.036101 128 C 9 Y -0.010372 0.016510 0.004382 -0.024145 0.043898 129 C 9 Z 0.054648 0.026772 0.015853 -0.048015 0.040926 130 C 9 XX 0.001303 0.001758 0.001494 -0.004381 0.004529 131 C 9 YY 0.005272 0.003342 0.000628 -0.005141 0.006010 132 C 9 ZZ -0.006575 -0.005100 -0.002123 0.009522 -0.010539 133 C 9 XY -0.004144 -0.006550 -0.002242 -0.009508 0.008829 134 C 9 XZ -0.000849 -0.001092 -0.000011 -0.001228 0.003449 135 C 9 YZ -0.007856 -0.000657 -0.003072 0.001076 0.002340 136 C 10 S -0.003255 0.005273 -0.004548 -0.001531 -0.004107 137 C 10 S 0.073588 -0.115640 0.033520 0.014812 0.060754 138 C 10 S 0.067221 -0.076287 0.046064 0.019293 0.021178 139 C 10 X -0.027824 0.037831 0.050983 0.036766 -0.035479 140 C 10 Y 0.045131 0.014780 -0.045228 0.013018 -0.030473 141 C 10 Z 0.008508 -0.003458 -0.001467 -0.011923 0.007705 142 C 10 X 0.044462 -0.052791 -0.065803 -0.040891 -0.020014 143 C 10 Y 0.032593 -0.039564 -0.052995 -0.011090 -0.028630 144 C 10 Z -0.003361 0.009990 0.005139 0.000728 0.005127 145 C 10 XX 0.007485 -0.009815 -0.007895 -0.002961 -0.000112 146 C 10 YY -0.002790 0.003289 0.009034 0.002886 0.003857 147 C 10 ZZ -0.004695 0.006526 -0.001138 0.000076 -0.003745 148 C 10 XY 0.000233 0.007002 0.004791 0.005881 -0.002273 149 C 10 XZ -0.000481 0.002405 0.000296 -0.000510 -0.000697 150 C 10 YZ 0.000068 -0.000549 -0.000414 -0.000925 0.000841 151 C 11 S 0.004052 0.003543 -0.004478 0.001318 -0.002894 152 C 11 S -0.081042 -0.020069 0.097593 -0.009912 0.062617 153 C 11 S -0.071863 -0.027820 0.074573 -0.017094 -0.005092 154 C 11 X 0.019004 -0.042332 -0.048558 -0.037540 -0.041818 155 C 11 Y 0.046383 -0.057681 0.019621 0.009983 0.024852 156 C 11 Z 0.006873 -0.002422 0.001656 -0.008915 0.001896 157 C 11 X -0.046421 0.080067 0.060873 0.043060 -0.038059 158 C 11 Y 0.022963 -0.049958 -0.026495 0.000612 0.023376 159 C 11 Z 0.002547 0.000791 0.000506 -0.003709 -0.006303 160 C 11 XX -0.007050 0.009002 0.005292 0.001191 -0.001345 161 C 11 YY 0.002134 -0.009325 0.000655 -0.001054 0.004548 162 C 11 ZZ 0.004915 0.000324 -0.005947 -0.000137 -0.003203 163 C 11 XY -0.001390 0.006889 0.008944 0.006642 0.002027 164 C 11 XZ -0.000206 0.001427 0.001461 0.000130 -0.000442 165 C 11 YZ 0.000391 -0.000995 -0.000179 -0.000165 0.000661 166 C 12 S 0.000759 0.000843 -0.001666 -0.000382 -0.000995 167 C 12 S 0.112516 -0.110385 -0.142242 -0.069864 0.005118 168 C 12 S 0.087534 -0.104167 -0.119685 -0.069639 0.012509 169 C 12 X 0.031033 -0.054435 0.035930 0.014733 0.065389 170 C 12 Y -0.010258 -0.005475 0.025238 0.006631 0.016965 171 C 12 Z -0.010613 0.003090 0.020947 0.005247 0.012886 172 C 12 X 0.023116 -0.036383 -0.017513 -0.014056 0.021273 173 C 12 Y -0.034668 0.032560 0.047384 0.023201 0.008241 174 C 12 Z -0.005397 0.006549 0.012922 0.003780 -0.002829 175 C 12 XX 0.004150 -0.004057 0.001246 0.001231 0.002610 176 C 12 YY -0.002635 0.004239 -0.001239 -0.000230 -0.002680 177 C 12 ZZ -0.001514 -0.000182 -0.000007 -0.001002 0.000070 178 C 12 XY 0.000085 0.005964 -0.003832 0.000838 -0.006095 179 C 12 XZ -0.000205 0.001302 -0.001725 -0.000741 -0.002299 180 C 12 YZ 0.000267 0.001596 -0.001293 0.000171 -0.001916 181 C 13 S 0.000231 0.002172 -0.001883 0.000362 -0.002909 182 C 13 S 0.002962 0.092040 -0.083633 -0.000781 -0.112733 183 C 13 S -0.001026 0.044851 -0.045764 -0.006663 -0.059119 184 C 13 X -0.003518 0.011456 0.003012 0.004348 0.017149 185 C 13 Y 0.060626 -0.087510 -0.087321 -0.058547 -0.002589 186 C 13 Z 0.005501 0.001702 -0.014355 -0.005687 0.000094 187 C 13 X -0.000333 0.022566 -0.018226 -0.001321 -0.027889 188 C 13 Y 0.012868 -0.019358 -0.020486 -0.015400 -0.004505 189 C 13 Z -0.000339 0.004777 -0.010725 -0.001078 -0.005996 190 C 13 XX -0.000821 -0.000413 0.002179 0.000570 0.001148 191 C 13 YY 0.000558 0.001161 -0.001732 -0.000196 0.000563 192 C 13 ZZ 0.000262 -0.000749 -0.000448 -0.000375 -0.001711 193 C 13 XY 0.007473 -0.009212 -0.008301 -0.004545 -0.000346 194 C 13 XZ 0.000307 -0.000484 -0.000028 -0.000287 0.001356 195 C 13 YZ 0.002774 -0.003854 -0.004054 -0.002603 0.000245 196 C 14 S -0.000423 0.001519 -0.001370 -0.000198 -0.000992 197 C 14 S -0.110527 0.151724 0.108304 0.066861 0.012615 198 C 14 S -0.085669 0.126633 0.110627 0.075559 0.013649 199 C 14 X -0.032044 -0.033546 0.045535 -0.013701 0.064126 200 C 14 Y -0.015565 0.029000 0.005082 0.006193 -0.009495 201 C 14 Z 0.005139 -0.015994 -0.000582 -0.007211 0.011022 202 C 14 X -0.021242 0.011241 0.028636 0.010155 0.024164 203 C 14 Y -0.035005 0.054649 0.042970 0.028179 -0.001804 204 C 14 Z 0.000220 -0.001418 0.003444 -0.001473 0.002941 205 C 14 XX -0.004284 0.000416 0.001863 -0.001202 0.001284 206 C 14 YY 0.002466 0.000465 -0.002313 0.000359 -0.001727 207 C 14 ZZ 0.001818 -0.000881 0.000450 0.000843 0.000443 208 C 14 XY -0.001487 -0.004628 0.006482 0.000348 0.007212 209 C 14 XZ -0.000268 0.001281 -0.000223 0.000108 -0.001035 210 C 14 YZ 0.000195 -0.000881 0.000619 -0.000125 0.001212 211 F 15 S -0.000131 0.000248 0.000413 0.000097 -0.000230 212 F 15 S -0.036996 0.035846 0.047200 0.024078 -0.001747 213 F 15 S -0.054472 0.053135 0.068839 0.037491 -0.000348 214 F 15 X 0.021353 -0.031113 -0.005298 -0.005514 0.026083 215 F 15 Y -0.007550 0.003275 0.015884 0.007084 0.006000 216 F 15 Z -0.048287 0.051716 0.078761 0.044365 0.003564 217 F 15 X 0.010560 -0.014871 -0.002945 -0.002368 0.013225 218 F 15 Y -0.000584 -0.000456 0.004174 0.001974 0.002563 219 F 15 Z -0.028294 0.030399 0.046776 0.026179 0.001773 220 F 15 XX -0.000896 0.000739 0.001998 0.001020 0.000573 221 F 15 YY -0.001475 0.001619 0.002055 0.001141 -0.000111 222 F 15 ZZ 0.002371 -0.002358 -0.004053 -0.002161 -0.000461 223 F 15 XY -0.000144 0.000221 0.000103 0.000085 -0.000127 224 F 15 XZ -0.001626 0.002081 0.001025 0.000641 -0.001225 225 F 15 YZ 0.000510 -0.000275 -0.001057 -0.000476 -0.000339 226 F 16 S -0.001140 0.000823 0.001357 0.000696 0.000365 227 F 16 S -0.043390 0.039383 0.054521 0.025506 0.002125 228 F 16 S -0.052277 0.051673 0.069342 0.032808 -0.001225 229 F 16 X 0.026039 -0.027015 -0.010854 -0.002661 0.021057 230 F 16 Y -0.051690 0.057154 0.085951 0.046593 0.009918 231 F 16 Z 0.019902 -0.024290 -0.030111 -0.018439 0.002687 232 F 16 X 0.013606 -0.013632 -0.005018 -0.001055 0.011637 233 F 16 Y -0.029912 0.032130 0.049836 0.027057 0.006727 234 F 16 Z 0.015043 -0.017128 -0.022293 -0.012658 0.001118 235 F 16 XX -0.000988 0.001090 0.002184 0.001188 0.000587 236 F 16 YY 0.001894 -0.001830 -0.003468 -0.001749 -0.000790 237 F 16 ZZ -0.000906 0.000740 0.001284 0.000561 0.000203 238 F 16 XY -0.001686 0.002057 0.001219 0.000635 -0.000950 239 F 16 XZ 0.000857 -0.001039 -0.000533 -0.000303 0.000573 240 F 16 YZ -0.001899 0.002082 0.002923 0.001591 0.000107 241 F 17 S 0.000880 -0.001335 -0.000975 -0.000614 0.000021 242 F 17 S 0.042222 -0.056230 -0.038834 -0.025191 -0.001772 243 F 17 S 0.053320 -0.071283 -0.049098 -0.033265 -0.003383 244 F 17 X -0.017434 -0.001911 0.015401 -0.003698 0.021896 245 F 17 Y -0.047652 0.078092 0.053664 0.041197 -0.001139 246 F 17 Z -0.031356 0.047591 0.036188 0.025642 0.004861 247 F 17 X -0.008185 -0.002494 0.007008 -0.002520 0.011795 248 F 17 Y -0.026254 0.043811 0.029811 0.023062 -0.000775 249 F 17 Z -0.021382 0.032469 0.023842 0.017060 0.002317 250 F 17 XX 0.001339 -0.002361 -0.001559 -0.001223 0.000092 251 F 17 YY -0.001289 0.002335 0.001339 0.001134 -0.000277 252 F 17 ZZ -0.000050 0.000025 0.000220 0.000089 0.000185 253 F 17 XY -0.000892 0.000135 0.001045 0.000077 0.000984 254 F 17 XZ -0.000757 0.000108 0.000822 0.000035 0.000804 255 F 17 YZ -0.002536 0.003926 0.002746 0.001981 0.000109 256 F 18 S 0.000269 -0.000322 -0.000093 -0.000230 -0.000080 257 F 18 S 0.037100 -0.051582 -0.035446 -0.022097 -0.003142 258 F 18 S 0.052567 -0.075606 -0.054383 -0.032872 -0.004628 259 F 18 X -0.022601 0.009677 0.028792 0.003916 0.025032 260 F 18 Y -0.021006 0.037449 0.021607 0.016571 -0.001855 261 F 18 Z 0.042977 -0.074213 -0.048649 -0.038446 0.000153 262 F 18 X -0.011591 0.005910 0.014039 0.002306 0.012555 263 F 18 Y -0.008846 0.016513 0.008758 0.007413 -0.000774 264 F 18 Z 0.026409 -0.045255 -0.029319 -0.023265 -0.000126 265 F 18 XX 0.000801 -0.001981 -0.000790 -0.000950 0.000486 266 F 18 YY 0.000941 -0.001274 -0.001081 -0.000685 -0.000227 267 F 18 ZZ -0.001742 0.003255 0.001871 0.001635 -0.000259 268 F 18 XY -0.000643 0.000516 0.000793 0.000240 0.000485 269 F 18 XZ 0.001593 -0.001232 -0.001860 -0.000589 -0.001131 270 F 18 YZ 0.001567 -0.002750 -0.001530 -0.001228 0.000154 271 C 19 S -0.005067 0.009468 -0.003547 -0.008253 0.007829 272 C 19 S 0.096618 -0.171710 0.061016 0.151498 -0.144905 273 C 19 S 0.046339 -0.071690 0.034275 0.078885 -0.075836 274 C 19 X -0.012566 -0.001165 -0.001669 -0.006219 0.005115 275 C 19 Y -0.011168 0.017593 -0.003560 0.009010 -0.015696 276 C 19 Z -0.001508 0.002406 -0.000327 0.000477 -0.001543 277 C 19 X 0.000434 -0.006292 0.001145 0.006134 -0.006610 278 C 19 Y 0.005019 -0.013897 0.002065 0.011590 -0.012812 279 C 19 Z 0.001825 -0.001037 -0.000035 0.000717 -0.001639 280 C 19 XX 0.001012 0.001545 -0.000097 0.001647 -0.001854 281 C 19 YY 0.000453 -0.003802 0.000665 -0.001454 0.002207 282 C 19 ZZ -0.001465 0.002257 -0.000568 -0.000192 -0.000353 283 C 19 XY 0.002991 -0.000845 0.000549 0.000881 -0.000360 284 C 19 XZ 0.000387 -0.000261 0.000091 0.000274 -0.000113 285 C 19 YZ 0.000385 -0.000847 0.000178 -0.000184 0.000426 286 H 20 S 0.039176 -0.084628 0.028659 0.068508 -0.065596 287 H 20 S 0.003926 -0.010283 0.003092 0.008319 -0.008642 288 H 20 X -0.005686 0.011469 -0.003957 -0.009429 0.009020 289 H 20 Y 0.000653 -0.002618 0.000776 0.001756 -0.001767 290 H 20 Z -0.000244 0.000186 -0.000068 -0.000181 0.000189 291 H 21 S 0.042997 -0.075632 0.028049 0.077378 -0.076944 292 H 21 S 0.003248 -0.005269 0.002563 0.008049 -0.009005 293 H 21 X 0.000827 -0.002148 0.000696 0.001757 -0.001747 294 H 21 Y -0.004151 0.007358 -0.002589 -0.006322 0.006061 295 H 21 Z 0.004618 -0.007820 0.002953 0.008210 -0.008135 296 C 22 S 0.004443 0.002959 -0.011275 0.007409 0.006206 297 C 22 S -0.077221 -0.048171 0.207754 -0.129868 -0.111643 298 C 22 S -0.035526 -0.027373 0.100381 -0.062142 -0.051484 299 C 22 X 0.010669 0.002709 0.001359 0.008540 0.007992 300 C 22 Y -0.009980 -0.004060 0.018495 0.006126 0.010945 301 C 22 Z -0.000918 -0.000242 0.000699 -0.000541 -0.000184 302 C 22 X -0.001594 -0.000520 0.008692 -0.006592 -0.008060 303 C 22 Y 0.002853 0.001100 -0.010807 0.009781 0.010254 304 C 22 Z 0.001107 0.000435 -0.000324 0.000300 0.000610 305 C 22 XX -0.000773 -0.000019 -0.002291 -0.002058 -0.002274 306 C 22 YY -0.000749 -0.000659 0.004316 0.001119 0.001728 307 C 22 ZZ 0.001521 0.000678 -0.002025 0.000939 0.000546 308 C 22 XY 0.002408 0.000682 -0.000884 0.001360 0.000893 309 C 22 XZ 0.000368 0.000100 -0.000077 0.000278 0.000220 310 C 22 YZ -0.000218 -0.000064 0.000374 -0.000135 -0.000022 311 H 23 S -0.036059 -0.022222 0.090209 -0.069735 -0.063379 312 H 23 S -0.003828 -0.002153 0.010660 -0.009991 -0.009646 313 H 23 X -0.003505 -0.002063 0.008261 -0.006663 -0.006065 314 H 23 Y -0.003864 -0.002344 0.009922 -0.006601 -0.005661 315 H 23 Z -0.000163 -0.000085 0.000232 -0.000142 -0.000123 316 H 24 S -0.031770 -0.021668 0.097634 -0.060412 -0.052424 317 H 24 S -0.001728 -0.001763 0.008478 -0.006009 -0.005103 318 H 24 X 0.003126 0.001934 -0.008227 0.005626 0.004989 319 H 24 Y -0.000820 -0.000483 0.002120 -0.000971 -0.000739 320 H 24 Z 0.003406 0.002376 -0.010899 0.006417 0.005453 321 H 25 S -0.031568 -0.021697 0.098310 -0.059820 -0.051842 322 H 25 S -0.001944 -0.001890 0.009025 -0.005950 -0.005244 323 H 25 X 0.002816 0.001754 -0.007459 0.005096 0.004556 324 H 25 Y -0.000481 -0.000228 0.000871 -0.000242 -0.000144 325 H 25 Z -0.003709 -0.002572 0.011648 -0.006796 -0.005805 326 C 26 S 0.008257 0.004111 0.002393 -0.006459 0.006891 327 C 26 S -0.158044 -0.078415 -0.047979 0.129370 -0.109339 328 C 26 S -0.060890 -0.032357 -0.021625 0.059366 -0.056311 329 C 26 X -0.001233 -0.002782 -0.000942 -0.004797 0.011838 330 C 26 Y -0.011956 0.001152 -0.002971 -0.008178 0.002470 331 C 26 Z -0.031401 -0.010636 -0.004624 0.002949 -0.003516 332 C 26 X 0.003044 -0.001448 0.001893 0.001342 -0.003623 333 C 26 Y 0.002998 -0.002061 -0.003514 0.004034 0.001120 334 C 26 Z 0.009387 0.003269 0.005820 -0.011867 0.005948 335 C 26 XX 0.003049 0.000759 0.000509 -0.000234 0.000821 336 C 26 YY 0.002300 0.001413 -0.000073 -0.000438 0.000792 337 C 26 ZZ -0.005350 -0.002172 -0.000436 0.000671 -0.001613 338 C 26 XY -0.000190 0.000285 -0.000024 0.000288 -0.000360 339 C 26 XZ -0.000236 -0.000447 -0.000031 -0.000183 0.000962 340 C 26 YZ -0.002980 -0.000575 -0.000973 -0.000262 0.000153 341 H 27 S -0.064251 -0.035981 -0.020848 0.067124 -0.058352 342 H 27 S -0.001580 -0.005364 -0.001675 0.009678 -0.009102 343 H 27 X -0.006615 -0.004056 -0.002042 0.006740 -0.005476 344 H 27 Y -0.006210 -0.003216 -0.001676 0.005293 -0.005367 345 H 27 Z -0.002724 -0.001215 -0.000973 0.001871 -0.001101 346 H 28 S -0.069675 -0.031338 -0.022517 0.056617 -0.052464 347 H 28 S -0.006282 -0.004309 0.001701 0.004292 -0.008453 348 H 28 X -0.001933 -0.000945 -0.000707 0.001093 -0.000869 349 H 28 Y 0.008821 0.004392 0.002661 -0.007132 0.006549 350 H 28 Z -0.004970 -0.002483 -0.001302 0.004048 -0.003794 351 H 29 S -0.064972 -0.036313 -0.021595 0.063168 -0.045210 352 H 29 S -0.005920 -0.003495 -0.002711 0.007939 -0.001264 353 H 29 X 0.008192 0.004496 0.002610 -0.007830 0.006271 354 H 29 Y -0.004196 -0.001767 -0.001095 0.002507 -0.002501 355 H 29 Z -0.003382 -0.001492 -0.001105 0.003159 -0.001920 356 C 30 S -0.009099 -0.003056 -0.005181 0.006714 0.006565 357 C 30 S 0.168655 0.057357 0.090303 -0.134216 -0.095977 358 C 30 S 0.072386 0.026889 0.043325 -0.061563 -0.051003 359 C 30 X 0.000874 0.001000 0.001922 0.007782 0.012760 360 C 30 Y -0.012309 -0.004024 0.002933 -0.007113 -0.001521 361 C 30 Z -0.032914 -0.007091 -0.009783 0.003025 0.002290 362 C 30 X -0.005573 0.000188 0.000268 -0.001562 -0.002864 363 C 30 Y 0.005760 -0.001915 -0.002379 0.003726 -0.003183 364 C 30 Z 0.006325 0.003753 0.001833 -0.012659 -0.002928 365 C 30 XX -0.003197 -0.000708 -0.000997 0.000131 0.000452 366 C 30 YY -0.002584 -0.000373 -0.001245 0.000518 0.001017 367 C 30 ZZ 0.005782 0.001081 0.002242 -0.000649 -0.001469 368 C 30 XY -0.000093 0.000199 0.000123 0.000187 -0.000060 369 C 30 XZ 0.000148 0.000112 -0.000446 -0.000824 -0.001548 370 C 30 YZ 0.002677 0.001024 0.000256 0.000123 0.000330 371 H 31 S 0.074737 0.026965 0.037330 -0.058395 -0.045185 372 H 31 S 0.008920 0.000106 0.005193 -0.003710 -0.007460 373 H 31 X -0.000266 -0.000069 -0.000103 0.000952 0.000964 374 H 31 Y 0.009429 0.003321 0.005025 -0.007401 -0.005679 375 H 31 Z -0.005534 -0.001717 -0.003063 0.004157 0.003135 376 H 32 S 0.068391 0.023947 0.042233 -0.069741 -0.052420 377 H 32 S 0.000045 0.003549 0.006257 -0.008709 -0.009121 378 H 32 X 0.008078 0.002883 0.005215 -0.007887 -0.005974 379 H 32 Y -0.005112 -0.001679 -0.002660 0.004008 0.003855 380 H 32 Z -0.003589 -0.001392 -0.001913 0.002561 0.001369 381 H 33 S 0.070054 0.024910 0.043495 -0.064577 -0.039336 382 H 33 S 0.007653 0.002366 0.005478 -0.008183 -0.001757 383 H 33 X -0.007892 -0.002732 -0.004992 0.007625 0.005109 384 H 33 Y -0.006329 -0.001915 -0.003167 0.004276 0.003058 385 H 33 Z -0.003018 -0.000977 -0.001203 0.002256 0.001166 386 H 34 S 0.042689 -0.075356 0.028091 0.077320 -0.076908 387 H 34 S 0.001697 -0.005969 0.002729 0.008936 -0.008904 388 H 34 X 0.001255 -0.002934 0.001025 0.002604 -0.002579 389 H 34 Y -0.002889 0.005563 -0.001857 -0.004459 0.004162 390 H 34 Z -0.005272 0.009025 -0.003373 -0.009254 0.009107 391 F 35 S -0.000073 -0.001003 0.000857 0.000029 0.001493 392 F 35 S -0.001028 -0.035683 0.032742 0.000794 0.047959 393 F 35 S -0.000690 -0.043648 0.041320 0.000973 0.059489 394 F 35 X 0.000180 0.057037 -0.050229 0.000155 -0.086903 395 F 35 Y 0.015896 -0.022495 -0.033325 -0.022769 -0.009765 396 F 35 Z 0.001086 -0.014943 0.010128 -0.001559 0.027693 397 F 35 X 0.000242 0.033954 -0.029766 0.000210 -0.052380 398 F 35 Y 0.009128 -0.012405 -0.019321 -0.012989 -0.005837 399 F 35 Z 0.000711 -0.011418 0.008526 -0.000970 0.020016 400 F 35 XX -0.000070 0.002813 -0.002213 0.000083 -0.003740 401 F 35 YY 0.000156 -0.001714 0.001053 -0.000170 0.002186 402 F 35 ZZ -0.000086 -0.001099 0.001160 0.000087 0.001554 403 F 35 XY 0.001087 -0.001209 -0.002099 -0.001217 -0.000753 404 F 35 XZ 0.000098 -0.001585 0.001170 -0.000104 0.002480 405 F 35 YZ -0.000378 0.000427 0.000677 0.000385 0.000259 406 F 36 S -0.000003 -0.000232 0.000371 -0.000076 0.000514 407 F 36 S -0.001119 -0.029365 0.027768 0.000007 0.037890 408 F 36 S -0.001821 -0.042864 0.039209 0.001128 0.055802 409 F 36 X -0.001047 0.003364 0.001393 0.002415 0.007567 410 F 36 Y 0.020237 -0.036352 -0.028566 -0.023772 0.006024 411 F 36 Z 0.003416 0.046840 -0.050552 -0.002815 -0.077130 412 F 36 X -0.000411 -0.001246 0.003323 0.001255 0.008184 413 F 36 Y 0.009201 -0.018068 -0.013315 -0.012056 0.003982 414 F 36 Z 0.001944 0.028180 -0.030009 -0.001232 -0.046784 415 F 36 XX -0.000069 -0.001418 0.001380 0.000042 0.002093 416 F 36 YY -0.000206 -0.000994 0.001441 0.000196 0.001829 417 F 36 ZZ 0.000275 0.002412 -0.002821 -0.000238 -0.003922 418 F 36 XY 0.000124 -0.000176 -0.000135 -0.000086 -0.000025 419 F 36 XZ -0.000056 0.000186 0.000071 0.000109 0.000382 420 F 36 YZ 0.001139 -0.002157 -0.001403 -0.001248 0.000547 421 C 37 S 0.006838 0.005387 0.001188 0.009063 -0.010301 422 C 37 S -0.073890 -0.062018 -0.015687 -0.152529 0.169480 423 C 37 S -0.062662 -0.068610 -0.010538 -0.081142 0.087156 424 C 37 X 0.026513 -0.018165 0.010150 0.020941 -0.008297 425 C 37 Y 0.030454 -0.011465 0.001811 -0.024761 0.038416 426 C 37 Z 0.018953 0.004274 0.006165 -0.008291 0.004952 427 C 37 X 0.016426 0.025569 0.001020 -0.001158 0.004262 428 C 37 Y 0.002497 0.004112 0.005239 -0.008184 0.013751 429 C 37 Z -0.001047 0.000276 0.000527 -0.000847 0.000420 430 C 37 XX -0.003303 0.003956 -0.000995 -0.001326 -0.000662 431 C 37 YY -0.001095 -0.005105 0.000389 -0.003821 0.005587 432 C 37 ZZ 0.004398 0.001149 0.000606 0.005147 -0.004924 433 C 37 XY -0.005707 -0.004038 0.000370 0.003025 -0.005013 434 C 37 XZ -0.002668 -0.001003 -0.000548 0.000475 -0.000428 435 C 37 YZ -0.002043 -0.001179 -0.000336 -0.000865 0.001381 436 S 38 S 0.000154 0.000220 -0.000054 0.000105 -0.000222 437 S 38 S 0.000130 -0.001325 -0.000032 0.000383 -0.001113 438 S 38 S 0.081064 0.262587 -0.039027 0.046739 -0.063242 439 S 38 S 0.059532 0.219348 -0.030903 0.041975 -0.045270 440 S 38 X -0.000944 -0.001459 0.000485 0.000559 -0.000274 441 S 38 Y 0.000598 0.004511 -0.000645 0.000157 -0.000657 442 S 38 Z -0.000219 0.000047 -0.000036 0.000051 0.000018 443 S 38 X 0.007015 0.010611 -0.002596 -0.010091 0.007859 444 S 38 Y -0.002241 -0.051963 0.009665 -0.000756 0.003029 445 S 38 Z 0.004909 -0.000764 0.002179 -0.001114 0.001005 446 S 38 X 0.004006 0.001673 -0.003582 -0.006843 0.007638 447 S 38 Y 0.002480 -0.013265 0.000491 -0.002353 -0.000958 448 S 38 Z 0.001922 -0.000126 -0.000588 -0.002388 0.000421 449 S 38 XX 0.003924 -0.003247 0.000281 -0.003315 0.004396 450 S 38 YY -0.000132 0.015043 -0.002537 0.003455 -0.005013 451 S 38 ZZ -0.003792 -0.011795 0.002256 -0.000140 0.000618 452 S 38 XY 0.004347 -0.001482 0.001192 0.006225 -0.005117 453 S 38 XZ 0.000630 0.000012 0.000179 0.000269 -0.000325 454 S 38 YZ -0.001230 0.000554 -0.000426 0.001278 -0.000726 455 S 38 XX 0.000661 -0.000447 0.000042 -0.000505 0.000665 456 S 38 YY 0.000035 0.002664 -0.000357 0.000698 -0.000947 457 S 38 ZZ -0.000696 -0.002217 0.000315 -0.000193 0.000282 458 S 38 XY 0.000846 -0.000149 0.000249 0.001174 -0.000925 459 S 38 XZ 0.000168 0.000062 0.000051 0.000070 -0.000091 460 S 38 YZ -0.000207 0.000084 -0.000095 0.000148 -0.000149 461 H 39 S -0.026128 -0.042620 -0.001738 -0.061741 0.079084 462 H 39 S -0.005918 -0.012442 0.000729 -0.005206 0.008643 463 H 39 X 0.003828 0.005550 0.000348 0.008460 -0.010431 464 H 39 Y -0.000090 -0.001308 -0.000497 -0.002242 0.002732 465 H 39 Z 0.000665 0.000103 0.000183 -0.000518 0.000418 51 52 53 54 55 -0.9236 -0.9113 -0.8755 -0.8438 -0.8362 A A A A A 1 C 1 S 0.001968 -0.001003 -0.001346 -0.002625 -0.000384 2 C 1 S -0.061423 0.033970 0.030165 0.067000 0.015253 3 C 1 S -0.036776 0.018278 0.030153 0.049522 0.022773 4 C 1 X 0.114461 -0.054840 0.008308 -0.030104 0.053995 5 C 1 Y -0.025960 0.010608 0.025144 0.012143 0.028353 6 C 1 Z -0.009541 0.005303 0.000884 0.001972 -0.002333 7 C 1 X 0.049356 -0.031029 -0.003290 -0.017465 0.018596 8 C 1 Y -0.021480 0.015073 0.015037 0.022233 0.018676 9 C 1 Z -0.005394 0.001909 0.001002 0.003773 -0.001270 10 C 1 XX -0.010731 0.005430 0.001163 0.004949 -0.001614 11 C 1 YY 0.009598 -0.005006 -0.000046 -0.002857 0.002072 12 C 1 ZZ 0.001133 -0.000425 -0.001118 -0.002092 -0.000458 13 C 1 XY 0.000225 0.000226 0.004061 0.004871 0.005658 14 C 1 XZ 0.000905 -0.000343 -0.000010 -0.000299 0.000421 15 C 1 YZ 0.000144 -0.000054 -0.000150 -0.000309 -0.000222 16 C 2 S 0.007639 -0.003391 0.000212 -0.002495 0.002541 17 C 2 S -0.143011 0.071918 -0.008155 0.030615 -0.030357 18 C 2 S -0.071877 0.032432 -0.010551 0.040843 -0.056993 19 C 2 X -0.056159 0.023664 0.016004 0.035138 -0.021316 20 C 2 Y 0.035720 -0.027714 -0.012058 -0.066660 0.010093 21 C 2 Z 0.005324 -0.001869 -0.001120 -0.006975 0.001498 22 C 2 X -0.008753 0.001136 0.000135 0.016734 -0.012910 23 C 2 Y 0.015178 -0.014871 0.002244 -0.005848 -0.022406 24 C 2 Z 0.001319 0.000119 -0.000067 -0.001100 0.001350 25 C 2 XX -0.008298 0.005523 0.003137 0.008416 0.000831 26 C 2 YY 0.004154 -0.004180 -0.003817 -0.008166 -0.002172 27 C 2 ZZ 0.004144 -0.001343 0.000681 -0.000250 0.001341 28 C 2 XY -0.001135 -0.000355 -0.000724 0.000118 -0.002319 29 C 2 XZ 0.000758 -0.000490 -0.000303 -0.000407 -0.000042 30 C 2 YZ -0.000305 0.000392 -0.000218 -0.000402 -0.000209 31 C 3 S -0.005485 0.002315 -0.000869 0.002447 0.000704 32 C 3 S 0.092731 -0.081369 -0.019574 -0.102589 0.021248 33 C 3 S 0.120446 -0.029674 0.008472 -0.003272 -0.005043 34 C 3 X -0.060031 0.000191 -0.043104 -0.062236 -0.099933 35 C 3 Y 0.084402 -0.065722 0.009112 -0.014550 -0.000608 36 C 3 Z -0.000645 0.005070 0.000872 -0.008937 -0.002533 37 C 3 X -0.042524 0.013009 -0.025874 -0.072346 0.021757 38 C 3 Y 0.062896 -0.021224 0.014829 0.036546 -0.042557 39 C 3 Z -0.002938 -0.001342 -0.005679 -0.004916 -0.003078 40 C 3 XX 0.010623 -0.004067 -0.000432 0.000386 0.002694 41 C 3 YY -0.007215 0.000227 -0.001067 -0.003173 -0.003967 42 C 3 ZZ -0.003408 0.003840 0.001500 0.002787 0.001273 43 C 3 XY 0.000103 -0.002526 -0.008923 -0.005050 -0.006798 44 C 3 XZ 0.000974 -0.000685 0.000568 -0.001363 -0.000006 45 C 3 YZ -0.000774 0.000709 -0.000626 -0.000844 -0.000618 46 C 4 S -0.000916 0.001408 0.003185 0.002386 0.003894 47 C 4 S 0.035464 -0.058920 -0.084342 -0.046507 -0.106808 48 C 4 S 0.005305 -0.043118 -0.076954 -0.050822 -0.108113 49 C 4 X -0.011855 0.040493 0.016718 0.045040 0.018593 50 C 4 Y -0.041317 0.000098 -0.040679 0.082183 -0.024272 51 C 4 Z -0.033057 0.081488 0.058310 0.004522 0.043550 52 C 4 X -0.001540 0.019273 0.007295 0.026903 0.001615 53 C 4 Y -0.040311 0.027070 -0.016334 0.034310 0.015358 54 C 4 Z -0.017896 0.065921 0.037011 0.006949 0.038007 55 C 4 XX 0.009226 -0.007891 0.000956 -0.007036 0.002637 56 C 4 YY -0.002783 -0.006848 -0.007797 0.002652 -0.006066 57 C 4 ZZ -0.006442 0.014739 0.006842 0.004384 0.003429 58 C 4 XY 0.000929 -0.001798 -0.000851 -0.007562 -0.003613 59 C 4 XZ -0.000341 -0.000955 -0.000640 -0.000926 -0.000455 60 C 4 YZ 0.001370 0.003715 0.006216 -0.004645 0.003894 61 S 5 S 0.000023 -0.000244 -0.000308 -0.000058 -0.000437 62 S 5 S -0.000349 -0.001515 -0.002369 -0.000408 -0.003111 63 S 5 S 0.083954 -0.036574 0.049159 0.021106 0.091893 64 S 5 S 0.075915 -0.022034 0.056933 0.021230 0.111844 65 S 5 X 0.000315 -0.000450 0.000022 -0.000350 -0.000680 66 S 5 Y -0.000276 0.000465 0.001398 0.001153 0.002152 67 S 5 Z 0.000136 -0.000438 -0.000167 0.000058 -0.000011 68 S 5 X -0.002390 0.005273 0.006803 0.009349 0.018181 69 S 5 Y 0.009592 -0.005796 -0.029666 -0.023513 -0.043329 70 S 5 Z -0.002051 0.005131 0.001920 -0.002589 -0.000555 71 S 5 X 0.000219 -0.003321 0.001599 0.004004 0.004720 72 S 5 Y 0.006634 -0.006648 -0.009723 -0.011715 -0.010420 73 S 5 Z -0.002217 0.001610 -0.000752 -0.001958 0.001133 74 S 5 XX 0.000496 -0.001495 -0.002761 -0.004610 -0.005571 75 S 5 YY 0.001327 -0.001184 0.002265 0.005160 0.005051 76 S 5 ZZ -0.001823 0.002679 0.000496 -0.000550 0.000519 77 S 5 XY -0.006666 0.004490 0.009973 0.008778 0.012361 78 S 5 XZ -0.000516 -0.000408 0.000483 0.002200 0.001267 79 S 5 YZ 0.000543 -0.000194 -0.000925 -0.000939 -0.001409 80 S 5 XX -0.000019 -0.000396 -0.000503 -0.000904 -0.000979 81 S 5 YY 0.000377 -0.000190 0.000367 0.000962 0.000883 82 S 5 ZZ -0.000358 0.000586 0.000136 -0.000058 0.000096 83 S 5 XY -0.001097 0.000739 0.001735 0.001537 0.002349 84 S 5 XZ -0.000084 -0.000164 -0.000032 0.000291 0.000188 85 S 5 YZ 0.000059 0.000109 -0.000046 -0.000089 -0.000136 86 H 6 S -0.067541 0.041149 -0.006268 0.035885 -0.012980 87 H 6 S -0.004286 0.000105 0.004786 0.014203 -0.012245 88 H 6 X -0.007246 0.004061 0.001003 0.003741 -0.001382 89 H 6 Y -0.005558 0.003355 -0.000734 0.001711 -0.000810 90 H 6 Z -0.000168 0.000046 -0.000219 -0.000284 -0.000116 91 C 7 S 0.006428 0.001844 -0.001537 -0.000829 -0.001481 92 C 7 S -0.112240 -0.070581 -0.028254 0.032660 0.097052 93 C 7 S -0.162635 -0.034185 0.026907 -0.006891 0.024031 94 C 7 X 0.044497 -0.013852 -0.057623 0.110743 -0.038997 95 C 7 Y 0.095791 0.052802 -0.012770 0.005775 -0.033928 96 C 7 Z -0.010560 -0.005572 0.001740 -0.019028 -0.000003 97 C 7 X 0.035394 0.015026 -0.048855 0.048227 0.027074 98 C 7 Y 0.056071 0.007379 -0.026209 0.019068 0.028598 99 C 7 Z -0.008418 0.004132 0.003132 -0.010690 -0.001779 100 C 7 XX -0.011835 -0.003665 -0.002766 -0.000390 0.002298 101 C 7 YY 0.007052 -0.000493 0.000849 0.003275 -0.000706 102 C 7 ZZ 0.004784 0.004158 0.001917 -0.002885 -0.001592 103 C 7 XY -0.003905 0.000134 0.009331 -0.005862 0.003505 104 C 7 XZ 0.002958 0.000433 0.000438 -0.000057 -0.001556 105 C 7 YZ 0.001439 -0.000024 -0.000805 0.001548 -0.000696 106 C 8 S -0.000560 0.000343 -0.002605 0.002821 0.000681 107 C 8 S 0.023948 0.011198 0.054700 -0.074903 0.001668 108 C 8 S 0.014615 -0.013675 0.042458 -0.065426 -0.005158 109 C 8 X -0.078693 -0.025323 0.009343 -0.026673 0.044258 110 C 8 Y 0.011832 0.004104 -0.043628 0.048809 -0.033001 111 C 8 Z -0.003926 -0.003902 -0.008709 0.007586 -0.003847 112 C 8 X -0.038942 -0.010988 -0.012062 -0.006987 0.037300 113 C 8 Y -0.004738 0.012274 -0.027448 0.034241 0.001957 114 C 8 Z -0.004259 0.000154 -0.004391 0.005666 0.000531 115 C 8 XX 0.010788 0.003919 0.001398 -0.000248 -0.004491 116 C 8 YY -0.009017 -0.003815 -0.000068 -0.001083 0.003168 117 C 8 ZZ -0.001771 -0.000104 -0.001330 0.001331 0.001323 118 C 8 XY -0.003698 -0.001672 -0.005441 0.006750 -0.000392 119 C 8 XZ 0.000279 -0.000203 -0.000792 0.000969 -0.000512 120 C 8 YZ -0.000720 -0.000090 0.000477 -0.000568 0.000487 121 C 9 S 0.001103 0.001838 0.003129 -0.004085 0.001415 122 C 9 S -0.040063 -0.048756 -0.101571 0.107132 -0.046945 123 C 9 S 0.003173 -0.051577 -0.070212 0.098745 -0.058390 124 C 9 X 0.020800 0.031041 0.008165 -0.022985 -0.034586 125 C 9 Y -0.039818 0.011056 0.028037 0.038227 0.065626 126 C 9 Z -0.046488 -0.079523 -0.066226 0.038395 -0.027907 127 C 9 X 0.009666 0.016307 0.009870 -0.013062 -0.031100 128 C 9 Y -0.025861 -0.021990 0.009491 0.018781 0.004580 129 C 9 Z -0.017284 -0.071723 -0.036277 0.029640 -0.029007 130 C 9 XX -0.010080 -0.006718 -0.001642 0.005516 0.007301 131 C 9 YY 0.002065 -0.007089 -0.005901 -0.000628 -0.007143 132 C 9 ZZ 0.008015 0.013807 0.007542 -0.004888 -0.000158 133 C 9 XY -0.000383 0.001604 0.002311 -0.005813 -0.002515 134 C 9 XZ 0.002138 0.002940 0.001194 -0.001001 -0.001775 135 C 9 YZ -0.000606 0.004309 0.005435 0.000243 0.005910 136 C 10 S 0.006159 -0.001884 -0.003659 0.002280 0.000942 137 C 10 S -0.087815 0.013620 0.071572 -0.069052 -0.015241 138 C 10 S -0.071100 0.037086 0.014773 -0.074455 0.025325 139 C 10 X -0.080874 -0.094380 0.036719 0.015592 0.115010 140 C 10 Y -0.063635 0.000701 -0.064632 -0.086720 0.062377 141 C 10 Z 0.010554 0.015113 -0.012564 -0.010563 -0.016735 142 C 10 X 0.074546 -0.043826 -0.017903 0.065889 0.084402 143 C 10 Y 0.020443 0.007630 -0.048268 -0.007638 0.053120 144 C 10 Z -0.009057 -0.000638 0.001945 -0.007348 -0.013635 145 C 10 XX -0.005999 0.001890 -0.006823 -0.005566 -0.002017 146 C 10 YY 0.004367 0.000103 0.007683 0.003206 0.000301 147 C 10 ZZ 0.001632 -0.001994 -0.000860 0.002360 0.001716 148 C 10 XY -0.009852 -0.003264 0.002738 0.005257 0.003672 149 C 10 XZ 0.001679 -0.001571 0.002558 0.003029 -0.000513 150 C 10 YZ 0.001023 0.000570 -0.001230 -0.000349 -0.001367 151 C 11 S -0.006584 -0.000085 -0.005153 -0.003567 -0.001294 152 C 11 S 0.094631 0.004602 0.061115 0.081991 0.037090 153 C 11 S 0.090075 0.010245 0.038134 0.040186 0.104902 154 C 11 X 0.067594 -0.102274 0.030629 -0.086480 0.057636 155 C 11 Y -0.051473 -0.007667 0.073835 -0.014486 -0.084435 156 C 11 Z 0.005877 0.003860 -0.003059 -0.001163 0.003302 157 C 11 X -0.082212 -0.031098 -0.009097 -0.126095 0.044844 158 C 11 Y 0.000810 -0.003587 0.034699 0.027268 -0.041847 159 C 11 Z 0.001012 0.002570 -0.000168 -0.002104 0.009416 160 C 11 XX 0.008956 -0.000786 -0.006004 0.002362 0.001293 161 C 11 YY -0.006015 0.001955 0.006618 0.000628 0.000274 162 C 11 ZZ -0.002941 -0.001169 -0.000614 -0.002990 -0.001568 163 C 11 XY -0.007336 0.004855 -0.005690 0.006502 0.004580 164 C 11 XZ -0.000206 -0.000872 0.001192 -0.001310 0.000095 165 C 11 YZ 0.000282 0.000334 -0.000299 0.000139 -0.001295 166 C 12 S 0.000715 0.002363 -0.006373 -0.004868 0.004859 167 C 12 S 0.097215 0.071102 -0.135163 -0.031012 0.029384 168 C 12 S 0.112058 0.014851 -0.052241 0.044596 0.004832 169 C 12 X -0.058257 0.080167 0.024309 -0.123041 -0.116092 170 C 12 Y -0.006219 0.034976 -0.090553 -0.094420 0.111250 171 C 12 Z -0.004950 0.025339 -0.044415 -0.043678 -0.002953 172 C 12 X 0.013191 0.025426 -0.014336 -0.032291 -0.026387 173 C 12 Y -0.041135 0.002964 0.008602 -0.036327 0.002551 174 C 12 Z -0.006841 0.000797 0.000603 -0.015336 0.001937 175 C 12 XX -0.005115 -0.001200 0.009936 -0.000028 -0.002546 176 C 12 YY 0.001984 -0.000421 -0.004285 0.000083 0.001727 177 C 12 ZZ 0.003132 0.001620 -0.005650 -0.000055 0.000819 178 C 12 XY -0.003147 -0.007947 0.006319 0.002545 -0.002442 179 C 12 XZ 0.000787 -0.003835 0.004742 0.002817 0.001866 180 C 12 YZ -0.000183 -0.003701 0.005309 0.001872 -0.001456 181 C 13 S -0.000774 -0.005662 0.003250 -0.002633 0.006025 182 C 13 S -0.019739 -0.155338 0.106326 -0.013610 0.038368 183 C 13 S -0.008560 -0.062739 0.039088 0.008206 -0.014659 184 C 13 X -0.001931 0.062348 -0.050065 0.038676 -0.144942 185 C 13 Y 0.111488 -0.007055 -0.000427 0.154941 0.073152 186 C 13 Z 0.013072 0.025904 -0.053141 0.030892 -0.051514 187 C 13 X -0.004365 -0.024708 0.015418 0.004530 -0.022177 188 C 13 Y 0.033236 -0.005589 0.001878 0.049782 0.027468 189 C 13 Z 0.000727 -0.002667 -0.002675 0.011066 -0.015809 190 C 13 XX -0.000571 -0.001549 0.007081 0.000246 0.002772 191 C 13 YY 0.000428 0.007611 -0.015697 -0.000812 -0.003448 192 C 13 ZZ 0.000142 -0.006062 0.008616 0.000566 0.000677 193 C 13 XY 0.005592 -0.001354 0.002009 -0.001276 -0.000672 194 C 13 XZ 0.000595 0.003270 -0.001912 0.000111 0.000483 195 C 13 YZ 0.004765 0.001152 -0.002729 0.001299 -0.000537 196 C 14 S 0.000131 0.001876 -0.006014 -0.000935 0.007178 197 C 14 S -0.080906 0.082856 -0.134306 -0.020999 0.048318 198 C 14 S -0.110400 0.038583 -0.053943 -0.050286 -0.014703 199 C 14 X 0.078591 0.072070 0.003469 0.170875 0.048530 200 C 14 Y -0.005156 -0.027621 0.095704 0.042399 -0.149469 201 C 14 Z 0.015732 0.019952 -0.025252 0.034926 0.019718 202 C 14 X -0.004425 0.032537 -0.019861 0.043038 0.019292 203 C 14 Y -0.040798 0.006464 -0.008784 -0.023464 -0.030345 204 C 14 Z 0.001160 -0.000087 0.001017 0.008318 0.003868 205 C 14 XX 0.004997 -0.003523 0.010122 0.004206 -0.003765 206 C 14 YY -0.002505 0.000801 -0.003609 -0.001692 0.001428 207 C 14 ZZ -0.002492 0.002721 -0.006513 -0.002515 0.002337 208 C 14 XY 0.000220 0.008698 -0.005043 0.001550 0.004072 209 C 14 XZ -0.000413 -0.003015 0.005042 -0.001634 -0.000874 210 C 14 YZ 0.000671 0.002809 -0.004108 -0.000470 0.001848 211 F 15 S -0.000325 -0.000871 0.001825 0.000546 -0.000515 212 F 15 S -0.035336 -0.025573 0.058175 0.012109 -0.015209 213 F 15 S -0.055375 -0.032286 0.077769 0.013172 -0.019225 214 F 15 X -0.006333 0.052211 -0.031627 -0.099765 -0.056570 215 F 15 Y -0.011130 0.008513 -0.030665 -0.063441 0.081055 216 F 15 Z -0.082494 -0.046471 0.157865 0.021893 -0.080901 217 F 15 X -0.004192 0.029277 -0.018054 -0.061357 -0.033141 218 F 15 Y -0.002824 0.005542 -0.021954 -0.038622 0.053662 219 F 15 Z -0.049470 -0.030945 0.102657 0.017018 -0.053264 220 F 15 XX -0.002061 -0.000308 0.003064 -0.000755 -0.002188 221 F 15 YY -0.001881 -0.001473 0.003908 0.001360 -0.002022 222 F 15 ZZ 0.003942 0.001781 -0.006972 -0.000605 0.004210 223 F 15 XY -0.000051 -0.000181 -0.000299 -0.000241 0.001035 224 F 15 XZ -0.000414 -0.002823 0.002846 0.004175 0.001405 225 F 15 YZ 0.000764 -0.000314 0.000817 0.002357 -0.002663 226 F 16 S -0.001204 -0.000533 0.001734 0.000491 -0.001433 227 F 16 S -0.038772 -0.021566 0.060351 0.015302 -0.049022 228 F 16 S -0.050024 -0.029518 0.082253 0.020241 -0.069458 229 F 16 X -0.008391 0.052033 -0.043234 -0.118852 -0.027291 230 F 16 Y -0.082060 -0.025274 0.122540 -0.013327 -0.137801 231 F 16 Z 0.035971 0.034444 -0.118910 -0.072383 0.112247 232 F 16 X -0.004973 0.030400 -0.024596 -0.073318 -0.017974 233 F 16 Y -0.047758 -0.015582 0.076718 -0.005884 -0.088608 234 F 16 Z 0.024467 0.021981 -0.077484 -0.046797 0.073192 235 F 16 XX -0.002191 -0.000108 0.003141 -0.000972 -0.003894 236 F 16 YY 0.002985 0.000102 -0.003083 0.001949 0.003921 237 F 16 ZZ -0.000794 0.000006 -0.000059 -0.000976 -0.000027 238 F 16 XY -0.000415 -0.002267 0.002536 0.003852 -0.000335 239 F 16 XZ 0.000250 0.001438 -0.001961 -0.002772 0.000674 240 F 16 YZ -0.002762 -0.001673 0.006279 0.002271 -0.005774 241 F 17 S 0.000947 -0.000538 0.001473 0.000862 -0.000975 242 F 17 S 0.034406 -0.026732 0.057895 0.031360 -0.041155 243 F 17 S 0.046012 -0.038014 0.080787 0.044914 -0.059922 244 F 17 X 0.031273 0.040241 -0.023185 0.113538 0.062993 245 F 17 Y -0.066469 0.035456 -0.093569 -0.090472 0.044573 246 F 17 Z -0.042683 0.049097 -0.137927 -0.064185 0.155387 247 F 17 X 0.018460 0.022655 -0.011566 0.070696 0.037824 248 F 17 Y -0.038019 0.020847 -0.057504 -0.055887 0.029314 249 F 17 Z -0.027944 0.030996 -0.089171 -0.041884 0.101491 250 F 17 XX 0.002018 -0.001112 0.003491 0.002880 -0.002478 251 F 17 YY -0.001847 0.000265 -0.000915 -0.002229 -0.001028 252 F 17 ZZ -0.000171 0.000847 -0.002576 -0.000651 0.003507 253 F 17 XY 0.000908 0.001581 -0.000977 0.003122 0.002033 254 F 17 XZ 0.000695 0.001414 -0.001097 0.002526 0.002202 255 F 17 YZ -0.003036 0.002392 -0.006445 -0.003787 0.005491 256 F 18 S 0.000146 -0.000898 0.001863 0.000339 -0.000937 257 F 18 S 0.028872 -0.029698 0.058287 0.014651 -0.026377 258 F 18 S 0.046334 -0.038831 0.076962 0.021705 -0.032830 259 F 18 X 0.018564 0.050958 -0.047385 0.095535 0.079145 260 F 18 Y -0.025145 0.012245 -0.012764 0.007440 -0.070827 261 F 18 Z 0.068018 -0.053601 0.153777 0.085186 -0.102912 262 F 18 X 0.010587 0.027963 -0.027550 0.057212 0.050299 263 F 18 Y -0.011496 0.006831 -0.006191 0.007520 -0.044553 264 F 18 Z 0.040722 -0.035223 0.100888 0.054024 -0.068845 265 F 18 XX 0.001979 -0.000461 0.002648 0.002785 -0.000582 266 F 18 YY 0.000986 -0.001361 0.003470 0.001387 -0.003717 267 F 18 ZZ -0.002965 0.001822 -0.006118 -0.004172 0.004299 268 F 18 XY 0.000099 0.000968 -0.000692 0.001461 0.000328 269 F 18 XZ -0.000142 -0.002703 0.003451 -0.002682 -0.003856 270 F 18 YZ 0.001945 -0.001103 0.002389 0.000911 0.001056 271 C 19 S 0.003840 0.001484 0.002625 -0.003164 -0.000002 272 C 19 S -0.065195 -0.024150 -0.053622 0.057205 0.007324 273 C 19 S -0.035458 -0.017599 -0.025845 0.034818 -0.008769 274 C 19 X -0.017490 -0.006866 -0.007982 0.011621 0.013844 275 C 19 Y -0.003409 -0.002686 -0.023712 0.038824 -0.003448 276 C 19 Z -0.001361 -0.000964 -0.003551 0.005375 -0.000149 277 C 19 X -0.003619 0.000895 -0.005069 0.008254 0.005221 278 C 19 Y -0.006926 -0.002307 -0.013433 0.015195 0.005401 279 C 19 Z -0.000406 -0.001383 -0.003089 0.002529 0.000883 280 C 19 XX 0.001187 0.000376 -0.000808 0.000812 -0.000524 281 C 19 YY -0.001157 -0.000173 0.002390 -0.003433 0.000862 282 C 19 ZZ -0.000030 -0.000203 -0.001581 0.002621 -0.000338 283 C 19 XY 0.002248 0.001004 0.002091 -0.003224 -0.001046 284 C 19 XZ 0.000321 0.000240 0.000400 -0.000522 -0.000098 285 C 19 YZ -0.000023 0.000050 0.000663 -0.001005 0.000150 286 H 20 S -0.043337 -0.016348 -0.029731 0.032811 0.013644 287 H 20 S -0.007421 -0.004025 -0.005785 0.005594 0.002813 288 H 20 X 0.005114 0.001911 0.003553 -0.003901 -0.001138 289 H 20 Y -0.001715 -0.000700 -0.001263 0.001598 0.000470 290 H 20 Z -0.000002 0.000057 0.000067 0.000006 -0.000019 291 H 21 S -0.031291 -0.012079 -0.035083 0.043076 0.000765 292 H 21 S -0.003871 -0.002132 -0.005847 0.008448 -0.000461 293 H 21 X -0.001289 -0.000537 -0.000988 0.001163 0.000437 294 H 21 Y 0.002931 0.001201 0.002408 -0.002419 -0.000372 295 H 21 Z -0.003112 -0.001146 -0.003487 0.004281 0.000046 296 C 22 S -0.005593 0.002614 0.001883 0.003006 0.001429 297 C 22 S 0.103371 -0.051596 -0.035528 -0.057991 -0.019561 298 C 22 S 0.057274 -0.023248 -0.020829 -0.029782 -0.014293 299 C 22 X 0.021089 -0.012158 -0.002947 -0.021045 0.006795 300 C 22 Y -0.009412 0.007235 0.015040 0.031069 0.018339 301 C 22 Z -0.002083 0.001431 0.000980 0.002634 0.000366 302 C 22 X 0.006226 -0.003759 -0.002320 -0.010229 0.000736 303 C 22 Y -0.011670 0.009390 0.006235 0.015027 0.005845 304 C 22 Z -0.000254 0.001194 0.000439 0.000088 0.000317 305 C 22 XX -0.001363 0.000477 -0.000901 -0.000600 -0.001850 306 C 22 YY 0.000190 0.000337 0.001583 0.002924 0.001998 307 C 22 ZZ 0.001173 -0.000814 -0.000682 -0.002324 -0.000148 308 C 22 XY 0.002786 -0.001673 -0.000798 -0.003218 -0.000180 309 C 22 XZ 0.000259 -0.000091 0.000004 -0.000274 0.000050 310 C 22 YZ -0.000262 0.000236 0.000174 0.000426 0.000122 311 H 23 S 0.046638 -0.023833 -0.024400 -0.036561 -0.022947 312 H 23 S 0.005575 -0.002508 -0.004789 -0.007956 -0.003932 313 H 23 X 0.004374 -0.002243 -0.002286 -0.003675 -0.001903 314 H 23 Y 0.004719 -0.002389 -0.001975 -0.002748 -0.001451 315 H 23 Z 0.000054 -0.000071 -0.000042 0.000029 -0.000047 316 H 24 S 0.059182 -0.030561 -0.020381 -0.040875 -0.009424 317 H 24 S 0.007805 -0.004267 -0.003052 -0.006872 -0.001426 318 H 24 X -0.004108 0.002035 0.001610 0.002652 0.001035 319 H 24 Y 0.000819 -0.000338 -0.000015 0.000036 0.000250 320 H 24 Z -0.006467 0.003318 0.002082 0.004130 0.000890 321 H 25 S 0.060276 -0.031198 -0.020372 -0.041065 -0.008901 322 H 25 S 0.008622 -0.004746 -0.003566 -0.007884 -0.001751 323 H 25 X -0.003697 0.001803 0.001451 0.002408 0.000968 324 H 25 Y 0.000042 0.000021 0.000207 0.000508 0.000319 325 H 25 Z 0.006839 -0.003526 -0.002198 -0.004290 -0.000939 326 C 26 S -0.005187 -0.011510 -0.007288 0.003942 -0.002267 327 C 26 S 0.093954 0.168531 0.110544 -0.073092 0.026747 328 C 26 S 0.056572 0.102829 0.080433 -0.049517 0.016596 329 C 26 X 0.003556 0.006160 -0.000653 -0.003154 -0.008105 330 C 26 Y -0.009483 0.004211 0.000843 0.015801 0.011210 331 C 26 Z -0.012085 -0.027724 -0.041921 0.041111 -0.021874 332 C 26 X -0.002065 -0.001984 0.000269 0.003060 -0.000653 333 C 26 Y 0.004010 -0.006171 -0.007027 -0.000149 -0.004378 334 C 26 Z -0.009464 -0.010811 -0.012898 0.017944 -0.008956 335 C 26 XX 0.001355 0.000928 0.002256 -0.002933 0.001060 336 C 26 YY 0.000496 0.001274 0.002773 -0.002290 0.002017 337 C 26 ZZ -0.001851 -0.002202 -0.005029 0.005224 -0.003076 338 C 26 XY 0.000130 0.000017 -0.000271 -0.000063 -0.000072 339 C 26 XZ 0.000205 0.000550 -0.000125 -0.000194 -0.000489 340 C 26 YZ -0.000524 -0.000423 -0.001180 0.002151 0.000726 341 H 27 S 0.051321 0.082508 0.064664 -0.051785 0.017304 342 H 27 S 0.008413 0.012130 0.007417 -0.007514 -0.001198 343 H 27 X 0.005254 0.008390 0.005923 -0.004947 0.000864 344 H 27 Y 0.003941 0.007683 0.005693 -0.003516 0.001656 345 H 27 Z 0.001270 0.002092 0.000989 -0.000625 -0.000285 346 H 28 S 0.045159 0.096002 0.071473 -0.042035 0.029451 347 H 28 S 0.002792 0.017858 0.015082 -0.005857 0.006698 348 H 28 X 0.001301 0.002654 0.001469 -0.001109 0.000494 349 H 28 Y -0.005510 -0.011105 -0.007777 0.004760 -0.002961 350 H 28 Z 0.002904 0.005290 0.003426 -0.001917 0.000779 351 H 29 S 0.053520 0.092787 0.065166 -0.053199 0.012323 352 H 29 S 0.009270 0.013653 0.010108 -0.011466 0.003149 353 H 29 X -0.006105 -0.010903 -0.007321 0.005815 -0.001426 354 H 29 Y 0.002055 0.005415 0.003610 -0.001959 0.001261 355 H 29 Z 0.001863 0.002498 0.001515 -0.001091 0.000343 356 C 30 S 0.002875 -0.011735 -0.006322 -0.001243 -0.004361 357 C 30 S -0.065463 0.171466 0.095390 0.032454 0.065224 358 C 30 S -0.031884 0.108031 0.067116 0.019751 0.046193 359 C 30 X -0.000951 0.008700 0.002557 0.009170 0.002887 360 C 30 Y -0.010743 -0.001209 -0.004115 0.021084 0.002833 361 C 30 Z -0.008745 0.029152 0.037502 0.014507 0.045937 362 C 30 X -0.000137 -0.002793 0.001913 -0.000452 -0.001095 363 C 30 Y 0.006790 0.006927 0.005305 -0.003496 0.000709 364 C 30 Z -0.013200 0.012921 0.008257 0.008269 0.019252 365 C 30 XX -0.001347 0.001023 0.001569 0.001321 0.002970 366 C 30 YY -0.000677 0.001524 0.002570 0.000428 0.003085 367 C 30 ZZ 0.002024 -0.002547 -0.004139 -0.001749 -0.006055 368 C 30 XY -0.000115 -0.000184 0.000157 0.000006 -0.000410 369 C 30 XZ 0.000071 -0.000767 -0.000363 -0.001009 -0.001002 370 C 30 YZ 0.000344 -0.000890 -0.000935 -0.002106 -0.000783 371 H 31 S -0.029378 0.097887 0.064337 0.009642 0.049004 372 H 31 S 0.003128 0.016861 0.014149 -0.000745 0.008670 373 H 31 X 0.000179 -0.000271 -0.000514 0.000231 -0.000095 374 H 31 Y -0.003672 0.011305 0.007089 0.001409 0.005378 375 H 31 Z 0.002005 -0.005630 -0.002916 -0.000900 -0.002003 376 H 32 S -0.037669 0.085257 0.054602 0.021972 0.045218 377 H 32 S -0.006511 0.010033 0.012134 0.005197 0.003557 378 H 32 X -0.004225 0.009617 0.006330 0.002806 0.004284 379 H 32 Y 0.001765 -0.005956 -0.004065 -0.000478 -0.002393 380 H 32 Z 0.001295 -0.002853 -0.001355 -0.000718 -0.000488 381 H 33 S -0.038014 0.094927 0.055011 0.031874 0.045377 382 H 33 S -0.006933 0.013524 0.008194 0.007681 0.009907 383 H 33 X 0.004041 -0.009880 -0.005590 -0.003135 -0.004418 384 H 33 Y 0.001905 -0.007494 -0.004372 -0.001322 -0.003120 385 H 33 Z 0.000915 -0.001658 -0.000689 -0.000233 -0.000297 386 H 34 S -0.031460 -0.012125 -0.035313 0.043460 0.000448 387 H 34 S -0.004160 -0.000806 -0.004349 0.007583 -0.000570 388 H 34 X -0.001654 -0.000627 -0.001311 0.001612 0.000411 389 H 34 Y 0.002180 0.000814 0.001492 -0.001363 -0.000349 390 H 34 Z 0.003550 0.001291 0.003810 -0.004584 -0.000062 391 F 35 S 0.000191 0.002338 -0.001485 0.000608 -0.001641 392 F 35 S 0.008155 0.070482 -0.042056 0.016499 -0.045167 393 F 35 S 0.011189 0.089915 -0.054087 0.021906 -0.060946 394 F 35 X -0.020226 -0.147216 0.098689 -0.049975 0.109336 395 F 35 Y 0.054104 -0.020392 0.010886 0.129585 0.091988 396 F 35 Z 0.012007 0.066382 -0.071126 0.054023 -0.125951 397 F 35 X -0.012208 -0.090984 0.060830 -0.032491 0.071594 398 F 35 Y 0.031043 -0.012716 0.006857 0.079525 0.057427 399 F 35 Z 0.007742 0.044090 -0.045823 0.034659 -0.081606 400 F 35 XX -0.000977 -0.005819 0.003486 -0.001950 0.003393 401 F 35 YY 0.000849 0.003687 -0.002639 0.001918 -0.002761 402 F 35 ZZ 0.000129 0.002132 -0.000847 0.000032 -0.000632 403 F 35 XY 0.002454 -0.001380 0.000768 0.004630 0.003708 404 F 35 XZ 0.000834 0.004810 -0.004106 0.002641 -0.005966 405 F 35 YZ -0.000732 0.000558 -0.000449 -0.001280 -0.001491 406 F 36 S 0.000193 0.001278 -0.001450 0.000132 -0.000549 407 F 36 S 0.007567 0.057651 -0.051101 0.007226 -0.023923 408 F 36 S 0.010079 0.082423 -0.072586 0.010416 -0.034556 409 F 36 X -0.001768 0.029453 -0.019724 0.030136 -0.118552 410 F 36 Y 0.054163 0.010358 -0.015048 0.123856 0.050139 411 F 36 Z -0.012083 -0.138835 0.139422 -0.016290 0.096808 412 F 36 X -0.000156 0.022209 -0.015562 0.019201 -0.075352 413 F 36 Y 0.029276 0.007287 -0.010011 0.076353 0.031123 414 F 36 Z -0.007938 -0.086455 0.087851 -0.011492 0.063864 415 F 36 XX 0.000409 0.003507 -0.003111 0.000714 -0.002280 416 F 36 YY -0.000009 0.003129 -0.002998 -0.000137 -0.002379 417 F 36 ZZ -0.000400 -0.006636 0.006109 -0.000577 0.004660 418 F 36 XY 0.000109 -0.000096 0.000071 -0.000029 0.000449 419 F 36 XZ -0.000078 0.001341 -0.000863 0.001164 -0.004456 420 F 36 YZ 0.002711 0.000899 -0.001061 0.005041 0.001602 421 C 37 S 0.003371 -0.000115 -0.003512 0.003366 -0.002573 422 C 37 S -0.056625 -0.018243 0.033251 -0.043438 0.028967 423 C 37 S -0.045013 0.018817 0.023585 -0.028734 0.047924 424 C 37 X -0.003633 0.005162 0.019267 -0.039635 0.011537 425 C 37 Y 0.011007 0.007133 0.064449 -0.086026 0.033676 426 C 37 Z -0.004246 -0.007904 0.001062 -0.008331 0.000603 427 C 37 X 0.010945 -0.016715 0.002730 -0.008472 -0.014244 428 C 37 Y 0.007910 0.012086 0.017414 -0.013231 -0.005979 429 C 37 Z 0.000238 0.002634 0.002945 -0.002914 -0.002176 430 C 37 XX -0.001357 -0.000571 -0.002346 0.004924 0.000899 431 C 37 YY -0.001055 -0.000801 0.001482 -0.003959 -0.000650 432 C 37 ZZ 0.002413 0.001372 0.000863 -0.000965 -0.000250 433 C 37 XY -0.005078 -0.002849 -0.007543 0.009435 -0.001834 434 C 37 XZ -0.000239 0.000830 -0.000110 0.001825 0.000601 435 C 37 YZ -0.000208 0.000379 0.000111 0.000532 0.000207 436 S 38 S 0.000057 -0.000019 -0.000023 0.000191 0.000159 437 S 38 S -0.000602 -0.000373 -0.000189 0.001250 0.001033 438 S 38 S 0.188229 0.066374 -0.005880 0.015097 -0.078029 439 S 38 S 0.169817 0.067151 -0.004840 0.004467 -0.090086 440 S 38 X -0.002467 -0.000691 -0.000223 0.000164 0.000845 441 S 38 Y 0.000372 -0.000202 -0.000420 0.000782 0.001331 442 S 38 Z -0.000041 0.000001 0.000104 0.000119 -0.000021 443 S 38 X 0.035182 0.008741 0.013623 -0.003557 -0.021560 444 S 38 Y 0.013117 0.008008 0.011911 -0.013822 -0.030908 445 S 38 Z -0.001128 -0.001776 -0.001442 -0.002862 -0.002110 446 S 38 X 0.010956 0.002956 0.000273 -0.005356 0.000799 447 S 38 Y 0.006833 0.001707 0.002577 -0.004647 -0.007410 448 S 38 Z 0.000587 -0.001750 -0.002031 -0.000895 0.001265 449 S 38 XX 0.012019 0.005421 0.006071 -0.007788 -0.008453 450 S 38 YY -0.007081 -0.004271 -0.006729 0.007864 0.008726 451 S 38 ZZ -0.004938 -0.001150 0.000657 -0.000075 -0.000272 452 S 38 XY -0.002588 0.000697 -0.000573 -0.002663 0.001801 453 S 38 XZ 0.000129 -0.000119 -0.000013 -0.000087 -0.000461 454 S 38 YZ 0.000550 0.000863 0.000155 0.000754 0.000180 455 S 38 XX 0.002037 0.000815 0.001138 -0.001266 -0.001678 456 S 38 YY -0.001154 -0.000628 -0.001196 0.001410 0.001704 457 S 38 ZZ -0.000883 -0.000188 0.000058 -0.000143 -0.000026 458 S 38 XY -0.000398 0.000081 -0.000129 -0.000467 0.000227 459 S 38 XZ 0.000071 -0.000018 -0.000016 0.000028 -0.000100 460 S 38 YZ 0.000091 0.000062 0.000008 0.000212 0.000088 461 H 39 S -0.034072 -0.005937 0.022892 -0.038333 0.020692 462 H 39 S -0.007961 0.006050 0.006949 -0.006551 0.008751 463 H 39 X 0.004346 0.001294 -0.002556 0.003890 -0.001937 464 H 39 Y -0.000069 0.000067 0.002203 -0.003627 0.001208 465 H 39 Z -0.000167 -0.000352 -0.000116 -0.000301 -0.000045 56 57 58 59 60 -0.8090 -0.8040 -0.7900 -0.7770 -0.7651 A A A A A 1 C 1 S 0.000557 -0.001791 0.000432 -0.003784 0.000769 2 C 1 S -0.015750 0.043931 -0.000211 0.140636 -0.033792 3 C 1 S -0.024215 0.038913 -0.012578 0.135464 -0.039421 4 C 1 X -0.017089 0.007493 0.039361 -0.076077 0.004955 5 C 1 Y -0.014033 0.008042 0.020823 -0.018626 0.002518 6 C 1 Z 0.000259 -0.000048 -0.001908 0.004786 0.000922 7 C 1 X -0.009212 -0.001947 0.026130 -0.036230 0.004037 8 C 1 Y -0.007245 0.019884 0.012607 0.010999 0.005394 9 C 1 Z -0.000451 0.001917 -0.000974 0.004070 -0.001372 10 C 1 XX 0.000334 0.002022 -0.002464 0.005969 -0.001168 11 C 1 YY -0.001032 -0.000521 0.002371 -0.002594 0.000395 12 C 1 ZZ 0.000698 -0.001501 0.000093 -0.003375 0.000773 13 C 1 XY -0.001215 0.003635 0.001071 0.000743 -0.000976 14 C 1 XZ 0.000207 -0.000191 0.000286 -0.001058 0.000311 15 C 1 YZ 0.000025 -0.000219 0.000123 0.000056 0.000081 16 C 2 S -0.001744 -0.000280 0.000569 0.001044 -0.000705 17 C 2 S 0.021142 -0.004240 -0.029833 -0.030428 0.009815 18 C 2 S 0.039015 -0.002676 0.002666 -0.036236 0.022118 19 C 2 X -0.013392 0.014753 -0.007515 0.160842 -0.027248 20 C 2 Y -0.012562 -0.030091 0.045258 -0.105328 0.020989 21 C 2 Z -0.002412 -0.002210 0.000691 -0.013361 0.002719 22 C 2 X -0.001408 0.012319 0.004987 0.029379 -0.000502 23 C 2 Y 0.004987 -0.007752 0.009194 -0.033048 0.001975 24 C 2 Z 0.000719 0.000288 -0.001886 -0.003181 0.001549 25 C 2 XX 0.000138 0.004065 -0.001793 0.013852 -0.002424 26 C 2 YY 0.000604 -0.004726 0.002350 -0.014891 0.002862 27 C 2 ZZ -0.000742 0.000661 -0.000557 0.001040 -0.000438 28 C 2 XY 0.000239 -0.001141 -0.001200 0.001239 0.000920 29 C 2 XZ 0.000204 -0.000191 -0.000008 -0.000873 0.000499 30 C 2 YZ -0.000444 -0.000351 -0.000704 -0.001040 -0.000259 31 C 3 S -0.000030 -0.001691 -0.002111 0.003266 -0.001206 32 C 3 S -0.026917 -0.023477 0.050348 -0.085754 0.005930 33 C 3 S 0.001433 0.066536 0.053259 -0.071871 0.048620 34 C 3 X 0.003543 -0.079840 -0.009146 0.046105 0.019597 35 C 3 Y -0.025799 0.014068 0.002477 0.138433 -0.029347 36 C 3 Z -0.009626 -0.006235 -0.009194 0.004981 -0.003018 37 C 3 X -0.004485 -0.081516 0.006218 0.024359 -0.024360 38 C 3 Y 0.019413 0.022916 0.017820 0.059978 0.004803 39 C 3 Z -0.000202 -0.005564 0.001891 0.006542 0.004909 40 C 3 XX -0.000206 0.001888 0.001373 0.001836 -0.000253 41 C 3 YY 0.000021 -0.002347 -0.000793 -0.003148 0.001499 42 C 3 ZZ 0.000185 0.000459 -0.000581 0.001312 -0.001246 43 C 3 XY 0.002894 -0.007128 -0.001897 0.000307 0.000611 44 C 3 XZ 0.000926 -0.000585 0.003134 0.000702 0.001567 45 C 3 YZ -0.000890 -0.001149 -0.000677 0.000265 -0.000314 46 C 4 S -0.001045 0.002262 0.001237 -0.001322 -0.000097 47 C 4 S 0.032338 -0.056916 -0.048049 0.070538 0.004748 48 C 4 S 0.025620 -0.057627 -0.054686 0.051556 0.005733 49 C 4 X 0.029743 0.017309 -0.029666 -0.063100 0.008225 50 C 4 Y 0.034075 0.040343 -0.045679 0.043352 -0.015404 51 C 4 Z -0.016418 0.006396 0.020223 -0.019104 0.001687 52 C 4 X 0.019093 0.008537 -0.017457 -0.026617 0.011080 53 C 4 Y 0.023487 0.011274 -0.005314 0.026521 -0.017857 54 C 4 Z -0.008894 0.010112 0.011941 -0.007834 -0.009656 55 C 4 XX -0.002901 -0.002192 0.002315 -0.001706 0.000135 56 C 4 YY 0.002744 -0.000030 -0.001622 0.000507 0.000373 57 C 4 ZZ 0.000158 0.002221 -0.000693 0.001199 -0.000508 58 C 4 XY -0.001862 -0.002664 0.000998 0.000816 -0.000426 59 C 4 XZ -0.001217 -0.000275 0.002056 0.002978 -0.000313 60 C 4 YZ -0.002890 -0.001649 0.003782 -0.003499 0.001115 61 S 5 S 0.000096 -0.000103 -0.000285 0.000311 -0.000021 62 S 5 S 0.000711 -0.000658 -0.001980 0.001697 -0.000121 63 S 5 S -0.013348 0.029021 0.026126 -0.108788 0.010881 64 S 5 S -0.013678 0.031273 0.036774 -0.130137 0.006550 65 S 5 X -0.000113 -0.000448 -0.000146 0.000969 0.000254 66 S 5 Y -0.001027 0.001407 0.001428 0.001287 -0.000681 67 S 5 Z -0.000031 0.000103 0.000090 0.000240 -0.000151 68 S 5 X -0.002979 0.014349 0.006531 -0.029315 0.000555 69 S 5 Y 0.028231 -0.030853 -0.034650 -0.033038 0.015084 70 S 5 Z 0.001031 -0.004582 -0.000235 -0.004722 0.002909 71 S 5 X -0.002474 0.006956 -0.000407 -0.017353 0.002789 72 S 5 Y 0.005513 -0.011980 -0.008138 -0.014386 0.006736 73 S 5 Z 0.000659 -0.002162 0.001095 -0.001583 0.001636 74 S 5 XX 0.001282 -0.005080 -0.000916 0.001973 0.001355 75 S 5 YY -0.001387 0.005039 0.001093 0.002236 -0.002135 76 S 5 ZZ 0.000105 0.000041 -0.000177 -0.004209 0.000780 77 S 5 XY -0.007312 0.009618 0.008572 0.008630 -0.004193 78 S 5 XZ -0.000943 0.002506 0.000572 0.000985 -0.001018 79 S 5 YZ 0.001078 -0.001431 -0.001168 -0.001383 0.000526 80 S 5 XX 0.000120 -0.000938 -0.000211 0.000182 0.000269 81 S 5 YY -0.000154 0.000928 0.000192 0.000475 -0.000365 82 S 5 ZZ 0.000034 0.000010 0.000019 -0.000658 0.000095 83 S 5 XY -0.001355 0.001720 0.001610 0.001514 -0.000754 84 S 5 XZ -0.000088 0.000350 0.000123 0.000250 -0.000164 85 S 5 YZ 0.000161 -0.000208 -0.000173 -0.000262 0.000104 86 H 6 S 0.026267 0.005016 -0.038086 -0.041879 0.009016 87 H 6 S 0.004478 0.003707 -0.015006 -0.016606 -0.002929 88 H 6 X 0.001380 0.001494 -0.003059 0.000734 -0.000532 89 H 6 Y 0.001795 -0.000296 -0.002669 -0.005943 0.000974 90 H 6 Z -0.000087 -0.000059 0.000012 -0.000351 0.000117 91 C 7 S 0.001170 0.002877 -0.001866 0.002517 -0.001726 92 C 7 S -0.044682 0.000989 0.078024 -0.071192 0.018227 93 C 7 S -0.011616 -0.089680 0.056514 -0.081339 0.034765 94 C 7 X 0.011623 0.066587 0.000074 0.028531 -0.017344 95 C 7 Y 0.036145 0.012389 -0.028116 -0.081710 0.001658 96 C 7 Z -0.004296 -0.005446 -0.018161 0.001297 0.007220 97 C 7 X 0.014086 0.069080 0.028974 0.011650 -0.022148 98 C 7 Y -0.014464 0.039232 -0.009864 -0.044776 -0.001261 99 C 7 Z -0.003353 -0.010997 -0.007797 -0.000168 -0.000951 100 C 7 XX 0.000956 -0.001315 0.001505 -0.003397 -0.000254 101 C 7 YY -0.000732 0.000786 0.000958 0.000641 -0.000086 102 C 7 ZZ -0.000224 0.000529 -0.002462 0.002756 0.000341 103 C 7 XY -0.003800 -0.004161 0.001527 0.001170 0.000894 104 C 7 XZ 0.002084 -0.001184 0.000101 0.001309 -0.001004 105 C 7 YZ 0.001095 0.000070 0.000902 0.000093 -0.000468 106 C 8 S 0.001839 0.001762 0.000148 -0.003350 -0.000767 107 C 8 S -0.033820 -0.041900 0.024019 0.127157 -0.003402 108 C 8 S -0.047106 -0.039898 0.018448 0.124437 0.004575 109 C 8 X -0.020718 -0.018562 0.031623 -0.041336 0.013191 110 C 8 Y 0.025249 0.017701 -0.032674 0.020261 -0.007841 111 C 8 Z 0.003398 0.001758 -0.004104 0.003690 -0.000728 112 C 8 X 0.001746 0.001532 0.029548 -0.042964 -0.006456 113 C 8 Y 0.020739 0.023111 -0.008487 -0.005212 -0.008327 114 C 8 Z 0.003156 0.001637 -0.001123 -0.001146 -0.000235 115 C 8 XX 0.000468 -0.000507 -0.002732 0.005809 -0.000116 116 C 8 YY -0.001478 -0.000605 0.002497 -0.001244 0.000184 117 C 8 ZZ 0.001010 0.001112 0.000235 -0.004565 -0.000067 118 C 8 XY 0.001717 0.002886 -0.000121 -0.003212 -0.000332 119 C 8 XZ 0.000247 0.000358 -0.000237 0.000533 -0.000222 120 C 8 YZ -0.000430 -0.000091 0.000474 -0.000202 0.000052 121 C 9 S -0.000498 -0.001682 0.001705 0.000245 0.000149 122 C 9 S 0.044212 0.051474 -0.035260 0.005194 -0.016566 123 C 9 S 0.013406 0.045269 -0.061021 -0.000558 -0.003364 124 C 9 X 0.045472 -0.001559 -0.064470 -0.055771 -0.001085 125 C 9 Y -0.020396 0.037415 0.045008 -0.085527 0.001024 126 C 9 Z 0.015857 0.008192 -0.017095 0.020906 -0.002020 127 C 9 X 0.026765 -0.005456 -0.036832 -0.031169 0.000047 128 C 9 Y -0.015698 0.003806 0.010519 -0.039596 0.009901 129 C 9 Z -0.003789 0.011075 -0.021908 0.005108 0.012059 130 C 9 XX -0.002710 0.003132 0.004906 -0.006747 0.000770 131 C 9 YY 0.002470 -0.001596 -0.003347 0.003427 -0.000391 132 C 9 ZZ 0.000240 -0.001536 -0.001559 0.003320 -0.000379 133 C 9 XY 0.001992 -0.001301 -0.003904 -0.002457 -0.000159 134 C 9 XZ 0.002570 -0.000364 -0.002289 -0.002318 -0.000403 135 C 9 YZ -0.002750 0.001633 0.003885 -0.005378 0.000470 136 C 10 S -0.001795 0.004361 -0.001500 -0.000962 -0.000179 137 C 10 S -0.005680 -0.044012 -0.045902 0.034287 0.016466 138 C 10 S 0.030751 -0.034843 0.010386 0.040057 0.015928 139 C 10 X -0.083614 0.002329 0.089010 0.030975 0.002392 140 C 10 Y 0.016682 -0.048124 0.027836 -0.122404 0.018859 141 C 10 Z -0.007472 0.020832 -0.046280 -0.000524 0.017281 142 C 10 X -0.071457 0.092402 0.012085 -0.003620 -0.006867 143 C 10 Y 0.016318 0.048876 0.036945 -0.039027 -0.020604 144 C 10 Z 0.001240 0.002631 -0.024422 0.005578 0.025240 145 C 10 XX 0.003650 -0.005784 0.000807 -0.005430 0.003579 146 C 10 YY -0.001899 0.004860 -0.001886 0.007231 -0.003964 147 C 10 ZZ -0.001752 0.000923 0.001079 -0.001801 0.000385 148 C 10 XY -0.005895 -0.006567 0.001931 -0.002960 0.006638 149 C 10 XZ 0.003678 -0.004497 0.003823 0.000479 -0.007565 150 C 10 YZ 0.001868 0.001809 0.000473 0.001602 0.000740 151 C 11 S -0.001840 -0.004583 -0.002136 -0.001343 0.001327 152 C 11 S 0.002356 0.075210 -0.023476 0.036899 -0.031844 153 C 11 S 0.024180 0.052570 0.017349 0.039630 -0.092919 154 C 11 X -0.056226 0.006227 0.053549 0.001673 -0.002273 155 C 11 Y -0.029530 -0.016353 -0.025700 0.125721 -0.005059 156 C 11 Z -0.022204 -0.001886 -0.034354 -0.004528 -0.018961 157 C 11 X -0.055999 -0.085932 -0.011056 -0.015197 -0.022799 158 C 11 Y -0.015847 0.053157 -0.018206 0.036173 0.006551 159 C 11 Z -0.015971 -0.000301 -0.022795 -0.007399 -0.023874 160 C 11 XX 0.002170 0.003743 0.003511 -0.004885 -0.005297 161 C 11 YY -0.001408 -0.002993 -0.004217 0.006260 0.003327 162 C 11 ZZ -0.000762 -0.000750 0.000706 -0.001375 0.001970 163 C 11 XY 0.002655 -0.005624 -0.000144 0.005801 0.003783 164 C 11 XZ 0.004353 0.001626 0.005723 0.000794 0.006085 165 C 11 YZ 0.000015 0.001976 -0.001261 0.000667 0.002425 166 C 12 S 0.005762 0.005024 0.004903 0.002693 0.003473 167 C 12 S 0.016059 0.035596 0.011649 0.000714 0.012786 168 C 12 S -0.062138 0.016925 -0.073885 -0.038408 -0.005991 169 C 12 X 0.107152 -0.026609 -0.123828 -0.056939 -0.003061 170 C 12 Y 0.074829 0.126546 0.037621 0.031244 -0.153282 171 C 12 Z -0.093439 0.152136 -0.093612 0.019579 0.184518 172 C 12 X 0.019796 0.013541 -0.056954 -0.024515 -0.013218 173 C 12 Y 0.040109 0.021713 0.014513 0.022534 -0.007394 174 C 12 Z -0.009289 0.031746 -0.005726 0.002065 0.007600 175 C 12 XX -0.001527 -0.012537 -0.007669 -0.000901 0.004725 176 C 12 YY 0.004400 0.004928 0.011955 0.000758 -0.025526 177 C 12 ZZ -0.002874 0.007610 -0.004286 0.000143 0.020800 178 C 12 XY -0.004868 -0.012271 -0.005809 -0.012272 0.010704 179 C 12 XZ 0.009255 -0.008770 -0.000121 -0.000243 -0.011127 180 C 12 YZ 0.000290 0.006649 -0.002858 0.003883 0.016067 181 C 13 S 0.001575 0.001773 -0.007658 -0.000571 0.000794 182 C 13 S 0.012458 0.007535 -0.019421 -0.018996 0.003646 183 C 13 S 0.013007 -0.013339 0.088481 0.002894 0.001890 184 C 13 X 0.023774 -0.043679 0.195150 -0.013830 0.010160 185 C 13 Y 0.009152 -0.143875 -0.006591 0.017246 0.049748 186 C 13 Z -0.233807 -0.006472 -0.013905 -0.050824 -0.009698 187 C 13 X 0.002167 -0.009488 0.063988 -0.007864 -0.002430 188 C 13 Y -0.003273 -0.050091 -0.004040 0.004407 0.012829 189 C 13 Z -0.032532 -0.006174 0.015037 -0.006930 0.003658 190 C 13 XX -0.007323 0.005749 -0.024230 -0.003818 -0.001698 191 C 13 YY -0.008991 -0.005993 0.018012 0.001923 -0.003144 192 C 13 ZZ 0.016314 0.000244 0.006218 0.001895 0.004842 193 C 13 XY -0.000339 -0.002732 -0.004312 -0.002274 -0.003889 194 C 13 XZ 0.008095 0.000577 -0.010428 0.004677 0.000182 195 C 13 YZ -0.001949 0.009547 0.003053 0.001875 0.013333 196 C 14 S 0.004579 -0.005249 0.002088 0.002093 -0.002746 197 C 14 S 0.006893 -0.043325 0.007702 0.006854 -0.010429 198 C 14 S -0.053930 -0.007154 -0.048221 -0.031249 0.002034 199 C 14 X 0.098015 0.023418 -0.061781 -0.023510 0.032019 200 C 14 Y -0.026333 0.135011 0.042584 -0.061317 -0.099400 201 C 14 Z -0.106391 -0.065448 -0.135249 -0.028797 -0.184947 202 C 14 X 0.021435 -0.006623 -0.033770 -0.007095 0.020622 203 C 14 Y -0.028902 0.021758 -0.001765 -0.025515 -0.010943 204 C 14 Z -0.011878 -0.019964 -0.021389 -0.002139 -0.011834 205 C 14 XX -0.001017 0.016922 -0.002272 -0.005788 -0.007483 206 C 14 YY 0.002653 -0.012619 0.003748 0.007590 0.017180 207 C 14 ZZ -0.001635 -0.004303 -0.001476 -0.001802 -0.009697 208 C 14 XY 0.000927 -0.008866 -0.002923 0.011055 0.000331 209 C 14 XZ 0.010018 0.006611 0.002969 0.002397 0.008936 210 C 14 YZ 0.002530 0.004148 0.009358 0.002404 0.022733 211 F 15 S 0.000696 -0.001285 -0.000046 -0.000202 -0.001988 212 F 15 S 0.037812 -0.057278 0.016442 -0.007546 -0.051161 213 F 15 S 0.064781 -0.089011 0.032937 -0.009441 -0.078095 214 F 15 X 0.064739 0.066522 -0.156080 -0.039782 0.080872 215 F 15 Y 0.106611 0.094170 0.039812 0.053325 -0.158218 216 F 15 Z 0.138808 -0.221244 0.026935 -0.056216 -0.210640 217 F 15 X 0.042773 0.042611 -0.099173 -0.024976 0.054116 218 F 15 Y 0.068610 0.059876 0.025183 0.034743 -0.108766 219 F 15 Z 0.088055 -0.142935 0.015803 -0.037564 -0.136861 220 F 15 XX 0.003393 -0.003583 -0.001033 -0.001354 -0.002993 221 F 15 YY 0.001570 -0.004719 0.000961 -0.001128 -0.003232 222 F 15 ZZ -0.004963 0.008301 0.000072 0.002482 0.006225 223 F 15 XY 0.000459 0.000379 0.000982 0.000271 -0.001803 224 F 15 XZ -0.001053 -0.004301 0.005317 0.000809 -0.004231 225 F 15 YZ -0.004020 -0.002370 -0.001399 -0.001253 0.006318 226 F 16 S -0.000545 -0.000576 -0.000932 0.000119 0.002203 227 F 16 S -0.028200 -0.015524 -0.031839 -0.005600 0.058833 228 F 16 S -0.047056 -0.018601 -0.048556 -0.012293 0.091029 229 F 16 X 0.129639 0.010082 -0.056145 -0.094863 -0.138490 230 F 16 Y -0.080926 0.032306 -0.163625 -0.035995 0.263204 231 F 16 Z 0.005973 0.225358 0.034716 0.069830 -0.074787 232 F 16 X 0.083689 0.005998 -0.033846 -0.061038 -0.090114 233 F 16 Y -0.054361 0.020976 -0.107734 -0.023301 0.170638 234 F 16 Z 0.003427 0.148553 0.020725 0.045353 -0.044669 235 F 16 XX -0.000003 -0.001464 -0.003764 -0.002098 0.003329 236 F 16 YY 0.002059 -0.003029 0.005734 0.001034 -0.007126 237 F 16 ZZ -0.002056 0.004493 -0.001969 0.001064 0.003798 238 F 16 XY -0.004928 -0.000288 0.000100 0.001834 0.006171 239 F 16 XZ 0.002292 0.002235 -0.000912 -0.000597 -0.002396 240 F 16 YZ -0.001065 -0.006567 -0.003170 -0.002321 0.005039 241 F 17 S -0.000564 0.000882 -0.000532 -0.000449 -0.001727 242 F 17 S -0.026655 0.023790 -0.020768 -0.017661 -0.053059 243 F 17 S -0.043364 0.030782 -0.033798 -0.028895 -0.084531 244 F 17 X 0.088980 -0.009813 -0.039984 -0.052056 0.093282 245 F 17 Y 0.098448 0.019577 0.157372 0.054675 0.220584 246 F 17 Z 0.017507 -0.189391 -0.046180 0.088595 0.129027 247 F 17 X 0.056881 -0.006495 -0.024663 -0.033872 0.060116 248 F 17 Y 0.066252 0.012676 0.104343 0.036355 0.144754 249 F 17 Z 0.011281 -0.124699 -0.032531 0.057368 0.081099 250 F 17 XX -0.001366 0.002268 -0.001966 -0.002213 -0.004207 251 F 17 YY 0.002807 0.002826 0.005532 0.000826 0.004899 252 F 17 ZZ -0.001441 -0.005094 -0.003567 0.001387 -0.000692 253 F 17 XY 0.002955 -0.000356 -0.000527 -0.000627 0.003110 254 F 17 XZ 0.002358 -0.000784 -0.001265 -0.000551 0.002265 255 F 17 YZ 0.002376 -0.004871 0.001844 0.003259 0.007070 256 F 18 S 0.001029 0.000941 0.000365 0.000185 0.001511 257 F 18 S 0.040896 0.042381 0.034794 0.002260 0.044371 258 F 18 S 0.065518 0.065565 0.060951 0.004486 0.070262 259 F 18 X 0.047874 -0.052569 -0.131120 -0.022916 -0.042801 260 F 18 Y -0.119487 0.039762 -0.028712 -0.075635 -0.197875 261 F 18 Z 0.121867 0.181491 0.109910 -0.036890 0.138939 262 F 18 X 0.032060 -0.033343 -0.084233 -0.013862 -0.027769 263 F 18 Y -0.077042 0.024953 -0.017787 -0.050058 -0.133940 264 F 18 Z 0.078129 0.116823 0.070255 -0.025124 0.089010 265 F 18 XX 0.003390 0.002644 0.000778 -0.000572 0.002877 266 F 18 YY 0.000055 0.003866 0.001938 -0.001529 -0.000458 267 F 18 ZZ -0.003446 -0.006511 -0.002716 0.002101 -0.002419 268 F 18 XY -0.000288 -0.000343 -0.001951 -0.000651 -0.002374 269 F 18 XZ -0.000342 0.003462 0.005033 0.000288 0.002302 270 F 18 YZ 0.004982 0.000831 0.002086 0.001676 0.007518 271 C 19 S -0.000830 -0.001243 0.000459 0.003406 -0.000237 272 C 19 S 0.016163 0.025408 -0.004057 -0.060310 0.000659 273 C 19 S 0.007111 0.009497 -0.011247 -0.036648 0.005995 274 C 19 X 0.002456 0.008615 0.007272 -0.061391 0.005501 275 C 19 Y 0.018607 0.026590 -0.012736 -0.063960 -0.001658 276 C 19 Z 0.002409 0.003469 -0.001599 -0.008990 0.000087 277 C 19 X 0.002100 0.006357 0.001274 -0.019004 0.001067 278 C 19 Y 0.008055 0.012448 0.000543 -0.027930 -0.003355 279 C 19 Z 0.001253 0.002686 0.000066 -0.003372 -0.001044 280 C 19 XX 0.000716 0.000474 -0.000362 -0.000713 -0.000323 281 C 19 YY -0.001862 -0.002202 0.001206 0.004419 0.000443 282 C 19 ZZ 0.001145 0.001727 -0.000845 -0.003706 -0.000120 283 C 19 XY -0.001117 -0.002217 0.000163 0.008022 -0.000357 284 C 19 XZ -0.000189 -0.000363 0.000058 0.000975 -0.000011 285 C 19 YZ -0.000479 -0.000613 0.000287 0.001390 0.000097 286 H 20 S 0.008080 0.016112 0.004459 -0.069631 0.004814 287 H 20 S 0.002006 0.003284 0.001450 -0.018052 0.001121 288 H 20 X -0.000899 -0.001775 -0.000167 0.006240 -0.000464 289 H 20 Y 0.000540 0.000963 0.000005 -0.003290 0.000079 290 H 20 Z 0.000013 -0.000023 -0.000027 -0.000069 0.000020 291 H 21 S 0.015651 0.023027 -0.008214 -0.050704 -0.001260 292 H 21 S 0.003343 0.005193 -0.002725 -0.012227 0.000123 293 H 21 X 0.000354 0.000677 0.000140 -0.002618 0.000125 294 H 21 Y -0.000744 -0.001101 0.000130 0.002687 0.000045 295 H 21 Z 0.001550 0.002239 -0.000848 -0.004890 -0.000064 296 C 22 S -0.000642 0.001614 -0.000243 0.003444 -0.001106 297 C 22 S 0.008424 -0.030825 0.000809 -0.060205 0.014956 298 C 22 S 0.009036 -0.013933 0.003224 -0.040270 0.016890 299 C 22 X -0.002007 -0.011204 0.012911 -0.057583 0.012003 300 C 22 Y -0.010354 0.028894 0.005294 0.066499 -0.020717 301 C 22 Z -0.000520 0.001987 -0.000649 0.006891 -0.001434 302 C 22 X -0.000680 -0.006638 0.000336 -0.019421 0.002697 303 C 22 Y -0.001360 0.012953 0.001805 0.026265 -0.005097 304 C 22 Z 0.000336 0.000410 0.000171 0.002154 0.000702 305 C 22 XX 0.000651 -0.001055 -0.000940 -0.000324 0.000427 306 C 22 YY -0.000749 0.002636 0.000335 0.005515 -0.001754 307 C 22 ZZ 0.000098 -0.001581 0.000606 -0.005191 0.001327 308 C 22 XY 0.000344 -0.002263 0.000217 -0.007483 0.001650 309 C 22 XZ -0.000031 -0.000178 0.000056 -0.000649 0.000126 310 C 22 YZ -0.000021 0.000350 -0.000043 0.001095 -0.000170 311 H 23 S 0.011165 -0.026662 -0.008990 -0.042187 0.014034 312 H 23 S 0.003288 -0.006257 -0.001500 -0.010754 0.004416 313 H 23 X 0.000878 -0.002505 -0.000326 -0.004506 0.001430 314 H 23 Y 0.000707 -0.001673 -0.000311 -0.002333 0.000830 315 H 23 Z -0.000007 0.000012 -0.000037 0.000065 -0.000050 316 H 24 S 0.004559 -0.023556 0.005191 -0.062392 0.015199 317 H 24 S 0.000880 -0.004644 0.001416 -0.015502 0.003784 318 H 24 X -0.000473 0.001547 0.000210 0.002977 -0.000761 319 H 24 Y -0.000134 0.000288 0.000107 0.000417 -0.000236 320 H 24 Z -0.000501 0.002320 -0.000583 0.006187 -0.001498 321 H 25 S 0.004689 -0.023414 0.005817 -0.063577 0.015167 322 H 25 S 0.001359 -0.005125 0.001731 -0.015570 0.004304 323 H 25 X -0.000442 0.001405 0.000214 0.002570 -0.000662 324 H 25 Y -0.000206 0.000542 0.000040 0.001134 -0.000440 325 H 25 Z 0.000500 -0.002383 0.000588 -0.006340 0.001470 326 C 26 S 0.001427 0.000974 0.000184 -0.000011 -0.000647 327 C 26 S -0.021611 -0.024471 0.010084 0.008243 0.004793 328 C 26 S -0.020481 -0.016393 -0.001986 0.005046 0.012596 329 C 26 X 0.012449 0.000553 -0.020902 -0.020711 0.000603 330 C 26 Y -0.001449 0.012106 0.007632 -0.022655 -0.001864 331 C 26 Z 0.019031 0.019978 -0.015248 0.001739 -0.008464 332 C 26 X -0.002163 0.002020 -0.000124 -0.001891 -0.000599 333 C 26 Y -0.001422 0.002127 0.000330 -0.002739 -0.000390 334 C 26 Z 0.002522 0.009597 -0.009768 -0.004711 0.000501 335 C 26 XX -0.000636 -0.001449 0.000432 0.000348 0.000453 336 C 26 YY -0.001406 -0.000958 0.001785 -0.000557 0.000333 337 C 26 ZZ 0.002042 0.002407 -0.002217 0.000209 -0.000786 338 C 26 XY 0.000520 -0.000096 -0.000136 0.000894 0.000061 339 C 26 XZ 0.001281 0.000102 -0.001258 -0.000937 -0.000090 340 C 26 YZ 0.000465 0.001721 0.000197 -0.001603 -0.000279 341 H 27 S -0.020895 -0.022612 0.016623 0.026042 0.004798 342 H 27 S -0.010195 -0.001950 0.006341 0.003649 0.000644 343 H 27 X -0.002062 -0.001961 0.000748 0.001589 0.000440 344 H 27 Y -0.002216 -0.001261 0.001691 0.001001 0.000328 345 H 27 Z -0.000025 -0.000239 -0.000047 0.000115 -0.000084 346 H 28 S -0.020409 -0.012734 0.017777 -0.007891 0.004548 347 H 28 S -0.003959 -0.002735 0.002305 -0.002389 0.001002 348 H 28 X 0.000131 -0.000195 -0.000422 -0.000870 0.000144 349 H 28 Y 0.002112 0.001400 -0.001564 0.000286 -0.000478 350 H 28 Z -0.000462 -0.000615 0.000264 0.000230 0.000004 351 H 29 S -0.007769 -0.020487 -0.006228 -0.005317 0.006155 352 H 29 S -0.000539 -0.004468 -0.003055 -0.004616 0.002837 353 H 29 X 0.001141 0.002228 0.000158 -0.000310 -0.000606 354 H 29 Y -0.000364 -0.000570 -0.000073 -0.000919 0.000249 355 H 29 Z -0.000157 -0.000375 -0.000107 0.000041 0.000130 356 C 30 S 0.000931 -0.001664 -0.001361 0.001486 -0.000105 357 C 30 S -0.013463 0.027382 0.023394 -0.020578 -0.003278 358 C 30 S -0.014235 0.023125 0.017746 -0.016960 0.006098 359 C 30 X 0.010431 0.003490 -0.007684 -0.024441 0.003101 360 C 30 Y 0.004893 0.015281 -0.007350 0.005658 -0.004200 361 C 30 Z -0.015772 0.024699 0.026064 -0.032772 -0.001873 362 C 30 X 0.002420 -0.003025 0.001372 -0.004801 -0.002571 363 C 30 Y -0.003317 0.002808 -0.002712 0.002673 0.001775 364 C 30 Z -0.006904 0.011326 0.008123 -0.007372 -0.003101 365 C 30 XX -0.001174 0.001979 0.000741 -0.001347 -0.000223 366 C 30 YY -0.001184 0.001065 0.002128 -0.002426 -0.000036 367 C 30 ZZ 0.002358 -0.003043 -0.002869 0.003772 0.000259 368 C 30 XY 0.000196 -0.000286 -0.000384 -0.000410 -0.000159 369 C 30 XZ -0.000572 -0.000680 0.000219 0.001624 -0.000036 370 C 30 YZ 0.000043 -0.001747 0.000297 0.000409 0.000349 371 H 31 S -0.015445 0.014410 0.026398 -0.028256 0.000485 372 H 31 S -0.003774 0.003682 0.004577 -0.006942 0.001604 373 H 31 X 0.000462 0.000039 -0.000416 -0.000615 0.000189 374 H 31 Y -0.001418 0.001737 0.002536 -0.002800 -0.000060 375 H 31 Z 0.000388 -0.000750 -0.000741 0.000563 -0.000046 376 H 32 S -0.016559 0.024144 0.020363 -0.001816 -0.005261 377 H 32 S 0.003266 -0.001958 0.007634 -0.004571 -0.005722 378 H 32 X -0.001094 0.002197 0.001743 -0.000908 -0.000643 379 H 32 Y 0.000901 -0.000567 -0.001609 0.000411 0.000211 380 H 32 Z -0.000266 -0.000095 -0.000252 0.000017 0.000178 381 H 33 S -0.001805 0.027208 0.010047 -0.031316 -0.001679 382 H 33 S -0.000446 0.007582 0.001176 -0.009802 0.000686 383 H 33 X 0.000363 -0.002591 -0.001306 0.002139 0.000354 384 H 33 Y 0.000354 -0.001443 -0.000939 0.002311 -0.000147 385 H 33 Z 0.000156 -0.000205 0.000069 -0.000005 -0.000070 386 H 34 S 0.015794 0.023119 -0.008788 -0.049875 -0.000987 387 H 34 S 0.002946 0.004151 -0.002673 -0.012580 0.000880 388 H 34 X 0.000509 0.000846 0.000023 -0.003043 0.000138 389 H 34 Y -0.000365 -0.000533 -0.000066 0.001586 0.000009 390 H 34 Z -0.001638 -0.002335 0.000880 0.005093 0.000085 391 F 35 S 0.001079 -0.000479 0.001440 0.000523 0.000275 392 F 35 S 0.034851 -0.017002 0.053781 0.005916 0.004709 393 F 35 S 0.056326 -0.026177 0.084410 0.005847 0.005975 394 F 35 X -0.177416 0.065548 -0.188313 -0.052212 -0.029680 395 F 35 Y -0.012978 -0.115486 -0.040497 0.026672 0.094111 396 F 35 Z -0.153901 -0.053427 0.194312 -0.054900 0.006956 397 F 35 X -0.114123 0.042392 -0.123778 -0.034410 -0.019166 398 F 35 Y -0.007807 -0.073090 -0.026243 0.017484 0.061465 399 F 35 Z -0.102642 -0.034041 0.125071 -0.036950 0.003977 400 F 35 XX -0.007612 0.002487 -0.006306 -0.002285 -0.001123 401 F 35 YY 0.002132 -0.002183 0.004962 0.000754 0.000787 402 F 35 ZZ 0.005480 -0.000304 0.001344 0.001530 0.000336 403 F 35 XY -0.000907 -0.004061 -0.002053 0.000641 0.002749 404 F 35 XZ -0.003936 -0.002454 0.007741 -0.001254 0.000423 405 F 35 YZ -0.000437 0.001449 0.001151 -0.000387 -0.000577 406 F 36 S -0.002262 0.000047 -0.000280 -0.000035 -0.000217 407 F 36 S -0.078507 0.002533 -0.008746 -0.010212 -0.004307 408 F 36 S -0.121519 0.005874 -0.020754 -0.018658 -0.005594 409 F 36 X 0.012422 -0.042235 0.231194 -0.035785 0.009674 410 F 36 Y -0.039058 -0.196100 -0.023880 0.001699 -0.013457 411 F 36 Z 0.293240 -0.021793 0.012906 0.050176 0.021177 412 F 36 X 0.010201 -0.027557 0.152416 -0.022968 0.006962 413 F 36 Y -0.025012 -0.128793 -0.015656 0.000785 -0.011629 414 F 36 Z 0.189768 -0.013726 0.005582 0.032108 0.013426 415 F 36 XX -0.005582 0.000043 0.000012 -0.000904 -0.000306 416 F 36 YY -0.005759 0.000916 0.000351 -0.000972 -0.000523 417 F 36 ZZ 0.011341 -0.000959 -0.000363 0.001875 0.000829 418 F 36 XY -0.000082 -0.000370 -0.000849 0.000014 -0.000440 419 F 36 XZ 0.001120 -0.001554 0.007716 -0.000915 0.000370 420 F 36 YZ -0.002193 -0.006516 -0.000600 0.000008 0.000056 421 C 37 S 0.000125 0.000919 -0.000535 0.003584 -0.000367 422 C 37 S -0.002636 -0.010924 0.002094 -0.070954 0.008364 423 C 37 S 0.016442 0.003459 0.009356 -0.063829 -0.001788 424 C 37 X -0.004016 -0.025398 -0.003033 -0.036954 0.011712 425 C 37 Y -0.055960 -0.050251 0.057662 0.085908 0.008463 426 C 37 Z -0.006178 -0.008863 0.005509 0.019794 0.000932 427 C 37 X -0.014850 -0.010940 -0.008014 0.001680 0.012037 428 C 37 Y -0.006775 -0.012630 -0.000706 0.026173 0.005575 429 C 37 Z -0.001432 -0.003577 0.000084 0.004861 -0.001117 430 C 37 XX 0.001379 0.002951 0.000065 -0.005266 -0.000588 431 C 37 YY -0.000427 -0.002279 -0.000177 0.003718 0.000270 432 C 37 ZZ -0.000952 -0.000672 0.000112 0.001548 0.000317 433 C 37 XY 0.004190 0.005014 -0.003153 -0.005927 -0.000930 434 C 37 XZ 0.000540 0.001598 -0.000227 -0.002310 -0.000101 435 C 37 YZ 0.000488 0.000609 -0.000489 -0.000949 -0.000016 436 S 38 S -0.000351 0.000078 -0.000046 -0.000081 0.000219 437 S 38 S -0.002269 0.000580 -0.000631 -0.000558 0.001460 438 S 38 S 0.039365 0.012204 -0.065230 0.000279 -0.006039 439 S 38 S 0.065397 0.005843 -0.064121 0.000965 -0.018254 440 S 38 X 0.000012 0.000001 -0.000224 -0.003546 0.000776 441 S 38 Y -0.000569 0.000315 0.000917 -0.002421 0.000293 442 S 38 Z -0.000044 -0.000100 0.000128 -0.000271 0.000098 443 S 38 X -0.008346 -0.002527 -0.002659 0.090426 -0.009271 444 S 38 Y 0.007168 -0.004896 -0.030604 0.072835 -0.010037 445 S 38 Z 0.000612 0.000916 -0.004857 0.006618 0.002882 446 S 38 X 0.000677 -0.004185 0.010557 0.034014 -0.013218 447 S 38 Y -0.002445 0.000496 -0.015338 0.023427 -0.002472 448 S 38 Z 0.000711 0.004315 -0.001306 0.003680 0.001689 449 S 38 XX 0.000453 -0.002751 -0.004475 0.029099 -0.004511 450 S 38 YY -0.000348 0.002907 0.006597 -0.028857 0.004019 451 S 38 ZZ -0.000106 -0.000156 -0.002123 -0.000242 0.000492 452 S 38 XY 0.001399 -0.001443 -0.000819 -0.006098 0.000861 453 S 38 XZ 0.000183 -0.000352 -0.000113 0.001094 -0.000161 454 S 38 YZ 0.000360 -0.000322 0.001468 -0.001434 -0.000504 455 S 38 XX -0.000081 -0.000570 -0.000966 0.005187 -0.000521 456 S 38 YY -0.000043 0.000588 0.001233 -0.005205 0.000568 457 S 38 ZZ 0.000124 -0.000018 -0.000267 0.000018 -0.000047 458 S 38 XY 0.000209 -0.000401 -0.000210 -0.001088 0.000185 459 S 38 XZ 0.000022 -0.000051 -0.000040 0.000230 -0.000018 460 S 38 YZ 0.000022 0.000078 0.000245 -0.000228 -0.000030 461 H 39 S 0.005267 -0.015927 -0.009604 -0.085486 0.011989 462 H 39 S 0.004937 -0.001976 -0.001050 -0.024218 0.000371 463 H 39 X -0.000225 0.001488 0.001138 0.008280 -0.001333 464 H 39 Y -0.001242 -0.001713 0.001251 0.000392 0.000325 465 H 39 Z 0.000034 -0.000303 -0.000044 0.000294 0.000079 61 62 63 64 65 -0.7534 -0.7524 -0.7343 -0.7264 -0.7074 A A A A A 1 C 1 S 0.000225 0.002386 0.000474 0.002701 -0.001301 2 C 1 S 0.013455 -0.074253 -0.024052 -0.145706 0.037408 3 C 1 S 0.011015 -0.078645 -0.034105 -0.162034 0.047424 4 C 1 X -0.027062 -0.056828 -0.052552 0.013380 0.013064 5 C 1 Y -0.018924 -0.013814 -0.037515 -0.004083 -0.023728 6 C 1 Z 0.000437 0.004786 0.001093 -0.003393 -0.003278 7 C 1 X -0.012654 -0.024119 -0.032716 0.000339 -0.001096 8 C 1 Y -0.013939 -0.026600 -0.024244 -0.020429 -0.011492 9 C 1 Z 0.000762 0.001966 -0.000358 -0.002586 0.000868 10 C 1 XX 0.001197 -0.000330 0.002069 0.000090 0.001097 11 C 1 YY -0.001722 -0.001740 -0.003473 -0.003704 -0.000090 12 C 1 ZZ 0.000525 0.002071 0.001404 0.003613 -0.001006 13 C 1 XY 0.000511 -0.003978 0.000417 0.005749 0.002204 14 C 1 XZ 0.000085 0.000105 0.000230 0.001329 -0.000152 15 C 1 YZ -0.000175 0.000306 -0.000376 -0.000967 -0.000257 16 C 2 S -0.000703 -0.001479 -0.002887 -0.006462 -0.000401 17 C 2 S 0.014453 0.043701 0.046615 0.108409 -0.017657 18 C 2 S -0.003519 0.035024 0.050429 0.120018 0.000786 19 C 2 X 0.010535 -0.020077 -0.021134 -0.192519 0.005366 20 C 2 Y -0.047061 -0.006195 -0.086535 -0.053994 -0.048800 21 C 2 Z -0.006531 0.002075 -0.006025 0.001302 -0.004636 22 C 2 X -0.006807 -0.006175 -0.003479 -0.029529 -0.005184 23 C 2 Y -0.026453 0.007366 -0.016858 -0.008075 0.008595 24 C 2 Z -0.002803 -0.002692 0.000945 0.002061 -0.001411 25 C 2 XX 0.003835 -0.004091 0.003280 -0.006142 0.002480 26 C 2 YY -0.003771 0.005568 -0.003564 0.006591 -0.002754 27 C 2 ZZ -0.000063 -0.001476 0.000284 -0.000449 0.000274 28 C 2 XY -0.000704 0.005420 -0.000114 0.004515 -0.001150 29 C 2 XZ 0.000036 0.000632 -0.000133 0.000928 0.000056 30 C 2 YZ -0.001190 0.000552 -0.000499 -0.000514 -0.000700 31 C 3 S 0.003171 0.002979 0.000423 0.000627 0.000601 32 C 3 S -0.030083 -0.058651 -0.043030 -0.039267 -0.006325 33 C 3 S -0.097269 -0.092595 -0.017022 0.014290 -0.004914 34 C 3 X -0.024506 0.127727 -0.047707 -0.074715 -0.048927 35 C 3 Y 0.017036 -0.054642 0.020266 -0.106337 0.048081 36 C 3 Z -0.015425 0.007328 -0.009204 -0.026319 -0.006783 37 C 3 X 0.055294 0.036663 -0.029088 -0.096521 -0.027828 38 C 3 Y -0.034782 -0.036069 0.021864 -0.047169 0.048950 39 C 3 Z -0.000986 0.001677 -0.003318 -0.014028 0.001142 40 C 3 XX -0.001333 -0.000826 -0.001498 -0.010245 0.003527 41 C 3 YY -0.000288 -0.000920 0.002053 0.009843 -0.003773 42 C 3 ZZ 0.001621 0.001746 -0.000555 0.000402 0.000246 43 C 3 XY 0.000678 0.014763 -0.004617 -0.003693 0.000795 44 C 3 XZ 0.001234 0.001368 -0.000918 -0.001773 0.000514 45 C 3 YZ -0.001158 0.001101 -0.001090 -0.001919 -0.000541 46 C 4 S -0.000099 -0.004667 -0.000448 -0.000072 -0.000063 47 C 4 S 0.021895 0.104352 0.023280 -0.040850 0.010438 48 C 4 S 0.009203 0.140523 0.029122 -0.009663 -0.001287 49 C 4 X 0.028152 0.027299 0.068312 0.106508 -0.007249 50 C 4 Y 0.038664 -0.030479 0.038429 0.057456 0.039551 51 C 4 Z -0.013368 -0.002755 -0.011103 -0.020084 -0.010109 52 C 4 X 0.008442 0.022728 0.041493 0.053942 -0.004986 53 C 4 Y 0.037206 -0.030150 0.023194 0.012738 0.024986 54 C 4 Z -0.004069 -0.015068 -0.007593 -0.022275 -0.003291 55 C 4 XX -0.000591 0.000238 0.000710 -0.001507 -0.000521 56 C 4 YY -0.000843 0.000688 -0.002344 0.000373 -0.000909 57 C 4 ZZ 0.001434 -0.000926 0.001633 0.001134 0.001431 58 C 4 XY -0.001977 -0.003330 -0.002257 -0.010348 -0.001157 59 C 4 XZ -0.000430 -0.001178 -0.002783 -0.002798 0.000673 60 C 4 YZ -0.002306 0.001475 -0.001731 -0.002712 -0.002055 61 S 5 S 0.000045 0.000057 -0.000168 -0.000811 -0.000065 62 S 5 S 0.000341 0.000201 -0.000958 -0.004495 -0.000475 63 S 5 S -0.011091 -0.027121 0.010725 0.144660 -0.006450 64 S 5 S -0.004678 -0.035622 0.025146 0.195810 0.000048 65 S 5 X -0.000363 0.001256 -0.000498 -0.001644 -0.000414 66 S 5 Y -0.000686 -0.003599 -0.002524 -0.002772 0.000524 67 S 5 Z 0.000103 -0.000523 -0.000125 -0.000048 0.000253 68 S 5 X -0.001628 -0.027985 0.009548 0.055283 0.005300 69 S 5 Y 0.022188 0.083962 0.070338 0.075478 -0.014541 70 S 5 Z -0.000843 0.015244 0.000090 0.000176 -0.006432 71 S 5 X -0.003643 -0.011301 0.004202 0.031318 -0.000681 72 S 5 Y 0.006868 0.030451 0.022113 0.026790 -0.007753 73 S 5 Z 0.000263 0.004412 -0.000724 -0.001812 -0.003495 74 S 5 XX -0.000227 0.009766 0.000452 -0.003795 -0.003120 75 S 5 YY 0.000034 -0.010137 -0.003154 -0.003767 0.003787 76 S 5 ZZ 0.000193 0.000371 0.002702 0.007562 -0.000667 77 S 5 XY -0.005064 -0.022529 -0.015090 -0.018472 0.002969 78 S 5 XZ -0.000604 -0.005355 -0.001556 0.000216 0.001551 79 S 5 YZ 0.000973 0.003857 0.002195 0.002293 -0.000489 80 S 5 XX -0.000100 0.001771 -0.000012 -0.000492 -0.000643 81 S 5 YY 0.000069 -0.001863 -0.000450 -0.000835 0.000725 82 S 5 ZZ 0.000030 0.000092 0.000462 0.001327 -0.000081 83 S 5 XY -0.000921 -0.004157 -0.002852 -0.003301 0.000542 84 S 5 XZ 0.000020 -0.000951 -0.000192 -0.000011 0.000301 85 S 5 YZ 0.000095 0.000679 0.000343 0.000410 -0.000123 86 H 6 S 0.028231 0.042222 0.087640 0.199318 0.016319 87 H 6 S -0.005996 0.016868 0.021766 0.059481 0.020409 88 H 6 X 0.002516 0.001320 0.006899 0.010488 0.001155 89 H 6 Y 0.001186 0.003293 0.005162 0.014580 0.000680 90 H 6 Z -0.000036 0.000094 0.000159 0.000567 -0.000422 91 C 7 S 0.003461 -0.002596 0.000384 0.001330 0.000824 92 C 7 S -0.042530 0.058825 -0.042660 -0.015005 -0.002995 93 C 7 S -0.101993 0.078455 0.010751 -0.061159 -0.017939 94 C 7 X -0.029925 -0.108842 -0.126189 0.044901 -0.019068 95 C 7 Y 0.006301 -0.043624 0.036614 -0.087970 -0.014049 96 C 7 Z 0.001395 0.020406 0.035753 -0.014947 0.004708 97 C 7 X 0.029914 -0.052592 -0.069413 0.041682 0.006031 98 C 7 Y 0.024865 -0.031873 -0.004638 -0.036518 -0.003752 99 C 7 Z -0.008105 0.011333 0.021106 -0.008973 0.000719 100 C 7 XX -0.002008 -0.001766 -0.009848 0.005115 0.001049 101 C 7 YY 0.000383 0.002946 0.009186 -0.005681 -0.001427 102 C 7 ZZ 0.001625 -0.001180 0.000662 0.000566 0.000379 103 C 7 XY -0.001267 0.006298 0.007284 0.000628 -0.002173 104 C 7 XZ 0.002980 0.000830 0.003333 -0.000457 0.000228 105 C 7 YZ 0.000432 -0.001326 -0.002689 0.001104 0.000071 106 C 8 S 0.001065 -0.002159 0.002288 -0.001493 -0.000891 107 C 8 S -0.009762 0.079847 -0.101688 0.109170 0.024812 108 C 8 S -0.021286 0.079631 -0.111778 0.104095 0.027639 109 C 8 X -0.018402 0.049873 -0.002398 -0.050549 0.013767 110 C 8 Y 0.023273 -0.016958 0.030034 0.045725 0.009440 111 C 8 Z 0.003282 0.004034 0.006344 0.006099 0.005399 112 C 8 X 0.000387 0.015613 0.024767 -0.047243 -0.007018 113 C 8 Y 0.023864 -0.023912 0.015381 0.028588 0.008196 114 C 8 Z 0.003777 0.000075 0.004333 0.003420 0.001970 115 C 8 XX 0.001486 0.000119 0.002485 0.002805 0.000270 116 C 8 YY -0.002023 0.001438 -0.005547 0.001104 0.000277 117 C 8 ZZ 0.000537 -0.001557 0.003062 -0.003909 -0.000547 118 C 8 XY -0.001255 -0.003423 -0.005325 0.002560 -0.000548 119 C 8 XZ -0.000007 -0.000471 -0.001105 0.001144 -0.000023 120 C 8 YZ -0.000506 -0.000249 -0.001470 0.000272 -0.000237 121 C 9 S 0.000494 0.002550 0.002231 -0.000413 0.000130 122 C 9 S 0.011367 -0.076104 -0.040676 0.051797 0.002260 123 C 9 S -0.008067 -0.080703 -0.057943 0.039485 -0.006302 124 C 9 X 0.048874 -0.030792 0.136193 -0.044548 -0.007375 125 C 9 Y -0.038520 -0.082434 -0.061179 -0.008569 -0.040559 126 C 9 Z 0.009652 0.010916 0.012242 0.003978 0.012629 127 C 9 X 0.027321 -0.023164 0.083467 -0.031427 -0.000742 128 C 9 Y -0.031165 -0.032647 -0.025408 -0.006623 -0.024418 129 C 9 Z -0.002859 0.003961 -0.001813 0.004378 0.005251 130 C 9 XX -0.002063 -0.003254 -0.000032 -0.000285 -0.001739 131 C 9 YY 0.000890 0.001305 -0.001418 -0.000860 0.000465 132 C 9 ZZ 0.001172 0.001949 0.001450 0.001145 0.001274 133 C 9 XY 0.003227 -0.004152 0.008413 -0.007166 -0.000158 134 C 9 XZ 0.002671 -0.000965 0.005023 -0.000710 0.000347 135 C 9 YZ -0.002932 -0.004063 -0.003448 0.000123 -0.002356 136 C 10 S -0.000416 0.001071 -0.002247 -0.002249 -0.000688 137 C 10 S 0.027474 0.029848 0.057871 0.033861 -0.022444 138 C 10 S 0.085463 -0.016336 0.037808 0.037457 0.009025 139 C 10 X -0.023347 0.103076 0.069222 0.004849 0.013057 140 C 10 Y -0.014749 0.070884 -0.056105 -0.047529 0.042275 141 C 10 Z -0.022601 -0.019916 -0.007443 -0.010001 -0.005074 142 C 10 X 0.024898 0.001380 -0.004755 0.025424 0.003467 143 C 10 Y 0.042279 0.024496 -0.053883 0.008296 0.021437 144 C 10 Z -0.022766 -0.004335 -0.002748 -0.004474 -0.008523 145 C 10 XX -0.000688 -0.003757 -0.011587 0.002532 0.001840 146 C 10 YY 0.002551 0.003254 0.013508 -0.001289 -0.003096 147 C 10 ZZ -0.001864 0.000502 -0.001920 -0.001244 0.001256 148 C 10 XY -0.001343 0.013380 0.003072 -0.002057 -0.001241 149 C 10 XZ 0.003422 -0.000034 0.001712 -0.000280 -0.000687 150 C 10 YZ -0.000584 -0.000651 0.000986 0.001093 0.000843 151 C 11 S -0.001694 0.001512 -0.001513 0.001753 -0.000036 152 C 11 S 0.029216 -0.056188 0.050485 0.013814 -0.000027 153 C 11 S 0.117598 -0.035653 0.017019 -0.026923 -0.004275 154 C 11 X -0.005449 -0.160291 0.034375 0.003811 0.041363 155 C 11 Y 0.013088 -0.006461 0.077733 0.039602 -0.049703 156 C 11 Z -0.033441 -0.008364 -0.001829 -0.012961 -0.006275 157 C 11 X 0.065647 -0.015287 0.000925 -0.045479 -0.024903 158 C 11 Y -0.024394 0.007597 0.034917 0.061398 -0.021953 159 C 11 Z -0.019384 0.001401 -0.003174 -0.006120 -0.009308 160 C 11 XX -0.001264 0.005338 -0.006388 -0.009387 0.002391 161 C 11 YY 0.002192 -0.005743 0.007491 0.009407 -0.003235 162 C 11 ZZ -0.000928 0.000405 -0.001103 -0.000020 0.000844 163 C 11 XY -0.001281 0.015274 -0.000332 -0.004362 0.001508 164 C 11 XZ 0.005474 -0.000146 -0.000666 -0.001507 -0.000182 165 C 11 YZ 0.001931 -0.000426 -0.000844 -0.000138 -0.001061 166 C 12 S -0.000120 -0.000202 0.001051 0.000488 0.001782 167 C 12 S -0.001125 -0.035970 -0.030490 0.002597 -0.021960 168 C 12 S -0.004963 -0.050956 -0.052209 0.002406 -0.070611 169 C 12 X 0.023390 -0.069113 -0.082408 -0.001891 0.033944 170 C 12 Y 0.047268 0.051438 0.011280 0.002077 0.013855 171 C 12 Z -0.124193 0.011658 0.013221 -0.006264 0.029724 172 C 12 X -0.000974 -0.039695 -0.045911 0.001082 0.017133 173 C 12 Y -0.004003 0.016703 0.027843 0.004756 0.056107 174 C 12 Z -0.000831 0.014408 0.004933 -0.006419 0.017510 175 C 12 XX 0.005617 0.003278 0.006168 0.001425 -0.005974 176 C 12 YY 0.010789 0.004060 0.001365 0.000093 0.010794 177 C 12 ZZ -0.016406 -0.007337 -0.007534 -0.001518 -0.004821 178 C 12 XY 0.000037 -0.003244 -0.011489 -0.006932 0.012718 179 C 12 XZ 0.003554 -0.003949 -0.005218 0.000908 -0.005624 180 C 12 YZ -0.017803 0.005220 0.011288 0.000511 0.015808 181 C 13 S -0.004564 0.000561 -0.000559 -0.000664 0.001131 182 C 13 S -0.013248 0.003943 -0.002002 -0.002184 0.064102 183 C 13 S 0.016989 -0.008514 0.020097 0.012025 0.106226 184 C 13 X -0.125516 -0.016804 0.032678 0.002594 0.005002 185 C 13 Y -0.019457 -0.005220 0.008846 -0.019330 0.004872 186 C 13 Z 0.165004 0.010888 -0.034802 -0.004012 -0.000437 187 C 13 X 0.010183 -0.005013 0.008112 0.003908 0.079860 188 C 13 Y 0.001410 0.003111 0.001156 -0.011161 0.004439 189 C 13 Z 0.003841 0.000470 0.006822 0.005110 0.047316 190 C 13 XX 0.028426 0.005856 -0.010741 -0.001313 -0.007085 191 C 13 YY 0.002895 -0.004370 0.002871 0.001372 -0.008999 192 C 13 ZZ -0.031320 -0.001486 0.007871 -0.000059 0.016084 193 C 13 XY 0.003455 -0.009141 -0.003219 0.005716 0.003522 194 C 13 XZ -0.019690 -0.000591 -0.000532 -0.000317 -0.036146 195 C 13 YZ 0.003460 0.002354 -0.000472 -0.000439 -0.006308 196 C 14 S -0.001358 -0.001161 0.001080 0.000457 0.002037 197 C 14 S -0.007815 0.045685 -0.015098 -0.021624 -0.024104 198 C 14 S 0.008303 0.085528 -0.028557 -0.036659 -0.088788 199 C 14 X 0.031236 0.127122 -0.058029 -0.035591 0.027343 200 C 14 Y -0.039714 0.085923 -0.008959 -0.009051 -0.018775 201 C 14 Z -0.168171 0.017647 0.017454 0.001235 0.022709 202 C 14 X 0.004796 0.069197 -0.023462 -0.019596 0.011950 203 C 14 Y -0.000593 0.041544 -0.021708 -0.027100 -0.056792 204 C 14 Z -0.006485 -0.005188 -0.003059 -0.001106 0.006502 205 C 14 XX 0.004538 -0.000948 0.001043 0.003316 -0.000485 206 C 14 YY 0.006984 -0.010834 0.004574 0.006401 0.012282 207 C 14 ZZ -0.011522 0.011781 -0.005617 -0.009717 -0.011797 208 C 14 XY -0.000962 -0.011868 0.010963 0.004455 -0.011428 209 C 14 XZ 0.002282 -0.000216 -0.000877 -0.002287 -0.005103 210 C 14 YZ 0.027604 0.002449 -0.007522 -0.005221 -0.011039 211 F 15 S 0.000715 0.000373 0.000305 -0.000064 -0.000287 212 F 15 S 0.032642 -0.001645 -0.001782 0.002030 -0.003186 213 F 15 S 0.053770 -0.006219 -0.004826 0.005971 -0.002846 214 F 15 X -0.081543 -0.104785 -0.158863 -0.010053 0.043795 215 F 15 Y 0.020992 0.076099 0.085701 0.022102 0.130375 216 F 15 Z 0.155804 -0.037338 -0.058299 0.003665 -0.004160 217 F 15 X -0.054462 -0.068896 -0.104918 -0.006296 0.028249 218 F 15 Y 0.013070 0.049551 0.057212 0.015350 0.085025 219 F 15 Z 0.099040 -0.024093 -0.038285 0.001762 -0.003428 220 F 15 XX 0.002164 -0.001372 -0.001925 -0.000003 0.000673 221 F 15 YY 0.002669 -0.000298 -0.000483 -0.000032 -0.000353 222 F 15 ZZ -0.004833 0.001670 0.002408 0.000036 -0.000320 223 F 15 XY 0.000947 0.000880 0.000819 0.000009 0.001112 224 F 15 XZ 0.003480 0.002730 0.003901 0.000264 -0.001300 225 F 15 YZ -0.001644 -0.002088 -0.001760 -0.000535 -0.002762 226 F 16 S -0.001105 -0.000017 0.000761 0.000341 0.000841 227 F 16 S -0.025847 -0.006755 -0.000847 0.001614 0.006012 228 F 16 S -0.039174 -0.011375 -0.008881 -0.001998 0.002799 229 F 16 X 0.106013 -0.075344 -0.166764 -0.060293 0.191568 230 F 16 Y -0.144335 -0.004002 0.013637 -0.024143 0.190791 231 F 16 Z -0.032426 0.110698 0.105742 0.010997 0.126089 232 F 16 X 0.070756 -0.049176 -0.110411 -0.041105 0.130397 233 F 16 Y -0.094319 -0.003094 0.009078 -0.015081 0.126927 234 F 16 Z -0.025335 0.073283 0.069690 0.007195 0.083424 235 F 16 XX -0.000749 -0.001578 -0.001893 -0.000930 0.002875 236 F 16 YY 0.004136 -0.000217 -0.000252 0.000795 -0.006170 237 F 16 ZZ -0.003387 0.001795 0.002145 0.000134 0.003295 238 F 16 XY -0.003935 0.001805 0.004062 0.000807 -0.002484 239 F 16 XZ 0.000973 -0.000316 -0.001542 -0.000575 0.002806 240 F 16 YZ -0.000920 -0.002820 -0.001999 -0.000478 0.000018 241 F 17 S -0.001092 0.000038 0.000668 0.000575 0.000781 242 F 17 S -0.036074 0.012369 0.002831 -0.001503 0.005173 243 F 17 S -0.059672 0.021740 -0.001167 -0.008365 0.002127 244 F 17 X 0.085570 0.194441 -0.132122 -0.046614 0.174953 245 F 17 Y 0.203880 0.008945 -0.051350 -0.064612 -0.171953 246 F 17 Z 0.043591 -0.149945 0.050604 0.061978 0.100395 247 F 17 X 0.057090 0.126916 -0.088095 -0.030190 0.119121 248 F 17 Y 0.134213 0.004854 -0.034244 -0.043058 -0.113818 249 F 17 Z 0.023744 -0.098587 0.033565 0.041036 0.067094 250 F 17 XX -0.002720 0.002284 -0.000332 0.000193 0.001444 251 F 17 YY 0.005038 0.001137 -0.001355 -0.001832 -0.004692 252 F 17 ZZ -0.002318 -0.003421 0.001688 0.001639 0.003248 253 F 17 XY 0.002825 0.004118 -0.002868 -0.001375 0.002604 254 F 17 XZ 0.001621 0.003312 -0.002254 -0.000786 0.002876 255 F 17 YZ 0.004736 -0.003187 -0.000029 -0.000116 -0.001316 256 F 18 S 0.001052 -0.000464 0.000060 0.000188 -0.000288 257 F 18 S 0.041161 0.002609 -0.004824 -0.000242 -0.002781 258 F 18 S 0.067261 0.007872 -0.008842 -0.001632 -0.001557 259 F 18 X -0.109311 0.169156 -0.087377 -0.085183 0.036517 260 F 18 Y -0.114977 0.119774 -0.046636 -0.068167 -0.116836 261 F 18 Z 0.161417 0.104892 -0.076618 -0.043546 -0.028572 262 F 18 X -0.073578 0.110664 -0.057500 -0.056868 0.022754 263 F 18 Y -0.075103 0.078353 -0.031088 -0.044703 -0.076035 264 F 18 Z 0.103046 0.068752 -0.050289 -0.028593 -0.019953 265 F 18 XX 0.002521 0.002515 -0.001633 -0.000804 0.000817 266 F 18 YY 0.001098 0.002123 -0.001018 -0.000756 -0.001400 267 F 18 ZZ -0.003619 -0.004638 0.002651 0.001560 0.000583 268 F 18 XY -0.002546 0.002586 -0.000946 -0.001300 -0.000846 269 F 18 XZ 0.004049 -0.003874 0.001710 0.001840 -0.001181 270 F 18 YZ 0.005290 -0.002108 0.000162 0.001115 0.002219 271 C 19 S 0.000592 0.002222 -0.000536 0.002028 0.000652 272 C 19 S -0.000997 -0.033864 0.018349 -0.031673 -0.009501 273 C 19 S -0.011533 -0.022664 0.004485 -0.024311 -0.008786 274 C 19 X -0.008203 -0.018175 0.027293 -0.074175 -0.013411 275 C 19 Y 0.004097 -0.064897 0.042080 -0.052777 -0.026579 276 C 19 Z 0.000474 -0.006940 0.006789 -0.007943 -0.002019 277 C 19 X 0.000147 -0.010123 0.007237 -0.019029 -0.004186 278 C 19 Y 0.004874 -0.024015 0.018637 -0.021549 -0.011279 279 C 19 Z 0.000583 -0.002846 0.002351 -0.002653 -0.000559 280 C 19 XX 0.000444 -0.000736 0.001883 -0.001265 -0.000511 281 C 19 YY -0.000686 0.004775 -0.003817 0.003710 0.002030 282 C 19 ZZ 0.000242 -0.004039 0.001935 -0.002444 -0.001518 283 C 19 XY 0.000389 0.004851 -0.003604 0.007427 0.002074 284 C 19 XZ 0.000029 0.000611 -0.000500 0.000840 0.000153 285 C 19 YZ -0.000121 0.001304 -0.001007 0.001116 0.000499 286 H 20 S -0.006984 -0.023344 0.027160 -0.068562 -0.011913 287 H 20 S -0.001917 -0.005830 0.010433 -0.022484 -0.003896 288 H 20 X 0.000607 0.002392 -0.001925 0.005199 0.000851 289 H 20 Y -0.000218 -0.002003 0.001301 -0.002883 -0.000924 290 H 20 Z 0.000014 -0.000073 0.000089 -0.000049 -0.000033 291 H 21 S 0.002082 -0.044166 0.023646 -0.030036 -0.015957 292 H 21 S 0.000187 -0.011234 0.006983 -0.009409 -0.003763 293 H 21 X -0.000238 -0.001211 0.001042 -0.002580 -0.000577 294 H 21 Y 0.000005 0.001457 -0.000961 0.001454 0.000515 295 H 21 Z 0.000212 -0.004131 0.002392 -0.002914 -0.001381 296 C 22 S 0.000821 -0.002200 -0.000083 -0.001866 0.001129 297 C 22 S -0.006581 0.035880 0.003308 0.033954 -0.016389 298 C 22 S -0.011610 0.023007 0.001275 0.022753 -0.016590 299 C 22 X -0.016859 0.008866 -0.021692 0.035920 -0.023074 300 C 22 Y 0.005313 -0.066656 -0.021591 -0.084558 0.041368 301 C 22 Z 0.000942 -0.002849 -0.000209 -0.007807 0.002475 302 C 22 X -0.003102 0.007714 -0.004352 0.015376 -0.008227 303 C 22 Y 0.001804 -0.024227 -0.004352 -0.028137 0.014321 304 C 22 Z 0.000277 -0.001308 0.000464 -0.002516 0.000353 305 C 22 XX 0.000398 0.002750 0.001683 0.001616 -0.000943 306 C 22 YY 0.000776 -0.005108 -0.000771 -0.005413 0.003539 307 C 22 ZZ -0.001173 0.002359 -0.000912 0.003797 -0.002596 308 C 22 XY -0.001124 0.004229 0.000499 0.007361 -0.002938 309 C 22 XZ -0.000150 0.000316 -0.000084 0.000471 -0.000275 310 C 22 YZ 0.000177 -0.000599 0.000055 -0.000986 0.000413 311 H 23 S 0.001852 0.053633 0.026211 0.052492 -0.021383 312 H 23 S 0.001913 0.013688 0.008613 0.017702 -0.007342 313 H 23 X -0.000262 0.004349 0.001310 0.004278 -0.002329 314 H 23 Y 0.000181 0.002646 0.001316 0.002194 -0.000870 315 H 23 Z 0.000017 0.000057 0.000027 -0.000069 0.000028 316 H 24 S -0.011641 0.030347 -0.005764 0.041547 -0.024060 317 H 24 S -0.003388 0.007713 -0.001267 0.013082 -0.007203 318 H 24 X 0.000240 -0.002243 -0.000536 -0.002251 0.001031 319 H 24 Y -0.000065 -0.001072 -0.000520 -0.001156 0.000614 320 H 24 Z 0.001089 -0.002858 0.000442 -0.004204 0.002154 321 H 25 S -0.011507 0.028632 -0.005841 0.044010 -0.022996 322 H 25 S -0.002654 0.007598 -0.000653 0.013742 -0.006660 323 H 25 X 0.000129 -0.001989 -0.000570 -0.002031 0.000799 324 H 25 Y 0.000071 -0.001343 -0.000493 -0.001672 0.000878 325 H 25 Z -0.001083 0.002846 -0.000474 0.004269 -0.002065 326 C 26 S 0.000632 -0.001285 -0.000796 0.000733 0.000062 327 C 26 S -0.004124 0.030110 0.008897 -0.016412 0.001465 328 C 26 S -0.008864 0.025595 0.008579 -0.012758 -0.001864 329 C 26 X 0.013664 -0.007989 0.049785 -0.012544 -0.004922 330 C 26 Y -0.011650 -0.030245 -0.026884 -0.001990 -0.016305 331 C 26 Z 0.006416 -0.038852 -0.022081 0.030760 0.000155 332 C 26 X 0.003572 0.002393 0.005311 -0.001082 0.000158 333 C 26 Y -0.000042 -0.002394 -0.008000 -0.003910 -0.000897 334 C 26 Z -0.000563 -0.014012 -0.004609 0.012072 0.001870 335 C 26 XX 0.000677 0.002759 0.003122 -0.001443 0.000359 336 C 26 YY -0.001168 0.001209 -0.000690 -0.001596 -0.000639 337 C 26 ZZ 0.000491 -0.003968 -0.002432 0.003038 0.000280 338 C 26 XY 0.000071 0.000195 -0.000270 0.000549 0.000250 339 C 26 XZ 0.000851 -0.000650 0.002333 -0.000285 -0.000224 340 C 26 YZ -0.000253 -0.003142 -0.001843 0.001073 -0.000648 341 H 27 S -0.004355 0.041418 -0.003567 -0.008041 0.011770 342 H 27 S 0.000084 0.015193 -0.005843 -0.003581 0.009791 343 H 27 X 0.000183 0.003622 0.001140 -0.001339 0.001276 344 H 27 Y -0.000825 0.002237 -0.001373 -0.000945 0.000675 345 H 27 Z 0.000046 0.000273 -0.000421 0.000128 0.000203 346 H 28 S -0.014102 0.012778 -0.011258 -0.020030 -0.009675 347 H 28 S -0.003812 0.001493 0.002885 -0.005135 -0.002461 348 H 28 X 0.000071 -0.000277 0.001352 -0.000759 -0.000362 349 H 28 Y 0.000970 -0.001787 0.000335 0.001741 0.000357 350 H 28 Z -0.000302 0.000266 -0.000355 -0.000392 -0.000307 351 H 29 S 0.007798 0.029638 0.052508 -0.022979 0.001868 352 H 29 S 0.001305 0.005454 0.017744 -0.004074 0.000554 353 H 29 X -0.000366 -0.003328 -0.003756 0.002033 -0.000464 354 H 29 Y -0.000262 0.000212 0.001520 -0.001092 -0.000523 355 H 29 Z 0.000006 0.000373 0.000468 0.000378 -0.000101 356 C 30 S 0.000149 0.001742 0.000494 -0.002023 -0.000034 357 C 30 S -0.004019 -0.039056 -0.012587 0.011646 -0.000344 358 C 30 S -0.007597 -0.029177 -0.009325 0.025497 -0.001197 359 C 30 X 0.012273 0.009006 0.028580 0.037427 -0.003845 360 C 30 Y 0.010076 -0.021482 0.014348 0.021814 0.014981 361 C 30 Z -0.011295 -0.059099 -0.019980 0.022580 -0.006015 362 C 30 X 0.004597 -0.004685 0.003075 0.007095 0.000199 363 C 30 Y -0.002797 -0.001887 0.005785 0.003334 0.002592 364 C 30 Z -0.005874 -0.023087 -0.006419 0.002446 -0.002852 365 C 30 XX -0.000300 -0.003721 -0.000077 0.001674 0.000040 366 C 30 YY -0.001238 -0.002806 -0.001447 0.000437 -0.000887 367 C 30 ZZ 0.001538 0.006527 0.001523 -0.002112 0.000847 368 C 30 XY 0.000392 0.000395 0.000547 0.000599 -0.000157 369 C 30 XZ -0.000629 0.000273 -0.001543 -0.002626 -0.000106 370 C 30 YZ 0.000129 0.002451 -0.000055 -0.001928 -0.000374 371 H 31 S -0.012631 -0.029924 -0.023417 0.003183 -0.012953 372 H 31 S -0.004368 -0.005233 -0.003221 0.004103 -0.003283 373 H 31 X 0.000539 0.000848 0.001061 0.001208 -0.000084 374 H 31 Y -0.000682 -0.003252 -0.001852 0.000836 -0.000859 375 H 31 Z 0.000347 0.000705 0.000357 -0.000183 0.000279 376 H 32 S -0.010010 -0.048426 -0.023457 -0.001284 0.006243 377 H 32 S 0.005200 -0.015950 -0.013610 -0.002653 0.003294 378 H 32 X -0.000105 -0.004374 -0.001851 0.000805 0.000548 379 H 32 Y 0.000732 0.001999 0.002040 0.000772 0.000128 380 H 32 Z -0.000139 0.000243 0.000468 0.000343 -0.000225 381 H 33 S 0.007528 -0.036105 0.014817 0.041911 0.002602 382 H 33 S 0.002632 -0.006677 0.006696 0.012257 0.000771 383 H 33 X -0.000471 0.003809 -0.000306 -0.002753 -0.000529 384 H 33 Y -0.000054 0.001537 -0.000673 -0.002007 0.000276 385 H 33 Z -0.000041 -0.000310 -0.000388 -0.000123 -0.000097 386 H 34 S 0.002491 -0.042940 0.024767 -0.028736 -0.014150 387 H 34 S 0.000258 -0.011095 0.007586 -0.009628 -0.003615 388 H 34 X -0.000202 -0.001530 0.001322 -0.002783 -0.000656 389 H 34 Y 0.000042 0.000501 -0.000502 0.000806 0.000142 390 H 34 Z -0.000242 0.004173 -0.002528 0.002886 0.001314 391 F 35 S -0.002146 -0.000209 0.000321 0.000082 -0.001971 392 F 35 S -0.046898 -0.004894 0.007930 -0.000179 -0.007634 393 F 35 S -0.071575 -0.007479 0.012442 -0.001759 0.006584 394 F 35 X 0.276386 0.022246 -0.056838 0.004713 0.172735 395 F 35 Y 0.020705 0.079771 0.017914 -0.082917 -0.008048 396 F 35 Z 0.035250 -0.010433 0.039534 -0.000471 0.241857 397 F 35 X 0.178048 0.014690 -0.037680 0.002371 0.115622 398 F 35 Y 0.012186 0.053552 0.012514 -0.055800 -0.005334 399 F 35 Z 0.030261 -0.006435 0.024897 -0.000869 0.156402 400 F 35 XX 0.009480 0.000781 -0.002059 0.000113 0.006286 401 F 35 YY -0.004283 -0.000419 0.001443 -0.000175 -0.001620 402 F 35 ZZ -0.005197 -0.000362 0.000616 0.000063 -0.004666 403 F 35 XY 0.001325 0.001949 0.000232 -0.002072 0.000428 404 F 35 XZ -0.001105 -0.000512 0.001374 -0.000067 0.002860 405 F 35 YZ -0.000024 -0.000429 -0.000009 0.000652 0.000445 406 F 36 S 0.001533 -0.000001 -0.000158 0.000083 -0.001432 407 F 36 S 0.043386 0.002520 -0.007541 0.000323 -0.006706 408 F 36 S 0.068140 0.005832 -0.013648 0.000365 0.001300 409 F 36 X -0.057752 -0.015905 0.040623 0.006156 0.312347 410 F 36 Y 0.017484 -0.030977 -0.001121 -0.019192 0.037300 411 F 36 Z -0.247765 -0.016604 0.054436 -0.000219 0.091143 412 F 36 X -0.041938 -0.010800 0.027388 0.003214 0.207424 413 F 36 Y 0.010995 -0.022028 -0.000827 -0.011313 0.024991 414 F 36 Z -0.159217 -0.010535 0.034762 -0.000234 0.063322 415 F 36 XX 0.003983 0.000294 -0.000811 0.000013 -0.001155 416 F 36 YY 0.004685 0.000236 -0.001016 0.000011 -0.002684 417 F 36 ZZ -0.008667 -0.000530 0.001826 -0.000025 0.003839 418 F 36 XY 0.000201 -0.000293 -0.000159 0.000145 -0.000443 419 F 36 XZ -0.003313 -0.000606 0.001363 0.000159 0.006990 420 F 36 YZ 0.001170 -0.000764 -0.000140 -0.000623 0.000411 421 C 37 S -0.000020 0.000447 -0.004747 0.004609 0.000444 422 C 37 S 0.008546 -0.006732 0.085386 -0.090230 -0.008386 423 C 37 S 0.025482 -0.017058 0.090520 -0.069574 -0.000881 424 C 37 X 0.019425 0.048010 0.139156 -0.101344 0.010398 425 C 37 Y -0.037515 0.102291 -0.117070 0.040826 0.020106 426 C 37 Z -0.002338 0.025667 -0.009384 0.008448 0.009393 427 C 37 X -0.003904 0.019737 0.022674 -0.026750 0.004942 428 C 37 Y -0.001557 0.022358 -0.026681 0.022887 0.012745 429 C 37 Z -0.000556 0.005366 -0.000760 0.002733 0.004043 430 C 37 XX -0.000101 -0.006232 0.003500 -0.003828 -0.002053 431 C 37 YY 0.000075 0.004349 -0.002915 0.002904 0.001720 432 C 37 ZZ 0.000026 0.001883 -0.000585 0.000924 0.000334 433 C 37 XY 0.000908 -0.008291 0.001429 0.000030 -0.001068 434 C 37 XZ -0.000043 -0.003067 -0.000539 0.000357 -0.000897 435 C 37 YZ 0.000224 -0.001008 0.000100 0.000269 -0.000100 436 S 38 S -0.000203 0.000017 -0.000609 0.000335 -0.000148 437 S 38 S -0.001018 -0.000141 -0.003012 0.001840 -0.001064 438 S 38 S 0.045149 -0.042334 0.136900 -0.059191 -0.007585 439 S 38 S 0.057852 -0.043177 0.194819 -0.085322 -0.007332 440 S 38 X -0.000246 -0.000035 0.002018 -0.003354 0.000680 441 S 38 Y -0.000741 0.000012 -0.000790 -0.001719 -0.000297 442 S 38 Z 0.000022 -0.000188 -0.000310 -0.000105 -0.000101 443 S 38 X -0.001903 -0.001222 -0.072732 0.102792 -0.000870 444 S 38 Y 0.028319 -0.007330 0.030703 0.048174 0.012261 445 S 38 Z 0.002660 0.005346 0.008785 0.002883 0.004702 446 S 38 X 0.000867 0.006058 -0.019965 0.038985 -0.017759 447 S 38 Y 0.012827 -0.005626 0.017642 0.012882 0.002445 448 S 38 Z 0.001715 0.002211 0.005394 0.001133 0.002884 449 S 38 XX 0.005110 0.001925 -0.009881 0.026465 0.003101 450 S 38 YY -0.006508 -0.001035 0.003086 -0.023310 -0.003328 451 S 38 ZZ 0.001397 -0.000890 0.006795 -0.003155 0.000227 452 S 38 XY 0.003023 0.004446 0.010283 -0.006202 0.002656 453 S 38 XZ 0.000464 0.000521 -0.000347 0.001247 0.000633 454 S 38 YZ -0.000432 -0.001176 -0.001882 -0.000078 -0.000579 455 S 38 XX 0.000736 0.000363 -0.001853 0.004819 0.000602 456 S 38 YY -0.001085 -0.000196 0.000709 -0.004315 -0.000713 457 S 38 ZZ 0.000348 -0.000167 0.001144 -0.000503 0.000111 458 S 38 XY 0.000368 0.000857 0.001723 -0.001119 0.000299 459 S 38 XZ 0.000079 0.000103 -0.000000 0.000238 0.000085 460 S 38 YZ -0.000035 -0.000244 -0.000365 0.000002 -0.000109 461 H 39 S 0.025694 0.013188 0.178914 -0.138896 -0.002040 462 H 39 S 0.008755 -0.000623 0.053619 -0.036499 -0.001198 463 H 39 X -0.002131 -0.000837 -0.015515 0.012550 0.000176 464 H 39 Y -0.000366 0.002816 0.001388 -0.002817 0.000261 465 H 39 Z 0.000145 0.000788 0.000514 -0.000250 0.000213 66 67 68 69 70 -0.6950 -0.6907 -0.6897 -0.6750 -0.6656 A A A A A 1 C 1 S 0.001331 0.000334 0.000062 -0.000174 -0.000660 2 C 1 S -0.045422 0.013091 0.002823 0.003938 0.012848 3 C 1 S -0.053113 -0.001421 0.006350 0.006934 0.035314 4 C 1 X -0.013097 0.020384 -0.005341 0.006929 0.038580 5 C 1 Y 0.061121 -0.039631 0.001315 -0.014940 0.029878 6 C 1 Z 0.006449 -0.006539 0.001215 -0.001693 -0.004450 7 C 1 X 0.002890 0.017610 -0.003100 -0.000737 0.016192 8 C 1 Y 0.024334 -0.013197 -0.004436 -0.003411 0.015814 9 C 1 Z 0.000450 -0.002441 0.003548 -0.003268 0.003645 10 C 1 XX -0.002178 0.000862 -0.000266 0.000660 -0.000325 11 C 1 YY 0.001442 -0.001565 0.000213 -0.000610 0.001254 12 C 1 ZZ 0.000736 0.000703 0.000053 -0.000050 -0.000929 13 C 1 XY -0.004648 0.004512 -0.000510 0.001153 -0.002546 14 C 1 XZ 0.000088 0.000114 -0.000188 0.000051 -0.000834 15 C 1 YZ 0.000704 -0.000845 0.000112 -0.000181 -0.000290 16 C 2 S 0.000825 -0.001068 -0.000162 0.000562 0.000439 17 C 2 S 0.007525 0.014988 -0.004848 0.005712 -0.014529 18 C 2 S 0.005554 0.005765 0.012620 -0.019088 -0.027577 19 C 2 X 0.019724 -0.049201 0.011039 -0.015620 0.005218 20 C 2 Y 0.119128 -0.078547 0.003760 -0.024230 0.084456 21 C 2 Z 0.007800 -0.005089 0.000304 0.000972 0.002760 22 C 2 X 0.005800 -0.000145 -0.008139 -0.002294 -0.014856 23 C 2 Y 0.031898 -0.057275 0.010752 -0.022016 0.033331 24 C 2 Z 0.001409 -0.001787 -0.003010 0.003851 -0.004395 25 C 2 XX -0.004297 0.002567 0.000292 0.000097 -0.003030 26 C 2 YY 0.005639 -0.003604 0.000082 -0.001063 0.003793 27 C 2 ZZ -0.001342 0.001038 -0.000374 0.000966 -0.000763 28 C 2 XY 0.000999 -0.001088 -0.000106 -0.000265 -0.001649 29 C 2 XZ 0.000108 -0.000331 0.000158 -0.000265 0.000368 30 C 2 YZ 0.000628 -0.000747 0.000024 0.000121 -0.000385 31 C 3 S -0.001123 0.001234 0.000715 0.000792 0.000242 32 C 3 S 0.014161 0.004513 -0.002391 0.004179 0.031838 33 C 3 S 0.004800 -0.040421 -0.032822 -0.007109 -0.031723 34 C 3 X 0.114567 -0.111363 0.013391 -0.032578 0.022312 35 C 3 Y -0.087310 0.038843 0.001567 0.012359 -0.045916 36 C 3 Z 0.008141 -0.014980 -0.000660 0.007750 -0.012664 37 C 3 X 0.070834 -0.013165 0.031468 -0.000732 0.042255 38 C 3 Y -0.027682 -0.047755 0.026576 -0.028665 -0.037641 39 C 3 Z 0.007687 -0.007853 0.001182 0.008812 -0.000739 40 C 3 XX -0.005237 -0.000504 0.000116 -0.000495 -0.003512 41 C 3 YY 0.005664 0.000016 -0.000519 0.000113 0.003905 42 C 3 ZZ -0.000428 0.000488 0.000403 0.000382 -0.000393 43 C 3 XY -0.000230 -0.002128 0.001177 -0.000545 -0.000790 44 C 3 XZ 0.000440 -0.001099 0.000784 -0.001663 -0.001197 45 C 3 YZ 0.000892 -0.001534 0.000449 -0.000106 0.000267 46 C 4 S 0.000229 0.000568 -0.000155 0.000020 0.000685 47 C 4 S -0.023353 -0.012106 0.008226 -0.000053 -0.039892 48 C 4 S -0.019054 -0.012231 -0.004619 0.004442 -0.048474 49 C 4 X -0.008777 0.018410 -0.002263 0.002369 -0.023363 50 C 4 Y -0.082687 0.078893 -0.007564 0.022638 0.013667 51 C 4 Z 0.017233 -0.028260 0.003094 -0.001658 -0.039286 52 C 4 X 0.007125 -0.007914 0.002564 -0.007215 -0.023166 53 C 4 Y -0.036578 0.051773 -0.000693 0.021956 0.015903 54 C 4 Z 0.008121 -0.016076 0.007785 -0.009574 -0.014505 55 C 4 XX -0.001622 0.001040 0.000280 0.001035 -0.003582 56 C 4 YY 0.003900 -0.002710 -0.000119 -0.000416 0.003668 57 C 4 ZZ -0.002278 0.001670 -0.000161 -0.000618 -0.000086 58 C 4 XY 0.003083 -0.002546 -0.000181 -0.000408 0.004676 59 C 4 XZ -0.000154 -0.000095 0.000063 -0.000915 0.000250 60 C 4 YZ 0.003285 -0.003789 0.000818 -0.001067 -0.001657 61 S 5 S 0.000170 -0.000165 0.000022 0.000024 0.000314 62 S 5 S 0.000948 -0.000618 0.000069 0.000363 0.001980 63 S 5 S -0.011699 0.039351 -0.008651 0.012130 -0.017849 64 S 5 S -0.028659 0.061317 -0.009122 0.018464 -0.030326 65 S 5 X 0.001062 -0.001486 0.000125 -0.000522 -0.000112 66 S 5 Y 0.000063 0.000026 -0.000065 0.000101 0.001611 67 S 5 Z -0.000463 0.000554 -0.000012 0.000250 0.000513 68 S 5 X -0.023470 0.035708 -0.006651 0.012293 -0.002446 69 S 5 Y -0.003521 0.003256 0.001924 0.002030 -0.045858 70 S 5 Z 0.012125 -0.015527 0.002409 -0.004604 -0.019107 71 S 5 X -0.009153 0.017386 -0.004866 0.007072 -0.001035 72 S 5 Y -0.002421 0.006350 0.000368 0.000774 -0.020775 73 S 5 Z 0.008111 -0.008016 -0.000036 -0.001922 -0.010675 74 S 5 XX 0.006744 -0.007374 0.001134 -0.002622 -0.002761 75 S 5 YY -0.005627 0.004607 -0.000448 0.001483 0.005158 76 S 5 ZZ -0.001117 0.002767 -0.000687 0.001139 -0.002397 77 S 5 XY 0.001550 -0.001009 -0.000544 -0.000295 0.011353 78 S 5 XZ -0.002708 0.003332 -0.000414 0.000662 0.003959 79 S 5 YZ 0.000037 -0.000501 0.000140 -0.000171 -0.002490 80 S 5 XX 0.001245 -0.001284 0.000185 -0.000409 -0.000447 81 S 5 YY -0.001016 0.000858 -0.000109 0.000258 0.000951 82 S 5 ZZ -0.000229 0.000426 -0.000075 0.000151 -0.000504 83 S 5 XY 0.000217 -0.000074 -0.000091 -0.000047 0.002026 84 S 5 XZ -0.000475 0.000656 -0.000115 0.000192 0.000690 85 S 5 YZ 0.000064 -0.000175 0.000032 -0.000043 -0.000569 86 H 6 S -0.074387 0.077423 -0.010384 0.023322 -0.060864 87 H 6 S -0.025514 -0.000586 -0.002712 -0.000297 -0.011646 88 H 6 X -0.005015 0.004851 -0.000990 0.002306 -0.004872 89 H 6 Y -0.003425 0.003934 -0.000690 0.001132 -0.002310 90 H 6 Z 0.000172 0.000421 -0.000155 0.000383 -0.000355 91 C 7 S -0.001171 0.000460 -0.000260 0.002255 0.000784 92 C 7 S -0.025081 -0.002677 0.010580 0.013739 -0.029968 93 C 7 S 0.031107 0.015855 0.029784 -0.033253 0.023692 94 C 7 X 0.068853 -0.039712 -0.001965 -0.016709 -0.045581 95 C 7 Y 0.016105 -0.034074 0.008455 -0.003027 -0.049375 96 C 7 Z -0.027000 0.017875 0.005647 0.023340 0.011099 97 C 7 X 0.014755 -0.034838 -0.019380 0.025415 -0.030333 98 C 7 Y -0.024851 -0.019971 0.014814 0.009771 -0.062823 99 C 7 Z -0.001170 0.010274 0.004993 0.006409 0.007488 100 C 7 XX 0.001821 0.001947 -0.001386 -0.001860 0.003267 101 C 7 YY -0.001398 -0.002420 0.001640 0.000776 -0.004409 102 C 7 ZZ -0.000423 0.000472 -0.000254 0.001084 0.001142 103 C 7 XY 0.000902 -0.000334 0.000886 0.000624 0.003873 104 C 7 XZ -0.001565 -0.000221 -0.000231 -0.000536 -0.000861 105 C 7 YZ 0.000293 -0.000547 0.000312 -0.000088 0.000223 106 C 8 S 0.000422 -0.001333 0.000294 0.000778 0.000260 107 C 8 S -0.024364 0.036565 -0.009091 0.002896 0.003049 108 C 8 S -0.026223 0.042173 -0.009468 -0.002091 0.004780 109 C 8 X -0.035022 0.010186 0.005935 -0.000481 -0.043579 110 C 8 Y -0.024824 0.038593 -0.008629 0.011269 0.070077 111 C 8 Z -0.015411 0.012960 0.000482 0.007255 0.003744 112 C 8 X -0.024318 -0.012944 0.010557 0.019600 -0.015526 113 C 8 Y -0.003720 0.013370 -0.010148 0.008235 0.029241 114 C 8 Z -0.008711 0.005726 -0.001142 0.003341 -0.000320 115 C 8 XX -0.001264 0.001372 -0.000046 0.000533 0.001764 116 C 8 YY 0.000914 -0.000043 -0.000215 -0.000610 -0.000860 117 C 8 ZZ 0.000350 -0.001329 0.000261 0.000078 -0.000904 118 C 8 XY 0.003196 -0.000984 -0.000497 -0.000818 -0.001936 119 C 8 XZ 0.000509 -0.000149 -0.000277 -0.000286 -0.000417 120 C 8 YZ 0.001263 -0.000574 -0.000087 -0.000433 0.000457 121 C 9 S -0.000451 -0.000660 0.000059 0.000977 -0.000127 122 C 9 S 0.025646 0.008636 -0.012290 -0.005620 0.036542 123 C 9 S 0.032755 0.005625 -0.000388 -0.039510 0.023062 124 C 9 X 0.004015 0.001523 -0.003212 0.005406 0.046761 125 C 9 Y 0.094506 -0.065293 -0.000437 -0.018035 -0.012514 126 C 9 Z -0.035339 0.020132 0.004873 0.015196 -0.019225 127 C 9 X 0.010054 -0.002716 -0.001656 -0.006845 0.038768 128 C 9 Y 0.062484 -0.035898 0.002085 -0.021091 -0.008783 129 C 9 Z -0.027608 0.008673 0.002469 0.001297 -0.017521 130 C 9 XX 0.001710 -0.001432 0.000107 0.000336 0.001428 131 C 9 YY 0.000571 -0.000346 0.000213 -0.000992 -0.001882 132 C 9 ZZ -0.002281 0.001778 -0.000320 0.000656 0.000454 133 C 9 XY 0.001976 -0.000797 -0.000604 -0.000613 0.006008 134 C 9 XZ 0.000047 0.000168 -0.000385 -0.001168 0.000329 135 C 9 YZ 0.005250 -0.002935 0.000167 -0.000505 0.000673 136 C 10 S -0.002157 0.000388 -0.001627 -0.001715 -0.001870 137 C 10 S 0.036457 -0.025133 -0.008692 -0.011785 0.042889 138 C 10 S 0.063187 -0.035051 0.031696 0.029996 0.048835 139 C 10 X -0.065920 0.041313 0.011650 0.019228 0.004284 140 C 10 Y -0.092134 0.065642 -0.001784 0.031239 0.025760 141 C 10 Z -0.001485 0.005775 0.007006 0.026294 0.002406 142 C 10 X -0.086072 -0.022749 0.019302 0.021830 -0.084411 143 C 10 Y -0.063844 0.008268 -0.077996 0.052201 -0.003458 144 C 10 Z 0.001247 0.003150 0.008914 0.015037 0.017773 145 C 10 XX -0.002879 0.002429 -0.003398 0.001272 0.003187 146 C 10 YY 0.004704 -0.003786 0.002442 -0.002818 -0.002548 147 C 10 ZZ -0.001824 0.001358 0.000956 0.001546 -0.000639 148 C 10 XY -0.001776 -0.003041 0.000767 -0.000430 -0.003807 149 C 10 XZ 0.000441 -0.001620 0.000699 0.002578 0.001843 150 C 10 YZ 0.000989 -0.000140 0.001228 -0.000058 0.000634 151 C 11 S 0.000297 -0.000009 0.000922 -0.001663 0.001046 152 C 11 S 0.000291 0.004755 0.002979 -0.011805 -0.037265 153 C 11 S 0.006030 0.009852 -0.020534 0.040584 -0.025648 154 C 11 X -0.091784 0.088164 -0.015353 0.029820 0.017675 155 C 11 Y 0.103024 -0.071661 -0.000038 -0.030517 0.013076 156 C 11 Z -0.005384 0.001567 -0.009706 0.024363 -0.009027 157 C 11 X 0.004277 0.109682 -0.013088 0.020961 0.083550 158 C 11 Y 0.015509 -0.037349 -0.087472 -0.004703 -0.010339 159 C 11 Z -0.003503 0.007552 -0.014224 0.018452 -0.013597 160 C 11 XX -0.005056 0.003746 0.003258 0.000565 -0.002804 161 C 11 YY 0.006585 -0.004621 -0.002598 -0.002246 0.002714 162 C 11 ZZ -0.001528 0.000876 -0.000660 0.001681 0.000091 163 C 11 XY -0.002911 -0.003120 0.001472 -0.000425 -0.003679 164 C 11 XZ 0.001177 0.000042 -0.000067 0.001357 -0.004058 165 C 11 YZ -0.000517 0.000180 0.001485 0.000048 0.000091 166 C 12 S 0.000297 -0.000960 0.000037 0.000381 0.003303 167 C 12 S -0.029043 -0.014643 -0.014472 -0.002667 0.009512 168 C 12 S -0.079821 -0.028599 -0.026973 -0.009871 -0.070635 169 C 12 X 0.052014 0.016371 -0.002232 0.002203 0.022835 170 C 12 Y 0.001111 0.021472 0.009531 0.010639 0.002193 171 C 12 Z -0.022901 0.031701 0.035730 0.002267 -0.028845 172 C 12 X -0.009788 0.012319 0.044639 -0.013116 -0.018042 173 C 12 Y 0.066371 0.016192 0.041918 -0.007179 0.010254 174 C 12 Z 0.024633 0.014891 0.006417 0.014558 0.015027 175 C 12 XX 0.006728 -0.009415 -0.001230 -0.001781 0.005064 176 C 12 YY 0.016050 0.001463 -0.005632 -0.008982 -0.002975 177 C 12 ZZ -0.022778 0.007952 0.006862 0.010763 -0.002088 178 C 12 XY -0.007734 0.014439 -0.008111 -0.008661 -0.010731 179 C 12 XZ 0.000870 -0.000746 0.011742 0.026306 0.014932 180 C 12 YZ 0.024007 0.002471 0.011131 0.003357 0.000490 181 C 13 S -0.001687 0.000737 -0.000084 0.001376 0.000235 182 C 13 S 0.004205 -0.007134 -0.000757 0.013507 -0.002710 183 C 13 S 0.040289 -0.030571 -0.001127 -0.002834 -0.007447 184 C 13 X -0.015102 0.004831 0.000189 -0.029230 -0.001930 185 C 13 Y 0.035344 0.051402 0.002445 -0.007005 -0.001808 186 C 13 Z 0.037683 -0.022583 0.001643 0.040507 -0.018887 187 C 13 X 0.019360 -0.021562 -0.003709 0.023626 -0.005752 188 C 13 Y 0.037233 0.046184 0.058792 0.009101 0.022163 189 C 13 Z 0.007871 -0.000549 0.004213 -0.032510 0.007981 190 C 13 XX 0.013479 -0.006552 -0.000766 0.007304 -0.003632 191 C 13 YY -0.002980 -0.000031 0.005433 -0.002030 -0.004681 192 C 13 ZZ -0.010499 0.006583 -0.004667 -0.005274 0.008313 193 C 13 XY -0.016782 -0.023208 0.009826 0.000258 -0.008547 194 C 13 XZ -0.004624 0.001973 0.003379 -0.016806 -0.002426 195 C 13 YZ -0.002646 -0.005798 -0.025766 0.003279 0.017863 196 C 14 S 0.001494 -0.000861 0.000378 -0.000894 -0.002354 197 C 14 S 0.015175 0.023207 0.017573 -0.007625 -0.011620 198 C 14 S 0.017321 0.082242 0.020358 0.002957 0.045441 199 C 14 X -0.007002 -0.064090 0.001769 -0.004385 -0.026197 200 C 14 Y 0.023657 -0.004334 0.019208 -0.012037 -0.025988 201 C 14 Z -0.020812 0.001761 -0.034772 0.010020 0.036903 202 C 14 X -0.005838 -0.011309 -0.055197 -0.010185 0.011215 203 C 14 Y 0.007922 0.065539 0.038452 -0.002039 0.015324 204 C 14 Z -0.006797 -0.015287 -0.003071 0.005475 -0.012676 205 C 14 XX 0.002164 0.000478 0.003813 -0.004204 -0.001688 206 C 14 YY 0.004489 -0.022848 -0.000906 -0.005720 -0.001640 207 C 14 ZZ -0.006653 0.022370 -0.002907 0.009925 0.003328 208 C 14 XY 0.013868 0.002807 -0.005531 0.000567 -0.010832 209 C 14 XZ 0.004139 -0.004319 -0.013654 0.019503 -0.025287 210 C 14 YZ 0.002382 0.013086 0.010878 -0.004588 -0.000196 211 F 15 S 0.001712 -0.000418 -0.000403 0.000436 0.000342 212 F 15 S 0.012056 -0.007405 -0.004542 0.000319 0.002990 213 F 15 S 0.007568 -0.012537 -0.003566 -0.005686 0.003883 214 F 15 X -0.010454 0.098977 0.209766 0.345693 0.133362 215 F 15 Y 0.278480 -0.006366 0.160357 0.115560 0.008075 216 F 15 Z 0.083425 -0.012645 -0.000293 0.078962 0.093467 217 F 15 X -0.008562 0.065416 0.143598 0.240312 0.090697 218 F 15 Y 0.188523 -0.009164 0.107834 0.080906 0.003875 219 F 15 Z 0.057305 -0.006929 0.000172 0.055191 0.063285 220 F 15 XX 0.002064 0.000582 0.001340 0.003465 0.002316 221 F 15 YY 0.000864 -0.000350 -0.001250 -0.000773 0.000824 222 F 15 ZZ -0.002928 -0.000233 -0.000090 -0.002692 -0.003140 223 F 15 XY 0.001624 0.000145 0.000097 -0.000211 -0.000283 224 F 15 XZ 0.000821 -0.002313 -0.004620 -0.006423 -0.001775 225 F 15 YZ -0.006232 0.000111 -0.003567 -0.002652 -0.000351 226 F 16 S 0.001557 -0.000447 -0.000034 -0.000084 0.000053 227 F 16 S 0.004220 -0.001180 -0.000138 0.000237 0.001333 228 F 16 S -0.010272 0.002980 -0.000695 0.002894 0.002886 229 F 16 X -0.020480 0.184466 -0.187499 -0.261747 -0.201468 230 F 16 Y 0.154775 0.080486 -0.013563 -0.133136 -0.082384 231 F 16 Z 0.202098 0.006156 0.003938 -0.083919 0.009261 232 F 16 X -0.013524 0.126521 -0.133848 -0.180996 -0.138224 233 F 16 Y 0.105761 0.052592 -0.014018 -0.092753 -0.057615 234 F 16 Z 0.133103 0.002887 -0.002134 -0.059483 0.008210 235 F 16 XX 0.000822 0.002186 -0.001765 -0.002774 -0.001952 236 F 16 YY -0.004878 -0.002746 0.000588 0.004064 0.002484 237 F 16 ZZ 0.004055 0.000560 0.001177 -0.001290 -0.000532 238 F 16 XY 0.001036 -0.002738 0.003792 0.003786 0.002586 239 F 16 XZ 0.001071 0.002209 -0.001537 -0.002633 -0.001674 240 F 16 YZ -0.001120 0.000758 0.000555 0.000354 -0.001254 241 F 17 S 0.000340 -0.000987 0.000047 0.000002 -0.000544 242 F 17 S 0.001774 -0.003663 0.000541 -0.000330 -0.001871 243 F 17 S -0.000814 0.004394 0.001636 -0.000208 0.001566 244 F 17 X -0.147127 -0.107001 0.178882 -0.204910 0.311203 245 F 17 Y 0.026343 0.201863 0.023427 0.081578 -0.056867 246 F 17 Z 0.011412 -0.144447 -0.000030 -0.068599 -0.006334 247 F 17 X -0.100764 -0.073457 0.129256 -0.141624 0.215241 248 F 17 Y 0.016020 0.136197 0.011057 0.058188 -0.039147 249 F 17 Z 0.007898 -0.095067 0.004700 -0.049706 -0.005178 250 F 17 XX -0.000894 -0.001316 0.000464 -0.000975 0.001252 251 F 17 YY 0.000930 0.005217 0.000335 0.002309 -0.001688 252 F 17 ZZ -0.000036 -0.003900 -0.000799 -0.001334 0.000436 253 F 17 XY -0.002092 -0.001608 0.003488 -0.003189 0.004263 254 F 17 XZ -0.002217 -0.002372 0.002194 -0.002667 0.003892 255 F 17 YZ 0.000608 0.001500 0.001316 -0.000279 -0.001116 256 F 18 S 0.000507 -0.001075 0.000336 0.000231 -0.001011 257 F 18 S 0.007329 -0.006470 0.004784 -0.000974 -0.006642 258 F 18 S 0.010759 -0.001723 0.005168 -0.005736 -0.003991 259 F 18 X -0.045961 -0.101163 -0.221001 0.277857 -0.201959 260 F 18 Y -0.052776 0.252926 0.125654 -0.073236 0.089048 261 F 18 Z 0.000678 -0.016792 0.024045 0.037494 -0.121657 262 F 18 X -0.028236 -0.067514 -0.151309 0.193618 -0.138648 263 F 18 Y -0.039984 0.171631 0.083989 -0.051614 0.062161 264 F 18 Z -0.001623 -0.012224 0.015194 0.026573 -0.083359 265 F 18 XX -0.000274 -0.002713 -0.001524 0.002658 -0.003461 266 F 18 YY -0.000275 0.002007 0.002225 -0.001484 -0.000103 267 F 18 ZZ 0.000549 0.000706 -0.000701 -0.001174 0.003563 268 F 18 XY -0.000300 0.000922 -0.001264 0.001695 -0.001022 269 F 18 XZ 0.000991 0.001990 0.004694 -0.005013 0.002471 270 F 18 YZ 0.000969 -0.005580 -0.002353 0.001619 -0.002827 271 C 19 S -0.001561 0.001051 -0.000061 0.000619 0.000787 272 C 19 S 0.013321 -0.014957 0.002493 -0.001517 -0.006867 273 C 19 S 0.018125 -0.010140 0.002957 -0.011262 -0.009522 274 C 19 X 0.013864 -0.035086 0.010985 -0.005997 -0.059557 275 C 19 Y 0.048809 -0.044808 0.004411 -0.007445 0.000699 276 C 19 Z 0.000860 -0.002423 0.001645 0.002341 -0.003543 277 C 19 X 0.006488 -0.012608 0.003089 -0.001822 -0.022294 278 C 19 Y 0.015983 -0.020361 0.002615 0.001714 0.001171 279 C 19 Z 0.000778 -0.001714 0.001091 0.002264 -0.001194 280 C 19 XX -0.000313 -0.000587 0.000391 0.000467 -0.000425 281 C 19 YY -0.002747 0.003072 -0.000533 0.000023 -0.000040 282 C 19 ZZ 0.003060 -0.002485 0.000143 -0.000490 0.000465 283 C 19 XY -0.003565 0.004363 -0.000775 0.000911 0.003464 284 C 19 XZ -0.000238 0.000332 -0.000158 -0.000110 0.000422 285 C 19 YZ -0.000778 0.000814 -0.000146 0.000028 0.000097 286 H 20 S 0.010660 -0.029463 0.009595 -0.004439 -0.051930 287 H 20 S 0.002327 -0.009055 0.002997 -0.000500 -0.014946 288 H 20 X -0.001046 0.002098 -0.000571 0.000450 0.003715 289 H 20 Y 0.001540 -0.001830 0.000315 -0.000333 -0.001224 290 H 20 Z -0.000069 0.000040 0.000005 0.000048 -0.000021 291 H 21 S 0.030493 -0.025602 0.001230 -0.005455 0.006504 292 H 21 S 0.009395 -0.007334 0.000167 -0.002221 0.000506 293 H 21 X 0.000888 -0.001373 0.000291 -0.000259 -0.001608 294 H 21 Y -0.000682 0.000799 -0.000108 0.000075 -0.000110 295 H 21 Z 0.002557 -0.002160 0.000123 -0.000390 0.000413 296 C 22 S -0.002225 0.001780 -0.000093 0.000580 -0.000246 297 C 22 S 0.023540 -0.012514 0.000471 -0.003615 -0.000066 298 C 22 S 0.026769 -0.018515 -0.001825 -0.004583 0.001435 299 C 22 X 0.050037 -0.025456 -0.001008 -0.009553 0.035029 300 C 22 Y -0.063177 0.036113 -0.001782 0.013024 0.021354 301 C 22 Z -0.003864 0.000541 0.000596 0.000549 -0.003781 302 C 22 X 0.016552 -0.009206 0.000012 -0.002389 0.012406 303 C 22 Y -0.024278 0.013931 -0.001220 0.005887 0.005950 304 C 22 Z -0.000780 -0.000143 -0.000883 0.001122 -0.003130 305 C 22 XX 0.001142 -0.000865 0.000151 -0.000357 -0.001426 306 C 22 YY -0.005811 0.003275 -0.000092 0.001192 -0.000147 307 C 22 ZZ 0.004669 -0.002410 -0.000059 -0.000835 0.001573 308 C 22 XY 0.004862 -0.002822 0.000048 -0.000890 -0.000480 309 C 22 XZ 0.000505 -0.000360 0.000026 -0.000109 -0.000029 310 C 22 YZ -0.000733 0.000357 -0.000061 0.000226 -0.000416 311 H 23 S 0.023695 -0.014463 0.001703 -0.004550 -0.033191 312 H 23 S 0.006432 -0.001800 0.000828 -0.000319 -0.011830 313 H 23 X 0.003275 -0.001822 0.000120 -0.000613 -0.001266 314 H 23 Y 0.000541 -0.000122 0.000104 -0.000054 -0.001916 315 H 23 Z -0.000066 0.000006 0.000075 -0.000042 -0.000114 316 H 24 S 0.043808 -0.024456 0.000507 -0.008412 0.012350 317 H 24 S 0.013090 -0.007081 0.000219 -0.002756 0.002975 318 H 24 X -0.001444 0.000910 -0.000060 0.000223 0.000415 319 H 24 Y -0.000845 0.000485 -0.000092 0.000231 0.000747 320 H 24 Z -0.003854 0.002052 -0.000018 0.000709 -0.001036 321 H 25 S 0.041451 -0.020910 -0.000455 -0.007538 0.017430 322 H 25 S 0.012195 -0.005705 -0.000329 -0.002383 0.004849 323 H 25 X -0.001044 0.000607 -0.000013 0.000134 0.000189 324 H 25 Y -0.001281 0.000712 -0.000040 0.000271 0.000744 325 H 25 Z 0.003707 -0.001890 0.000021 -0.000714 0.001409 326 C 26 S 0.000926 -0.000255 -0.000342 0.000034 0.000918 327 C 26 S -0.010091 -0.000620 0.003117 0.005852 -0.010385 328 C 26 S -0.015494 -0.001272 0.003725 -0.002035 -0.017017 329 C 26 X -0.000970 0.002916 -0.000795 0.008391 0.024011 330 C 26 Y 0.044817 -0.031281 -0.002936 -0.012287 -0.005388 331 C 26 Z 0.021288 0.004959 -0.010600 -0.012069 0.038339 332 C 26 X -0.003792 0.001607 -0.002651 0.005406 0.005443 333 C 26 Y 0.008928 -0.008314 -0.001365 0.001810 0.000845 334 C 26 Z 0.003273 0.004519 -0.004621 -0.001215 0.013288 335 C 26 XX -0.002682 0.000868 0.000605 0.000808 -0.001470 336 C 26 YY 0.000769 -0.001516 0.000552 -0.000150 -0.002219 337 C 26 ZZ 0.001913 0.000647 -0.001157 -0.000658 0.003689 338 C 26 XY -0.000442 0.000510 0.000020 -0.000228 -0.000151 339 C 26 XZ 0.000346 0.000036 -0.000282 0.000131 0.000835 340 C 26 YZ 0.001835 -0.000653 -0.000404 -0.000268 0.001135 341 H 27 S -0.031796 0.013042 0.006010 0.005592 -0.023459 342 H 27 S -0.014156 0.005802 -0.000938 0.013820 -0.006145 343 H 27 X -0.003026 0.001412 0.000395 0.001466 -0.000924 344 H 27 Y -0.001226 0.000102 0.000257 0.000527 -0.001879 345 H 27 Z 0.000108 0.000108 -0.000184 0.000010 0.000368 346 H 28 S 0.016063 -0.023936 0.003854 -0.002143 -0.030005 347 H 28 S 0.003686 -0.004845 0.001788 -0.001582 -0.008972 348 H 28 X 0.000362 -0.000394 0.000146 0.000279 0.000178 349 H 28 Y -0.000178 0.001220 -0.000444 -0.000443 0.002525 350 H 28 Z 0.000687 -0.000676 -0.000019 -0.000488 -0.000525 351 H 29 S -0.025482 0.010393 0.005161 0.016539 0.002471 352 H 29 S -0.007500 0.004824 0.002484 0.006010 0.001064 353 H 29 X 0.002417 -0.000992 -0.000469 -0.001526 0.000293 354 H 29 Y 0.000419 -0.000544 0.000168 0.000201 -0.000229 355 H 29 Z -0.000193 0.000366 -0.000003 0.000232 0.000589 356 C 30 S 0.000058 -0.000838 0.000556 0.000729 -0.000712 357 C 30 S 0.006631 0.003854 -0.002191 -0.003083 0.013913 358 C 30 S 0.006236 0.005836 -0.009343 -0.008114 0.010726 359 C 30 X -0.000719 0.006150 -0.001368 -0.006502 -0.009665 360 C 30 Y -0.036677 0.040800 -0.002364 0.014561 0.021230 361 C 30 Z 0.020397 0.009798 -0.005839 -0.005654 0.051421 362 C 30 X -0.001106 0.005761 0.001012 0.005993 0.001524 363 C 30 Y -0.007326 0.006557 -0.001890 -0.002642 0.006269 364 C 30 Z 0.012032 -0.000423 -0.000863 -0.006313 0.020345 365 C 30 XX -0.000354 0.002066 -0.000521 0.000067 0.003070 366 C 30 YY 0.002582 -0.001116 -0.000077 -0.000785 0.001901 367 C 30 ZZ -0.002228 -0.000950 0.000599 0.000719 -0.004972 368 C 30 XY -0.000134 0.000355 -0.000023 0.000253 -0.000098 369 C 30 XZ 0.000483 -0.000906 0.000145 0.000026 -0.000051 370 C 30 YZ 0.000563 -0.001127 0.000152 0.000162 -0.001799 371 H 31 S 0.037467 -0.021553 -0.002575 -0.015081 0.014564 372 H 31 S 0.008484 -0.005227 -0.002087 -0.006470 0.002918 373 H 31 X -0.000175 0.000176 -0.000034 -0.000414 -0.000579 374 H 31 Y 0.002368 -0.000721 -0.000325 -0.000886 0.001801 375 H 31 Z -0.001105 0.000873 0.000202 0.000677 0.000435 376 H 32 S -0.005707 0.017353 -0.002780 0.008288 0.034959 377 H 32 S -0.005415 0.011260 0.003796 0.018608 0.016355 378 H 32 X -0.001064 0.002100 0.000087 0.001414 0.003071 379 H 32 Y -0.000869 0.000320 -0.000084 -0.000428 -0.001480 380 H 32 Z 0.000278 -0.000108 -0.000118 -0.000643 0.000141 381 H 33 S -0.009443 0.026141 -0.004216 -0.000724 0.021522 382 H 33 S -0.005645 0.008717 -0.001421 -0.001951 0.005952 383 H 33 X 0.001104 -0.002334 0.000237 -0.000293 -0.002242 384 H 33 Y -0.000497 -0.000171 0.000246 0.000905 -0.000609 385 H 33 Z 0.000476 -0.000147 0.000026 0.000140 0.000648 386 H 34 S 0.024028 -0.020398 0.002145 -0.001108 0.005476 387 H 34 S 0.007403 -0.005562 0.000114 -0.002025 0.000845 388 H 34 X 0.000869 -0.001376 0.000301 -0.000192 -0.001613 389 H 34 Y 0.000155 0.000081 -0.000113 -0.000182 -0.000018 390 H 34 Z -0.002238 0.001886 -0.000159 0.000174 -0.000556 391 F 35 S -0.000249 0.000230 -0.000033 -0.000600 -0.000109 392 F 35 S -0.005106 0.003522 -0.000215 -0.002258 -0.000248 393 F 35 S -0.008508 0.005362 0.000044 0.003556 0.000858 394 F 35 X 0.032052 -0.063831 0.014202 0.102659 -0.014535 395 F 35 Y 0.276790 0.323494 -0.246169 0.049453 0.195939 396 F 35 Z 0.002771 0.043101 -0.025808 0.012660 0.055867 397 F 35 X 0.018028 -0.040411 0.010198 0.070061 -0.008789 398 F 35 Y 0.186639 0.217323 -0.176620 0.033417 0.130501 399 F 35 Z 0.000223 0.030799 -0.018401 0.006032 0.038175 400 F 35 XX 0.000833 -0.002141 0.000565 0.003720 -0.000506 401 F 35 YY 0.000336 0.001914 -0.000737 -0.001350 0.000833 402 F 35 ZZ -0.001169 0.000227 0.000172 -0.002370 -0.000327 403 F 35 XY 0.006204 0.006837 -0.005622 0.001346 0.003453 404 F 35 XZ -0.000201 0.001548 -0.000606 -0.001390 0.001190 405 F 35 YZ -0.002431 -0.002936 0.000821 -0.000321 -0.001476 406 F 36 S 0.001133 -0.000852 0.000060 0.000537 -0.000437 407 F 36 S 0.008888 -0.007018 0.000294 0.001766 -0.002142 408 F 36 S 0.007549 -0.006578 -0.000118 -0.005634 0.000198 409 F 36 X 0.003267 -0.031272 -0.032244 0.215533 -0.000699 410 F 36 Y 0.109777 0.151706 0.413379 -0.039145 -0.291468 411 F 36 Z -0.047458 0.056004 0.033580 -0.060114 0.007912 412 F 36 X -0.001835 -0.017533 -0.022168 0.149805 -0.000162 413 F 36 Y 0.070930 0.099817 0.284474 -0.026942 -0.201685 414 F 36 Z -0.032368 0.037277 0.023028 -0.041643 0.005620 415 F 36 XX 0.001122 -0.000812 -0.000022 0.000872 -0.000520 416 F 36 YY 0.000111 -0.000919 -0.001261 0.001553 0.000251 417 F 36 ZZ -0.001233 0.001731 0.001283 -0.002425 0.000269 418 F 36 XY -0.000243 -0.000335 0.000643 -0.000536 -0.000362 419 F 36 XZ -0.000271 -0.000527 -0.000650 0.004454 -0.000079 420 F 36 YZ 0.002878 0.003724 0.009092 -0.000529 -0.005984 421 C 37 S 0.000514 0.000100 -0.000210 -0.000094 -0.000743 422 C 37 S -0.001646 -0.016709 0.007278 0.000856 0.004640 423 C 37 S -0.009325 -0.002888 -0.002844 0.013973 0.014093 424 C 37 X -0.078325 0.024320 0.014033 0.019753 0.016494 425 C 37 Y -0.022592 0.007606 0.002979 -0.005907 -0.073310 426 C 37 Z -0.023430 0.013517 0.001965 0.006135 -0.018060 427 C 37 X -0.019631 0.007156 0.004859 -0.003948 -0.001939 428 C 37 Y 0.000194 0.007793 -0.002811 -0.013325 -0.022414 429 C 37 Z -0.003569 0.005301 0.000213 0.000882 -0.002663 430 C 37 XX 0.002135 -0.002189 0.000603 0.000403 0.001995 431 C 37 YY -0.001197 0.001860 -0.000686 -0.000307 -0.002059 432 C 37 ZZ -0.000938 0.000329 0.000083 -0.000096 0.000064 433 C 37 XY 0.003188 -0.000535 -0.000734 -0.000229 0.003374 434 C 37 XZ 0.002298 -0.001318 -0.000453 -0.000669 0.000982 435 C 37 YZ 0.000429 -0.000010 -0.000163 0.000123 0.000065 436 S 38 S 0.000065 -0.000077 0.000126 0.000032 -0.000127 437 S 38 S 0.000203 -0.000488 0.000917 0.000351 -0.000381 438 S 38 S -0.014667 -0.002450 0.005954 0.005777 0.025097 439 S 38 S -0.018375 -0.003078 0.000976 0.012654 0.050720 440 S 38 X -0.000296 0.000383 -0.000134 -0.000786 -0.001459 441 S 38 Y 0.000092 -0.000747 0.000424 -0.000211 -0.002221 442 S 38 Z -0.000004 -0.000170 -0.000236 -0.000376 -0.000347 443 S 38 X 0.020552 0.007711 -0.008970 0.001095 0.031517 444 S 38 Y -0.009333 0.029417 -0.010482 -0.000365 0.063947 445 S 38 Z -0.012722 0.011934 0.003702 0.010476 0.010613 446 S 38 X -0.000273 -0.009630 0.007406 0.018588 0.026381 447 S 38 Y -0.008853 0.011220 0.000433 0.000769 0.027186 448 S 38 Z -0.006249 0.005950 0.005838 0.009667 0.008885 449 S 38 XX 0.001387 0.006634 -0.003692 -0.000562 0.013236 450 S 38 YY -0.000015 -0.007632 0.003315 0.000553 -0.015713 451 S 38 ZZ -0.001372 0.000999 0.000377 0.000010 0.002477 452 S 38 XY -0.005664 0.003585 -0.000609 0.000786 0.002549 453 S 38 XZ -0.001456 0.001359 -0.000323 0.000348 0.000389 454 S 38 YZ 0.002425 -0.001645 -0.000515 -0.002255 -0.001239 455 S 38 XX 0.000271 0.001315 -0.000682 -0.000098 0.002467 456 S 38 YY -0.000008 -0.001509 0.000709 0.000101 -0.002926 457 S 38 ZZ -0.000263 0.000193 -0.000027 -0.000003 0.000459 458 S 38 XY -0.001117 0.000647 0.000046 0.000221 0.000473 459 S 38 XZ -0.000223 0.000206 -0.000030 0.000051 0.000079 460 S 38 YZ 0.000344 -0.000305 -0.000061 -0.000313 -0.000235 461 H 39 S -0.056917 0.006080 0.015237 0.017385 0.028991 462 H 39 S -0.017406 0.002164 0.004576 0.007387 0.011323 463 H 39 X 0.004205 -0.000214 -0.001185 -0.000983 -0.002353 464 H 39 Y -0.001868 0.000054 0.000468 0.000542 -0.000802 465 H 39 Z -0.001024 0.000407 0.000103 0.000277 -0.000577 71 72 73 74 75 -0.6622 -0.6493 -0.6410 -0.6395 -0.6343 A A A A A 1 C 1 S -0.000560 0.000184 -0.000335 0.001182 -0.000076 2 C 1 S 0.007209 -0.003903 0.003829 -0.022335 -0.007895 3 C 1 S 0.020518 -0.006537 0.012138 -0.031647 -0.007428 4 C 1 X 0.040431 -0.007783 0.039018 -0.084987 -0.033279 5 C 1 Y 0.059753 0.001644 -0.002105 0.002107 0.018656 6 C 1 Z -0.006482 0.002709 -0.007150 0.016686 0.003943 7 C 1 X 0.023003 -0.005587 0.019903 -0.045401 -0.019408 8 C 1 Y 0.042848 0.000389 -0.000095 -0.011122 0.011306 9 C 1 Z -0.002758 -0.000714 -0.002363 0.007147 0.002020 10 C 1 XX -0.000476 -0.000067 0.000369 -0.000639 -0.000025 11 C 1 YY 0.001491 -0.000169 -0.000001 -0.000952 -0.000119 12 C 1 ZZ -0.001015 0.000236 -0.000369 0.001591 0.000144 13 C 1 XY -0.005276 0.000103 0.000468 0.001534 -0.000877 14 C 1 XZ -0.000865 0.000062 -0.000372 0.000887 0.000057 15 C 1 YZ -0.000517 0.000231 -0.000407 0.000910 0.000122 16 C 2 S 0.001404 0.000049 -0.000334 0.000108 0.000721 17 C 2 S -0.005701 0.002698 0.001834 0.004109 0.002217 18 C 2 S -0.022960 0.000642 -0.000406 -0.012826 -0.011464 19 C 2 X 0.015081 0.002906 -0.032705 0.050915 0.030956 20 C 2 Y 0.154369 -0.004506 0.011442 -0.059050 0.011321 21 C 2 Z 0.003016 0.004423 0.000039 0.003039 -0.001264 22 C 2 X -0.000455 -0.000506 -0.012610 0.003766 0.008317 23 C 2 Y 0.040281 -0.004785 0.002249 -0.031711 0.004139 24 C 2 Z 0.002991 0.003519 0.000401 -0.003641 -0.000179 25 C 2 XX -0.004572 0.000600 -0.002157 0.005186 0.001167 26 C 2 YY 0.005280 -0.000717 0.002269 -0.005435 -0.000765 27 C 2 ZZ -0.000708 0.000117 -0.000113 0.000249 -0.000402 28 C 2 XY -0.003365 0.000047 0.000363 0.000995 -0.000497 29 C 2 XZ -0.000176 -0.000183 -0.000031 0.000202 -0.000033 30 C 2 YZ -0.000904 0.001039 -0.000390 0.001293 -0.000497 31 C 3 S -0.000556 -0.000121 0.000674 0.001926 0.000068 32 C 3 S 0.042399 -0.003464 0.010110 -0.013769 -0.008201 33 C 3 S 0.035132 -0.004286 -0.008170 -0.071544 0.009276 34 C 3 X 0.030943 0.001824 0.000898 0.003406 0.011082 35 C 3 Y -0.105697 0.001233 -0.015092 0.062880 -0.004808 36 C 3 Z -0.023294 0.020616 -0.007172 0.034545 -0.003920 37 C 3 X 0.045042 0.010384 0.019329 0.028901 -0.003142 38 C 3 Y -0.050506 0.000503 -0.020200 -0.001371 0.000283 39 C 3 Z -0.001526 0.007621 -0.000491 0.012173 -0.000705 40 C 3 XX -0.006087 0.000059 -0.002369 0.001360 0.002234 41 C 3 YY 0.007219 0.000215 0.002078 -0.001927 -0.001425 42 C 3 ZZ -0.001132 -0.000274 0.000291 0.000567 -0.000809 43 C 3 XY -0.004926 -0.000762 0.002881 -0.005173 -0.001658 44 C 3 XZ -0.002597 -0.000792 -0.000254 0.000858 0.001009 45 C 3 YZ -0.001635 0.000647 -0.000470 0.001637 -0.001014 46 C 4 S 0.002750 -0.000021 0.000624 -0.002055 0.000318 47 C 4 S -0.072307 0.003562 -0.005381 0.003251 -0.009232 48 C 4 S -0.115894 0.007129 -0.017482 0.040515 -0.013681 49 C 4 X -0.016944 0.002971 -0.021042 0.029375 0.009232 50 C 4 Y 0.033143 -0.010490 0.031773 -0.096103 -0.017366 51 C 4 Z -0.078319 0.020418 -0.026008 0.079026 -0.011568 52 C 4 X -0.009301 0.000918 -0.019356 0.009458 0.012146 53 C 4 Y 0.028924 0.001956 0.030919 -0.058234 -0.012622 54 C 4 Z -0.037464 0.011277 -0.017263 0.044465 -0.007214 55 C 4 XX -0.006623 0.000674 -0.001975 0.007941 0.000484 56 C 4 YY 0.006475 -0.000012 0.001936 -0.006166 -0.000318 57 C 4 ZZ 0.000148 -0.000662 0.000040 -0.001775 -0.000166 58 C 4 XY 0.005589 0.000213 0.000304 0.000618 -0.001387 59 C 4 XZ -0.000073 -0.001762 0.000472 -0.002040 0.000248 60 C 4 YZ -0.004246 0.000345 -0.001158 0.003311 -0.000366 61 S 5 S 0.000499 -0.000017 0.000085 -0.000393 0.000011 62 S 5 S 0.003209 -0.000073 0.000686 -0.002582 0.000033 63 S 5 S -0.022220 0.002771 0.003495 0.014405 -0.000710 64 S 5 S -0.047473 0.005853 0.006688 0.031537 -0.004823 65 S 5 X -0.000081 -0.000018 -0.000617 0.000644 0.000389 66 S 5 Y 0.002051 -0.000044 0.000882 -0.001791 -0.000410 67 S 5 Z 0.000700 -0.000073 0.000539 -0.000964 -0.000159 68 S 5 X -0.002792 -0.000493 0.011724 -0.011097 -0.009423 69 S 5 Y -0.059081 0.005519 -0.025752 0.057688 0.013610 70 S 5 Z -0.033939 0.005868 -0.017402 0.042172 0.003059 71 S 5 X 0.001606 -0.000913 0.005549 -0.005792 -0.003287 72 S 5 Y -0.025320 0.000756 -0.010235 0.025363 0.005025 73 S 5 Z -0.016714 0.003602 -0.010191 0.025437 0.001904 74 S 5 XX -0.003298 0.000720 -0.003615 0.007259 0.003122 75 S 5 YY 0.006483 -0.001154 0.004088 -0.010294 -0.002899 76 S 5 ZZ -0.003185 0.000434 -0.000473 0.003035 -0.000223 77 S 5 XY 0.015685 -0.000923 0.005095 -0.011330 -0.001683 78 S 5 XZ 0.006267 -0.001291 0.003132 -0.007845 -0.000725 79 S 5 YZ -0.004101 0.000260 -0.001308 0.003071 0.000102 80 S 5 XX -0.000549 0.000108 -0.000628 0.001336 0.000544 81 S 5 YY 0.001276 -0.000201 0.000759 -0.001982 -0.000527 82 S 5 ZZ -0.000727 0.000093 -0.000132 0.000646 -0.000018 83 S 5 XY 0.002820 -0.000183 0.000965 -0.002085 -0.000333 84 S 5 XZ 0.001189 -0.000201 0.000598 -0.001382 -0.000133 85 S 5 YZ -0.000857 0.000082 -0.000302 0.000616 0.000034 86 H 6 S -0.106030 0.002782 0.012768 0.010419 -0.021574 87 H 6 S -0.039144 -0.003477 0.004916 -0.009940 -0.004584 88 H 6 X -0.006786 0.000279 -0.000230 0.002083 -0.001326 89 H 6 Y -0.004620 -0.000022 0.001423 -0.001166 -0.001136 90 H 6 Z -0.000141 0.000183 -0.000002 0.000200 -0.000251 91 C 7 S 0.001065 -0.000325 0.001244 0.001566 -0.000106 92 C 7 S -0.042510 -0.004245 0.012943 -0.030687 0.004795 93 C 7 S -0.041720 0.031237 -0.000112 -0.062324 -0.013385 94 C 7 X -0.090723 -0.004552 0.008324 -0.014977 -0.000683 95 C 7 Y -0.107239 -0.003313 0.004879 -0.031322 -0.015288 96 C 7 Z 0.007457 0.021065 0.005216 0.001780 -0.012908 97 C 7 X -0.048543 -0.004634 0.019065 -0.006504 0.010540 98 C 7 Y -0.070668 -0.027458 0.008997 -0.006808 -0.008711 99 C 7 Z 0.008939 0.010756 0.003457 0.000201 -0.008717 100 C 7 XX 0.006496 0.001344 -0.001334 0.003207 -0.002145 101 C 7 YY -0.009215 -0.000722 0.001630 -0.003899 0.001078 102 C 7 ZZ 0.002719 -0.000622 -0.000296 0.000692 0.001067 103 C 7 XY 0.003653 0.002811 -0.003059 0.009383 -0.000550 104 C 7 XZ -0.001709 -0.001460 0.000295 -0.002236 -0.000290 105 C 7 YZ -0.000765 -0.000919 0.001206 -0.003106 -0.000446 106 C 8 S -0.000661 0.000326 0.000031 0.000224 0.000265 107 C 8 S 0.027023 -0.002334 0.003230 -0.025017 0.001578 108 C 8 S 0.041476 -0.010311 0.005438 -0.023461 0.000694 109 C 8 X -0.057021 -0.020526 0.027703 -0.093016 0.004182 110 C 8 Y 0.148481 -0.004951 0.010295 -0.030927 0.025139 111 C 8 Z 0.008849 -0.001797 0.013884 -0.037459 -0.004993 112 C 8 X -0.042073 -0.006904 0.019392 -0.052898 0.005373 113 C 8 Y 0.071771 0.000196 0.003720 -0.004953 0.015348 114 C 8 Z 0.003640 -0.001076 0.005895 -0.019506 -0.001243 115 C 8 XX 0.003009 -0.000491 0.000868 -0.001787 0.000523 116 C 8 YY -0.000913 0.000511 -0.000904 0.001546 -0.000567 117 C 8 ZZ -0.002096 -0.000020 0.000036 0.000241 0.000044 118 C 8 XY -0.003066 0.000623 -0.000600 -0.000234 -0.000805 119 C 8 XZ -0.000239 -0.000112 -0.000248 0.000183 0.000070 120 C 8 YZ 0.000787 0.000166 -0.000674 0.001766 0.000135 121 C 9 S -0.001481 0.000678 0.000384 -0.000360 -0.000133 122 C 9 S 0.071458 -0.002581 0.002879 -0.016561 0.005446 123 C 9 S 0.082172 -0.020007 -0.015782 0.010972 0.005743 124 C 9 X 0.069753 0.020981 -0.027430 0.072951 -0.009596 125 C 9 Y -0.039216 0.024527 -0.040948 0.128229 -0.000591 126 C 9 Z -0.045523 0.005977 0.013918 -0.030331 -0.024106 127 C 9 X 0.047248 0.017227 -0.013752 0.045769 -0.005028 128 C 9 Y -0.020176 0.012259 -0.025404 0.080905 -0.002190 129 C 9 Z -0.020697 -0.008347 0.001155 -0.014331 -0.010154 130 C 9 XX 0.003370 -0.000519 -0.000461 0.003919 0.001994 131 C 9 YY -0.004586 -0.000217 0.000020 -0.001783 -0.001749 132 C 9 ZZ 0.001216 0.000735 0.000441 -0.002136 -0.000245 133 C 9 XY 0.008710 0.001458 -0.002000 0.007578 -0.000859 134 C 9 XZ 0.000733 -0.001044 -0.000483 0.000162 0.000061 135 C 9 YZ 0.000487 0.000526 -0.000294 0.002109 0.000391 136 C 10 S -0.001107 -0.000032 0.000635 -0.003930 -0.000165 137 C 10 S 0.062407 0.015262 -0.017609 0.045537 -0.011217 138 C 10 S 0.047290 0.001692 -0.014869 0.080559 -0.006170 139 C 10 X 0.041392 0.004940 -0.005873 0.043902 0.034161 140 C 10 Y 0.052167 -0.001434 0.011336 -0.059690 -0.017095 141 C 10 Z -0.014898 0.030558 0.001513 0.014130 -0.009690 142 C 10 X -0.003193 -0.033478 0.007223 0.026139 0.011207 143 C 10 Y 0.003700 -0.003906 0.017873 -0.024634 0.023408 144 C 10 Z -0.011286 0.025894 -0.009090 -0.001118 -0.006488 145 C 10 XX 0.004172 -0.000521 0.001132 -0.005084 -0.001904 146 C 10 YY -0.004272 0.001233 -0.002015 0.004501 0.001378 147 C 10 ZZ 0.000100 -0.000712 0.000883 0.000584 0.000526 148 C 10 XY 0.002485 -0.003240 0.000209 -0.005983 0.003015 149 C 10 XZ -0.002613 0.002432 0.004332 0.000167 -0.003126 150 C 10 YZ -0.000151 -0.001031 -0.000126 -0.001388 -0.000686 151 C 11 S -0.000419 -0.000938 -0.000454 -0.003265 -0.001017 152 C 11 S -0.051463 -0.000870 -0.018158 0.011163 0.014025 153 C 11 S -0.018330 0.015820 0.017441 0.053558 0.017550 154 C 11 X -0.001883 0.001201 -0.004429 0.066411 -0.020655 155 C 11 Y 0.005453 0.008891 -0.013928 0.084867 0.009189 156 C 11 Z -0.005498 0.030570 -0.002487 0.028079 -0.004820 157 C 11 X 0.019659 0.005003 0.009917 0.066486 -0.009858 158 C 11 Y -0.025800 -0.000526 -0.007623 0.011948 0.031514 159 C 11 Z 0.003437 0.021090 -0.001490 0.017806 -0.001109 160 C 11 XX -0.005851 -0.002209 0.001320 -0.007611 -0.001796 161 C 11 YY 0.004999 0.001976 -0.001942 0.006509 0.001156 162 C 11 ZZ 0.000851 0.000233 0.000621 0.001102 0.000640 163 C 11 XY 0.000504 0.002018 -0.001876 0.000944 0.003968 164 C 11 XZ -0.000414 0.002459 0.001974 0.000630 0.003671 165 C 11 YZ -0.000074 0.001896 0.001247 0.000782 0.000184 166 C 12 S -0.001998 0.001294 -0.001150 -0.001958 0.001770 167 C 12 S -0.007781 -0.003965 0.002625 -0.024623 -0.011901 168 C 12 S 0.012072 -0.035258 0.012124 -0.017134 -0.043872 169 C 12 X 0.004745 0.013764 -0.007104 -0.008824 -0.025327 170 C 12 Y -0.010543 0.031666 0.004116 0.066502 0.024969 171 C 12 Z 0.016714 -0.036076 -0.062367 0.030123 0.050256 172 C 12 X -0.008119 -0.002318 0.001986 -0.003857 -0.015242 173 C 12 Y 0.003538 0.009077 -0.022536 0.000002 0.018713 174 C 12 Z -0.006226 0.018694 0.031576 0.010953 -0.001510 175 C 12 XX 0.007882 -0.000466 0.000151 -0.001725 -0.007637 176 C 12 YY -0.005477 0.012351 0.024698 -0.004442 -0.013699 177 C 12 ZZ -0.002405 -0.011885 -0.024850 0.006167 0.021336 178 C 12 XY 0.003666 -0.007674 -0.003538 -0.003145 0.002741 179 C 12 XZ -0.012061 0.013245 0.009179 -0.001595 -0.005564 180 C 12 YZ 0.002572 -0.007496 -0.015102 -0.015995 0.004786 181 C 13 S 0.000456 -0.000338 -0.002055 -0.000057 -0.000522 182 C 13 S -0.002942 -0.000870 0.007034 -0.037147 -0.005207 183 C 13 S -0.014013 0.014791 0.032504 -0.076381 -0.002085 184 C 13 X -0.015174 0.018937 0.010993 -0.100119 -0.011765 185 C 13 Y 0.000917 0.007967 0.001332 0.005817 -0.027881 186 C 13 Z -0.009316 -0.061577 0.044239 -0.061459 -0.007841 187 C 13 X -0.000240 -0.007365 0.022553 -0.016769 0.001765 188 C 13 Y -0.016293 -0.005203 0.008160 0.000697 -0.008585 189 C 13 Z -0.004626 0.017859 -0.017738 -0.016846 -0.004715 190 C 13 XX -0.002277 -0.030925 0.018845 0.000739 0.003591 191 C 13 YY 0.001158 -0.000524 0.005214 -0.007457 -0.002901 192 C 13 ZZ 0.001119 0.031449 -0.024059 0.006718 -0.000690 193 C 13 XY 0.010084 -0.001270 0.002348 0.005540 -0.007131 194 C 13 XZ -0.002660 0.001634 -0.002771 -0.022781 -0.005744 195 C 13 YZ -0.011176 -0.004832 0.000404 -0.004456 0.008448 196 C 14 S 0.001893 0.001396 -0.000578 -0.001564 -0.002030 197 C 14 S 0.000423 -0.004495 0.002563 -0.034991 0.003266 198 C 14 S -0.025306 -0.024904 0.006923 -0.031677 0.027416 199 C 14 X -0.005562 0.014238 -0.005623 -0.031656 0.018490 200 C 14 Y -0.033067 -0.028298 0.011326 -0.109727 0.008144 201 C 14 Z 0.003559 -0.038903 -0.038846 0.031417 -0.060162 202 C 14 X 0.000972 0.006860 -0.009077 -0.002808 0.010357 203 C 14 Y 0.004884 -0.011082 0.005017 -0.004861 0.016525 204 C 14 Z 0.006588 0.019868 0.022193 0.001717 0.023044 205 C 14 XX -0.010346 -0.006188 -0.000294 -0.011464 0.002887 206 C 14 YY -0.004635 0.007710 0.010724 -0.012430 0.014175 207 C 14 ZZ 0.014981 -0.001522 -0.010430 0.023894 -0.017062 208 C 14 XY -0.001940 0.001581 -0.001957 -0.000388 -0.000418 209 C 14 XZ 0.010074 0.014511 0.003361 -0.005865 0.008354 210 C 14 YZ 0.001744 0.013330 0.014988 0.010794 0.028082 211 F 15 S 0.000023 0.000002 0.001697 -0.000719 -0.001257 212 F 15 S -0.001248 -0.000181 0.008357 -0.004381 -0.007239 213 F 15 S -0.003559 0.001967 0.001300 -0.003083 -0.005268 214 F 15 X -0.160031 0.088633 0.041686 -0.019598 0.012229 215 F 15 Y -0.004647 -0.139710 -0.275605 -0.181865 0.169960 216 F 15 Z -0.064597 0.130139 0.182695 -0.031456 -0.133133 217 F 15 X -0.110552 0.058222 0.031008 -0.013828 0.009590 218 F 15 Y -0.004804 -0.102755 -0.191831 -0.131799 0.113906 219 F 15 Z -0.043487 0.089706 0.126404 -0.022385 -0.091480 220 F 15 XX -0.001744 0.002073 0.001713 -0.000868 -0.001436 221 F 15 YY -0.000277 0.002274 0.003638 -0.000023 -0.002495 222 F 15 ZZ 0.002021 -0.004347 -0.005352 0.000891 0.003930 223 F 15 XY 0.000244 -0.000811 -0.002048 -0.000906 0.001156 224 F 15 XZ 0.002609 -0.000566 0.000529 0.000042 -0.001104 225 F 15 YZ 0.000296 0.002214 0.004439 0.003009 -0.002998 226 F 16 S 0.000388 -0.000662 -0.001115 -0.000991 0.000046 227 F 16 S 0.002323 -0.003451 -0.004582 -0.002352 0.000253 228 F 16 S 0.000399 -0.003111 -0.000385 0.004162 0.002828 229 F 16 X 0.010859 -0.071054 -0.051944 0.027655 0.066095 230 F 16 Y 0.059621 -0.022174 0.048791 -0.049122 -0.069961 231 F 16 Z 0.000454 0.190826 0.353922 0.036500 -0.242010 232 F 16 X 0.007521 -0.049631 -0.036478 0.021265 0.047761 233 F 16 Y 0.041000 -0.016449 0.036495 -0.035778 -0.052033 234 F 16 Z -0.000766 0.129953 0.245053 0.023850 -0.169280 235 F 16 XX 0.000694 -0.001636 -0.001632 -0.000703 0.000710 236 F 16 YY -0.001499 0.000154 -0.001953 0.000618 0.002069 237 F 16 ZZ 0.000805 0.001482 0.003585 0.000085 -0.002779 238 F 16 XY 0.000330 0.000759 0.001179 -0.000947 -0.001405 239 F 16 XZ -0.000108 0.000943 0.001727 0.000761 -0.000927 240 F 16 YZ 0.000877 -0.003880 -0.005838 -0.001828 0.003254 241 F 17 S -0.000630 -0.000900 -0.000520 -0.001215 -0.000948 242 F 17 S -0.001005 -0.004328 -0.002758 -0.004202 -0.003385 243 F 17 S 0.005680 -0.001766 -0.001715 0.003157 -0.001816 244 F 17 X -0.044188 -0.078909 -0.038688 0.090798 -0.078594 245 F 17 Y 0.099176 0.006222 -0.077430 0.129235 -0.155728 246 F 17 Z -0.044609 0.154176 0.186988 -0.031369 0.369448 247 F 17 X -0.030058 -0.055399 -0.025828 0.065876 -0.055360 248 F 17 Y 0.069362 0.006394 -0.055189 0.092865 -0.111559 249 F 17 Z -0.028998 0.105449 0.128864 -0.022454 0.256824 250 F 17 XX -0.000876 -0.001541 -0.000730 -0.001199 -0.001466 251 F 17 YY 0.002065 -0.000592 -0.002347 0.001920 -0.004775 252 F 17 ZZ -0.001189 0.002133 0.003077 -0.000722 0.006241 253 F 17 XY -0.000316 -0.001078 -0.000867 0.001518 -0.001572 254 F 17 XZ -0.000460 -0.000133 -0.000026 0.001171 0.000330 255 F 17 YZ 0.001246 0.003280 0.002075 0.002090 0.004237 256 F 18 S -0.000709 0.000001 0.001189 -0.001638 0.001401 257 F 18 S -0.003601 -0.000763 0.005434 -0.008294 0.007949 258 F 18 S -0.000081 -0.000025 -0.000963 -0.001323 0.005901 259 F 18 X 0.210153 0.108484 -0.016287 0.028505 -0.025173 260 F 18 Y 0.043974 0.100107 0.104602 0.177163 0.288310 261 F 18 Z 0.046650 0.155139 0.130792 -0.041631 0.266999 262 F 18 X 0.145880 0.071282 -0.009785 0.019465 -0.017398 263 F 18 Y 0.030582 0.074699 0.074494 0.129166 0.200376 264 F 18 Z 0.031501 0.108845 0.091866 -0.029005 0.184149 265 F 18 XX 0.001711 0.002174 0.000545 -0.001396 0.001342 266 F 18 YY -0.000150 0.002503 0.002844 0.000135 0.005905 267 F 18 ZZ -0.001561 -0.004677 -0.003389 0.001261 -0.007247 268 F 18 XY 0.001567 0.000924 0.000645 0.001009 0.001623 269 F 18 XZ -0.003622 -0.000641 0.001283 -0.001107 0.002252 270 F 18 YZ -0.000513 -0.000071 -0.000312 -0.003341 -0.002379 271 C 19 S 0.002015 -0.000410 0.000642 -0.001613 0.000497 272 C 19 S -0.018095 0.001750 -0.002236 0.007619 -0.001960 273 C 19 S -0.024620 0.003847 -0.008241 0.015495 -0.007718 274 C 19 X -0.127636 -0.006397 0.009186 -0.025427 -0.014381 275 C 19 Y -0.032543 0.020253 -0.032673 0.113458 -0.012439 276 C 19 Z -0.012332 0.001882 0.006766 -0.015311 -0.009899 277 C 19 X -0.045748 -0.002384 0.003212 -0.007989 -0.005531 278 C 19 Y -0.013124 0.007692 -0.011237 0.044102 -0.003236 279 C 19 Z -0.005586 0.001187 0.003783 -0.006407 -0.004508 280 C 19 XX -0.001782 -0.000296 0.000850 -0.002268 -0.000084 281 C 19 YY 0.002611 -0.000953 0.001193 -0.004660 0.000719 282 C 19 ZZ -0.000829 0.001250 -0.002043 0.006928 -0.000635 283 C 19 XY 0.008683 -0.000622 0.001182 -0.004464 0.001435 284 C 19 XZ 0.001244 -0.000162 -0.000302 0.000442 0.000632 285 C 19 YZ 0.000904 -0.000310 0.000474 -0.001816 0.000192 286 H 20 S -0.108643 -0.007706 0.012145 -0.036115 -0.010957 287 H 20 S -0.033082 -0.002609 0.004579 -0.012647 -0.003153 288 H 20 X 0.007446 0.000535 -0.000789 0.002457 0.000740 289 H 20 Y -0.003391 0.000409 -0.000677 0.002345 -0.000595 290 H 20 Z -0.000119 0.000042 0.000169 -0.000492 -0.000252 291 H 21 S -0.003091 0.011751 -0.024693 0.079629 0.000160 292 H 21 S -0.003055 0.003930 -0.007763 0.025974 -0.000641 293 H 21 X -0.003638 -0.000030 -0.000068 0.000355 -0.000342 294 H 21 Y 0.000099 -0.000195 0.000590 -0.001805 -0.000287 295 H 21 Z -0.000572 0.000985 -0.001728 0.005726 -0.000251 296 C 22 S -0.000996 -0.000103 0.000415 -0.000479 -0.000693 297 C 22 S 0.004584 0.000971 -0.002667 0.006221 0.003291 298 C 22 S 0.016094 0.001690 -0.005710 0.002180 0.009197 299 C 22 X 0.064294 -0.001462 0.017622 -0.041755 -0.000029 300 C 22 Y 0.009739 -0.008851 0.031018 -0.078915 -0.035128 301 C 22 Z -0.009338 0.002065 -0.005077 0.013052 -0.000353 302 C 22 X 0.020807 -0.000245 0.006992 -0.013461 -0.000525 303 C 22 Y 0.004270 -0.002627 0.011012 -0.029920 -0.012619 304 C 22 Z -0.002991 0.001240 -0.002384 0.004888 0.000033 305 C 22 XX -0.001527 0.000278 -0.001387 0.003240 0.001196 306 C 22 YY -0.002210 -0.000380 0.001072 -0.002464 -0.001959 307 C 22 ZZ 0.003737 0.000103 0.000315 -0.000776 0.000763 308 C 22 XY 0.000318 0.000484 -0.001416 0.004049 0.002024 309 C 22 XZ -0.000088 0.000132 -0.000305 0.000849 0.000169 310 C 22 YZ -0.000661 0.000077 -0.000102 0.000150 -0.000184 311 H 23 S -0.040249 0.006893 -0.030773 0.076994 0.023941 312 H 23 S -0.013267 0.002943 -0.009950 0.027392 0.007302 313 H 23 X -0.000695 0.000446 -0.001651 0.004072 0.001661 314 H 23 Y -0.002478 0.000297 -0.001418 0.003544 0.000787 315 H 23 Z -0.000383 0.000066 -0.000209 0.000595 0.000041 316 H 24 S 0.027677 0.002483 -0.000241 0.001897 0.006624 317 H 24 S 0.007619 0.001131 -0.000765 0.002664 0.002807 318 H 24 X 0.000362 -0.000241 0.000642 -0.001690 -0.000520 319 H 24 Y 0.000775 -0.000189 0.000804 -0.002069 -0.000758 320 H 24 Z -0.002476 -0.000152 -0.000147 0.000249 -0.000521 321 H 25 S 0.038260 -0.001164 0.008567 -0.021183 0.004243 322 H 25 S 0.012045 -0.000615 0.002666 -0.006830 0.001917 323 H 25 X -0.000030 -0.000020 0.000180 -0.000479 -0.000355 324 H 25 Y 0.000538 -0.000235 0.000857 -0.002149 -0.000830 325 H 25 Z 0.002968 -0.000041 0.000567 -0.001296 0.000361 326 C 26 S 0.001516 -0.000692 0.000098 0.000517 0.000433 327 C 26 S -0.022286 0.004923 0.001019 0.001414 -0.005205 328 C 26 S -0.028234 0.009389 -0.002049 -0.006387 -0.004826 329 C 26 X 0.037922 0.021447 -0.014705 0.045422 -0.006611 330 C 26 Y -0.012327 0.015703 -0.031819 0.090924 0.006234 331 C 26 Z 0.086007 -0.014924 0.002334 -0.021796 0.022609 332 C 26 X 0.010812 0.002802 -0.005208 0.020345 -0.004254 333 C 26 Y 0.001200 -0.000851 -0.009404 0.034051 0.001321 334 C 26 Z 0.035068 -0.010312 0.000643 -0.008688 0.007925 335 C 26 XX -0.003036 0.000482 0.000826 -0.001868 -0.001101 336 C 26 YY -0.005183 0.000982 -0.000874 0.003033 -0.000669 337 C 26 ZZ 0.008220 -0.001464 0.000048 -0.001165 0.001771 338 C 26 XY -0.000104 -0.000547 0.000930 -0.003797 0.000400 339 C 26 XZ 0.001463 0.000503 -0.000806 0.001400 -0.000006 340 C 26 YZ 0.002632 -0.000068 -0.000278 0.000335 0.000667 341 H 27 S -0.043726 -0.016484 0.025738 -0.070794 -0.006707 342 H 27 S -0.010968 -0.018886 0.010030 -0.012336 -0.007190 343 H 27 X -0.002159 -0.001407 0.001800 -0.003412 -0.001016 344 H 27 Y -0.003750 -0.001195 0.000849 -0.001359 -0.000626 345 H 27 Z 0.001014 -0.000809 0.000525 -0.001448 0.000185 346 H 28 S -0.063372 0.017207 -0.021363 0.067603 -0.006962 347 H 28 S -0.017990 0.005764 -0.007134 0.019630 -0.001477 348 H 28 X -0.000081 0.001176 -0.000823 0.002410 -0.000260 349 H 28 Y 0.005116 -0.000924 0.000892 -0.003284 0.000785 350 H 28 Z -0.000910 0.000580 -0.000870 0.002062 0.000254 351 H 29 S -0.004765 0.017464 -0.000468 0.010445 -0.015442 352 H 29 S -0.000153 0.005998 0.000916 0.000467 -0.004470 353 H 29 X 0.001243 -0.000908 -0.000373 0.000410 0.001263 354 H 29 Y -0.000862 0.001519 -0.001099 0.003065 -0.000421 355 H 29 Z 0.001330 0.000290 0.000118 -0.000448 0.000150 356 C 30 S -0.001909 0.000904 -0.000184 0.001634 -0.000188 357 C 30 S 0.026056 -0.005831 0.003486 -0.011530 0.003424 358 C 30 S 0.035511 -0.014251 0.001856 -0.027079 0.004594 359 C 30 X -0.000994 -0.011334 -0.015049 0.006810 0.012027 360 C 30 Y 0.037829 -0.008617 0.032062 -0.085399 -0.013043 361 C 30 Z 0.097307 -0.016197 0.015413 -0.039845 0.019542 362 C 30 X -0.000485 -0.001486 -0.000198 0.004051 0.003533 363 C 30 Y 0.015339 -0.006176 0.004839 -0.030836 -0.004417 364 C 30 Z 0.035170 -0.005969 0.001207 -0.010823 0.006294 365 C 30 XX 0.005816 -0.001081 0.001564 -0.004670 0.000084 366 C 30 YY 0.003262 -0.000330 -0.000355 0.001036 0.001323 367 C 30 ZZ -0.009078 0.001411 -0.001209 0.003634 -0.001407 368 C 30 XY -0.000122 -0.000407 -0.000183 -0.000175 0.000427 369 C 30 XZ -0.000466 -0.000038 0.000163 -0.000296 -0.000006 370 C 30 YZ -0.003311 0.000613 -0.000319 0.001774 -0.000593 371 H 31 S 0.030677 -0.005104 -0.015264 0.036874 0.020415 372 H 31 S 0.011354 -0.002690 -0.006408 0.009702 0.007043 373 H 31 X -0.000326 -0.000410 -0.000497 0.000041 0.000279 374 H 31 Y 0.003785 -0.000684 -0.000343 0.001011 0.001453 375 H 31 Z 0.000271 0.000022 0.001095 -0.002144 -0.000502 376 H 32 S 0.053224 -0.001609 0.028884 -0.054261 -0.007072 377 H 32 S 0.014286 0.007039 0.022411 -0.014567 -0.001086 378 H 32 X 0.004535 -0.000247 0.002794 -0.004599 -0.000071 379 H 32 Y -0.001960 -0.000312 -0.000849 0.000276 -0.000234 380 H 32 Z 0.000792 -0.000484 -0.000684 0.000515 0.000529 381 H 33 S 0.050916 -0.018325 0.010239 -0.050243 0.007938 382 H 33 S 0.016403 -0.006958 0.003782 -0.018440 0.003335 383 H 33 X -0.004410 0.001109 -0.001553 0.004496 -0.000271 384 H 33 Y -0.002085 0.000991 0.000608 0.000333 -0.000940 385 H 33 Z 0.001086 0.000199 0.000259 0.000108 0.000320 386 H 34 S -0.006823 0.011675 -0.011433 0.043855 -0.010386 387 H 34 S -0.002645 0.003138 -0.004374 0.014864 -0.003330 388 H 34 X -0.003751 0.000048 0.000092 -0.000065 -0.000605 389 H 34 Y 0.000085 0.000068 -0.000425 0.001200 0.000164 390 H 34 Z 0.000387 -0.000971 0.001183 -0.004273 0.000628 391 F 35 S -0.000238 0.001025 -0.000402 -0.001617 -0.000190 392 F 35 S -0.000765 0.006055 -0.002229 -0.006278 -0.001032 393 F 35 S 0.001161 0.006407 -0.002495 0.001843 -0.000935 394 F 35 X 0.032260 0.037201 -0.051233 0.090712 0.001946 395 F 35 Y -0.161885 -0.053988 0.010703 -0.011862 0.078293 396 F 35 Z -0.003013 0.414126 -0.279870 -0.053961 -0.035295 397 F 35 X 0.022879 0.028377 -0.039591 0.066875 0.000983 398 F 35 Y -0.107653 -0.036342 0.006473 -0.008008 0.054396 399 F 35 Z -0.001784 0.285322 -0.193335 -0.034286 -0.023792 400 F 35 XX 0.001006 0.001885 -0.002207 0.001999 -0.000150 401 F 35 YY -0.000851 0.000807 -0.000252 -0.001533 -0.000069 402 F 35 ZZ -0.000155 -0.002693 0.002459 -0.000466 0.000219 403 F 35 XY -0.002774 -0.000961 0.000132 0.000224 0.001058 404 F 35 XZ -0.000541 0.008044 -0.004822 -0.002960 -0.000876 405 F 35 YZ 0.001324 0.001074 -0.000572 -0.000158 -0.000546 406 F 36 S -0.000451 -0.000692 0.001876 -0.001906 0.000050 407 F 36 S -0.002676 -0.003154 0.009591 -0.007671 0.000884 408 F 36 S -0.001087 -0.005281 0.001190 0.003676 0.001248 409 F 36 X 0.034971 -0.290240 0.177743 0.260746 0.069880 410 F 36 Y 0.142880 -0.012872 0.047186 0.021107 -0.084095 411 F 36 Z 0.028179 0.157397 -0.103724 0.071667 -0.008464 412 F 36 X 0.025166 -0.202736 0.122155 0.187886 0.048543 413 F 36 Y 0.098483 -0.009341 0.030978 0.013793 -0.051530 414 F 36 Z 0.019703 0.107829 -0.069964 0.053501 -0.004115 415 F 36 XX -0.000260 -0.003419 0.002348 -0.000810 0.000130 416 F 36 YY -0.000544 -0.001862 0.000372 -0.001374 -0.000015 417 F 36 ZZ 0.000803 0.005281 -0.002720 0.002184 -0.000115 418 F 36 XY 0.000137 0.000411 -0.000191 -0.000377 0.000131 419 F 36 XZ 0.000681 -0.005873 0.003508 0.004448 0.001258 420 F 36 YZ 0.002748 -0.000745 0.001044 0.000143 -0.001658 421 C 37 S -0.000733 -0.000458 0.000006 0.000257 -0.000374 422 C 37 S -0.003169 0.000209 -0.002275 0.020532 -0.000119 423 C 37 S 0.021257 0.006765 0.001250 0.005324 0.007027 424 C 37 X 0.038619 -0.028347 0.044182 -0.105637 0.026495 425 C 37 Y -0.118905 -0.013213 0.014100 -0.055131 -0.009778 426 C 37 Z -0.029393 -0.005170 0.016303 -0.046957 -0.008719 427 C 37 X 0.010460 -0.017476 0.014222 -0.029307 0.007844 428 C 37 Y -0.025391 -0.003154 -0.000374 -0.008212 -0.003064 429 C 37 Z -0.005039 -0.002076 0.007017 -0.016146 -0.004431 430 C 37 XX 0.001320 0.000714 -0.000238 0.002964 0.000608 431 C 37 YY -0.002305 -0.000086 -0.000034 -0.002144 -0.001053 432 C 37 ZZ 0.000985 -0.000628 0.000272 -0.000820 0.000445 433 C 37 XY 0.005815 0.001236 -0.001198 0.002677 -0.000005 434 C 37 XZ 0.002042 0.000367 -0.001587 0.003810 0.000844 435 C 37 YZ 0.000511 0.000247 0.000043 -0.000572 -0.000271 436 S 38 S -0.000197 -0.000037 -0.000086 0.000237 -0.000152 437 S 38 S -0.000649 -0.000361 -0.000433 0.001459 -0.000935 438 S 38 S 0.030696 -0.007455 0.009675 -0.010174 0.005029 439 S 38 S 0.053675 -0.000941 0.016604 -0.027856 0.016017 440 S 38 X -0.001222 -0.000587 0.000451 -0.001475 -0.000019 441 S 38 Y -0.003672 -0.000286 0.000100 -0.000620 -0.000336 442 S 38 Z -0.000201 -0.000223 -0.000319 0.000322 0.000278 443 S 38 X 0.052488 0.014427 -0.019076 0.057776 -0.000823 444 S 38 Y 0.125125 0.000161 -0.004989 0.029363 0.013195 445 S 38 Z 0.009752 0.006060 0.009680 -0.017667 -0.008570 446 S 38 X 0.014742 0.012681 -0.009436 0.026383 -0.000379 447 S 38 Y 0.055000 -0.003720 -0.000945 0.014852 0.004055 448 S 38 Z 0.003267 0.004905 0.009374 -0.013838 -0.008037 449 S 38 XX 0.025278 0.003080 -0.004441 0.014693 0.000945 450 S 38 YY -0.029923 -0.001946 0.003759 -0.013512 -0.001905 451 S 38 ZZ 0.004645 -0.001134 0.000683 -0.001181 0.000960 452 S 38 XY 0.008028 -0.001257 0.001785 -0.005107 0.001583 453 S 38 XZ 0.001198 -0.000425 0.000572 -0.002686 -0.000171 454 S 38 YZ -0.001045 -0.001747 -0.000977 0.000756 0.001206 455 S 38 XX 0.004796 0.000496 -0.000845 0.002605 0.000168 456 S 38 YY -0.005690 -0.000348 0.000690 -0.002392 -0.000357 457 S 38 ZZ 0.000894 -0.000149 0.000155 -0.000212 0.000189 458 S 38 XY 0.001240 -0.000220 0.000255 -0.001020 0.000230 459 S 38 XZ 0.000219 -0.000049 0.000126 -0.000412 -0.000055 460 S 38 YZ -0.000252 -0.000253 -0.000145 0.000150 0.000194 461 H 39 S 0.048446 -0.019343 0.031158 -0.060576 0.023932 462 H 39 S 0.015485 -0.003398 0.010080 -0.020451 0.008193 463 H 39 X -0.004206 0.001543 -0.002086 0.003819 -0.001756 464 H 39 Y -0.001775 -0.000645 0.001067 -0.002750 0.000192 465 H 39 Z -0.000893 -0.000127 0.000555 -0.001726 -0.000200 76 77 78 79 80 -0.6306 -0.6183 -0.6135 -0.6095 -0.5968 A A A A A 1 C 1 S 0.000448 0.000241 0.000013 -0.000795 0.000008 2 C 1 S -0.029442 0.022393 -0.037333 -0.040490 -0.010958 3 C 1 S -0.042962 0.011215 -0.040832 -0.024763 -0.004089 4 C 1 X -0.152467 -0.057085 -0.050430 0.083930 -0.040794 5 C 1 Y 0.073046 0.056608 0.071734 0.060179 -0.013758 6 C 1 Z 0.014424 0.006458 -0.015204 -0.001975 0.012528 7 C 1 X -0.077090 -0.020015 -0.023865 0.045007 -0.033752 8 C 1 Y 0.037041 0.035783 0.037005 0.038757 -0.011828 9 C 1 Z 0.009122 0.004022 -0.003796 -0.002214 0.006372 10 C 1 XX -0.000785 -0.000803 0.001783 0.006300 -0.002078 11 C 1 YY -0.000343 0.001154 -0.002564 -0.005535 0.001683 12 C 1 ZZ 0.001128 -0.000351 0.000781 -0.000765 0.000395 13 C 1 XY -0.002739 -0.008178 0.002768 0.003424 0.004581 14 C 1 XZ 0.000247 -0.000605 -0.001997 -0.000618 0.001673 15 C 1 YZ -0.000034 0.000509 -0.001628 -0.000220 -0.000412 16 C 2 S 0.001797 0.002760 -0.001760 -0.003296 0.000874 17 C 2 S 0.006888 -0.000728 0.024761 0.046267 -0.014950 18 C 2 S -0.023788 -0.022166 0.025336 0.053838 -0.032572 19 C 2 X 0.138552 0.102387 0.022494 -0.109719 0.025234 20 C 2 Y 0.037288 0.131902 0.007587 -0.002657 -0.045936 21 C 2 Z -0.011975 0.000934 -0.011135 0.013577 -0.001742 22 C 2 X 0.044068 0.046462 0.001452 -0.038671 -0.005678 23 C 2 Y 0.012972 0.047961 -0.005336 -0.010832 -0.015081 24 C 2 Z -0.003664 0.002398 -0.001159 0.003324 -0.002677 25 C 2 XX 0.006516 0.002937 0.001660 -0.006494 0.002169 26 C 2 YY -0.005337 -0.001416 -0.001163 0.006022 -0.002471 27 C 2 ZZ -0.001179 -0.001521 -0.000498 0.000472 0.000302 28 C 2 XY -0.002483 -0.009065 0.004519 0.012505 -0.000092 29 C 2 XZ -0.000245 -0.000977 -0.000728 0.000750 0.000578 30 C 2 YZ -0.002382 -0.000048 -0.002351 0.002356 -0.000064 31 C 3 S -0.000198 0.000941 -0.000001 -0.000107 -0.001514 32 C 3 S -0.035025 -0.000669 -0.008914 -0.046390 0.017519 33 C 3 S 0.025004 0.027756 -0.028125 -0.023019 0.018865 34 C 3 X 0.025637 -0.040505 0.045101 0.121176 -0.015069 35 C 3 Y -0.010929 -0.106997 0.006389 -0.051908 0.069527 36 C 3 Z -0.041690 -0.012515 -0.035862 0.043315 0.005877 37 C 3 X 0.001654 -0.021722 0.035628 0.015082 0.010971 38 C 3 Y 0.014923 -0.039526 -0.004170 -0.043481 0.036277 39 C 3 Z -0.013357 -0.005419 -0.009533 0.009881 0.002274 40 C 3 XX 0.005795 0.002511 -0.007848 -0.011595 0.003218 41 C 3 YY -0.004325 -0.002138 0.008879 0.010693 -0.003260 42 C 3 ZZ -0.001470 -0.000373 -0.001032 0.000902 0.000042 43 C 3 XY -0.007849 -0.010693 -0.003806 0.008865 -0.000308 44 C 3 XZ -0.000121 -0.002118 -0.003356 0.000842 0.001535 45 C 3 YZ -0.002771 0.000256 -0.001891 0.003558 -0.000012 46 C 4 S 0.001016 -0.000590 0.001844 -0.000706 0.001410 47 C 4 S -0.039690 0.009460 -0.042316 0.011474 -0.024803 48 C 4 S -0.068658 0.008625 -0.086893 0.042580 -0.051777 49 C 4 X 0.046650 0.084342 -0.040236 -0.085253 -0.022588 50 C 4 Y -0.047469 0.085405 0.031174 0.006225 -0.061543 51 C 4 Z -0.082768 0.031973 -0.128393 0.082602 0.012828 52 C 4 X 0.058791 0.052213 -0.026266 -0.077588 -0.000544 53 C 4 Y -0.035702 0.050032 0.019806 0.007614 -0.036733 54 C 4 Z -0.039721 0.012291 -0.086030 0.041050 0.014662 55 C 4 XX 0.002438 -0.005245 -0.000032 -0.006127 0.006197 56 C 4 YY -0.000850 0.007250 0.005813 0.004972 -0.004040 57 C 4 ZZ -0.001588 -0.002005 -0.005781 0.001155 -0.002157 58 C 4 XY -0.006719 -0.002016 0.001531 0.001998 -0.000763 59 C 4 XZ 0.002459 -0.001359 -0.000915 -0.001845 0.001838 60 C 4 YZ -0.001092 0.004760 0.002407 0.002483 0.000362 61 S 5 S -0.000070 0.000411 -0.000352 0.000019 -0.000494 62 S 5 S -0.000509 0.002188 -0.001818 0.000336 -0.002788 63 S 5 S 0.005063 -0.041754 0.040332 0.015402 0.038567 64 S 5 S -0.003098 -0.073948 0.065116 0.020385 0.070156 65 S 5 X 0.001351 0.001006 -0.000465 -0.000817 -0.000429 66 S 5 Y -0.002116 -0.000433 0.000253 0.002466 -0.000612 67 S 5 Z -0.000444 0.000033 0.001421 0.000296 -0.000436 68 S 5 X -0.036751 -0.036940 0.012959 0.031676 0.024892 69 S 5 Y 0.067927 0.011381 -0.004918 -0.089400 0.021401 70 S 5 Z 0.003014 0.000595 -0.070074 -0.000273 0.020083 71 S 5 X -0.014477 -0.022802 0.009451 0.020844 0.018023 72 S 5 Y 0.028477 0.003798 0.000437 -0.037568 0.009038 73 S 5 Z 0.000261 -0.004146 -0.047256 0.002469 0.015381 74 S 5 XX 0.013278 0.001758 0.002603 -0.006003 0.002107 75 S 5 YY -0.012281 0.001520 -0.002420 0.005772 -0.006211 76 S 5 ZZ -0.000997 -0.003278 -0.000183 0.000231 0.004104 77 S 5 XY -0.009144 0.001248 0.004952 0.017606 -0.002339 78 S 5 XZ -0.001132 -0.001095 0.009129 0.001205 -0.001620 79 S 5 YZ 0.000171 0.001901 -0.003285 -0.001803 -0.000495 80 S 5 XX 0.002283 0.000241 0.000558 -0.000993 0.000496 81 S 5 YY -0.002255 0.000373 -0.000500 0.001067 -0.001297 82 S 5 ZZ -0.000028 -0.000614 -0.000058 -0.000075 0.000802 83 S 5 XY -0.001741 0.000159 0.000952 0.003271 -0.000372 84 S 5 XZ -0.000285 -0.000217 0.001630 0.000242 -0.000322 85 S 5 YZ 0.000110 0.000375 -0.000810 -0.000366 -0.000029 86 H 6 S -0.095435 -0.143443 0.001373 0.099377 0.004855 87 H 6 S -0.028556 -0.045526 -0.007125 0.034954 0.004003 88 H 6 X -0.002840 -0.007056 0.000440 0.003370 0.001328 89 H 6 Y -0.006275 -0.007084 -0.000434 0.006888 -0.000842 90 H 6 Z -0.000573 -0.000303 -0.000326 0.000612 -0.000085 91 C 7 S 0.000361 0.000021 0.000260 -0.000785 -0.000947 92 C 7 S 0.027566 0.029242 -0.055064 -0.007993 0.018262 93 C 7 S -0.019530 -0.000708 -0.046505 -0.014511 0.033988 94 C 7 X 0.030985 -0.051791 0.071493 0.089170 0.047689 95 C 7 Y -0.022125 0.000036 0.042370 -0.073419 -0.024179 96 C 7 Z -0.058682 0.087062 0.013305 0.015113 -0.015316 97 C 7 X 0.031124 0.002379 0.014419 0.044800 0.019955 98 C 7 Y -0.004614 0.009474 0.029264 -0.056202 -0.013391 99 C 7 Z -0.033147 0.031272 0.012041 0.001490 -0.008948 100 C 7 XX -0.007190 0.002925 -0.005957 -0.004857 0.003749 101 C 7 YY 0.006595 -0.000297 0.006172 0.003308 -0.003919 102 C 7 ZZ 0.000595 -0.002628 -0.000215 0.001549 0.000170 103 C 7 XY -0.003217 0.006018 -0.002603 -0.001419 -0.001230 104 C 7 XZ 0.000627 0.003233 0.002411 0.000309 -0.001016 105 C 7 YZ 0.002019 -0.000485 0.002282 -0.001650 0.003161 106 C 8 S 0.000589 0.000023 -0.000225 -0.000564 -0.000626 107 C 8 S 0.003017 0.020417 -0.033142 -0.043802 -0.013563 108 C 8 S -0.000138 0.009033 -0.042458 -0.022383 0.001450 109 C 8 X 0.051892 -0.048681 -0.002164 -0.026466 -0.031217 110 C 8 Y 0.059370 -0.027755 -0.171154 0.032469 0.051477 111 C 8 Z -0.008692 0.077214 0.037075 0.023122 0.121031 112 C 8 X 0.037879 -0.037355 0.000772 -0.001106 -0.019341 113 C 8 Y 0.030415 -0.000890 -0.097512 0.008279 0.029273 114 C 8 Z -0.005105 0.047260 0.021393 0.012944 0.066679 115 C 8 XX 0.002960 -0.003715 0.002713 0.002788 -0.001099 116 C 8 YY -0.003305 0.004520 -0.004281 -0.002926 0.000309 117 C 8 ZZ 0.000345 -0.000805 0.001568 0.000138 0.000790 118 C 8 XY -0.002061 0.003635 -0.001547 -0.007721 -0.004836 119 C 8 XZ 0.000059 0.000248 0.000139 -0.000337 0.002700 120 C 8 YZ 0.000047 -0.000203 -0.000634 -0.001290 0.008436 121 C 9 S -0.001362 0.002096 -0.000573 0.001236 0.000187 122 C 9 S 0.016884 -0.029778 -0.001853 -0.028435 -0.008116 123 C 9 S 0.031510 -0.061696 0.002316 -0.064868 -0.010686 124 C 9 X -0.076182 0.082513 -0.030733 -0.076199 -0.048475 125 C 9 Y -0.037143 0.012999 -0.061929 0.035942 0.054634 126 C 9 Z -0.082491 0.147627 0.036249 0.070601 -0.011692 127 C 9 X -0.057904 0.051940 -0.023410 -0.024446 -0.028436 128 C 9 Y -0.036093 0.002466 -0.033977 0.033143 0.015883 129 C 9 Z -0.039617 0.096841 0.039268 0.040889 -0.000613 130 C 9 XX 0.004968 -0.001869 -0.006476 0.009339 0.007783 131 C 9 YY -0.003733 0.004171 0.010437 -0.006805 -0.006269 132 C 9 ZZ -0.001234 -0.002302 -0.003961 -0.002534 -0.001513 133 C 9 XY -0.007715 0.001391 -0.000588 -0.000925 -0.001207 134 C 9 XZ 0.001258 -0.000458 0.000330 -0.002619 0.002493 135 C 9 YZ 0.002061 0.001609 0.006209 -0.001046 0.003801 136 C 10 S 0.001532 -0.001774 -0.001912 0.000700 0.001510 137 C 10 S -0.049348 -0.003761 0.023441 -0.012506 -0.019269 138 C 10 S -0.083880 -0.001576 0.063584 -0.061583 -0.032719 139 C 10 X 0.078430 0.063783 -0.069797 0.080311 -0.008201 140 C 10 Y -0.073876 0.050287 -0.121484 -0.152928 0.006984 141 C 10 Z -0.044863 0.027382 0.014914 0.024029 -0.009566 142 C 10 X 0.068457 0.053415 -0.034216 0.038246 0.000670 143 C 10 Y 0.022678 0.061843 -0.080306 -0.023249 -0.014501 144 C 10 Z -0.019712 0.010921 -0.000328 0.020086 -0.002716 145 C 10 XX -0.009078 -0.001834 -0.003577 -0.007200 0.005173 146 C 10 YY 0.005822 0.001549 0.004387 0.005689 -0.004970 147 C 10 ZZ 0.003256 0.000285 -0.000810 0.001511 -0.000204 148 C 10 XY 0.003040 0.007158 -0.008959 0.002027 -0.002243 149 C 10 XZ -0.002169 0.003133 0.001749 0.001059 0.000169 150 C 10 YZ 0.000185 0.001773 0.002550 -0.000231 -0.000076 151 C 11 S -0.003992 -0.003039 -0.001240 0.000819 0.001193 152 C 11 S 0.055411 0.040929 -0.013877 -0.006653 -0.020765 153 C 11 S 0.108183 0.088028 -0.015962 0.008049 -0.044469 154 C 11 X -0.062770 -0.066935 0.035612 -0.103812 0.074053 155 C 11 Y 0.024792 -0.069256 0.129843 0.150716 -0.008979 156 C 11 Z -0.042123 0.003795 -0.007579 0.021824 -0.000549 157 C 11 X -0.075660 -0.055261 0.039838 -0.059101 0.041496 158 C 11 Y 0.050347 0.001519 0.019960 0.113393 -0.018994 159 C 11 Z -0.025223 0.001601 -0.003676 0.013882 0.000063 160 C 11 XX -0.000210 -0.000363 -0.009932 -0.007321 0.003006 161 C 11 YY 0.001872 0.002033 0.008076 0.007473 -0.003721 162 C 11 ZZ -0.001662 -0.001671 0.001855 -0.000152 0.000715 163 C 11 XY 0.008054 0.003491 -0.004059 0.008255 -0.003681 164 C 11 XZ -0.002992 -0.000426 -0.003377 0.001375 0.000445 165 C 11 YZ -0.001015 0.001754 0.001954 0.001598 -0.000875 166 C 12 S 0.000271 -0.000009 -0.000750 -0.000099 -0.000239 167 C 12 S -0.033483 -0.028066 0.006168 -0.041099 0.025386 168 C 12 S -0.051738 -0.032501 0.014845 -0.077186 0.046439 169 C 12 X -0.078493 -0.022533 0.031973 -0.077689 -0.011474 170 C 12 Y 0.088011 0.058232 -0.001159 0.082592 -0.061762 171 C 12 Z 0.037519 0.033532 -0.001326 0.041969 -0.034194 172 C 12 X 0.005547 -0.007266 0.002111 -0.004030 0.009661 173 C 12 Y 0.000994 -0.002427 0.006369 0.023563 -0.010336 174 C 12 Z 0.007352 0.001457 -0.000449 0.002251 -0.004611 175 C 12 XX -0.020986 -0.004278 0.004602 -0.018979 -0.000829 176 C 12 YY 0.005086 -0.003367 -0.004372 0.005067 0.007003 177 C 12 ZZ 0.015900 0.007644 -0.000230 0.013912 -0.006174 178 C 12 XY 0.001293 0.001591 -0.007101 -0.001608 0.005381 179 C 12 XZ 0.005808 0.000557 -0.002614 0.002468 0.001569 180 C 12 YZ -0.017908 -0.010138 0.000841 -0.014345 0.008343 181 C 13 S -0.000529 0.001138 -0.001120 -0.001213 -0.000185 182 C 13 S -0.013021 -0.011461 -0.029627 -0.011688 0.034041 183 C 13 S -0.012657 -0.045902 -0.039562 0.004460 0.074286 184 C 13 X -0.027614 -0.026959 -0.059097 -0.019661 0.062716 185 C 13 Y -0.017029 -0.025542 0.025487 -0.035729 0.022697 186 C 13 Z -0.027506 -0.023006 -0.039941 -0.019340 0.047891 187 C 13 X -0.005062 -0.012692 -0.012993 -0.000557 0.025244 188 C 13 Y 0.011270 0.003765 -0.005109 0.000229 -0.000167 189 C 13 Z 0.001303 -0.008695 -0.004822 0.006004 0.012182 190 C 13 XX -0.003676 0.002714 -0.003342 -0.002477 -0.001815 191 C 13 YY -0.003088 -0.005577 -0.004312 -0.000340 0.008752 192 C 13 ZZ 0.006763 0.002863 0.007654 0.002817 -0.006937 193 C 13 XY -0.006993 -0.006021 0.008099 -0.008300 0.002892 194 C 13 XZ -0.005802 -0.005785 -0.009200 -0.004158 0.009998 195 C 13 YZ -0.003931 -0.003111 0.000017 -0.003726 0.004093 196 C 14 S -0.000189 -0.000542 0.000250 -0.000442 0.000669 197 C 14 S 0.015282 0.019890 -0.039579 0.015476 -0.006040 198 C 14 S 0.007166 0.038663 -0.069044 0.025679 -0.020585 199 C 14 X 0.052305 0.070571 -0.043316 0.004666 -0.054607 200 C 14 Y 0.041757 0.052471 -0.106263 0.030200 -0.004146 201 C 14 Z 0.009175 -0.003424 0.024834 -0.008987 -0.006222 202 C 14 X -0.002975 -0.004312 -0.001566 0.009158 -0.000283 203 C 14 Y -0.015707 0.006217 -0.016951 -0.004609 -0.001674 204 C 14 Z -0.002339 -0.001753 0.002326 -0.004078 0.002183 205 C 14 XX 0.010052 0.016011 -0.015685 -0.001317 -0.007605 206 C 14 YY -0.002495 -0.002275 -0.004615 0.003856 0.005253 207 C 14 ZZ -0.007557 -0.013737 0.020300 -0.002539 0.002352 208 C 14 XY 0.009092 0.008205 0.001161 0.004540 -0.008994 209 C 14 XZ -0.003425 0.000033 -0.003503 0.001412 0.000397 210 C 14 YZ -0.012304 -0.005440 0.008349 -0.001893 0.001207 211 F 15 S -0.001602 -0.000946 0.000049 -0.001488 0.000856 212 F 15 S -0.005293 -0.003230 -0.000324 -0.004280 0.002461 213 F 15 S 0.007097 0.003600 -0.002612 0.008346 -0.003811 214 F 15 X 0.192066 0.009837 -0.061067 0.082680 0.020169 215 F 15 Y -0.183302 -0.084892 0.021968 -0.062044 0.069779 216 F 15 Z -0.014807 -0.039708 -0.017266 -0.055896 0.042367 217 F 15 X 0.136474 0.007483 -0.044219 0.059181 0.014576 218 F 15 Y -0.129222 -0.060171 0.012983 -0.045545 0.052154 219 F 15 Z -0.013535 -0.029911 -0.011152 -0.042727 0.031638 220 F 15 XX -0.000033 -0.000632 -0.000263 -0.000844 0.000553 221 F 15 YY -0.000622 -0.000610 -0.000080 -0.001168 0.000551 222 F 15 ZZ 0.000655 0.001242 0.000343 0.002012 -0.001104 223 F 15 XY -0.001045 -0.000257 0.000183 -0.000199 0.000218 224 F 15 XZ -0.003547 -0.000434 0.000887 -0.001581 0.000114 225 F 15 YZ 0.002965 0.001223 -0.000378 0.000718 -0.000848 226 F 16 S -0.001671 -0.000680 0.000192 -0.001105 0.000470 227 F 16 S -0.006102 -0.001117 0.000533 -0.002333 0.001665 228 F 16 S 0.004205 0.005101 -0.001919 0.004225 -0.001686 229 F 16 X 0.107555 0.032925 -0.010324 0.150291 0.023488 230 F 16 Y -0.097216 -0.058041 -0.002923 -0.096895 0.060705 231 F 16 Z 0.024803 -0.031255 -0.019556 -0.045676 0.023883 232 F 16 X 0.075784 0.023275 -0.005787 0.108311 0.016617 233 F 16 Y -0.069595 -0.041974 -0.002157 -0.069883 0.045166 234 F 16 Z 0.017263 -0.021693 -0.014956 -0.034532 0.017652 235 F 16 XX -0.001131 -0.000396 0.000154 -0.000587 0.000536 236 F 16 YY 0.001805 0.000973 0.000079 0.001850 -0.000940 237 F 16 ZZ -0.000674 -0.000577 -0.000233 -0.001263 0.000403 238 F 16 XY -0.001972 -0.000830 -0.000201 -0.002615 0.000132 239 F 16 XZ 0.001493 0.000355 -0.000125 0.001286 0.000063 240 F 16 YZ -0.002560 -0.000588 0.000442 -0.001026 0.000636 241 F 17 S 0.000978 0.000948 -0.001241 0.000324 -0.000386 242 F 17 S 0.005095 0.004264 -0.003045 0.000066 -0.000622 243 F 17 S 0.000192 -0.001141 0.005950 -0.004641 0.003103 244 F 17 X -0.057300 -0.092619 0.075558 0.019516 0.062073 245 F 17 Y -0.049651 -0.078356 0.112623 -0.005439 0.009204 246 F 17 Z -0.055758 0.001845 -0.002284 -0.012396 0.009972 247 F 17 X -0.039831 -0.065260 0.054638 0.015716 0.043853 248 F 17 Y -0.033818 -0.056642 0.082568 -0.004147 0.006869 249 F 17 Z -0.039685 0.001267 -0.001959 -0.009633 0.007253 250 F 17 XX 0.000941 0.000902 -0.001314 0.000181 -0.000236 251 F 17 YY -0.000404 -0.001292 0.001466 0.000251 0.000191 252 F 17 ZZ -0.000537 0.000390 -0.000152 -0.000431 0.000044 253 F 17 XY -0.000338 -0.000798 0.001057 0.000302 0.000367 254 F 17 XZ -0.000825 -0.000954 0.000971 0.000212 0.000481 255 F 17 YZ -0.002045 -0.001516 0.002218 -0.000452 0.000396 256 F 18 S 0.000387 0.000863 -0.001624 0.000187 -0.000040 257 F 18 S 0.000655 0.002312 -0.004726 0.000330 0.000506 258 F 18 S -0.005403 -0.005488 0.007511 -0.002079 0.002663 259 F 18 X -0.070939 -0.123641 0.085718 -0.008090 0.068318 260 F 18 Y -0.121333 -0.065135 0.132807 -0.059233 -0.000221 261 F 18 Z -0.061313 -0.003571 -0.027154 -0.009705 0.012397 262 F 18 X -0.050958 -0.088955 0.061336 -0.005954 0.050196 263 F 18 Y -0.082416 -0.046169 0.097497 -0.041605 -0.001626 264 F 18 Z -0.039788 -0.000719 -0.020782 -0.005652 0.007539 265 F 18 XX -0.000191 0.000052 -0.000735 0.000105 0.000123 266 F 18 YY -0.001118 0.000175 -0.000194 -0.000320 -0.000086 267 F 18 ZZ 0.001309 -0.000227 0.000929 0.000215 -0.000038 268 F 18 XY -0.000888 -0.000791 0.001011 -0.000316 0.000201 269 F 18 XZ 0.000702 0.001967 -0.001858 0.000182 -0.000797 270 F 18 YZ 0.001613 0.001207 -0.002363 0.000817 -0.000046 271 C 19 S 0.001568 -0.000711 -0.002068 0.000344 0.000355 272 C 19 S -0.005674 0.002623 0.005666 -0.002720 -0.001666 273 C 19 S -0.021125 0.009384 0.025328 -0.011963 -0.008316 274 C 19 X 0.001499 -0.049910 0.171328 -0.029637 -0.127249 275 C 19 Y -0.071594 0.036512 0.044466 0.034795 0.008497 276 C 19 Z -0.026215 0.114077 0.100072 0.033759 0.301524 277 C 19 X -0.000007 -0.017315 0.068585 -0.017140 -0.056049 278 C 19 Y -0.025134 0.014362 0.011923 0.017588 0.005732 279 C 19 Z -0.010622 0.048522 0.042235 0.014623 0.137054 280 C 19 XX 0.001597 -0.002620 0.005012 -0.000359 -0.003920 281 C 19 YY 0.002860 -0.001163 -0.005930 -0.001755 -0.000947 282 C 19 ZZ -0.004457 0.003783 0.000919 0.002114 0.004866 283 C 19 XY 0.003823 -0.000122 -0.010737 -0.000154 0.003827 284 C 19 XZ 0.001653 -0.005220 -0.004771 -0.001486 -0.011203 285 C 19 YZ 0.000915 0.001725 0.000743 0.000233 0.010551 286 H 20 S 0.010669 -0.046590 0.143974 -0.029630 -0.106047 287 H 20 S 0.005385 -0.019145 0.049875 -0.004762 -0.035607 288 H 20 X -0.000656 0.002775 -0.009100 0.002104 0.006281 289 H 20 Y -0.001878 0.000198 0.003926 0.000091 -0.002050 290 H 20 Z -0.000809 0.003704 0.002805 0.001102 0.009587 291 H 21 S -0.026748 -0.044278 -0.061049 0.000238 -0.176993 292 H 21 S -0.009944 -0.014962 -0.017866 0.000982 -0.064639 293 H 21 X -0.000089 -0.002476 0.003585 -0.000898 -0.006534 294 H 21 Y -0.000264 0.003952 0.004392 0.000838 0.011615 295 H 21 Z -0.002729 -0.000109 -0.001704 0.001098 -0.003968 296 C 22 S -0.002524 -0.001497 -0.001245 -0.000423 0.000069 297 C 22 S 0.013127 0.005267 0.003584 -0.002025 0.000063 298 C 22 S 0.031107 0.021914 0.010974 0.000326 -0.002225 299 C 22 X -0.017226 0.030214 0.038756 0.158447 -0.095501 300 C 22 Y -0.155068 -0.036759 -0.085149 0.035241 -0.066530 301 C 22 Z -0.005204 -0.005778 -0.050136 -0.006253 0.033753 302 C 22 X -0.009386 0.009255 0.014707 0.067331 -0.040870 303 C 22 Y -0.058429 -0.014184 -0.031793 0.017173 -0.027619 304 C 22 Z -0.002116 -0.002453 -0.021134 -0.002632 0.015048 305 C 22 XX 0.005466 0.001279 0.001764 -0.003335 0.002595 306 C 22 YY -0.007837 -0.004192 -0.005631 -0.004619 0.001946 307 C 22 ZZ 0.002371 0.002913 0.003867 0.007953 -0.004540 308 C 22 XY 0.008656 0.001623 0.005759 -0.000916 0.004194 309 C 22 XZ 0.000471 -0.000058 -0.001750 0.000319 0.001771 310 C 22 YZ -0.000828 -0.000457 -0.001536 -0.000903 0.000618 311 H 23 S 0.114852 0.006633 0.035796 -0.114549 0.100520 312 H 23 S 0.036212 -0.001876 0.014732 -0.036470 0.037037 313 H 23 X 0.007441 0.001760 0.003403 -0.003199 0.003548 314 H 23 Y 0.004235 -0.000483 0.000529 -0.006966 0.005177 315 H 23 Z 0.000124 -0.000160 -0.001425 -0.000390 0.001262 316 H 24 S 0.016783 0.020262 -0.000301 0.073984 -0.018520 317 H 24 S 0.008201 0.006805 0.000069 0.026295 -0.004596 318 H 24 X -0.001996 -0.000339 0.000939 0.000400 -0.001952 319 H 24 Y -0.003578 -0.000542 -0.002042 0.002126 -0.002082 320 H 24 Z -0.001465 -0.001637 -0.001586 -0.006001 0.002407 321 H 25 S 0.012679 0.024345 0.063094 0.077249 -0.067910 322 H 25 S 0.006945 0.008971 0.025983 0.026795 -0.024191 323 H 25 X -0.001651 -0.000401 -0.002430 0.000692 0.000527 324 H 25 Y -0.003779 -0.000669 -0.001719 0.001553 -0.002242 325 H 25 Z 0.001000 0.001720 0.003860 0.006323 -0.004451 326 C 26 S 0.002460 -0.003402 0.000191 -0.001471 -0.000006 327 C 26 S -0.019860 0.022889 -0.000042 0.011960 0.001054 328 C 26 S -0.035082 0.059499 0.007265 0.024852 0.002857 329 C 26 X -0.061674 0.073126 -0.032898 -0.054432 -0.066236 330 C 26 Y -0.016928 -0.059889 -0.130276 0.026478 0.023771 331 C 26 Z 0.090932 -0.136586 0.002681 -0.085093 -0.005689 332 C 26 X -0.020439 0.028299 -0.013419 -0.021835 -0.028152 333 C 26 Y -0.001980 -0.021469 -0.047708 0.006930 0.009992 334 C 26 Z 0.031098 -0.048238 0.005391 -0.027448 -0.001224 335 C 26 XX -0.003602 0.008579 0.004381 0.000739 -0.001734 336 C 26 YY -0.003027 0.002793 -0.002844 0.004903 0.002385 337 C 26 ZZ 0.006629 -0.011372 -0.001538 -0.005642 -0.000650 338 C 26 XY 0.002818 -0.001415 0.003950 0.000412 0.001764 339 C 26 XZ -0.000569 0.000470 -0.000963 -0.001903 -0.000032 340 C 26 YZ 0.002329 -0.001958 0.002048 -0.002900 0.000759 341 H 27 S 0.018574 0.029617 0.093893 0.041788 0.030707 342 H 27 S 0.005974 0.010727 0.036140 0.013414 0.009705 343 H 27 X -0.000754 0.004092 0.006101 0.001948 0.000236 344 H 27 Y 0.000089 0.000080 0.002059 0.004074 0.002704 345 H 27 Z 0.002174 -0.001956 0.002446 -0.001177 0.000403 346 H 28 S -0.052963 0.014494 -0.092702 0.069228 0.027693 347 H 28 S -0.019120 0.002445 -0.033550 0.029276 0.008258 348 H 28 X -0.003026 0.002497 -0.002602 -0.000225 -0.001432 349 H 28 Y 0.004168 -0.003276 0.003704 -0.005360 -0.002198 350 H 28 Z -0.000371 -0.002510 -0.004288 0.001254 0.001126 351 H 29 S -0.074279 0.123775 0.017526 -0.017633 -0.054031 352 H 29 S -0.024126 0.040207 0.009631 -0.004164 -0.016684 353 H 29 X 0.005010 -0.009001 -0.002315 0.000101 0.002914 354 H 29 Y -0.003920 0.003276 -0.003693 0.000468 -0.001390 355 H 29 Z 0.000248 0.000434 0.001076 -0.002434 -0.001508 356 C 30 S -0.000971 0.001760 -0.001822 0.001861 0.000874 357 C 30 S 0.018409 -0.011191 0.012636 -0.011565 -0.003003 358 C 30 S 0.021234 -0.016821 0.038877 -0.026571 -0.011817 359 C 30 X 0.069514 0.059863 -0.036554 -0.127917 0.001476 360 C 30 Y -0.022606 0.112250 0.114022 0.010978 -0.056095 361 C 30 Z 0.100224 -0.072672 0.110341 -0.072771 0.024660 362 C 30 X 0.025493 0.018859 -0.013784 -0.047659 0.001791 363 C 30 Y -0.005525 0.041695 0.042986 0.000068 -0.024559 364 C 30 Z 0.037107 -0.023506 0.037876 -0.027338 0.011611 365 C 30 XX 0.002199 0.002172 0.009259 -0.001001 -0.001453 366 C 30 YY 0.005572 -0.005613 0.001189 -0.003879 0.003349 367 C 30 ZZ -0.007771 0.003441 -0.010448 0.004881 -0.001897 368 C 30 XY 0.002850 0.002802 -0.001429 -0.005097 -0.000008 369 C 30 XZ -0.000111 -0.001404 -0.000770 0.000629 0.000857 370 C 30 YZ -0.003305 0.002913 -0.000978 0.003321 -0.000849 371 H 31 S 0.073357 -0.117629 -0.031033 -0.052628 0.050180 372 H 31 S 0.024792 -0.045048 -0.009383 -0.021689 0.017166 373 H 31 X 0.001710 0.002537 -0.001022 -0.003601 -0.000177 374 H 31 Y 0.005719 -0.007165 0.000840 -0.004058 0.002628 375 H 31 Z -0.001106 0.004043 0.003886 0.000941 -0.001590 376 H 32 S -0.022900 -0.017812 0.110340 0.070929 -0.019903 377 H 32 S -0.001139 -0.008322 0.038272 0.028367 -0.004825 378 H 32 X 0.000896 -0.000421 0.007921 0.002292 -0.001346 379 H 32 Y -0.000513 0.004929 -0.001698 -0.002844 -0.000589 380 H 32 Z 0.002422 -0.001695 -0.000891 -0.003472 0.001196 381 H 33 S 0.067189 0.073137 0.060527 -0.104221 -0.019709 382 H 33 S 0.022788 0.026208 0.022948 -0.033644 -0.002939 383 H 33 X -0.003241 -0.004094 -0.006010 0.004501 0.001813 384 H 33 Y -0.004739 -0.000131 0.000251 0.006476 -0.000323 385 H 33 Z 0.001038 -0.003425 0.000895 0.000289 0.000820 386 H 34 S -0.051338 0.109949 0.060050 0.043375 0.256008 387 H 34 S -0.016957 0.035772 0.024043 0.015123 0.090277 388 H 34 X -0.000973 0.001230 0.006152 0.000273 0.002413 389 H 34 Y 0.000305 -0.003638 -0.002137 -0.001019 -0.010936 390 H 34 Z 0.003668 -0.005984 -0.002392 -0.002819 -0.012519 391 F 35 S -0.000149 -0.000644 -0.000504 0.000037 0.000741 392 F 35 S -0.000175 -0.002364 -0.001342 0.000511 0.002105 393 F 35 S 0.001335 0.001478 0.001544 -0.000007 -0.002059 394 F 35 X 0.034230 0.024518 0.061321 0.018709 -0.061429 395 F 35 Y 0.035137 0.038450 -0.037805 0.041640 -0.023868 396 F 35 Z 0.061055 -0.002654 0.041155 0.027125 -0.029930 397 F 35 X 0.025273 0.018831 0.045087 0.013725 -0.046007 398 F 35 Y 0.022108 0.025810 -0.025254 0.028974 -0.016510 399 F 35 Z 0.042074 0.000014 0.030316 0.018415 -0.024134 400 F 35 XX 0.001037 0.000444 0.001475 0.000606 -0.001284 401 F 35 YY -0.000282 -0.000241 -0.000768 -0.000237 0.000646 402 F 35 ZZ -0.000755 -0.000204 -0.000707 -0.000369 0.000637 403 F 35 XY 0.000461 0.000430 -0.000148 0.000427 -0.000327 404 F 35 XZ 0.000469 -0.000510 -0.000287 -0.000044 0.000507 405 F 35 YZ -0.000233 -0.000254 0.000218 -0.000195 0.000132 406 F 36 S -0.000601 -0.000569 -0.001032 -0.000548 0.001077 407 F 36 S -0.002882 -0.001617 -0.003565 -0.001340 0.002694 408 F 36 S -0.000456 0.002744 0.002862 0.002713 -0.005741 409 F 36 X 0.009483 0.053806 0.053264 0.017103 -0.060410 410 F 36 Y 0.046215 0.036634 -0.039359 0.052106 -0.025443 411 F 36 Z 0.047450 0.027277 0.051349 0.029388 -0.055679 412 F 36 X 0.007561 0.039687 0.039775 0.012604 -0.045729 413 F 36 Y 0.032456 0.027432 -0.028678 0.038783 -0.019250 414 F 36 Z 0.033043 0.020904 0.037209 0.020933 -0.041830 415 F 36 XX -0.000679 -0.000305 -0.000840 -0.000432 0.000760 416 F 36 YY -0.000703 -0.000482 -0.000665 -0.000414 0.000758 417 F 36 ZZ 0.001382 0.000787 0.001505 0.000845 -0.001519 418 F 36 XY -0.000092 -0.000101 -0.000007 -0.000103 0.000094 419 F 36 XZ -0.000053 0.000824 0.000512 0.000151 -0.000586 420 F 36 YZ 0.000626 0.000411 -0.000709 0.000587 -0.000085 421 C 37 S -0.001063 0.001246 0.001063 -0.002495 -0.002983 422 C 37 S -0.007917 -0.003791 0.010067 0.031734 0.019141 423 C 37 S 0.016398 0.001921 -0.022479 0.031055 0.052635 424 C 37 X 0.117179 -0.108141 -0.046282 0.114444 0.072785 425 C 37 Y 0.010778 -0.027984 0.093825 -0.047375 -0.063625 426 C 37 Z -0.011721 0.065913 0.059749 0.019663 0.047637 427 C 37 X 0.035012 -0.041075 -0.008350 0.052144 0.025123 428 C 37 Y -0.003082 0.007784 0.026957 -0.031600 -0.030427 429 C 37 Z -0.005454 0.026788 0.024737 0.005869 0.024228 430 C 37 XX 0.001217 -0.002442 -0.002762 0.009835 0.007896 431 C 37 YY -0.002645 0.002745 0.003157 -0.008940 -0.008946 432 C 37 ZZ 0.001427 -0.000303 -0.000395 -0.000896 0.001049 433 C 37 XY -0.002389 0.002789 -0.006741 -0.001860 0.000460 434 C 37 XZ 0.001266 -0.004485 -0.004358 -0.002647 -0.002873 435 C 37 YZ -0.000700 0.004196 0.003206 -0.001709 0.007059 436 S 38 S -0.000494 0.000521 -0.000355 -0.000845 0.000156 437 S 38 S -0.002957 0.002607 -0.001806 -0.005100 0.000756 438 S 38 S 0.026458 -0.055339 0.049056 0.041279 -0.018090 439 S 38 S 0.061092 -0.099197 0.069412 0.096339 -0.032180 440 S 38 X 0.000736 -0.001022 0.000471 -0.000269 -0.000204 441 S 38 Y -0.000290 0.000780 0.000978 -0.001378 -0.000268 442 S 38 Z 0.000365 -0.000840 -0.000447 -0.000120 -0.000862 443 S 38 X -0.030704 0.041388 -0.028629 0.010362 0.028776 444 S 38 Y 0.015705 -0.038319 -0.019529 0.068883 0.010329 445 S 38 Z -0.024057 0.071240 0.035321 0.013359 0.045623 446 S 38 X -0.014936 0.021397 -0.011852 0.000887 0.006023 447 S 38 Y 0.004405 -0.025202 -0.001815 0.031612 0.002914 448 S 38 Z -0.014506 0.047915 0.027302 0.007964 0.032864 449 S 38 XX -0.005814 0.006528 -0.007336 0.004797 0.003053 450 S 38 YY 0.002649 0.000198 0.004888 -0.010555 -0.002492 451 S 38 ZZ 0.003165 -0.006726 0.002448 0.005758 -0.000561 452 S 38 XY 0.004096 -0.001257 -0.012260 -0.003290 -0.000618 453 S 38 XZ -0.001077 0.007430 0.003599 0.001873 0.009994 454 S 38 YZ 0.004740 -0.008741 -0.002886 -0.002530 0.000435 455 S 38 XX -0.001155 0.001174 -0.001459 0.000801 0.000690 456 S 38 YY 0.000527 0.000023 0.000985 -0.001909 -0.000545 457 S 38 ZZ 0.000627 -0.001197 0.000474 0.001108 -0.000145 458 S 38 XY 0.000578 -0.000108 -0.002103 -0.000778 -0.000012 459 S 38 XZ -0.000170 0.001162 0.000533 0.000275 0.001608 460 S 38 YZ 0.000753 -0.001237 -0.000468 -0.000271 0.000169 461 H 39 S 0.091221 -0.089352 -0.049065 0.127671 0.088710 462 H 39 S 0.031987 -0.031025 -0.016935 0.043130 0.033072 463 H 39 X -0.006244 0.006243 0.003787 -0.009080 -0.006348 464 H 39 Y 0.001931 -0.003103 0.001832 0.001559 -0.000359 465 H 39 Z -0.000315 0.002432 0.001894 0.001109 0.002399 81 82 83 84 85 -0.5945 -0.5886 -0.5844 -0.5815 -0.5639 A A A A A 1 C 1 S -0.000240 -0.000399 -0.000270 -0.000450 -0.000856 2 C 1 S 0.029226 -0.002655 -0.011691 0.009103 -0.000483 3 C 1 S 0.038149 0.010936 -0.008896 0.019366 0.019941 4 C 1 X 0.078882 -0.056818 -0.026515 0.075353 -0.041094 5 C 1 Y -0.033552 0.038485 0.026232 -0.073512 0.037863 6 C 1 Z 0.032172 0.001741 0.086129 -0.007926 0.005105 7 C 1 X 0.050944 -0.039166 -0.021677 0.042101 -0.027480 8 C 1 Y -0.011301 0.028073 0.013909 -0.046454 0.015786 9 C 1 Z 0.012166 0.004320 0.036393 -0.005591 0.004818 10 C 1 XX 0.001640 -0.000047 0.002008 -0.000407 0.005774 11 C 1 YY -0.000293 0.000083 -0.000074 0.001069 -0.005682 12 C 1 ZZ -0.001347 -0.000036 -0.001933 -0.000662 -0.000092 13 C 1 XY -0.008099 0.000721 0.001062 -0.002785 -0.002247 14 C 1 XZ 0.004639 -0.000056 0.011283 0.000485 -0.000505 15 C 1 YZ -0.000726 0.000974 -0.012544 -0.000208 0.000706 16 C 2 S -0.000722 0.001354 0.000222 -0.001212 -0.000830 17 C 2 S 0.004399 0.002547 0.004928 -0.011521 0.012347 18 C 2 S 0.027568 -0.037743 -0.011164 0.017433 -0.006779 19 C 2 X -0.046386 0.059301 0.024086 -0.072258 0.038565 20 C 2 Y 0.051132 0.032392 -0.002513 -0.034849 -0.021018 21 C 2 Z 0.002761 -0.009460 0.003384 -0.005309 -0.005560 22 C 2 X -0.016234 0.004779 0.002301 -0.020641 0.003802 23 C 2 Y 0.013088 0.002406 0.000741 0.003540 0.006765 24 C 2 Z -0.003697 -0.000573 -0.013265 0.000258 -0.001083 25 C 2 XX -0.002685 0.003418 0.001982 -0.005731 0.002315 26 C 2 YY 0.002520 -0.003008 -0.001165 0.005120 -0.002415 27 C 2 ZZ 0.000166 -0.000410 -0.000817 0.000610 0.000101 28 C 2 XY -0.003685 -0.003812 0.000512 0.003259 0.000584 29 C 2 XZ 0.002600 -0.000296 0.004890 0.001081 0.000349 30 C 2 YZ -0.001303 -0.001777 -0.001181 -0.001708 -0.001125 31 C 3 S 0.000279 -0.001323 0.000037 -0.000533 0.000605 32 C 3 S -0.002972 0.017232 0.001008 -0.001684 0.014370 33 C 3 S 0.021201 0.033189 -0.011930 0.009220 -0.018492 34 C 3 X -0.020935 -0.043690 -0.001826 0.048370 -0.026798 35 C 3 Y -0.074110 -0.000456 0.012344 0.019173 0.046661 36 C 3 Z -0.030384 -0.032299 -0.008230 -0.034198 -0.013074 37 C 3 X 0.010062 0.028592 0.005737 -0.022103 -0.033060 38 C 3 Y -0.016775 -0.006618 -0.002791 0.023688 0.002872 39 C 3 Z -0.017204 -0.015966 -0.002163 -0.019413 -0.005578 40 C 3 XX -0.004408 -0.002014 -0.000358 0.001187 -0.000715 41 C 3 YY 0.004030 0.002407 0.000439 -0.001907 0.002284 42 C 3 ZZ 0.000377 -0.000393 -0.000081 0.000719 -0.001569 43 C 3 XY -0.003433 -0.007949 -0.001113 0.008660 -0.007708 44 C 3 XZ 0.002664 0.001602 -0.001840 0.001999 0.001156 45 C 3 YZ -0.001496 -0.000866 0.000084 -0.003086 -0.000906 46 C 4 S -0.000586 0.000788 0.000673 0.000337 -0.000800 47 C 4 S 0.033222 -0.005999 -0.022486 0.011297 -0.011173 48 C 4 S 0.035736 -0.020776 -0.034528 -0.004597 0.021577 49 C 4 X 0.080460 0.022624 -0.021292 -0.004609 0.019314 50 C 4 Y 0.027720 0.046686 0.013173 -0.054074 -0.002014 51 C 4 Z 0.056882 0.032566 -0.033110 -0.073575 0.002977 52 C 4 X 0.088374 0.040064 -0.026137 0.014297 0.016547 53 C 4 Y 0.013160 0.062719 0.015716 -0.077175 -0.013669 54 C 4 Z 0.044943 0.012196 -0.024362 -0.046938 -0.016940 55 C 4 XX -0.004410 0.001341 0.000858 0.001467 0.004018 56 C 4 YY 0.000065 0.002462 0.001884 -0.000674 -0.001758 57 C 4 ZZ 0.004345 -0.003803 -0.002742 -0.000793 -0.002260 58 C 4 XY -0.002955 -0.002746 -0.000383 0.002720 0.003043 59 C 4 XZ 0.010668 0.006344 -0.001534 0.003721 0.006129 60 C 4 YZ -0.002532 0.008150 -0.000609 -0.003355 0.002053 61 S 5 S 0.001186 -0.000033 -0.000445 0.000555 0.000198 62 S 5 S 0.007007 0.000209 -0.002631 0.003104 0.001021 63 S 5 S -0.068810 0.025725 0.025130 -0.039610 -0.016053 64 S 5 S -0.147379 0.033652 0.054861 -0.081732 -0.036544 65 S 5 X 0.001094 -0.000452 -0.000519 0.000965 0.000584 66 S 5 Y 0.000028 -0.000307 0.000184 -0.000501 -0.000460 67 S 5 Z -0.001847 -0.000179 -0.000315 -0.000217 -0.000225 68 S 5 X -0.035543 0.016725 0.024928 -0.030097 -0.010597 69 S 5 Y -0.016222 0.005708 -0.007343 0.009737 0.004002 70 S 5 Z 0.087309 0.009871 0.030577 -0.000180 0.013746 71 S 5 X -0.016655 0.015246 0.016028 -0.015900 -0.000904 72 S 5 Y -0.013511 0.001056 -0.004776 0.003758 -0.001500 73 S 5 Z 0.063442 0.005211 0.034510 -0.001290 0.007363 74 S 5 XX -0.003314 0.000166 -0.000005 0.000616 0.000787 75 S 5 YY 0.006965 -0.001642 -0.001325 0.001373 -0.000890 76 S 5 ZZ -0.003651 0.001475 0.001330 -0.001990 0.000103 77 S 5 XY -0.002588 0.003098 0.002873 -0.008019 0.001028 78 S 5 XZ -0.007461 -0.000079 0.000478 0.000373 -0.001071 79 S 5 YZ 0.002673 0.002541 -0.008153 -0.000314 0.000778 80 S 5 XX -0.000771 0.000072 0.000111 0.000086 0.000117 81 S 5 YY 0.001527 -0.000327 -0.000317 0.000350 -0.000084 82 S 5 ZZ -0.000756 0.000255 0.000206 -0.000436 -0.000033 83 S 5 XY -0.000653 0.000630 0.000588 -0.001663 -0.000039 84 S 5 XZ -0.001367 -0.000025 0.000305 -0.000059 -0.000256 85 S 5 YZ 0.000809 0.000524 -0.001498 0.000002 0.000246 86 H 6 S -0.005877 -0.055431 -0.008577 0.058474 -0.000243 87 H 6 S -0.015950 -0.024172 -0.000581 0.032462 0.013281 88 H 6 X -0.001266 -0.001572 0.000203 0.001691 0.001663 89 H 6 Y 0.001036 -0.003100 -0.000942 0.003714 -0.000017 90 H 6 Z 0.000235 -0.000586 0.000743 -0.000155 -0.000432 91 C 7 S 0.002004 -0.000452 -0.000534 0.000994 0.000979 92 C 7 S -0.022000 0.006620 -0.001249 -0.008339 -0.018451 93 C 7 S -0.060773 0.012361 0.011955 -0.053288 -0.052017 94 C 7 X 0.029611 0.070740 0.001127 -0.093819 -0.071345 95 C 7 Y 0.011876 -0.033552 -0.007463 -0.044419 -0.101689 96 C 7 Z -0.055394 -0.024959 0.036804 -0.007405 0.005674 97 C 7 X 0.006063 0.014664 -0.001736 -0.048424 -0.084921 98 C 7 Y 0.014920 -0.023158 -0.007189 -0.002137 -0.051672 99 C 7 Z -0.027077 -0.013449 0.024053 -0.008509 0.002638 100 C 7 XX -0.000506 0.004030 -0.000376 0.000777 0.000387 101 C 7 YY 0.000171 -0.002850 0.000345 0.000090 -0.000920 102 C 7 ZZ 0.000335 -0.001180 0.000031 -0.000867 0.000532 103 C 7 XY -0.003167 -0.001513 0.000228 0.008045 0.008464 104 C 7 XZ 0.001552 0.003369 -0.000842 0.002818 0.001229 105 C 7 YZ 0.001683 -0.000304 -0.000872 0.001413 -0.001608 106 C 8 S 0.000879 -0.001385 -0.000364 -0.001297 -0.000486 107 C 8 S -0.002042 -0.029347 -0.001925 -0.019474 -0.004845 108 C 8 S -0.014827 -0.018235 0.000084 -0.024607 0.004598 109 C 8 X 0.027615 -0.047277 -0.006446 -0.099226 -0.025736 110 C 8 Y 0.005425 -0.003492 -0.018234 -0.193962 -0.042228 111 C 8 Z 0.035046 -0.042096 -0.011926 -0.029519 -0.010961 112 C 8 X 0.025691 -0.030008 -0.007930 -0.065984 -0.027314 113 C 8 Y 0.003149 0.001736 -0.011205 -0.094469 -0.031956 114 C 8 Z 0.019849 -0.022894 -0.005812 -0.014774 -0.008081 115 C 8 XX 0.002716 -0.000628 0.000287 -0.005193 0.005334 116 C 8 YY -0.003792 0.002240 0.000346 0.004069 -0.006144 117 C 8 ZZ 0.001076 -0.001611 -0.000633 0.001124 0.000810 118 C 8 XY 0.000675 -0.007008 -0.000181 -0.011736 -0.000151 119 C 8 XZ 0.002631 -0.001965 -0.001081 -0.001717 0.001234 120 C 8 YZ 0.001271 -0.008767 -0.002563 -0.000545 0.001506 121 C 9 S -0.000919 0.001162 0.000414 -0.001267 -0.001618 122 C 9 S 0.014391 -0.048552 0.001575 -0.023077 -0.009036 123 C 9 S 0.031696 -0.087119 -0.008235 0.018061 0.038221 124 C 9 X -0.033117 -0.077239 0.005799 0.026795 0.047720 125 C 9 Y -0.013915 0.029413 -0.013817 -0.045955 0.019604 126 C 9 Z -0.011805 0.112253 0.018002 -0.030362 -0.007876 127 C 9 X -0.064443 -0.065656 0.014230 -0.010741 0.023904 128 C 9 Y -0.014848 0.025781 -0.003670 -0.051027 0.057951 129 C 9 Z -0.011857 0.052084 0.012051 0.004562 0.012644 130 C 9 XX -0.000631 0.007887 -0.000723 -0.002379 0.001388 131 C 9 YY -0.002855 -0.001758 0.001761 0.006906 -0.001597 132 C 9 ZZ 0.003485 -0.006130 -0.001038 -0.004527 0.000209 133 C 9 XY -0.004143 -0.002993 0.001116 0.006843 0.004006 134 C 9 XZ 0.008757 0.005506 -0.003154 0.003570 -0.004374 135 C 9 YZ -0.003108 -0.002236 0.002785 0.006897 -0.003714 136 C 10 S -0.001402 0.001099 0.000503 -0.000217 0.002871 137 C 10 S 0.028825 -0.012206 -0.006825 0.006471 0.002216 138 C 10 S 0.075714 -0.031638 -0.024365 -0.006911 -0.101483 139 C 10 X -0.071155 -0.026320 0.019100 0.085332 0.166372 140 C 10 Y -0.037717 -0.019323 0.001278 0.032456 -0.041892 141 C 10 Z -0.033421 -0.028032 0.029228 -0.050146 -0.035793 142 C 10 X -0.031935 -0.011157 0.008558 0.046168 0.088745 143 C 10 Y -0.021265 -0.032401 -0.002740 0.022164 -0.044855 144 C 10 Z -0.023063 -0.017497 0.019529 -0.027023 -0.012726 145 C 10 XX -0.000522 0.005333 0.000804 -0.002918 -0.002542 146 C 10 YY 0.000892 -0.005937 -0.000661 0.002077 0.001848 147 C 10 ZZ -0.000370 0.000604 -0.000142 0.000841 0.000694 148 C 10 XY -0.005474 -0.004883 0.000695 0.005689 0.002791 149 C 10 XZ -0.003295 0.000041 0.002150 -0.001883 0.001064 150 C 10 YZ 0.001217 0.001837 0.000337 0.001861 -0.000124 151 C 11 S -0.001452 -0.000710 0.000158 0.001645 0.001658 152 C 11 S 0.014561 -0.019675 -0.007796 -0.013716 -0.018975 153 C 11 S 0.038067 -0.006839 -0.007746 -0.060463 -0.081352 154 C 11 X -0.009661 0.082939 0.015659 -0.027801 0.129642 155 C 11 Y 0.024886 0.005749 0.001881 0.002801 0.074515 156 C 11 Z -0.032942 -0.027761 0.011538 -0.049824 -0.015197 157 C 11 X -0.018907 0.055981 0.019714 -0.018848 0.100161 158 C 11 Y -0.014941 -0.023641 0.002351 0.031757 0.060548 159 C 11 Z -0.020262 -0.014101 0.007282 -0.029268 -0.003686 160 C 11 XX -0.006904 -0.002368 0.000628 0.003600 -0.002524 161 C 11 YY 0.007253 0.001779 -0.000834 -0.003934 0.002300 162 C 11 ZZ -0.000348 0.000589 0.000205 0.000334 0.000224 163 C 11 XY -0.003456 -0.006990 -0.000313 0.005532 -0.002462 164 C 11 XZ -0.002596 -0.001717 -0.000584 -0.000959 0.000456 165 C 11 YZ -0.001953 -0.001455 0.002394 -0.001731 -0.000962 166 C 12 S -0.000361 -0.000464 -0.000203 0.000808 -0.000522 167 C 12 S 0.005591 0.030886 0.001570 -0.025372 -0.013120 168 C 12 S 0.011689 0.057852 0.006592 -0.049043 -0.002666 169 C 12 X 0.056150 -0.003853 -0.017015 -0.045371 -0.146442 170 C 12 Y 0.010734 -0.067111 -0.011025 0.037334 -0.032667 171 C 12 Z 0.007787 -0.037221 -0.006786 0.022250 -0.018566 172 C 12 X 0.000856 0.013007 0.000477 -0.004498 -0.000884 173 C 12 Y 0.000536 -0.012418 -0.002857 0.012157 -0.001280 174 C 12 Z 0.002163 -0.002366 -0.001321 0.007325 0.002160 175 C 12 XX 0.007828 0.000360 -0.001713 -0.008540 -0.018968 176 C 12 YY -0.008889 0.005135 0.003522 0.001520 0.015670 177 C 12 ZZ 0.001061 -0.005495 -0.001809 0.007020 0.003299 178 C 12 XY -0.007195 0.003962 0.002210 0.002793 0.011610 179 C 12 XZ -0.003805 0.000324 0.002260 -0.001131 0.004912 180 C 12 YZ 0.000245 0.009408 0.000410 -0.004436 0.002418 181 C 13 S -0.000937 -0.001009 0.000491 0.000241 0.000111 182 C 13 S -0.044666 0.022754 0.016006 0.016285 0.078551 183 C 13 S -0.077388 0.064400 0.025374 0.031234 0.168280 184 C 13 X -0.080879 0.041473 0.026553 0.032139 0.130184 185 C 13 Y 0.025843 0.042322 -0.000848 -0.049828 -0.013514 186 C 13 Z -0.053722 0.035125 0.018408 0.015600 0.088625 187 C 13 X -0.026578 0.022574 0.009208 0.009111 0.057857 188 C 13 Y -0.000483 0.002901 0.000752 -0.002575 0.003072 189 C 13 Z -0.013818 0.009082 0.004583 0.003334 0.028161 190 C 13 XX 0.000690 -0.002643 -0.001019 -0.000706 -0.009944 191 C 13 YY -0.009725 0.006893 0.003678 0.003730 0.021304 192 C 13 ZZ 0.009035 -0.004251 -0.002659 -0.003025 -0.011360 193 C 13 XY 0.006698 0.006563 -0.000797 -0.009045 -0.005611 194 C 13 XZ -0.011049 0.007072 0.003589 0.003778 0.016051 195 C 13 YZ -0.000893 0.004815 0.000799 -0.002572 0.003914 196 C 14 S 0.000739 0.001486 -0.000144 -0.001006 -0.000702 197 C 14 S -0.027886 -0.021160 0.002911 0.028353 -0.001331 198 C 14 S -0.067805 -0.057293 0.012791 0.069487 0.032912 199 C 14 X 0.024652 -0.056938 -0.018385 -0.009734 -0.147888 200 C 14 Y -0.075937 -0.039433 0.011900 0.067671 0.039455 201 C 14 Z 0.026504 0.005048 -0.005754 -0.019168 -0.027945 202 C 14 X -0.009333 -0.005769 0.000695 0.006377 -0.003104 203 C 14 Y -0.019816 -0.012986 0.005475 0.021683 0.016079 204 C 14 Z 0.003410 0.004102 -0.000630 0.001305 0.000237 205 C 14 XX -0.001669 -0.010134 -0.001744 0.003184 -0.014278 206 C 14 YY -0.009214 0.002639 0.003060 0.003771 0.013683 207 C 14 ZZ 0.010883 0.007495 -0.001316 -0.006956 0.000594 208 C 14 XY 0.008759 -0.006343 -0.003354 -0.004140 -0.018788 209 C 14 XZ -0.004040 -0.002103 0.001035 0.001132 0.001616 210 C 14 YZ 0.003782 0.002453 -0.000058 -0.007332 -0.002684 211 F 15 S -0.000064 0.001029 0.000170 -0.000584 0.000298 212 F 15 S -0.000249 0.002808 -0.000137 -0.000135 0.001888 213 F 15 S -0.001802 -0.005881 -0.001594 0.006368 0.001683 214 F 15 X -0.040522 0.020234 0.003934 0.065680 0.138259 215 F 15 Y -0.026354 0.066930 0.017960 -0.040478 0.039915 216 F 15 Z -0.014451 0.041290 0.010330 -0.022986 0.022581 217 F 15 X -0.030042 0.014283 0.002793 0.048748 0.103018 218 F 15 Y -0.021653 0.049510 0.014093 -0.029619 0.032011 219 F 15 Z -0.009154 0.031775 0.007393 -0.017896 0.016479 220 F 15 XX -0.000066 0.000550 0.000079 -0.000307 -0.000020 221 F 15 YY 0.000001 0.000585 0.000078 -0.000461 -0.000004 222 F 15 ZZ 0.000065 -0.001135 -0.000157 0.000767 0.000025 223 F 15 XY -0.000144 0.000177 0.000086 -0.000135 0.000141 224 F 15 XZ 0.000180 0.000074 0.000164 -0.001135 -0.001079 225 F 15 YZ 0.000411 -0.000725 -0.000250 0.000523 -0.000317 226 F 16 S 0.000166 0.000475 0.000010 -0.000571 -0.000497 227 F 16 S 0.000007 0.001552 0.000292 -0.000673 -0.000404 228 F 16 S -0.001518 -0.001737 0.000279 0.004969 0.004320 229 F 16 X -0.069027 0.016400 0.024393 0.030881 0.124059 230 F 16 Y -0.002276 0.067871 0.005014 -0.031948 0.012845 231 F 16 Z 0.001877 0.028214 -0.000437 -0.004696 0.015982 232 F 16 X -0.048814 0.011772 0.017680 0.021434 0.090291 233 F 16 Y -0.002150 0.050418 0.004216 -0.024794 0.010101 234 F 16 Z 0.001273 0.020867 -0.000402 -0.003925 0.011157 235 F 16 XX -0.000097 0.000552 0.000086 -0.000413 -0.000172 236 F 16 YY -0.000105 -0.001021 -0.000014 0.000571 0.000373 237 F 16 ZZ 0.000202 0.000470 -0.000072 -0.000158 -0.000200 238 F 16 XY 0.000579 0.000174 -0.000170 -0.000339 -0.000492 239 F 16 XZ -0.000405 0.000003 0.000138 0.000238 0.000536 240 F 16 YZ -0.000049 0.000631 0.000123 -0.000637 -0.000267 241 F 17 S -0.000603 -0.000714 -0.000012 0.000396 -0.000374 242 F 17 S -0.001596 -0.000694 0.000163 -0.000510 0.000252 243 F 17 S 0.003349 0.006576 0.000335 -0.004245 0.004703 244 F 17 X -0.043884 0.053672 0.024205 -0.008853 0.130889 245 F 17 Y 0.062352 0.033092 -0.007019 -0.064491 -0.021516 246 F 17 Z -0.008940 0.011763 0.003830 0.007961 0.022732 247 F 17 X -0.031426 0.038151 0.017585 -0.006385 0.096181 248 F 17 Y 0.047422 0.025495 -0.005690 -0.048155 -0.016871 249 F 17 Z -0.006560 0.008410 0.002748 0.006798 0.017097 250 F 17 XX -0.000585 -0.000525 0.000050 0.000576 -0.000147 251 F 17 YY 0.000579 0.000346 -0.000042 -0.000651 0.000102 252 F 17 ZZ 0.000006 0.000178 -0.000008 0.000075 0.000046 253 F 17 XY -0.000206 0.000339 0.000149 -0.000421 0.000329 254 F 17 XZ -0.000267 0.000411 0.000175 -0.000289 0.000641 255 F 17 YZ 0.001032 0.000907 -0.000072 -0.000934 0.000150 256 F 18 S -0.001007 -0.000540 0.000158 0.000876 0.000417 257 F 18 S -0.002418 -0.000086 0.000344 0.001944 0.002036 258 F 18 S 0.005197 0.006692 -0.000670 -0.006814 0.000312 259 F 18 X -0.012801 0.080113 0.016636 0.028251 0.144016 260 F 18 Y 0.098489 0.043135 -0.018058 -0.054351 -0.043035 261 F 18 Z -0.030508 -0.000332 0.007368 0.024921 0.030090 262 F 18 X -0.009860 0.059176 0.012445 0.021129 0.108492 263 F 18 Y 0.074403 0.031293 -0.014148 -0.041651 -0.035262 264 F 18 Z -0.022343 -0.001976 0.005183 0.020158 0.021900 265 F 18 XX -0.000651 -0.000155 0.000111 0.000543 0.000254 266 F 18 YY -0.000019 -0.000126 -0.000022 0.000265 -0.000038 267 F 18 ZZ 0.000671 0.000281 -0.000089 -0.000807 -0.000216 268 F 18 XY 0.000459 0.000454 -0.000035 -0.000128 0.000044 269 F 18 XZ -0.000427 -0.001201 -0.000078 -0.000045 -0.001073 270 F 18 YZ -0.001592 -0.000757 0.000269 0.000802 0.000380 271 C 19 S 0.000537 -0.000581 -0.000300 -0.003018 -0.000444 272 C 19 S 0.000572 -0.003864 -0.000537 -0.007905 -0.002614 273 C 19 S -0.005700 -0.002875 0.003743 0.020452 0.008414 274 C 19 X 0.057715 -0.080462 0.014863 -0.041509 0.138542 275 C 19 Y -0.067891 0.130961 0.019374 0.261155 -0.037552 276 C 19 Z 0.083631 -0.166973 -0.053247 0.010571 0.031803 277 C 19 X 0.026104 -0.038420 0.006341 -0.025460 0.065991 278 C 19 Y -0.029193 0.057069 0.007012 0.108103 -0.025711 279 C 19 Z 0.039033 -0.076560 -0.025083 0.003351 0.014073 280 C 19 XX 0.004147 -0.006075 -0.000039 -0.008712 0.007647 281 C 19 YY -0.000233 -0.000174 -0.000219 -0.005940 -0.003703 282 C 19 ZZ -0.003914 0.006249 0.000258 0.014652 -0.003944 283 C 19 XY 0.000514 -0.001749 -0.001346 -0.011107 -0.003925 284 C 19 XZ -0.002776 0.005081 0.001662 -0.001873 -0.000638 285 C 19 YZ 0.003729 -0.008660 -0.002736 -0.003900 0.001686 286 H 20 S 0.064281 -0.097392 0.008261 -0.088295 0.130271 287 H 20 S 0.024100 -0.032688 0.002623 -0.031684 0.049344 288 H 20 X -0.004295 0.006649 -0.000385 0.006389 -0.007952 289 H 20 Y -0.000834 0.001756 0.000715 0.005828 0.001165 290 H 20 Z 0.002491 -0.005065 -0.001665 0.000383 0.000741 291 H 21 S -0.102138 0.197399 0.044618 0.146610 -0.067102 292 H 21 S -0.036389 0.074767 0.017663 0.058191 -0.023702 293 H 21 X 0.000111 0.000513 0.001031 0.000356 0.002901 294 H 21 Y 0.004281 -0.008433 -0.002255 -0.001694 0.002793 295 H 21 Z -0.004997 0.009428 0.001604 0.010870 -0.003746 296 C 22 S 0.000809 -0.000846 -0.000475 0.001390 -0.000536 297 C 22 S 0.000812 0.000095 -0.000531 0.001984 -0.002595 298 C 22 S -0.004608 0.011440 0.004383 -0.015593 -0.000929 299 C 22 X 0.098988 -0.029193 0.015124 0.016615 0.101238 300 C 22 Y 0.124310 -0.070934 -0.070784 0.110774 0.001733 301 C 22 Z 0.121291 -0.025022 0.390563 0.008875 -0.017550 302 C 22 X 0.044383 -0.014369 0.006718 0.010974 0.050164 303 C 22 Y 0.049644 -0.026997 -0.029066 0.041898 0.001888 304 C 22 Z 0.054395 -0.011525 0.181537 0.004346 -0.009206 305 C 22 XX -0.003635 0.002142 0.002547 -0.002911 0.000012 306 C 22 YY 0.000559 -0.001916 -0.002063 0.003775 -0.005698 307 C 22 ZZ 0.003076 -0.000226 -0.000484 -0.000864 0.005687 308 C 22 XY -0.008971 0.004520 0.001880 -0.006725 -0.001122 309 C 22 XZ 0.005847 -0.001197 0.021828 -0.000149 -0.000750 310 C 22 YZ 0.001196 -0.000234 0.001499 0.000531 -0.000655 311 H 23 S -0.143723 0.064332 0.030788 -0.082417 -0.065421 312 H 23 S -0.052433 0.023719 0.012023 -0.032014 -0.026397 313 H 23 X -0.006054 0.003328 0.002373 -0.004824 -0.000995 314 H 23 Y -0.006644 0.002594 0.000129 -0.002853 -0.004610 315 H 23 Z 0.003398 -0.000622 0.012154 0.000027 -0.000664 316 H 24 S 0.120900 -0.023348 0.291543 0.000369 0.042323 317 H 24 S 0.043120 -0.008117 0.113637 -0.002333 0.016780 318 H 24 X -0.003811 0.000313 -0.016660 0.000651 0.000426 319 H 24 Y 0.005008 -0.002117 0.002368 0.002898 0.000901 320 H 24 Z -0.005471 0.001029 -0.010093 0.000188 -0.003606 321 H 25 S -0.049162 0.009000 -0.282047 -0.003769 0.063118 322 H 25 S -0.022950 0.005354 -0.107628 -0.003512 0.024764 323 H 25 X 0.005937 -0.001492 0.015090 0.000887 -0.000368 324 H 25 Y 0.002925 -0.001726 -0.003638 0.002780 0.000720 325 H 25 Z -0.000478 -0.000081 -0.010708 -0.000093 0.004419 326 C 26 S -0.000203 -0.001010 -0.000393 0.001121 0.000121 327 C 26 S 0.001714 0.003046 0.003050 -0.003840 -0.001334 328 C 26 S -0.001717 0.009226 0.009088 -0.005760 0.004662 329 C 26 X -0.135513 -0.170077 0.038995 -0.041283 0.119437 330 C 26 Y 0.033660 -0.005433 -0.050424 -0.163845 0.096906 331 C 26 Z 0.019879 -0.121321 -0.005348 0.047698 -0.019605 332 C 26 X -0.052461 -0.071949 0.017208 -0.017200 0.060468 333 C 26 Y 0.013758 -0.003944 -0.022375 -0.070608 0.041870 334 C 26 Z 0.006900 -0.051593 0.001197 0.016813 -0.005887 335 C 26 XX -0.004507 0.001560 0.002838 0.005063 -0.001150 336 C 26 YY 0.002469 0.008859 -0.002034 -0.004673 0.000454 337 C 26 ZZ 0.002038 -0.010419 -0.000804 -0.000390 0.000696 338 C 26 XY 0.005419 0.006454 -0.000354 0.007283 -0.007859 339 C 26 XZ 0.002797 0.001023 -0.001178 0.001580 -0.000672 340 C 26 YZ -0.001481 -0.004289 0.001244 0.005148 -0.002990 341 H 27 S 0.064527 0.140679 0.006424 0.112018 -0.128177 342 H 27 S 0.024710 0.049800 0.002418 0.040553 -0.049549 343 H 27 X 0.000248 0.004779 0.001793 0.005879 -0.005303 344 H 27 Y 0.005061 0.008819 -0.000961 0.001302 -0.005003 345 H 27 Z 0.001815 0.000157 0.000048 0.004002 -0.003682 346 H 28 S 0.039073 0.076519 -0.040405 -0.140548 0.063456 347 H 28 S 0.016009 0.029163 -0.014445 -0.054217 0.029489 348 H 28 X -0.003619 -0.003861 0.000562 -0.003722 0.004226 349 H 28 Y -0.002355 -0.006156 0.001679 0.006877 -0.002261 350 H 28 Z 0.002512 0.000492 -0.001998 -0.005001 0.002369 351 H 29 S -0.122540 -0.091571 0.048880 0.004070 0.064709 352 H 29 S -0.050558 -0.029846 0.018031 -0.001000 0.021310 353 H 29 X 0.005834 0.002759 -0.003037 -0.001703 -0.001960 354 H 29 Y -0.003243 -0.003453 0.000459 -0.004739 0.005387 355 H 29 Z -0.003436 -0.005273 0.001408 0.001479 0.001368 356 C 30 S 0.001231 0.001224 -0.000123 -0.001355 0.000796 357 C 30 S -0.001641 -0.002657 -0.001975 0.005140 0.000867 358 C 30 S -0.019033 -0.012637 0.003923 0.024529 -0.000574 359 C 30 X 0.206902 0.100715 -0.067319 0.077290 0.142021 360 C 30 Y -0.043377 0.141939 0.038359 -0.104541 0.035671 361 C 30 Z -0.074870 -0.058485 0.034574 0.080453 -0.007034 362 C 30 X 0.083796 0.044590 -0.027335 0.033304 0.073953 363 C 30 Y -0.016500 0.055444 0.013203 -0.044136 0.016732 364 C 30 Z -0.026168 -0.023104 0.014022 0.027101 -0.006165 365 C 30 XX -0.005873 0.004397 0.003597 -0.003647 0.001036 366 C 30 YY -0.000754 -0.005499 0.000042 0.006787 -0.000309 367 C 30 ZZ 0.006627 0.001102 -0.003639 -0.003140 -0.000727 368 C 30 XY 0.010373 0.006369 -0.003990 0.003989 0.008743 369 C 30 XZ 0.002868 0.001482 -0.001379 0.002026 0.002728 370 C 30 YZ -0.000710 0.005109 -0.000008 -0.005074 0.000594 371 H 31 S 0.009843 -0.131737 -0.016954 0.122291 -0.024547 372 H 31 S 0.002376 -0.050161 -0.007375 0.046927 -0.009152 373 H 31 X 0.006408 0.003786 -0.001850 0.001634 0.003933 374 H 31 Y -0.000842 -0.006609 -0.000559 0.007058 -0.000960 375 H 31 Z -0.002246 0.004682 0.001598 -0.003448 0.001005 376 H 32 S -0.191420 -0.030276 0.076033 -0.078888 -0.090602 377 H 32 S -0.068668 -0.007447 0.029205 -0.027573 -0.025885 378 H 32 X -0.008925 0.000957 0.003697 -0.003066 -0.001809 379 H 32 Y 0.007489 0.005669 -0.002162 0.000117 0.004667 380 H 32 Z 0.003534 -0.000735 -0.001293 0.004176 0.002550 381 H 33 S 0.107450 0.128647 -0.023459 0.024394 0.118503 382 H 33 S 0.037465 0.048596 -0.007781 0.008292 0.042373 383 H 33 X -0.001884 -0.006621 -0.000310 0.000626 -0.004487 384 H 33 Y -0.006964 -0.002194 0.002366 -0.004467 -0.004868 385 H 33 Z -0.003937 -0.004407 0.001195 0.001346 -0.003002 386 H 34 S 0.022679 -0.058103 -0.036180 0.122467 -0.022816 387 H 34 S 0.007488 -0.021381 -0.013324 0.048931 -0.005077 388 H 34 X 0.002329 -0.003722 -0.000418 0.000872 0.003294 389 H 34 Y -0.003055 0.006643 0.002160 0.001888 -0.000367 390 H 34 Z 0.000523 -0.000321 0.001380 -0.009912 0.002757 391 F 35 S -0.000762 0.000528 0.000228 0.000412 0.001419 392 F 35 S -0.002038 0.001461 0.000490 0.000922 0.001912 393 F 35 S 0.002190 -0.001345 -0.000666 -0.001614 -0.007217 394 F 35 X 0.080136 -0.039780 -0.026358 -0.030814 -0.127783 395 F 35 Y -0.021842 -0.040161 -0.000663 0.041493 0.004539 396 F 35 Z 0.042512 -0.016176 -0.013713 -0.002066 -0.042916 397 F 35 X 0.059234 -0.030247 -0.019433 -0.022809 -0.095742 398 F 35 Y -0.015524 -0.028439 -0.000364 0.030165 0.003750 399 F 35 Z 0.033323 -0.013899 -0.010941 -0.002806 -0.038260 400 F 35 XX 0.001667 -0.000798 -0.000520 -0.000542 -0.002253 401 F 35 YY -0.000863 0.000401 0.000268 0.000342 0.001270 402 F 35 ZZ -0.000803 0.000397 0.000251 0.000200 0.000983 403 F 35 XY 0.000119 -0.000336 -0.000076 0.000104 -0.000364 404 F 35 XZ -0.000470 0.000428 0.000156 0.000364 0.001060 405 F 35 YZ 0.000027 0.000175 0.000027 -0.000084 0.000114 406 F 36 S -0.001116 0.000896 0.000341 0.000489 0.001884 407 F 36 S -0.003390 0.001428 0.001051 0.000305 0.002376 408 F 36 S 0.004456 -0.006951 -0.001402 -0.004596 -0.016085 409 F 36 X 0.056209 -0.046571 -0.014824 -0.036358 -0.084537 410 F 36 Y -0.030232 -0.045062 0.002093 0.050058 0.013554 411 F 36 Z 0.062085 -0.039329 -0.019907 -0.016883 -0.090396 412 F 36 X 0.043024 -0.035383 -0.011476 -0.027194 -0.066116 413 F 36 Y -0.022738 -0.034152 0.001555 0.038027 0.010410 414 F 36 Z 0.045784 -0.030609 -0.014704 -0.013145 -0.070142 415 F 36 XX -0.000880 0.000535 0.000242 0.000359 0.001204 416 F 36 YY -0.000813 0.000522 0.000263 0.000216 0.001199 417 F 36 ZZ 0.001692 -0.001057 -0.000505 -0.000574 -0.002403 418 F 36 XY 0.000016 0.000128 -0.000010 -0.000040 0.000002 419 F 36 XZ 0.000308 -0.000515 -0.000030 -0.000380 -0.000279 420 F 36 YZ -0.000519 -0.000303 0.000094 0.000487 0.000405 421 C 37 S -0.000224 -0.002993 0.000383 -0.002764 0.001413 422 C 37 S -0.012661 0.025578 0.002886 0.053414 -0.008691 423 C 37 S 0.013896 0.058538 -0.007440 0.070250 -0.052007 424 C 37 X 0.022874 0.070454 -0.010911 -0.063146 -0.073610 425 C 37 Y 0.007902 -0.013805 0.008089 0.079959 0.004063 426 C 37 Z 0.028955 0.020841 0.002560 0.009556 -0.015113 427 C 37 X 0.000113 0.029466 -0.001173 -0.022563 -0.012505 428 C 37 Y -0.006604 -0.012570 0.005953 0.025527 0.009459 429 C 37 Z 0.014976 0.008602 0.002357 0.002140 -0.003249 430 C 37 XX -0.000312 0.007874 -0.000385 -0.002000 -0.003642 431 C 37 YY -0.000104 -0.005795 0.000866 0.002857 0.002215 432 C 37 ZZ 0.000416 -0.002078 -0.000481 -0.000858 0.001427 433 C 37 XY -0.000106 -0.004433 -0.000598 -0.009608 0.000488 434 C 37 XZ -0.000550 -0.002051 -0.000506 -0.000525 0.000763 435 C 37 YZ 0.002000 -0.006793 -0.000662 0.000602 -0.000009 436 S 38 S -0.000344 -0.000085 0.000005 0.000237 -0.000676 437 S 38 S -0.001808 -0.000750 0.000067 0.001606 -0.003642 438 S 38 S 0.028211 -0.008127 0.002832 -0.001320 0.046249 439 S 38 S 0.055774 -0.009853 0.001786 -0.020943 0.090188 440 S 38 X 0.000248 -0.000489 0.000030 -0.000836 0.000471 441 S 38 Y -0.000345 -0.000578 0.000024 -0.000335 -0.001305 442 S 38 Z 0.000096 0.000369 -0.000112 -0.000036 0.000012 443 S 38 X -0.023733 0.038828 0.003143 0.040841 0.004024 444 S 38 Y 0.014159 0.019979 0.003042 0.019140 0.097899 445 S 38 Z -0.019397 -0.026703 0.008206 0.000548 -0.005458 446 S 38 X -0.005147 0.013758 -0.001327 0.022062 -0.009786 447 S 38 Y 0.009372 0.008445 0.002543 0.016897 0.056031 448 S 38 Z -0.014827 -0.018386 0.002836 0.001929 -0.003696 449 S 38 XX -0.003885 0.005228 0.000986 0.014087 0.012092 450 S 38 YY 0.000399 -0.004646 -0.000900 -0.012299 -0.020487 451 S 38 ZZ 0.003486 -0.000582 -0.000086 -0.001788 0.008395 452 S 38 XY -0.000726 -0.005150 -0.001365 -0.007626 -0.002387 453 S 38 XZ 0.001952 -0.003099 -0.000857 -0.000278 -0.000835 454 S 38 YZ 0.004853 0.001496 -0.003860 -0.000039 -0.000237 455 S 38 XX -0.000752 0.001108 0.000202 0.002520 0.002363 456 S 38 YY 0.000073 -0.001011 -0.000183 -0.002278 -0.003873 457 S 38 ZZ 0.000679 -0.000097 -0.000019 -0.000241 0.001511 458 S 38 XY -0.000174 -0.000678 -0.000229 -0.001077 -0.000750 459 S 38 XZ 0.000348 -0.000433 -0.000147 -0.000025 -0.000161 460 S 38 YZ 0.000750 0.000245 -0.000629 -0.000059 -0.000052 461 H 39 S 0.009046 0.084423 -0.009065 -0.031739 -0.070434 462 H 39 S 0.002533 0.031536 -0.002611 -0.016025 -0.026290 463 H 39 X -0.000059 -0.005856 0.000561 0.001289 0.004539 464 H 39 Y 0.000445 0.000813 0.000063 0.002109 -0.001014 465 H 39 Z 0.001352 0.000717 -0.000050 0.000117 -0.000647 86 87 88 89 90 -0.5561 -0.5495 -0.5431 -0.5147 -0.5069 A A A A A 1 C 1 S -0.000063 -0.000185 0.000294 -0.000965 -0.000828 2 C 1 S -0.003952 -0.004793 -0.006080 -0.008176 -0.000333 3 C 1 S -0.022482 -0.023473 -0.003145 0.025895 0.030786 4 C 1 X -0.110124 -0.136461 0.074670 -0.017432 0.008190 5 C 1 Y 0.092225 0.118614 -0.103803 0.008265 0.026926 6 C 1 Z 0.013048 0.013060 -0.016127 0.001274 0.007789 7 C 1 X -0.037648 -0.062188 0.036922 -0.033139 -0.013453 8 C 1 Y 0.044462 0.071258 -0.065273 -0.008965 0.015676 9 C 1 Z 0.005982 0.006955 -0.009207 0.002536 0.001956 10 C 1 XX 0.010007 0.011901 -0.003010 0.003430 0.000727 11 C 1 YY -0.012456 -0.013105 0.004357 -0.003014 0.000291 12 C 1 ZZ 0.002449 0.001205 -0.001346 -0.000416 -0.001018 13 C 1 XY -0.001226 0.002675 -0.004174 0.003025 0.002625 14 C 1 XZ -0.001127 -0.000708 0.000187 -0.000378 0.000477 15 C 1 YZ 0.000436 -0.002232 -0.002391 -0.000940 0.002127 16 C 2 S -0.002332 -0.001134 -0.001660 -0.000211 0.001053 17 C 2 S 0.021035 0.018450 -0.010460 -0.011661 0.002475 18 C 2 S 0.063658 0.031405 0.008087 -0.047043 -0.045398 19 C 2 X 0.091851 0.108235 -0.078767 0.008445 -0.004477 20 C 2 Y -0.089375 -0.147005 -0.013457 -0.082728 0.002533 21 C 2 Z -0.006400 -0.018731 -0.003283 -0.004816 0.006477 22 C 2 X 0.041059 0.043256 -0.035262 -0.025829 -0.023438 23 C 2 Y -0.029859 -0.063036 0.003336 -0.013816 -0.001518 24 C 2 Z -0.002203 -0.006935 -0.001898 0.000413 0.000561 25 C 2 XX 0.010553 0.013032 -0.008445 -0.000432 -0.000068 26 C 2 YY -0.011209 -0.012905 0.009279 -0.000100 -0.000377 27 C 2 ZZ 0.000656 -0.000127 -0.000834 0.000532 0.000445 28 C 2 XY 0.001736 0.004857 0.004884 0.005436 0.000533 29 C 2 XZ -0.000576 -0.000607 0.000674 0.000915 0.000017 30 C 2 YZ -0.000226 -0.001960 -0.000863 -0.001019 0.001616 31 C 3 S 0.000654 0.000885 0.000653 -0.001520 0.000177 32 C 3 S -0.032059 -0.037506 0.034918 0.027956 0.005175 33 C 3 S -0.038777 -0.049911 0.002839 -0.084447 -0.039716 34 C 3 X -0.067895 -0.069544 0.137242 0.023806 -0.020584 35 C 3 Y 0.084458 0.140095 0.034154 0.116915 -0.000204 36 C 3 Z 0.010387 -0.012489 -0.015843 -0.004563 0.034187 37 C 3 X -0.043853 -0.018250 0.068557 0.039251 0.012949 38 C 3 Y 0.068682 0.079761 0.007485 0.022683 -0.035984 39 C 3 Z 0.002356 0.001633 -0.000712 0.005415 0.003648 40 C 3 XX 0.003124 0.012712 -0.000922 0.004027 -0.003196 41 C 3 YY -0.003960 -0.011439 0.004575 -0.003154 -0.000098 42 C 3 ZZ 0.000837 -0.001273 -0.003653 -0.000873 0.003294 43 C 3 XY -0.008605 0.000604 0.009840 0.005089 -0.006306 44 C 3 XZ -0.000890 0.000174 0.000075 -0.002251 0.004454 45 C 3 YZ -0.000044 -0.000568 -0.000200 -0.001664 0.003313 46 C 4 S 0.000744 -0.001342 -0.001282 -0.000614 0.000478 47 C 4 S -0.014900 0.030642 0.017807 -0.014881 -0.012575 48 C 4 S -0.051726 0.056070 0.050093 0.001832 -0.001905 49 C 4 X 0.018338 0.002133 -0.054706 -0.044171 0.021978 50 C 4 Y -0.002944 0.007906 -0.096510 -0.056332 -0.060140 51 C 4 Z 0.025084 -0.045593 -0.114856 -0.107191 0.218077 52 C 4 X 0.014934 0.008818 -0.031438 -0.023736 0.008529 53 C 4 Y -0.034289 0.031364 -0.040350 -0.040999 -0.021517 54 C 4 Z 0.033184 -0.031433 -0.093085 -0.089057 0.148208 55 C 4 XX 0.002016 0.003927 0.008088 0.007618 -0.000890 56 C 4 YY -0.002246 -0.006174 0.002140 0.003951 -0.008828 57 C 4 ZZ 0.000230 0.002247 -0.010227 -0.011569 0.009717 58 C 4 XY -0.003574 -0.003914 0.006754 0.008296 0.004517 59 C 4 XZ 0.002541 -0.004836 0.006479 0.001088 -0.001248 60 C 4 YZ -0.005359 0.002649 0.011659 -0.000375 0.013591 61 S 5 S -0.000051 0.000178 -0.000097 0.000092 0.000289 62 S 5 S -0.000844 0.001121 -0.000910 0.000720 0.002011 63 S 5 S -0.025702 -0.002786 -0.013286 0.005628 0.000125 64 S 5 S -0.038173 -0.015579 -0.012194 0.003740 -0.004817 65 S 5 X 0.000555 0.000587 0.000217 0.000360 -0.000310 66 S 5 Y -0.000288 -0.000067 -0.001155 0.000065 0.000953 67 S 5 Z -0.000280 0.000164 0.000745 0.000020 -0.000622 68 S 5 X -0.020394 -0.049952 -0.015685 -0.014139 0.003240 69 S 5 Y 0.008326 0.016162 0.040785 0.004950 -0.034460 70 S 5 Z 0.011351 -0.012808 -0.042052 -0.012629 0.052464 71 S 5 X -0.012143 -0.031082 -0.012510 -0.004360 0.004030 72 S 5 Y 0.005406 0.005715 0.030607 -0.008474 -0.025481 73 S 5 Z 0.003854 -0.008425 -0.031975 -0.004354 0.036543 74 S 5 XX 0.003488 0.011978 0.004763 0.005031 -0.002921 75 S 5 YY -0.005298 -0.005252 -0.001984 -0.002379 0.000164 76 S 5 ZZ 0.001810 -0.006726 -0.002779 -0.002652 0.002756 77 S 5 XY 0.002819 -0.000592 -0.013616 -0.000402 0.008156 78 S 5 XZ -0.001777 -0.000665 0.003398 0.002154 -0.007024 79 S 5 YZ -0.001038 0.000451 -0.000009 -0.001183 0.003366 80 S 5 XX 0.000352 0.001524 0.000800 0.000934 -0.000504 81 S 5 YY -0.000745 -0.000457 -0.000317 -0.000394 0.000043 82 S 5 ZZ 0.000394 -0.001067 -0.000484 -0.000540 0.000461 83 S 5 XY 0.000287 -0.000281 -0.002458 -0.000363 0.001448 84 S 5 XZ -0.000465 0.000078 0.000567 0.000417 -0.001108 85 S 5 YZ -0.000000 0.000016 -0.000089 -0.000303 0.000579 86 H 6 S 0.018593 0.045861 0.052756 0.045638 0.002194 87 H 6 S 0.000488 0.012616 0.022975 0.039596 0.007014 88 H 6 X 0.003941 0.005761 0.000486 0.003784 0.000913 89 H 6 Y -0.000845 -0.000145 0.003150 0.001424 0.000326 90 H 6 Z -0.000148 -0.000274 0.000214 -0.000204 -0.000095 91 C 7 S -0.000659 -0.000041 -0.001343 -0.000879 0.001093 92 C 7 S 0.064296 -0.024282 0.043463 -0.017169 -0.009073 93 C 7 S 0.086550 -0.032020 0.103897 0.104532 0.026890 94 C 7 X 0.113880 -0.111876 0.081433 -0.010539 -0.042038 95 C 7 Y 0.098645 0.047269 0.139873 0.089709 0.087296 96 C 7 Z 0.020999 -0.031478 -0.032100 0.068103 -0.056230 97 C 7 X 0.076656 -0.064139 0.032129 -0.031489 -0.040903 98 C 7 Y 0.089969 0.031475 0.083562 -0.011792 0.056048 99 C 7 Z 0.009046 -0.013058 -0.013279 0.043819 -0.021936 100 C 7 XX -0.002664 -0.002019 -0.012982 0.002475 -0.004103 101 C 7 YY 0.008114 -0.001440 0.015306 -0.000967 0.003020 102 C 7 ZZ -0.005449 0.003459 -0.002324 -0.001508 0.001083 103 C 7 XY -0.003350 -0.001436 -0.000979 0.005045 0.006002 104 C 7 XZ -0.000283 0.000124 0.000475 -0.000375 -0.002288 105 C 7 YZ 0.001781 -0.000642 0.000234 0.000189 -0.001170 106 C 8 S 0.000008 0.000094 0.000251 0.000540 0.000701 107 C 8 S 0.011730 0.013197 0.011624 0.000891 0.007197 108 C 8 S 0.016281 0.001212 0.018299 0.009023 0.003346 109 C 8 X 0.041999 0.027990 0.055023 -0.035048 0.056237 110 C 8 Y 0.104191 -0.080643 0.031609 0.119203 0.057734 111 C 8 Z 0.026208 -0.029454 -0.003785 0.047190 -0.030264 112 C 8 X 0.018214 0.013707 0.041823 0.002391 0.042505 113 C 8 Y 0.059890 -0.035624 0.019295 0.050584 0.033147 114 C 8 Z 0.015942 -0.018327 -0.004564 0.027517 -0.019022 115 C 8 XX -0.001677 -0.009034 -0.006140 0.003620 -0.006853 116 C 8 YY 0.004767 0.005377 0.005433 -0.000004 0.006023 117 C 8 ZZ -0.003089 0.003657 0.000707 -0.003616 0.000830 118 C 8 XY 0.007708 -0.004384 0.003440 0.013192 0.008804 119 C 8 XZ -0.001357 0.000764 0.000122 -0.001417 0.002502 120 C 8 YZ -0.002504 0.005360 0.002816 -0.003538 0.006905 121 C 9 S 0.000036 -0.000131 0.001599 0.001955 0.000540 122 C 9 S -0.003634 -0.006140 -0.037245 0.006779 0.002658 123 C 9 S 0.009438 -0.008944 -0.077451 -0.037884 0.010589 124 C 9 X -0.030721 0.035439 -0.051115 0.115756 0.080475 125 C 9 Y 0.030232 -0.069666 -0.012432 0.064515 0.104985 126 C 9 Z 0.057883 -0.100013 -0.053606 0.082361 -0.178168 127 C 9 X -0.009476 0.005470 -0.029896 0.069667 0.029434 128 C 9 Y -0.032582 -0.014595 0.013096 0.047217 0.040143 129 C 9 Z 0.043497 -0.074052 -0.037334 0.054347 -0.123324 130 C 9 XX 0.004552 -0.011150 -0.002768 0.000229 -0.001908 131 C 9 YY -0.000225 0.003673 0.005086 0.007218 -0.005333 132 C 9 ZZ -0.004326 0.007478 -0.002318 -0.007447 0.007241 133 C 9 XY -0.008764 0.003683 -0.010713 0.011800 0.006291 134 C 9 XZ -0.007094 0.006869 -0.009533 0.009043 0.006407 135 C 9 YZ 0.008248 -0.009597 -0.001834 0.002670 0.015118 136 C 10 S 0.000325 0.000595 -0.000284 -0.002647 -0.001503 137 C 10 S -0.037699 -0.012196 -0.013912 0.019091 0.007945 138 C 10 S -0.014139 0.002354 0.009407 0.082826 0.039786 139 C 10 X -0.048091 -0.025897 -0.047830 -0.062478 0.006836 140 C 10 Y -0.058213 0.116958 -0.121450 0.034789 -0.049385 141 C 10 Z 0.030941 -0.026046 -0.003973 0.059115 -0.023089 142 C 10 X 0.042986 -0.020814 -0.043829 -0.224800 -0.051736 143 C 10 Y -0.043134 0.040145 -0.073802 -0.009290 -0.046486 144 C 10 Z 0.006865 -0.012977 -0.003136 0.045838 -0.013789 145 C 10 XX -0.000751 0.000372 -0.010353 -0.001644 -0.009287 146 C 10 YY 0.002078 -0.000943 0.011127 0.004175 0.007495 147 C 10 ZZ -0.001327 0.000572 -0.000774 -0.002532 0.001792 148 C 10 XY -0.003566 0.000810 -0.001314 -0.010192 -0.004315 149 C 10 XZ 0.003190 -0.001861 0.000041 0.000399 -0.002667 150 C 10 YZ -0.000039 -0.001398 0.000585 0.003826 -0.001832 151 C 11 S -0.000711 -0.000613 -0.000284 0.002073 -0.000125 152 C 11 S 0.032324 0.026990 -0.000637 -0.019866 -0.002274 153 C 11 S 0.008467 0.023722 -0.004581 -0.097176 -0.026917 154 C 11 X 0.075468 0.029697 -0.039212 0.069735 0.065808 155 C 11 Y 0.012329 -0.119397 0.123339 0.021315 0.073714 156 C 11 Z 0.024219 -0.013365 -0.013700 0.011931 0.001530 157 C 11 X -0.009459 0.008063 0.020808 0.230023 0.126260 158 C 11 Y -0.019040 -0.073168 0.046234 0.014627 0.036927 159 C 11 Z 0.013049 -0.011767 -0.006783 0.006767 0.008279 160 C 11 XX -0.000656 0.010589 0.000261 0.006466 -0.004626 161 C 11 YY 0.000291 -0.011010 0.000683 -0.009215 0.001828 162 C 11 ZZ 0.000365 0.000421 -0.000944 0.002749 0.002798 163 C 11 XY -0.003674 0.003210 0.000970 -0.009039 -0.007420 164 C 11 XZ -0.000752 0.000545 -0.000761 0.001462 0.002632 165 C 11 YZ 0.001259 -0.001503 0.000894 0.003559 -0.002111 166 C 12 S -0.001886 0.000765 0.000610 0.006830 0.002608 167 C 12 S 0.026560 0.012372 -0.016008 -0.023985 -0.021566 168 C 12 S 0.101746 0.015092 -0.049419 -0.233445 -0.102848 169 C 12 X -0.015062 0.035426 0.001755 0.129253 -0.004859 170 C 12 Y -0.062388 -0.010261 0.034132 0.108953 0.040394 171 C 12 Z -0.034347 -0.003903 0.017774 0.058904 0.022579 172 C 12 X 0.016263 -0.001009 -0.005362 -0.023372 -0.015690 173 C 12 Y -0.029890 -0.007930 0.015778 0.080714 0.031079 174 C 12 Z -0.007666 -0.002942 0.004416 0.025491 0.016789 175 C 12 XX 0.000549 0.007247 -0.003867 0.003804 -0.005140 176 C 12 YY 0.004460 -0.005518 0.000724 -0.003848 0.001887 177 C 12 ZZ -0.005009 -0.001729 0.003143 0.000044 0.003253 178 C 12 XY 0.003211 0.002572 -0.007375 -0.014078 -0.005066 179 C 12 XZ 0.003696 -0.002035 -0.001521 -0.005649 -0.002786 180 C 12 YZ 0.006765 0.003188 -0.004154 -0.013356 -0.004349 181 C 13 S -0.000081 0.000702 -0.001218 0.001829 0.000015 182 C 13 S 0.008244 -0.001483 -0.020935 0.006616 0.015238 183 C 13 S 0.020519 -0.017999 -0.026804 -0.016358 0.032397 184 C 13 X 0.007757 -0.002787 -0.028843 0.020317 0.026896 185 C 13 Y 0.076409 0.003446 -0.024306 -0.231646 -0.090127 186 C 13 Z 0.015810 -0.002005 -0.022285 -0.017966 0.007077 187 C 13 X 0.006593 -0.006349 -0.008433 -0.003041 0.013849 188 C 13 Y 0.008084 -0.001552 -0.004106 -0.044366 -0.013563 189 C 13 Z 0.003834 -0.004978 -0.002907 -0.006678 0.001961 190 C 13 XX -0.002439 0.002272 0.001110 0.002076 -0.003242 191 C 13 YY 0.003000 -0.002655 -0.002784 -0.000063 0.005210 192 C 13 ZZ -0.000561 0.000383 0.001674 -0.002013 -0.001967 193 C 13 XY 0.009670 0.000467 -0.002143 -0.021056 -0.008744 194 C 13 XZ 0.001872 -0.000122 -0.003951 -0.000493 0.001846 195 C 13 YZ 0.005382 -0.000054 -0.002355 -0.013743 -0.004313 196 C 14 S 0.001499 -0.000145 -0.001405 -0.008329 -0.003447 197 C 14 S -0.031806 0.011451 -0.006568 0.024663 -0.006207 198 C 14 S -0.099635 0.016487 0.018220 0.262199 0.084821 199 C 14 X -0.016094 0.042522 -0.015689 -0.137924 -0.111423 200 C 14 Y -0.064584 0.013186 -0.008652 0.106410 0.030711 201 C 14 Z 0.015696 0.001056 -0.000210 -0.045564 -0.021076 202 C 14 X -0.009748 0.006075 0.004517 0.009255 -0.009316 203 C 14 Y -0.032505 0.003475 0.004014 0.102520 0.037853 204 C 14 Z 0.003510 0.000436 -0.002747 -0.007459 -0.004828 205 C 14 XX -0.006709 0.008122 -0.005525 0.001747 -0.005495 206 C 14 YY -0.000422 -0.004648 0.001958 0.004951 0.005200 207 C 14 ZZ 0.007131 -0.003474 0.003567 -0.006697 0.000295 208 C 14 XY 0.001218 0.000308 0.002985 -0.018263 -0.009809 209 C 14 XZ -0.001807 -0.000268 -0.000617 0.007560 0.002258 210 C 14 YZ 0.006366 -0.002071 0.000437 -0.009912 -0.003209 211 F 15 S 0.000954 0.000059 -0.000557 -0.001337 -0.000515 212 F 15 S 0.000922 -0.000191 0.000108 -0.002009 0.000502 213 F 15 S -0.009810 -0.001364 0.006564 0.014382 0.007339 214 F 15 X 0.006438 -0.020248 0.002681 -0.097116 0.010144 215 F 15 Y 0.054429 -0.006694 -0.018946 -0.064271 -0.021853 216 F 15 Z 0.036845 0.005480 -0.022420 -0.044430 -0.022001 217 F 15 X 0.004250 -0.014537 0.002328 -0.073217 0.009074 218 F 15 Y 0.042481 -0.004709 -0.014881 -0.053688 -0.018225 219 F 15 Z 0.029664 0.004560 -0.018085 -0.040612 -0.018798 220 F 15 XX 0.000390 0.000206 -0.000296 -0.000150 -0.000248 221 F 15 YY 0.000507 0.000156 -0.000324 -0.000525 -0.000307 222 F 15 ZZ -0.000897 -0.000362 0.000620 0.000675 0.000555 223 F 15 XY 0.000144 -0.000013 -0.000078 -0.000084 -0.000057 224 F 15 XZ 0.000416 0.000125 -0.000299 -0.000090 -0.000392 225 F 15 YZ -0.000478 0.000151 0.000066 0.000051 0.000051 226 F 16 S 0.000335 0.000228 -0.000405 -0.000587 -0.000714 227 F 16 S 0.001205 -0.002490 0.000983 0.001727 -0.000665 228 F 16 S -0.001250 -0.005586 0.005468 0.008499 0.006810 229 F 16 X 0.031547 -0.064339 0.015941 -0.075937 -0.005017 230 F 16 Y 0.050019 0.018642 -0.034552 -0.086372 -0.038542 231 F 16 Z 0.014018 0.002859 -0.004292 -0.026800 -0.002443 232 F 16 X 0.023648 -0.048189 0.012469 -0.057477 -0.003465 233 F 16 Y 0.038763 0.013176 -0.027351 -0.071755 -0.032914 234 F 16 Z 0.011331 0.003530 -0.004161 -0.025040 -0.004224 235 F 16 XX 0.000490 0.000188 -0.000243 -0.000278 -0.000305 236 F 16 YY -0.000622 -0.000395 0.000404 0.000424 0.000428 237 F 16 ZZ 0.000132 0.000207 -0.000161 -0.000146 -0.000124 238 F 16 XY -0.000080 0.000889 -0.000594 -0.000646 -0.000074 239 F 16 XZ 0.000109 -0.000494 0.000234 0.000125 -0.000005 240 F 16 YZ 0.000608 0.000236 -0.000452 -0.000470 -0.000480 241 F 17 S -0.000561 0.000420 -0.000008 0.000542 -0.000054 242 F 17 S 0.000454 -0.000680 0.000570 -0.000932 0.000407 243 F 17 S 0.006284 -0.005271 0.000150 -0.006781 0.001639 244 F 17 X 0.019060 -0.046414 0.023795 0.093959 0.074582 245 F 17 Y 0.059442 -0.022910 0.015289 -0.078514 -0.018150 246 F 17 Z 0.000854 -0.007984 0.004322 0.008413 0.010773 247 F 17 X 0.013512 -0.035610 0.018339 0.072391 0.058034 248 F 17 Y 0.046240 -0.017499 0.010364 -0.067376 -0.016842 249 F 17 Z -0.000819 -0.005601 0.003173 0.010101 0.009460 250 F 17 XX -0.000653 0.000317 -0.000267 0.000431 -0.000088 251 F 17 YY 0.000603 -0.000316 0.000253 -0.000277 0.000091 252 F 17 ZZ 0.000050 -0.000002 0.000014 -0.000154 -0.000003 253 F 17 XY 0.000248 -0.000308 0.000205 -0.000300 -0.000140 254 F 17 XZ 0.000227 -0.000357 0.000205 0.000016 0.000081 255 F 17 YZ 0.000973 -0.000505 0.000323 -0.000782 0.000038 256 F 18 S -0.000662 0.000319 -0.000261 0.001479 0.000325 257 F 18 S -0.000547 0.000023 0.000654 0.000971 0.001009 258 F 18 S 0.007745 -0.003516 0.003339 -0.017956 -0.002638 259 F 18 X 0.009199 -0.037338 0.024876 0.087146 0.072208 260 F 18 Y 0.044928 -0.004924 0.006735 -0.073286 -0.021483 261 F 18 Z -0.019251 0.004338 -0.008306 0.042606 0.013467 262 F 18 X 0.006434 -0.028899 0.018666 0.066669 0.056348 263 F 18 Y 0.035213 -0.003179 0.005189 -0.063773 -0.019713 264 F 18 Z -0.016399 0.003677 -0.005596 0.037169 0.011893 265 F 18 XX -0.000436 0.000166 -0.000167 0.000244 -0.000136 266 F 18 YY -0.000295 0.000148 -0.000094 0.000413 0.000073 267 F 18 ZZ 0.000731 -0.000313 0.000261 -0.000657 0.000063 268 F 18 XY 0.000192 -0.000077 0.000139 -0.000359 -0.000154 269 F 18 XZ -0.000373 0.000393 -0.000378 0.000387 -0.000043 270 F 18 YZ -0.000635 0.000170 -0.000172 0.000636 0.000035 271 C 19 S 0.000726 -0.000530 0.000417 0.000259 0.000144 272 C 19 S 0.008758 -0.003100 0.006490 0.013019 0.012911 273 C 19 S -0.000183 0.002053 -0.003731 0.010578 0.009594 274 C 19 X -0.102788 -0.072019 -0.134976 0.017630 -0.051379 275 C 19 Y -0.053841 0.085124 0.017261 -0.101466 -0.061055 276 C 19 Z -0.058795 0.059914 0.012497 -0.050997 0.026400 277 C 19 X -0.045071 -0.038261 -0.066427 0.012997 -0.024695 278 C 19 Y -0.018949 0.040003 0.016557 -0.046272 -0.025449 279 C 19 Z -0.027800 0.030040 0.007604 -0.026655 0.015451 280 C 19 XX -0.003735 -0.007612 -0.008004 0.006590 -0.001718 281 C 19 YY 0.005273 0.000910 0.004115 -0.000336 0.002609 282 C 19 ZZ -0.001537 0.006702 0.003889 -0.006254 -0.000892 283 C 19 XY 0.006880 -0.002215 0.003959 0.005303 0.003623 284 C 19 XZ 0.001825 -0.002040 -0.000402 0.001611 0.000324 285 C 19 YZ -0.001994 0.003105 0.001523 -0.002991 0.004449 286 H 20 S -0.078829 -0.084578 -0.123951 0.044364 -0.030510 287 H 20 S -0.031615 -0.036348 -0.050770 0.020881 -0.016165 288 H 20 X 0.004176 0.005393 0.007249 -0.003085 0.001151 289 H 20 Y -0.002956 0.001469 -0.001386 -0.002455 -0.001903 290 H 20 Z -0.001659 0.002021 0.000651 -0.001648 0.000894 291 H 21 S 0.029891 0.018772 0.026478 -0.021122 -0.041137 292 H 21 S 0.008497 0.008725 0.007837 -0.014538 -0.022107 293 H 21 X -0.002196 -0.001984 -0.003233 0.000550 -0.001808 294 H 21 Y -0.002933 0.001235 -0.000899 -0.001563 0.000739 295 H 21 Z 0.000287 0.003174 0.002309 -0.003092 -0.001858 296 C 22 S -0.000985 -0.001648 0.001036 0.000162 -0.000142 297 C 22 S -0.008482 -0.013356 0.009300 -0.003284 -0.002786 298 C 22 S -0.004302 0.006179 -0.006089 -0.010913 -0.001212 299 C 22 X 0.211668 0.233888 -0.038993 0.034259 -0.007520 300 C 22 Y -0.025819 -0.054349 0.098787 -0.005101 -0.023531 301 C 22 Z -0.031700 -0.002698 0.035760 -0.000617 -0.011603 302 C 22 X 0.099328 0.110361 -0.013389 0.023093 -0.001547 303 C 22 Y -0.007477 -0.015388 0.041866 -0.003226 -0.011156 304 C 22 Z -0.015686 -0.000189 0.018751 -0.000171 -0.005362 305 C 22 XX 0.001007 0.001606 -0.002076 0.000065 -0.000092 306 C 22 YY -0.013204 -0.015064 0.005687 -0.001699 0.000172 307 C 22 ZZ 0.012197 0.013458 -0.003612 0.001634 -0.000079 308 C 22 XY -0.001800 -0.000712 -0.005643 0.000268 0.002587 309 C 22 XZ -0.001067 0.000930 0.001501 0.000100 -0.000519 310 C 22 YZ -0.001468 -0.001917 0.000392 -0.000251 0.000297 311 H 23 S -0.119923 -0.117796 -0.037804 -0.019820 0.021092 312 H 23 S -0.047177 -0.046115 -0.014373 -0.007941 0.010518 313 H 23 X -0.000835 -0.000205 -0.003454 -0.000445 0.000781 314 H 23 Y -0.008759 -0.009374 0.000118 -0.001755 0.000626 315 H 23 Z -0.001187 -0.000289 0.000962 -0.000075 -0.000380 316 H 24 S 0.095274 0.130260 -0.005517 0.018110 -0.011313 317 H 24 S 0.041282 0.053981 -0.006563 0.006800 -0.005598 318 H 24 X 0.000710 -0.000578 -0.000712 -0.000194 0.000353 319 H 24 Y 0.001068 0.000781 0.002311 0.000273 -0.000774 320 H 24 Z -0.007990 -0.009520 0.001465 -0.001297 0.000507 321 H 25 S 0.128829 0.117687 -0.047653 0.017227 0.004185 322 H 25 S 0.053529 0.050828 -0.020794 0.007755 0.000637 323 H 25 X -0.000378 0.000816 0.001307 -0.000078 -0.000606 324 H 25 Y 0.000526 -0.000287 0.002107 0.000126 -0.000581 325 H 25 Z 0.009232 0.009174 -0.002615 0.001332 -0.000083 326 C 26 S -0.000398 0.001158 0.001761 -0.000177 -0.000469 327 C 26 S 0.002010 -0.001478 -0.005119 -0.005257 0.011222 328 C 26 S 0.006843 -0.015801 -0.014081 0.008776 0.003360 329 C 26 X 0.106731 -0.073254 0.151299 -0.142008 -0.033792 330 C 26 Y -0.158086 0.145133 0.089465 0.022962 -0.182130 331 C 26 Z -0.034203 0.073165 0.007086 -0.085557 0.174466 332 C 26 X 0.054305 -0.038176 0.079439 -0.083192 -0.020347 333 C 26 Y -0.069232 0.070040 0.049326 0.015811 -0.109609 334 C 26 Z -0.018136 0.028033 -0.003791 -0.041197 0.086159 335 C 26 XX 0.010852 -0.010445 -0.000687 -0.002224 0.003515 336 C 26 YY -0.004711 0.002446 -0.001268 0.008396 -0.009989 337 C 26 ZZ -0.006141 0.007999 0.001955 -0.006172 0.006474 338 C 26 XY -0.001744 0.000336 -0.010945 0.008063 0.009699 339 C 26 XZ -0.004841 0.004352 -0.004950 0.007638 0.003092 340 C 26 YZ 0.005821 -0.005111 -0.002078 -0.002559 0.015413 341 H 27 S 0.030151 -0.053824 -0.158849 0.102235 0.108667 342 H 27 S 0.015545 -0.023330 -0.059876 0.043983 0.045167 343 H 27 X 0.005467 -0.005917 -0.006187 0.002266 0.005340 344 H 27 Y -0.002579 0.000775 -0.006934 0.006258 0.000714 345 H 27 Z -0.000013 0.000368 -0.003498 0.000854 0.007222 346 H 28 S -0.125993 0.096096 0.041985 0.075426 -0.217143 347 H 28 S -0.056474 0.038582 0.009301 0.025387 -0.093541 348 H 28 X 0.001052 -0.000652 0.004893 -0.002776 -0.004375 349 H 28 Y 0.005248 -0.002754 -0.000273 -0.005186 0.010715 350 H 28 Z -0.006557 0.006193 0.001527 0.000843 -0.005317 351 H 29 S 0.150228 -0.131555 0.088254 -0.105457 -0.011338 352 H 29 S 0.058493 -0.054039 0.034807 -0.042618 -0.010637 353 H 29 X -0.008698 0.008238 -0.001882 0.003489 -0.000388 354 H 29 Y 0.000595 -0.000587 0.005184 -0.003183 -0.005398 355 H 29 Z 0.004017 -0.002532 0.003335 -0.005337 0.003666 356 C 30 S 0.001074 -0.001205 -0.001734 -0.000151 -0.000447 357 C 30 S -0.002983 0.005861 -0.001625 -0.014834 0.017299 358 C 30 S -0.012455 0.013353 0.022029 0.000362 0.006235 359 C 30 X 0.050582 -0.080772 0.114921 0.039363 -0.026623 360 C 30 Y -0.148371 0.101706 0.174400 -0.016813 0.124054 361 C 30 Z 0.011565 0.003962 0.071760 0.117415 -0.197978 362 C 30 X 0.023723 -0.044002 0.059473 0.019392 -0.014505 363 C 30 Y -0.069732 0.053989 0.088493 -0.011136 0.075949 364 C 30 Z 0.010929 0.000994 0.024661 0.054559 -0.095795 365 C 30 XX -0.007462 0.005520 0.010842 0.002651 0.002236 366 C 30 YY 0.005417 -0.003853 -0.001235 0.006057 -0.011726 367 C 30 ZZ 0.002044 -0.001667 -0.009606 -0.008709 0.009490 368 C 30 XY 0.001237 -0.004159 0.008360 0.002454 0.000552 369 C 30 XZ 0.001069 -0.002230 0.003054 0.001605 -0.000278 370 C 30 YZ -0.005820 0.003426 0.006211 -0.002903 0.013658 371 H 31 S 0.122661 -0.079568 -0.104363 0.060998 -0.188696 372 H 31 S 0.046379 -0.029989 -0.040691 0.025791 -0.083902 373 H 31 X 0.000796 -0.001786 0.003823 0.000845 0.000256 374 H 31 Y 0.005151 -0.003335 -0.002558 0.004179 -0.010085 375 H 31 Z -0.005099 0.003428 0.006740 0.000314 0.003895 376 H 32 S -0.099497 0.107803 0.009718 -0.012357 0.032972 377 H 32 S -0.040431 0.038288 0.003133 -0.008627 0.012102 378 H 32 X -0.006571 0.005947 0.003948 -0.000530 0.001643 379 H 32 Y 0.000573 -0.002111 0.004648 0.000854 0.002083 380 H 32 Z 0.003290 -0.003197 0.001253 0.003269 -0.006014 381 H 33 S -0.037384 -0.004740 0.191576 0.041826 0.012687 382 H 33 S -0.015419 -0.002637 0.078951 0.022988 0.001104 383 H 33 X 0.004205 -0.002147 -0.010297 -0.001390 -0.001302 384 H 33 Y -0.002414 0.002754 -0.004622 -0.002266 0.002925 385 H 33 Z 0.001125 0.000467 -0.003294 0.001511 -0.005247 386 H 34 S -0.041939 0.099835 0.052134 -0.084744 0.015818 387 H 34 S -0.021530 0.042720 0.019298 -0.042257 0.005305 388 H 34 X -0.003435 -0.000277 -0.002543 -0.000778 -0.001133 389 H 34 Y 0.000803 -0.002074 -0.001652 0.000769 -0.002432 390 H 34 Z 0.001703 -0.006096 -0.003740 0.004893 -0.000202 391 F 35 S 0.000128 -0.000162 -0.000145 -0.000044 0.000170 392 F 35 S 0.000139 -0.000547 0.000798 -0.000238 -0.000617 393 F 35 S -0.000693 0.000384 0.002348 0.000278 -0.001844 394 F 35 X -0.009001 0.004936 0.026556 -0.013791 -0.026265 395 F 35 Y -0.056462 -0.002549 0.016933 0.145489 0.053942 396 F 35 Z -0.010523 -0.001716 0.014829 0.010908 0.001842 397 F 35 X -0.006824 0.003841 0.019931 -0.009710 -0.019746 398 F 35 Y -0.041957 -0.002076 0.012939 0.114153 0.042253 399 F 35 Z -0.008385 -0.000024 0.011170 0.008810 -0.000299 400 F 35 XX -0.000197 0.000011 0.000534 -0.000019 -0.000274 401 F 35 YY 0.000085 0.000005 -0.000318 0.000011 0.000178 402 F 35 ZZ 0.000111 -0.000016 -0.000216 0.000008 0.000096 403 F 35 XY -0.000146 -0.000028 0.000100 -0.000189 -0.000177 404 F 35 XZ 0.000056 0.000008 -0.000266 0.000012 0.000182 405 F 35 YZ 0.000103 0.000002 -0.000039 -0.000040 0.000018 406 F 36 S 0.000172 -0.000018 -0.000350 -0.000100 0.000378 407 F 36 S 0.000549 -0.000416 0.000020 -0.000046 -0.000302 408 F 36 S -0.001029 -0.000484 0.004083 0.001260 -0.005377 409 F 36 X 0.000606 0.000318 0.012997 -0.007869 -0.015864 410 F 36 Y -0.059670 -0.004144 0.017361 0.142142 0.052725 411 F 36 Z -0.013953 -0.000222 0.021462 0.011202 -0.007755 412 F 36 X 0.000272 0.000818 0.009452 -0.005937 -0.012778 413 F 36 Y -0.046187 -0.003093 0.013620 0.113332 0.042340 414 F 36 Z -0.010663 0.000081 0.016506 0.009772 -0.006778 415 F 36 XX 0.000054 0.000038 -0.000253 0.000017 0.000181 416 F 36 YY 0.000153 0.000033 -0.000296 0.000021 0.000167 417 F 36 ZZ -0.000207 -0.000071 0.000548 -0.000037 -0.000348 418 F 36 XY 0.000087 0.000015 -0.000033 -0.000265 -0.000087 419 F 36 XZ 0.000087 -0.000008 -0.000048 0.000076 -0.000010 420 F 36 YZ -0.000217 -0.000025 -0.000042 -0.000251 -0.000113 421 C 37 S -0.001074 0.000340 -0.001583 -0.000613 0.000869 422 C 37 S -0.015729 0.010729 -0.026933 0.004523 0.008425 423 C 37 S 0.015469 0.001982 -0.024935 0.014632 0.021652 424 C 37 X 0.051441 -0.021125 0.073352 -0.060791 -0.063230 425 C 37 Y -0.049070 0.089229 0.046266 -0.161336 -0.041501 426 C 37 Z 0.015145 -0.024293 -0.008908 0.011162 -0.067910 427 C 37 X 0.012481 -0.010473 0.029907 -0.038975 -0.046172 428 C 37 Y -0.019184 0.039366 0.003067 -0.082817 -0.028319 429 C 37 Z 0.003610 -0.011650 -0.003220 0.010104 -0.030970 430 C 37 XX 0.005013 -0.009239 -0.001806 0.003118 -0.003109 431 C 37 YY -0.003172 0.006445 -0.001075 -0.000881 0.002417 432 C 37 ZZ -0.001841 0.002794 0.002881 -0.002237 0.000691 433 C 37 XY 0.004437 -0.003836 -0.002176 0.010164 0.007095 434 C 37 XZ -0.001239 0.002048 -0.000273 -0.000062 0.007351 435 C 37 YZ 0.000570 0.000411 -0.001063 0.001972 0.003150 436 S 38 S 0.001103 0.000133 0.000850 0.000570 0.000540 437 S 38 S 0.006062 0.000914 0.004181 0.002794 0.003498 438 S 38 S -0.056727 -0.006568 -0.059214 -0.041012 -0.007094 439 S 38 S -0.141989 -0.014060 -0.125199 -0.067554 -0.033456 440 S 38 X 0.000477 0.000643 0.000438 -0.001298 0.000721 441 S 38 Y 0.002864 0.000098 0.003008 0.000515 0.000869 442 S 38 Z -0.000237 0.000335 0.000323 -0.000490 0.000359 443 S 38 X 0.004132 -0.047084 -0.016423 0.047923 -0.055186 444 S 38 Y -0.132955 -0.021163 -0.169240 -0.083212 -0.058654 445 S 38 Z 0.027961 -0.039590 -0.024549 0.071394 -0.064704 446 S 38 X -0.004152 -0.020588 0.001649 0.055162 -0.025638 447 S 38 Y -0.075470 -0.006475 -0.101056 -0.062804 -0.029253 448 S 38 Z 0.021835 -0.029524 -0.016893 0.054975 -0.049752 449 S 38 XX -0.016059 -0.006188 -0.021565 0.002332 -0.012808 450 S 38 YY 0.027684 0.004533 0.032526 0.008130 0.015232 451 S 38 ZZ -0.011625 0.001655 -0.010961 -0.010461 -0.002424 452 S 38 XY 0.002204 0.004840 0.001244 0.004269 0.008195 453 S 38 XZ 0.002263 -0.002919 -0.000702 0.004683 -0.003584 454 S 38 YZ -0.002791 0.005450 0.004582 -0.006924 0.007912 455 S 38 XX -0.003011 -0.001105 -0.004224 0.000238 -0.002520 456 S 38 YY 0.005274 0.000863 0.006411 0.001609 0.003029 457 S 38 ZZ -0.002263 0.000241 -0.002188 -0.001846 -0.000510 458 S 38 XY 0.000692 0.001077 0.000801 0.000845 0.001412 459 S 38 XZ 0.000387 -0.000444 -0.000089 0.000639 -0.000547 460 S 38 YZ -0.000338 0.000754 0.000779 -0.001022 0.001153 461 H 39 S 0.044739 -0.033179 0.040133 -0.019666 -0.047816 462 H 39 S 0.019308 -0.018709 0.015430 -0.006408 -0.019035 463 H 39 X -0.002367 0.000964 -0.002556 0.000924 0.002281 464 H 39 Y -0.001171 0.001938 0.001847 -0.003460 -0.001633 465 H 39 Z 0.000503 -0.000863 -0.000342 0.000679 -0.002230 91 92 93 94 95 -0.5017 -0.4971 -0.4885 -0.4810 -0.4677 A A A A A 1 C 1 S 0.001293 0.000685 0.000236 0.000538 0.001330 2 C 1 S 0.004198 -0.001248 0.000770 -0.003227 -0.030244 3 C 1 S -0.021376 -0.019513 -0.004378 -0.017326 -0.076752 4 C 1 X -0.025812 -0.088089 -0.133024 -0.007620 -0.091493 5 C 1 Y -0.183483 -0.101795 -0.143447 -0.041280 -0.111342 6 C 1 Z -0.010165 0.000104 0.008404 0.015984 -0.003926 7 C 1 X -0.008887 -0.044929 -0.076159 0.002698 -0.034081 8 C 1 Y -0.121022 -0.070582 -0.106154 -0.026126 -0.080197 9 C 1 Z -0.007116 -0.002701 0.005227 0.003060 -0.007403 10 C 1 XX -0.002713 0.004549 0.008276 -0.000839 0.007997 11 C 1 YY 0.001193 -0.006882 -0.012366 0.000246 -0.011374 12 C 1 ZZ 0.001520 0.002333 0.004090 0.000592 0.003377 13 C 1 XY -0.023407 -0.012708 -0.023202 -0.003703 -0.006946 14 C 1 XZ -0.000411 -0.000830 -0.001593 -0.001019 -0.001278 15 C 1 YZ 0.000505 0.000141 0.001987 0.004078 -0.001341 16 C 2 S -0.000508 -0.000042 0.000269 -0.000513 -0.001666 17 C 2 S 0.006503 0.001126 0.038199 -0.002688 -0.001625 18 C 2 S 0.059678 0.024419 0.028709 0.020485 0.056107 19 C 2 X 0.017653 0.073380 0.124882 0.004204 0.065069 20 C 2 Y 0.072196 -0.026998 0.121467 -0.012778 -0.078789 21 C 2 Z -0.007661 -0.006090 0.008360 0.037371 -0.002823 22 C 2 X 0.013212 0.026686 0.048132 0.005528 0.035782 23 C 2 Y 0.066326 0.013156 0.106444 -0.004176 -0.021237 24 C 2 Z 0.000332 -0.002446 0.002519 0.011342 -0.002296 25 C 2 XX -0.005055 0.000934 -0.001274 -0.000186 -0.002016 26 C 2 YY 0.005587 -0.000203 0.001283 0.000343 0.002899 27 C 2 ZZ -0.000532 -0.000731 -0.000009 -0.000157 -0.000883 28 C 2 XY -0.014736 -0.008511 -0.023983 -0.001126 0.002257 29 C 2 XZ -0.000216 -0.000780 -0.000876 -0.000443 -0.000464 30 C 2 YZ -0.001151 0.000505 0.001807 0.007303 0.002026 31 C 3 S -0.000961 0.000055 0.001597 0.000590 -0.000812 32 C 3 S -0.001203 0.017332 0.027588 0.002336 0.040808 33 C 3 S 0.040154 0.000127 -0.077743 0.032954 0.091919 34 C 3 X 0.012084 0.003497 -0.072390 0.028017 0.162189 35 C 3 Y -0.085789 0.036899 -0.106041 0.004614 0.123774 36 C 3 Z -0.045840 0.005386 0.015077 0.124601 0.035389 37 C 3 X -0.026340 0.024989 -0.013475 0.005060 0.100497 38 C 3 Y 0.024240 0.052838 -0.069356 0.026065 0.121429 39 C 3 Z -0.023586 0.003525 0.015503 0.069145 0.017303 40 C 3 XX -0.000216 0.008418 -0.008017 0.005957 0.007172 41 C 3 YY -0.000732 -0.009108 0.005813 -0.003910 -0.007080 42 C 3 ZZ 0.000948 0.000689 0.002204 -0.002047 -0.000091 43 C 3 XY -0.008879 0.001581 -0.016744 0.000465 0.014460 44 C 3 XZ -0.000217 0.002895 -0.003867 -0.010663 0.003725 45 C 3 YZ -0.002773 0.000864 0.000147 0.004909 0.002209 46 C 4 S -0.000963 0.000642 0.000564 -0.001178 0.002918 47 C 4 S 0.004194 -0.000560 -0.025055 -0.022558 -0.016538 48 C 4 S 0.009261 -0.018324 -0.024502 -0.020564 -0.075790 49 C 4 X 0.136300 -0.002609 0.045909 0.007839 -0.176373 50 C 4 Y -0.051030 -0.077400 0.127627 -0.099963 -0.137319 51 C 4 Z -0.067332 0.040672 0.036330 -0.004250 0.006267 52 C 4 X 0.117290 0.012191 0.020870 0.020153 -0.105347 53 C 4 Y -0.062804 -0.033073 0.094024 -0.065742 -0.068808 54 C 4 Z -0.069670 0.026078 0.028742 0.012913 -0.006150 55 C 4 XX 0.006568 0.008219 -0.000296 0.007522 0.011354 56 C 4 YY -0.000807 -0.008234 -0.006579 -0.003973 -0.000026 57 C 4 ZZ -0.005760 0.000014 0.006875 -0.003549 -0.011329 58 C 4 XY -0.005552 -0.002506 -0.002169 0.000276 0.018950 59 C 4 XZ -0.015301 -0.000403 -0.000694 -0.000668 0.006885 60 C 4 YZ 0.005035 0.007930 -0.011485 0.000161 0.008591 61 S 5 S 0.000159 -0.000699 -0.001570 0.000160 -0.001732 62 S 5 S 0.001341 -0.003891 -0.008548 0.001179 -0.009653 63 S 5 S 0.001947 0.024768 0.066656 0.003485 0.068731 64 S 5 S -0.009187 0.075055 0.183436 -0.005136 0.187812 65 S 5 X 0.000295 -0.001564 -0.003922 0.000091 -0.003233 66 S 5 Y -0.003827 -0.002080 -0.002529 -0.000818 -0.000680 67 S 5 Z 0.000043 0.000181 0.000194 -0.000915 0.000749 68 S 5 X -0.016666 0.066196 0.224566 -0.004410 0.197652 69 S 5 Y 0.207918 0.125794 0.152357 0.041846 0.070260 70 S 5 Z -0.005281 -0.004480 0.005762 0.069586 -0.042076 71 S 5 X -0.006547 0.051576 0.169629 0.003135 0.154880 72 S 5 Y 0.123764 0.080441 0.094063 0.025819 0.051807 73 S 5 Z -0.013335 -0.008772 0.005485 0.062537 -0.033480 74 S 5 XX 0.008318 0.004103 -0.013242 0.005835 0.001794 75 S 5 YY -0.007905 -0.013498 -0.009701 -0.005887 -0.021817 76 S 5 ZZ -0.000413 0.009394 0.022943 0.000051 0.020023 77 S 5 XY -0.044740 -0.021461 -0.023027 -0.010134 -0.009244 78 S 5 XZ -0.004497 -0.002218 0.003052 -0.005086 0.005824 79 S 5 YZ 0.006304 0.002614 0.000494 0.001040 -0.002900 80 S 5 XX 0.001653 0.000738 -0.001605 0.000873 0.000492 81 S 5 YY -0.001629 -0.002510 -0.002529 -0.000950 -0.004179 82 S 5 ZZ -0.000024 0.001773 0.004134 0.000078 0.003687 83 S 5 XY -0.008349 -0.004019 -0.004185 -0.001959 -0.001753 84 S 5 XZ -0.000843 -0.000405 0.000465 -0.000846 0.000926 85 S 5 YZ 0.001054 0.000426 0.000035 0.000269 -0.000566 86 H 6 S -0.063840 -0.032231 -0.151566 0.004003 0.013696 87 H 6 S -0.033241 -0.014984 -0.051793 -0.004441 0.001116 88 H 6 X -0.003019 0.000177 -0.003875 0.000019 0.000944 89 H 6 Y -0.001329 -0.001776 -0.004588 -0.000020 -0.000979 90 H 6 Z -0.000280 -0.000150 -0.000124 0.001621 0.000286 91 C 7 S -0.002432 0.000157 -0.001481 -0.000412 0.001497 92 C 7 S 0.006139 0.033989 -0.020913 -0.000066 0.001180 93 C 7 S -0.025658 0.065474 0.078538 -0.041396 -0.066592 94 C 7 X -0.069552 0.047358 0.073026 -0.005542 0.001766 95 C 7 Y 0.074614 -0.071015 0.006556 -0.020841 -0.102803 96 C 7 Z 0.000744 -0.055468 0.009538 0.177518 -0.024285 97 C 7 X -0.063525 0.065695 0.044231 -0.004319 0.003355 98 C 7 Y 0.076117 -0.092381 -0.036349 0.009469 -0.043856 99 C 7 Z -0.002309 -0.040604 0.011353 0.130325 -0.017610 100 C 7 XX -0.006767 0.009147 -0.004217 -0.005901 0.014228 101 C 7 YY 0.008265 -0.008394 0.003043 -0.002006 -0.014847 102 C 7 ZZ -0.001498 -0.000754 0.001174 0.007907 0.000619 103 C 7 XY 0.010513 0.009722 -0.011279 0.000718 -0.005916 104 C 7 XZ 0.006378 -0.002662 -0.004677 -0.015252 -0.000285 105 C 7 YZ -0.000893 -0.000619 -0.000308 0.006048 -0.001084 106 C 8 S -0.000485 -0.001484 0.001342 -0.000610 0.000879 107 C 8 S 0.010268 -0.008260 0.006079 0.000032 -0.021127 108 C 8 S 0.020913 0.024757 -0.032582 0.002896 -0.030599 109 C 8 X 0.005958 -0.248966 0.093919 -0.027937 0.101373 110 C 8 Y 0.062574 0.025277 -0.081585 -0.029477 0.042788 111 C 8 Z 0.007008 -0.035958 -0.003207 0.062176 0.002155 112 C 8 X -0.018720 -0.156637 0.062790 -0.032338 0.078354 113 C 8 Y 0.033202 0.001436 -0.035369 -0.013474 0.040309 114 C 8 Z 0.003988 -0.027251 0.000473 0.045628 0.003701 115 C 8 XX -0.001637 0.031115 -0.009126 0.004365 -0.015595 116 C 8 YY 0.002950 -0.026149 0.005938 -0.002795 0.013177 117 C 8 ZZ -0.001313 -0.004967 0.003187 -0.001570 0.002418 118 C 8 XY 0.011431 -0.007790 -0.005854 -0.002535 0.003975 119 C 8 XZ 0.001262 0.003517 -0.001425 -0.010340 0.001569 120 C 8 YZ 0.001062 0.000283 -0.000477 -0.004610 0.001834 121 C 9 S -0.000962 0.001091 0.001770 0.000098 -0.000111 122 C 9 S -0.027026 -0.041230 0.024779 0.014671 0.007857 123 C 9 S 0.025738 -0.076692 -0.025599 0.050136 -0.001178 124 C 9 X 0.137056 -0.093608 -0.093207 -0.014050 0.013555 125 C 9 Y 0.045190 0.037203 -0.085164 -0.012096 0.184683 126 C 9 Z 0.023753 -0.061427 -0.009595 -0.166540 0.056039 127 C 9 X 0.080178 -0.010818 -0.037181 -0.015722 -0.007290 128 C 9 Y 0.060741 0.012358 -0.064827 -0.005385 0.117393 129 C 9 Z 0.050358 -0.049680 -0.031064 -0.094277 0.047318 130 C 9 XX 0.000320 0.012394 -0.007123 -0.005886 0.010854 131 C 9 YY 0.006744 -0.009264 -0.002532 -0.007081 0.002190 132 C 9 ZZ -0.007064 -0.003130 0.009655 0.012967 -0.013045 133 C 9 XY 0.004170 -0.005480 -0.010908 0.001527 0.013224 134 C 9 XZ 0.011858 -0.004396 -0.003733 -0.002206 -0.002796 135 C 9 YZ 0.001440 0.003255 -0.005593 0.010992 0.009879 136 C 10 S 0.000329 -0.002198 -0.000677 0.002052 0.000699 137 C 10 S -0.004901 0.001856 0.010030 -0.003490 -0.010145 138 C 10 S -0.067715 0.040099 0.062296 -0.050790 -0.010215 139 C 10 X 0.101793 -0.040591 -0.064462 0.073679 -0.000163 140 C 10 Y -0.091836 0.090476 -0.046736 0.005072 0.079762 141 C 10 Z -0.054649 -0.028132 0.065960 0.220055 -0.026376 142 C 10 X 0.162122 -0.067476 -0.159274 0.117584 0.048863 143 C 10 Y -0.073275 0.064655 -0.025149 -0.003646 0.056058 144 C 10 Z -0.038812 -0.011375 0.051905 0.134003 -0.022445 145 C 10 XX -0.014373 0.008950 0.003183 0.001370 0.008277 146 C 10 YY 0.010528 -0.009489 -0.001236 0.001515 -0.008041 147 C 10 ZZ 0.003844 0.000539 -0.001948 -0.002886 -0.000236 148 C 10 XY 0.008887 -0.002884 -0.011376 0.008916 0.005100 149 C 10 XZ 0.003934 -0.003947 -0.001424 0.009183 -0.002289 150 C 10 YZ 0.000638 -0.000193 -0.000591 -0.007499 -0.000654 151 C 11 S -0.003221 -0.000269 0.001399 -0.000153 -0.000566 152 C 11 S 0.016995 -0.013870 -0.013788 0.003577 -0.017607 153 C 11 S 0.021285 0.002121 -0.049508 0.009269 0.024710 154 C 11 X 0.002251 -0.011966 0.070796 -0.039903 -0.104563 155 C 11 Y 0.084900 -0.091215 0.046233 -0.011359 -0.065082 156 C 11 Z -0.044694 -0.015093 0.047385 0.204864 -0.007396 157 C 11 X -0.088415 0.000263 0.161470 -0.078283 -0.139492 158 C 11 Y 0.035167 -0.060588 0.020680 -0.013613 -0.063897 159 C 11 Z -0.028103 -0.009771 0.033910 0.139131 -0.010051 160 C 11 XX -0.010157 0.006657 -0.008742 0.000537 0.013765 161 C 11 YY 0.009469 -0.006397 0.006705 -0.000430 -0.011042 162 C 11 ZZ 0.000688 -0.000259 0.002038 -0.000107 -0.002724 163 C 11 XY 0.003246 0.001217 -0.015634 0.008313 0.013762 164 C 11 XZ -0.003100 0.001177 0.001258 0.003284 0.001451 165 C 11 YZ -0.001614 -0.002176 0.003281 0.010328 -0.001927 166 C 12 S -0.004231 0.002055 0.004637 -0.004747 -0.001894 167 C 12 S -0.014094 0.017568 -0.006224 -0.001702 0.010797 168 C 12 S 0.098763 -0.026383 -0.148952 0.107511 0.066740 169 C 12 X -0.159210 0.078253 0.090228 -0.064314 0.005610 170 C 12 Y -0.053373 0.008412 0.058772 -0.039718 -0.015612 171 C 12 Z -0.028062 0.005582 0.031826 -0.018415 -0.010901 172 C 12 X -0.000534 0.007243 -0.012332 0.007111 0.011058 173 C 12 Y -0.039311 0.013508 0.054582 -0.038124 -0.020215 174 C 12 Z -0.010329 -0.000440 0.016755 -0.014805 -0.006208 175 C 12 XX -0.010648 0.005983 0.000866 0.001299 0.004322 176 C 12 YY 0.007046 -0.004985 0.000925 0.008367 -0.004575 177 C 12 ZZ 0.003602 -0.000998 -0.001791 -0.009666 0.000252 178 C 12 XY 0.009745 -0.001045 -0.012313 0.007047 0.004744 179 C 12 XZ 0.003586 -0.004930 -0.001462 0.016151 0.000054 180 C 12 YZ 0.006436 0.000581 -0.008813 -0.002119 0.003115 181 C 13 S -0.001327 -0.000081 0.000883 0.003342 -0.000602 182 C 13 S 0.017562 -0.010674 0.007276 0.022218 -0.022074 183 C 13 S 0.063180 -0.020370 0.001304 -0.002469 -0.038833 184 C 13 X 0.018828 -0.012000 0.016778 0.014620 -0.030418 185 C 13 Y 0.122382 -0.028397 -0.151218 0.082592 0.065124 186 C 13 Z 0.030677 -0.012692 -0.008940 0.019727 -0.013144 187 C 13 X 0.020578 -0.006402 0.005118 -0.003316 -0.015919 188 C 13 Y 0.026732 -0.008426 -0.029914 0.019884 0.016281 189 C 13 Z 0.010822 -0.001267 -0.000669 0.009363 -0.005771 190 C 13 XX -0.006882 0.004405 -0.000667 -0.004120 0.005489 191 C 13 YY 0.007442 -0.004720 0.001957 0.002365 -0.006876 192 C 13 ZZ -0.000559 0.000315 -0.001290 0.001755 0.001387 193 C 13 XY 0.008694 -0.001364 -0.011243 0.005016 0.004643 194 C 13 XZ 0.003203 -0.001390 0.000193 0.002710 -0.002227 195 C 13 YZ 0.008279 -0.002154 -0.008041 0.004385 0.002390 196 C 14 S 0.004011 0.000025 -0.005088 0.001437 0.003413 197 C 14 S -0.026733 0.018030 -0.005287 0.001582 0.030268 198 C 14 S -0.149441 0.028271 0.127814 -0.042671 -0.046116 199 C 14 X 0.004325 0.034418 -0.134609 0.056676 0.136594 200 C 14 Y -0.058130 0.020300 0.044965 -0.014936 -0.001961 201 C 14 Z 0.017398 -0.002143 -0.026501 0.014437 0.014971 202 C 14 X -0.013823 0.008252 -0.014660 0.002132 0.017828 203 C 14 Y -0.055249 0.011126 0.062468 -0.020268 -0.026036 204 C 14 Z 0.006550 -0.001295 -0.006830 -0.005927 0.003200 205 C 14 XX -0.008842 0.006555 -0.002924 -0.000108 0.006140 206 C 14 YY 0.002323 -0.003440 0.005551 0.004093 -0.004247 207 C 14 ZZ 0.006520 -0.003115 -0.002627 -0.003986 -0.001893 208 C 14 XY 0.006437 -0.001031 -0.012893 0.004094 0.009253 209 C 14 XZ -0.006113 0.000193 0.006028 0.009147 -0.001936 210 C 14 YZ 0.003638 -0.002847 -0.003156 0.013406 0.001309 211 F 15 S 0.000428 -0.000129 -0.000739 0.000612 0.000401 212 F 15 S 0.002156 0.000114 -0.002251 -0.005966 0.000451 213 F 15 S -0.002330 0.002378 0.006332 -0.018168 -0.004834 214 F 15 X 0.105555 -0.036645 -0.065918 -0.026159 0.002642 215 F 15 Y 0.032992 -0.009333 -0.024111 0.046674 -0.000172 216 F 15 Z 0.012788 -0.005572 -0.016754 0.042231 0.006547 217 F 15 X 0.081984 -0.029205 -0.050755 -0.021138 0.001298 218 F 15 Y 0.028419 -0.009475 -0.021942 0.040154 0.001041 219 F 15 Z 0.013293 -0.005039 -0.017652 0.033035 0.007263 220 F 15 XX -0.000349 0.000173 0.000091 0.000234 0.000115 221 F 15 YY 0.000067 -0.000008 -0.000209 0.000372 0.000105 222 F 15 ZZ 0.000281 -0.000165 0.000117 -0.000606 -0.000220 223 F 15 XY 0.000123 -0.000080 -0.000095 0.000178 -0.000009 224 F 15 XZ -0.000056 -0.000219 -0.000032 0.001446 0.000002 225 F 15 YZ 0.000072 0.000047 -0.000198 -0.000447 0.000115 226 F 16 S -0.000169 0.000441 -0.000313 0.000449 0.000197 227 F 16 S 0.000299 0.003456 0.000510 0.003751 -0.004451 228 F 16 S 0.003199 0.001562 0.003074 0.000942 -0.010340 229 F 16 X 0.096686 -0.028483 -0.044811 0.068451 -0.026593 230 F 16 Y 0.034556 0.019662 -0.058626 0.005137 0.017024 231 F 16 Z 0.017379 0.000647 -0.013728 -0.010563 -0.000109 232 F 16 X 0.074237 -0.022181 -0.034141 0.052550 -0.020966 233 F 16 Y 0.028367 0.014083 -0.048086 0.009405 0.014877 234 F 16 Z 0.015333 0.000661 -0.014474 -0.007172 0.001628 235 F 16 XX -0.000187 0.000266 -0.000129 0.000049 0.000131 236 F 16 YY 0.000226 -0.000681 0.000326 0.000247 -0.000082 237 F 16 ZZ -0.000039 0.000416 -0.000196 -0.000296 -0.000048 238 F 16 XY 0.000210 -0.000595 -0.000380 -0.000137 0.000616 239 F 16 XZ 0.000063 0.000055 0.000135 0.000402 -0.000261 240 F 16 YZ -0.000143 0.000215 -0.000220 0.000418 0.000153 241 F 17 S -0.000625 0.000287 0.000001 0.000383 0.000333 242 F 17 S 0.001663 -0.000799 0.002471 0.004296 -0.000411 243 F 17 S 0.009848 -0.004112 0.005621 0.001532 -0.005275 244 F 17 X -0.001928 -0.023870 0.097050 -0.001309 -0.066057 245 F 17 Y 0.041889 -0.026690 -0.029788 0.042957 -0.005129 246 F 17 Z 0.008926 -0.006124 0.011391 -0.004403 -0.008797 247 F 17 X -0.001689 -0.019111 0.076277 -0.000708 -0.052581 248 F 17 Y 0.036862 -0.020950 -0.027740 0.031979 -0.002027 249 F 17 Z 0.004537 -0.003476 0.011261 -0.006566 -0.007973 250 F 17 XX -0.000481 0.000305 -0.000030 -0.000137 0.000197 251 F 17 YY 0.000226 -0.000307 -0.000010 0.000313 -0.000233 252 F 17 ZZ 0.000255 0.000002 0.000040 -0.000176 0.000035 253 F 17 XY 0.000208 0.000012 -0.000016 0.000458 0.000542 254 F 17 XZ 0.000061 -0.000102 0.000155 0.000516 0.000180 255 F 17 YZ 0.000703 -0.000415 -0.000032 0.000111 -0.000333 256 F 18 S -0.000872 0.000265 0.000584 -0.000304 0.000022 257 F 18 S 0.001382 -0.000252 0.000264 -0.006185 -0.000980 258 F 18 S 0.013746 -0.003649 -0.007038 -0.005995 -0.001830 259 F 18 X 0.013720 -0.020685 0.068059 -0.078976 -0.069234 260 F 18 Y 0.038905 -0.008020 -0.037686 -0.027582 0.003417 261 F 18 Z -0.024890 0.006883 0.021267 0.007908 -0.004806 262 F 18 X 0.011698 -0.016700 0.053879 -0.062354 -0.056179 263 F 18 Y 0.033857 -0.006735 -0.034594 -0.019804 0.005484 264 F 18 Z -0.020929 0.005585 0.018127 0.002354 -0.004765 265 F 18 XX -0.000335 0.000203 -0.000155 0.000267 0.000379 266 F 18 YY -0.000286 0.000122 0.000090 -0.000129 0.000041 267 F 18 ZZ 0.000621 -0.000325 0.000065 -0.000137 -0.000420 268 F 18 XY 0.000244 -0.000004 -0.000288 -0.000124 0.000268 269 F 18 XZ -0.000636 0.000137 0.000368 0.000783 -0.000195 270 F 18 YZ -0.000474 0.000127 0.000192 0.000649 0.000187 271 C 19 S -0.000071 -0.000335 0.000037 -0.000102 0.000619 272 C 19 S 0.012078 -0.019376 -0.003781 -0.006471 0.014062 273 C 19 S 0.019827 -0.009447 -0.005783 -0.004316 -0.004305 274 C 19 X -0.017253 0.155590 -0.050923 0.022934 -0.034926 275 C 19 Y -0.062962 0.033452 0.051784 0.029791 -0.065988 276 C 19 Z -0.007869 0.036703 0.002532 -0.052586 -0.003627 277 C 19 X -0.003471 0.087789 -0.032724 0.014161 -0.018724 278 C 19 Y -0.032672 0.007778 0.029756 0.011915 -0.028105 279 C 19 Z -0.003938 0.020768 0.001115 -0.034860 -0.000320 280 C 19 XX 0.000847 0.014873 -0.007828 0.000551 -0.002139 281 C 19 YY 0.001385 -0.013552 0.004241 0.000082 0.004476 282 C 19 ZZ -0.002231 -0.001322 0.003587 -0.000633 -0.002336 283 C 19 XY 0.003298 -0.003811 -0.001717 -0.001259 0.002137 284 C 19 XZ 0.000585 0.000136 -0.000791 0.000004 0.000375 285 C 19 YZ 0.000703 0.001076 -0.000152 -0.006825 0.001711 286 H 20 S 0.002139 0.140056 -0.064673 0.012073 -0.015309 287 H 20 S -0.002961 0.072375 -0.034072 0.006098 -0.012102 288 H 20 X -0.000833 -0.007094 0.004049 -0.000447 0.000208 289 H 20 Y -0.001760 0.001113 0.001155 0.000850 -0.001072 290 H 20 Z -0.000247 0.000539 0.000301 -0.001577 0.000062 291 H 21 S -0.023785 -0.048563 0.038955 0.050318 -0.022485 292 H 21 S -0.012997 -0.025377 0.021356 0.023247 -0.008097 293 H 21 X -0.000609 0.004144 -0.001230 0.001234 -0.001545 294 H 21 Y -0.000260 0.003974 -0.000940 -0.001596 -0.000903 295 H 21 Z -0.001832 -0.001778 0.002504 0.001478 -0.001619 296 C 22 S 0.000491 0.000176 0.000166 0.000121 0.000893 297 C 22 S 0.024004 0.007163 0.011534 0.004996 0.003227 298 C 22 S 0.012528 -0.000930 -0.001851 0.002119 -0.015747 299 C 22 X 0.005711 0.050352 0.023079 0.004242 0.033702 300 C 22 Y 0.164403 0.076207 0.086407 0.034356 0.049670 301 C 22 Z 0.012004 0.002252 -0.005940 -0.021176 0.005836 302 C 22 X 0.012177 0.032772 0.021793 0.003721 0.023234 303 C 22 Y 0.078570 0.040432 0.046112 0.016781 0.028818 304 C 22 Z 0.006600 0.002191 -0.005188 -0.012857 0.004898 305 C 22 XX -0.000301 0.001665 0.003320 0.000063 0.002814 306 C 22 YY 0.000905 -0.003856 -0.004023 -0.000473 -0.003968 307 C 22 ZZ -0.000604 0.002191 0.000704 0.000410 0.001153 308 C 22 XY -0.013283 -0.008797 -0.010248 -0.002780 -0.007334 309 C 22 XZ -0.000662 -0.000526 -0.001575 -0.001839 -0.000159 310 C 22 YZ 0.000527 -0.000004 0.000407 0.000924 -0.000157 311 H 23 S -0.112408 -0.087764 -0.078508 -0.025302 -0.060348 312 H 23 S -0.055572 -0.042988 -0.045265 -0.012405 -0.030719 313 H 23 X -0.005171 -0.002610 -0.002011 -0.001098 -0.001482 314 H 23 Y -0.002943 -0.003838 -0.003424 -0.000558 -0.002599 315 H 23 Z 0.000017 -0.000217 -0.000423 -0.000698 -0.000030 316 H 24 S 0.004099 0.026422 0.007216 -0.014193 0.021791 317 H 24 S -0.001775 0.012891 0.009518 -0.004759 0.015273 318 H 24 X -0.000038 0.000027 0.000079 0.000982 -0.000093 319 H 24 Y 0.004525 0.002637 0.003057 0.000677 0.001973 320 H 24 Z 0.000178 -0.001692 -0.000508 0.000363 -0.001340 321 H 25 S 0.000789 0.027501 0.023040 0.019980 0.015967 322 H 25 S -0.000417 0.015430 0.015384 0.006168 0.014447 323 H 25 X 0.000119 0.000032 -0.000639 -0.000790 0.000249 324 H 25 Y 0.004524 0.002558 0.003286 0.001042 0.001906 325 H 25 Z 0.000253 0.002042 0.001376 0.000791 0.001356 326 C 26 S 0.000149 0.001063 0.000152 -0.001921 -0.000284 327 C 26 S -0.012169 -0.004258 0.008030 0.035363 -0.015053 328 C 26 S 0.002967 -0.017522 -0.005497 0.055948 -0.016460 329 C 26 X -0.116568 0.045640 0.018529 -0.080105 -0.005912 330 C 26 Y 0.009436 -0.046443 0.039729 0.022380 -0.072068 331 C 26 Z -0.043617 0.030083 0.034090 0.155560 -0.068957 332 C 26 X -0.067821 0.023422 0.010121 -0.043973 -0.004278 333 C 26 Y 0.006574 -0.026461 0.017096 0.013796 -0.049926 334 C 26 Z -0.015172 0.008501 0.021096 0.081341 -0.021884 335 C 26 XX -0.001068 0.003171 -0.002687 -0.008626 0.005768 336 C 26 YY 0.005466 -0.002815 -0.001993 -0.003677 0.001141 337 C 26 ZZ -0.004398 -0.000356 0.004680 0.012303 -0.006909 338 C 26 XY 0.006850 -0.002183 -0.003818 0.004635 0.002878 339 C 26 XZ 0.007621 -0.005161 -0.003657 0.002474 0.000217 340 C 26 YZ -0.001607 0.004126 -0.003005 0.004061 0.007363 341 H 27 S 0.083571 -0.013426 -0.048890 0.019042 0.061518 342 H 27 S 0.041621 -0.007327 -0.026022 0.002555 0.030045 343 H 27 X 0.001149 0.000392 -0.001476 0.000374 0.002855 344 H 27 Y 0.004494 -0.002014 -0.000489 0.002421 0.001066 345 H 27 Z 0.001710 0.000480 -0.001392 0.004116 -0.000398 346 H 28 S 0.041031 -0.061999 0.020563 -0.024187 -0.042294 347 H 28 S 0.015418 -0.036443 0.016489 -0.021691 -0.009692 348 H 28 X -0.003056 0.000410 0.001040 -0.002261 -0.000476 349 H 28 Y -0.002524 0.004050 -0.000590 0.000999 -0.000560 350 H 28 Z 0.000322 -0.002331 0.002236 0.002591 -0.003905 351 H 29 S -0.094840 0.050288 0.000069 -0.103146 0.036766 352 H 29 S -0.039816 0.029230 0.010140 -0.051222 0.030296 353 H 29 X 0.003884 -0.001431 0.000899 0.005149 -0.002823 354 H 29 Y -0.003374 0.000054 0.001315 -0.002664 -0.000893 355 H 29 Z -0.003945 0.002635 0.001206 0.001233 -0.000118 356 C 30 S -0.000592 -0.000905 -0.000195 0.001006 -0.000208 357 C 30 S -0.005771 0.002186 -0.000539 -0.019375 -0.008540 358 C 30 S 0.015564 0.007556 -0.008658 -0.037067 -0.005608 359 C 30 X -0.151751 -0.027307 -0.023157 0.076652 0.070138 360 C 30 Y 0.014998 0.065331 -0.068799 0.058684 0.050269 361 C 30 Z 0.062507 -0.032112 -0.030546 0.011426 0.033426 362 C 30 X -0.094089 -0.015750 -0.007431 0.038398 0.053756 363 C 30 Y 0.009219 0.036730 -0.047938 0.040460 0.020975 364 C 30 Z 0.019624 -0.018935 -0.017802 0.008808 0.007601 365 C 30 XX 0.002615 0.003420 -0.004228 0.005681 0.004008 366 C 30 YY 0.000738 -0.003303 -0.000152 -0.000083 0.000890 367 C 30 ZZ -0.003353 -0.000117 0.004380 -0.005599 -0.004898 368 C 30 XY -0.010953 -0.001152 -0.003292 0.004632 0.007716 369 C 30 XZ -0.008168 -0.000835 -0.002141 0.001490 0.007146 370 C 30 YZ 0.000328 0.006660 -0.005510 0.003807 0.006484 371 H 31 S 0.003392 -0.073559 0.044006 -0.054055 -0.033206 372 H 31 S 0.004884 -0.032371 0.026700 -0.024065 -0.015595 373 H 31 X -0.004399 -0.000333 -0.001089 0.002648 0.002143 374 H 31 Y 0.001107 -0.002892 0.001030 -0.002676 0.000447 375 H 31 Z 0.001807 0.002632 -0.003347 0.002969 0.002609 376 H 32 S 0.143113 0.044591 -0.018596 -0.025193 -0.033254 377 H 32 S 0.065522 0.014418 -0.004803 -0.007911 -0.008436 378 H 32 X 0.006110 0.002013 -0.002585 -0.001480 0.000581 379 H 32 Y -0.005872 0.000070 -0.000896 0.003738 0.002575 380 H 32 Z -0.003424 -0.002024 0.000197 0.000780 0.002175 381 H 33 S -0.099274 0.011443 -0.063634 0.085499 0.094596 382 H 33 S -0.041689 0.008441 -0.027241 0.044667 0.052164 383 H 33 X 0.002334 -0.001358 0.003206 -0.003215 -0.003489 384 H 33 Y 0.004983 0.001280 0.000883 -0.002101 -0.002284 385 H 33 Z 0.004210 -0.001265 0.001058 -0.001857 -0.002034 386 H 34 S -0.023790 -0.006834 0.037275 -0.040861 -0.014383 387 H 34 S -0.013101 -0.006815 0.020040 -0.015461 -0.004689 388 H 34 X -0.000787 0.004513 -0.000949 -0.000196 -0.001523 389 H 34 Y -0.000569 0.001567 -0.000264 0.002443 -0.001535 390 H 34 Z 0.001717 0.001560 -0.002681 0.001110 0.001021 391 F 35 S 0.000304 -0.000122 -0.000017 -0.000037 -0.000141 392 F 35 S -0.000690 0.000657 -0.000372 -0.001526 0.001589 393 F 35 S -0.003506 0.001742 0.000096 -0.002092 0.003535 394 F 35 X -0.024312 0.016789 -0.013413 -0.018667 0.030630 395 F 35 Y -0.077139 0.020226 0.087694 -0.048348 -0.036385 396 F 35 Z -0.010202 0.004330 0.005246 -0.016806 0.002121 397 F 35 X -0.018588 0.012032 -0.009999 -0.012781 0.023084 398 F 35 Y -0.060631 0.015975 0.070304 -0.038813 -0.030040 399 F 35 Z -0.010438 0.004368 0.003316 -0.013298 0.003683 400 F 35 XX -0.000389 0.000225 -0.000026 -0.000279 0.000275 401 F 35 YY 0.000258 -0.000159 -0.000004 0.000194 -0.000189 402 F 35 ZZ 0.000131 -0.000067 0.000030 0.000085 -0.000086 403 F 35 XY 0.000086 0.000026 -0.000315 0.000170 0.000220 404 F 35 XZ 0.000258 -0.000115 -0.000037 0.000045 -0.000171 405 F 35 YZ 0.000054 -0.000038 0.000031 0.000002 -0.000048 406 F 36 S 0.000577 -0.000246 -0.000002 -0.000375 -0.000342 407 F 36 S -0.000647 -0.000121 0.000793 0.002528 0.000052 408 F 36 S -0.008686 0.003267 0.001690 0.009445 0.004445 409 F 36 X -0.014670 0.000320 0.000777 0.030904 0.007443 410 F 36 Y -0.069510 0.016173 0.079881 -0.039356 -0.034277 411 F 36 Z -0.022927 0.008723 0.005315 -0.005015 0.010544 412 F 36 X -0.011758 0.000238 -0.000416 0.024177 0.006823 413 F 36 Y -0.055694 0.012667 0.064860 -0.032247 -0.028133 414 F 36 Z -0.020137 0.007434 0.004856 -0.002136 0.009004 415 F 36 XX 0.000268 -0.000017 -0.000064 -0.000408 -0.000105 416 F 36 YY 0.000162 -0.000131 0.000079 0.000066 -0.000205 417 F 36 ZZ -0.000429 0.000148 -0.000014 0.000343 0.000310 418 F 36 XY 0.000120 0.000016 -0.000153 -0.000064 0.000071 419 F 36 XZ -0.000074 -0.000118 0.000183 0.000654 -0.000200 420 F 36 YZ 0.000328 -0.000099 -0.000466 0.000329 0.000196 421 C 37 S 0.002277 0.000450 0.000640 -0.000403 -0.000803 422 C 37 S 0.010218 -0.028587 -0.015516 -0.007794 0.041795 423 C 37 S -0.017261 -0.040053 -0.019039 -0.000759 0.064754 424 C 37 X -0.078714 0.133266 0.037561 0.025391 -0.132318 425 C 37 Y -0.087629 -0.062982 0.139750 0.021859 -0.065265 426 C 37 Z -0.016292 -0.036179 0.028566 0.022330 -0.012834 427 C 37 X -0.015309 0.089039 -0.002929 0.018914 -0.083497 428 C 37 Y -0.015383 -0.009471 0.065555 0.017069 -0.050535 429 C 37 Z -0.007984 -0.015956 0.011736 0.024847 -0.005646 430 C 37 XX -0.004381 0.018353 -0.004913 -0.001122 -0.000082 431 C 37 YY 0.004861 -0.017985 0.004596 -0.002603 0.001745 432 C 37 ZZ -0.000480 -0.000368 0.000317 0.003725 -0.001663 433 C 37 XY 0.006342 -0.015496 -0.004094 -0.004537 0.013429 434 C 37 XZ 0.001886 -0.000047 -0.001545 0.000692 0.002343 435 C 37 YZ 0.001981 -0.004641 -0.000438 0.007216 0.000537 436 S 38 S 0.000901 0.000751 -0.000747 0.000181 -0.001233 437 S 38 S 0.005133 0.003352 -0.004093 0.001173 -0.006518 438 S 38 S -0.031319 -0.056116 0.032752 -0.001076 0.047125 439 S 38 S -0.100889 -0.113266 0.093241 -0.018426 0.138606 440 S 38 X 0.000849 -0.003838 0.000536 0.000188 0.001312 441 S 38 Y 0.001772 -0.000394 -0.000479 0.000098 -0.002092 442 S 38 Z 0.000061 0.000393 0.000041 -0.001685 0.000092 443 S 38 X 0.002706 0.300236 -0.102353 0.023160 -0.149962 444 S 38 Y -0.088888 -0.014807 0.020551 0.003758 0.173687 445 S 38 Z -0.006050 -0.053523 0.002594 0.219702 -0.026956 446 S 38 X -0.010801 0.191100 -0.057690 0.001693 -0.108977 447 S 38 Y -0.058186 -0.040184 0.020518 0.001897 0.132469 448 S 38 Z -0.004730 -0.044770 0.000823 0.178995 -0.020191 449 S 38 XX -0.006169 0.046846 -0.016870 0.004005 -0.010871 450 S 38 YY 0.012615 -0.027900 0.008021 -0.003488 -0.008303 451 S 38 ZZ -0.006447 -0.018946 0.008849 -0.000517 0.019174 452 S 38 XY 0.007163 -0.013074 -0.003662 -0.003367 0.005235 453 S 38 XZ 0.000880 -0.001177 -0.001645 0.008218 -0.002068 454 S 38 YZ 0.001532 0.005091 -0.001200 -0.022376 0.002270 455 S 38 XX -0.000979 0.008773 -0.003280 0.000951 -0.001948 456 S 38 YY 0.002417 -0.005589 0.001651 -0.000821 -0.001603 457 S 38 ZZ -0.001438 -0.003184 0.001629 -0.000130 0.003551 458 S 38 XY 0.001207 -0.002171 -0.000516 -0.000511 0.000214 459 S 38 XZ 0.000158 -0.000058 -0.000259 0.000962 -0.000349 460 S 38 YZ 0.000252 0.000751 -0.000200 -0.003333 0.000359 461 H 39 S -0.050760 0.136332 -0.004449 0.015174 -0.082644 462 H 39 S -0.033232 0.071651 0.007592 0.005988 -0.031635 463 H 39 X 0.001874 -0.005308 0.000910 -0.000860 0.003622 464 H 39 Y -0.004043 0.000210 0.002101 0.000872 -0.003551 465 H 39 Z -0.000468 -0.000950 0.000719 0.000663 -0.000461 96 97 98 99 100 -0.4465 -0.4345 -0.3994 -0.3592 -0.3760 A A A A A 1 C 1 S -0.000481 0.000291 0.000149 0.000031 -0.000372 2 C 1 S -0.013975 -0.006369 -0.004631 0.001135 0.004378 3 C 1 S -0.017397 -0.012444 -0.018433 0.001616 0.011656 4 C 1 X -0.031826 -0.014657 0.005902 0.000322 0.019366 5 C 1 Y 0.029088 -0.009629 -0.002617 0.002559 -0.003468 6 C 1 Z -0.008805 0.008832 0.132366 -0.003149 0.254389 7 C 1 X -0.008875 -0.006375 0.007462 0.001837 0.016245 8 C 1 Y 0.029958 -0.008232 0.001146 0.000798 -0.003348 9 C 1 Z -0.005903 0.010274 0.095034 -0.010766 0.167776 10 C 1 XX 0.010458 0.003234 0.004861 -0.000643 -0.004004 11 C 1 YY -0.012316 -0.003637 -0.004604 0.000554 0.000303 12 C 1 ZZ 0.001857 0.000403 -0.000257 0.000089 0.003702 13 C 1 XY 0.004752 0.000499 0.003051 0.000243 0.002115 14 C 1 XZ -0.001443 0.002634 0.009784 -0.001453 -0.025029 15 C 1 YZ -0.003647 0.001379 0.023048 0.000431 0.006956 16 C 2 S -0.001044 0.000266 -0.000603 0.000018 -0.000861 17 C 2 S 0.030303 0.002168 0.005009 -0.002853 0.003550 18 C 2 S 0.043805 0.009229 0.036227 -0.004642 0.017886 19 C 2 X 0.035565 0.010919 0.006763 0.001563 0.017059 20 C 2 Y 0.033896 -0.011903 -0.002628 -0.007461 -0.014796 21 C 2 Z 0.001910 -0.034665 0.014518 0.028161 0.372644 22 C 2 X 0.015691 0.002799 0.007846 0.002288 0.016056 23 C 2 Y 0.005418 -0.005198 0.006205 -0.004553 -0.003846 24 C 2 Z 0.002479 -0.015282 -0.011342 0.009258 0.255417 25 C 2 XX -0.001318 -0.000456 -0.000202 0.000239 0.003506 26 C 2 YY 0.000362 0.000996 0.001997 -0.000630 -0.002961 27 C 2 ZZ 0.000956 -0.000540 -0.001795 0.000391 -0.000545 28 C 2 XY 0.003062 0.000862 0.002549 0.000371 -0.002233 29 C 2 XZ -0.000745 0.001858 0.009046 -0.001593 0.014292 30 C 2 YZ 0.001248 -0.006586 -0.003056 0.006147 0.012877 31 C 3 S -0.001145 0.000063 0.000512 0.000654 0.000120 32 C 3 S 0.007771 0.007707 0.012995 0.006133 -0.002024 33 C 3 S 0.082157 0.016691 0.039654 -0.006595 -0.013609 34 C 3 X 0.093816 0.028214 0.042742 -0.001168 -0.031144 35 C 3 Y -0.001394 0.026575 0.021053 0.005245 -0.017030 36 C 3 Z 0.022718 -0.112917 -0.055674 0.104466 0.223061 37 C 3 X 0.083040 0.022719 -0.005230 -0.013118 -0.031418 38 C 3 Y 0.019191 0.029652 0.047919 -0.006146 -0.009293 39 C 3 Z 0.009115 -0.077967 -0.041757 0.069271 0.166833 40 C 3 XX -0.012151 -0.001175 0.000237 0.002348 -0.000693 41 C 3 YY 0.012266 -0.000940 0.002455 -0.001592 0.003268 42 C 3 ZZ -0.000116 0.002115 -0.002691 -0.000756 -0.002575 43 C 3 XY 0.005630 0.002047 0.002830 -0.001093 -0.002331 44 C 3 XZ 0.001066 0.015230 0.001477 -0.006556 0.003190 45 C 3 YZ 0.001937 -0.003163 -0.004991 0.002346 -0.021892 46 C 4 S 0.005797 0.003661 0.000160 0.000882 -0.000211 47 C 4 S 0.016698 0.004459 -0.005281 -0.016515 0.000229 48 C 4 S -0.077939 -0.049306 -0.026763 -0.039556 -0.009977 49 C 4 X -0.185302 -0.036351 -0.030373 -0.001481 0.001264 50 C 4 Y 0.164720 -0.028848 0.009181 -0.031026 0.031203 51 C 4 Z 0.033518 0.090258 -0.106515 -0.010324 -0.046585 52 C 4 X -0.138459 -0.019935 -0.016128 -0.012610 0.012277 53 C 4 Y 0.150271 -0.033161 -0.016922 -0.042797 -0.001986 54 C 4 Z 0.050544 0.079840 -0.038432 -0.002661 -0.015619 55 C 4 XX -0.012514 -0.001634 0.006609 0.002553 0.000999 56 C 4 YY -0.001760 -0.007151 0.009809 0.000406 0.005342 57 C 4 ZZ 0.014274 0.008785 -0.016418 -0.002959 -0.006341 58 C 4 XY 0.026000 0.002988 -0.002566 0.003259 0.002687 59 C 4 XZ 0.008840 0.006011 0.013126 -0.004029 -0.010958 60 C 4 YZ -0.012452 0.005566 -0.011162 -0.003643 -0.006469 61 S 5 S -0.001230 -0.000329 -0.000104 0.000044 0.000364 62 S 5 S -0.006508 -0.001731 -0.000569 0.000252 0.002705 63 S 5 S 0.049395 0.013906 0.004551 -0.001585 0.007385 64 S 5 S 0.154389 0.039612 0.009670 -0.005069 -0.006603 65 S 5 X -0.004349 -0.000935 -0.000615 0.000039 -0.000081 66 S 5 Y 0.002552 0.000494 0.000456 -0.000030 -0.000183 67 S 5 Z 0.001081 -0.000248 -0.003143 0.000024 -0.000365 68 S 5 X 0.275857 0.068809 0.104015 -0.011137 -0.024536 69 S 5 Y -0.121989 -0.016254 -0.056097 0.002092 0.013559 70 S 5 Z -0.089341 0.039848 0.474435 0.000103 -0.076491 71 S 5 X 0.216785 0.057290 0.105447 -0.007853 -0.026670 72 S 5 Y -0.076682 -0.012333 -0.056302 0.005448 0.016533 73 S 5 Z -0.065934 0.033160 0.479591 0.003498 -0.114987 74 S 5 XX -0.022162 -0.002965 -0.002330 0.000989 -0.003157 75 S 5 YY 0.002913 -0.003537 0.001426 0.000464 0.005151 76 S 5 ZZ 0.019249 0.006502 0.000905 -0.001453 -0.001994 77 S 5 XY 0.029979 0.003546 0.000019 0.000157 -0.000658 78 S 5 XZ 0.016972 -0.002188 -0.014573 0.000324 -0.010545 79 S 5 YZ -0.008384 -0.001369 -0.018453 0.000677 -0.018260 80 S 5 XX -0.003567 -0.000386 -0.000001 0.000161 -0.000562 81 S 5 YY 0.000216 -0.000789 0.000139 0.000053 0.000850 82 S 5 ZZ 0.003351 0.001175 -0.000139 -0.000214 -0.000288 83 S 5 XY 0.005717 0.000669 -0.000085 0.000049 -0.000092 84 S 5 XZ 0.002890 -0.000313 -0.001393 0.000037 -0.002014 85 S 5 YZ -0.001631 -0.000230 -0.002880 -0.000001 -0.002994 86 H 6 S -0.025265 0.003324 0.003409 0.002880 -0.006883 87 H 6 S -0.017752 0.000043 0.003404 0.002938 0.000298 88 H 6 X -0.001145 0.000338 -0.000287 0.000170 0.000388 89 H 6 Y -0.001003 -0.000191 -0.000507 -0.000076 -0.000844 90 H 6 Z 0.000001 -0.001549 0.000244 0.001028 0.013191 91 C 7 S 0.002142 -0.000029 0.000275 -0.002577 0.000444 92 C 7 S -0.017726 -0.014063 -0.005677 -0.013904 0.001179 93 C 7 S -0.081729 -0.010301 -0.035801 0.017660 0.007511 94 C 7 X -0.159999 -0.014962 -0.017798 -0.059899 -0.012298 95 C 7 Y 0.142722 0.011917 0.023053 0.006707 0.005868 96 C 7 Z 0.028570 -0.039730 0.022176 -0.127309 -0.093815 97 C 7 X -0.101249 0.001699 -0.009627 -0.021881 0.005439 98 C 7 Y 0.148610 0.014653 0.033243 0.004113 0.005590 99 C 7 Z 0.005483 -0.015072 0.017300 -0.111420 -0.071700 100 C 7 XX -0.013479 0.002378 -0.002781 0.000023 0.001975 101 C 7 YY 0.015582 -0.001722 0.003741 -0.000015 0.001828 102 C 7 ZZ -0.002104 -0.000656 -0.000960 -0.000008 -0.003803 103 C 7 XY 0.011374 0.002290 -0.000616 0.002388 -0.000377 104 C 7 XZ 0.004352 0.009862 0.001907 0.001781 0.011257 105 C 7 YZ -0.002695 0.023323 -0.004927 -0.013252 0.010556 106 C 8 S -0.001713 0.000154 -0.000349 -0.000149 0.000055 107 C 8 S 0.026444 0.000692 0.003655 0.006457 0.004434 108 C 8 S 0.062123 -0.000490 0.009834 0.015731 0.000966 109 C 8 X -0.081918 -0.016216 -0.004741 -0.024790 -0.001971 110 C 8 Y 0.007376 -0.024949 0.001920 -0.033676 -0.001975 111 C 8 Z -0.026850 0.189471 -0.024635 0.283830 -0.034000 112 C 8 X -0.059733 -0.006616 -0.001253 -0.022649 -0.000875 113 C 8 Y -0.010607 -0.012062 -0.001278 -0.025576 0.001160 114 C 8 Z -0.025502 0.148488 -0.021389 0.227340 -0.028752 115 C 8 XX 0.008593 0.001746 0.000105 -0.000347 0.000734 116 C 8 YY -0.006649 0.002388 -0.000367 0.006246 -0.001263 117 C 8 ZZ -0.001945 -0.004135 0.000262 -0.005899 0.000529 118 C 8 XY 0.005497 0.000459 0.001075 0.000404 0.000086 119 C 8 XZ 0.002529 -0.014916 0.003976 0.014395 -0.005584 120 C 8 YZ 0.002083 -0.013606 0.000458 -0.030939 0.004762 121 C 9 S -0.001683 -0.000780 -0.001428 0.000696 -0.000837 122 C 9 S -0.003301 -0.000858 0.013679 0.006121 0.007475 123 C 9 S 0.032673 0.017733 0.055921 0.008526 0.016506 124 C 9 X 0.143487 -0.005009 0.025677 0.020482 0.002108 125 C 9 Y -0.144143 0.023322 -0.059828 -0.023812 -0.029113 126 C 9 Z -0.022844 -0.090117 0.043769 -0.036250 0.044149 127 C 9 X 0.074518 -0.010596 -0.001343 0.048394 0.006404 128 C 9 Y -0.106653 -0.032684 -0.057768 -0.028253 -0.052976 129 C 9 Z -0.026685 -0.054609 0.036861 -0.018762 0.039940 130 C 9 XX -0.014482 -0.001940 -0.002982 -0.002008 0.001673 131 C 9 YY 0.004340 -0.008375 0.006132 -0.007032 0.004985 132 C 9 ZZ 0.010142 0.010315 -0.003150 0.009041 -0.006658 133 C 9 XY 0.013561 0.000142 0.002327 -0.002774 -0.001175 134 C 9 XZ 0.005424 0.003654 -0.001776 0.016581 0.001618 135 C 9 YZ -0.012017 0.004270 -0.001608 0.011175 -0.006230 136 C 10 S 0.001327 -0.000412 -0.000276 0.000058 -0.001339 137 C 10 S 0.003929 -0.004724 -0.004319 0.009317 -0.004351 138 C 10 S 0.000162 0.020142 0.005349 0.009089 0.026214 139 C 10 X 0.067167 -0.034827 -0.000595 0.017796 -0.025412 140 C 10 Y -0.022806 -0.000295 0.006240 0.006669 -0.010653 141 C 10 Z -0.017092 -0.184744 0.007149 -0.009064 -0.170961 142 C 10 X 0.119241 -0.038481 0.032457 0.005869 -0.038761 143 C 10 Y -0.037179 0.001044 0.001150 0.009355 -0.000070 144 C 10 Z -0.015652 -0.140878 0.006642 0.009371 -0.141104 145 C 10 XX -0.015452 -0.000845 -0.001257 -0.005014 -0.001404 146 C 10 YY 0.014337 -0.000490 0.001796 0.002517 -0.000255 147 C 10 ZZ 0.001114 0.001335 -0.000539 0.002497 0.001659 148 C 10 XY 0.010687 -0.002306 0.001446 0.000938 -0.001632 149 C 10 XZ 0.003152 -0.001192 0.001249 -0.006520 -0.003770 150 C 10 YZ -0.001547 0.012757 0.002813 -0.013021 -0.002449 151 C 11 S -0.000063 -0.000496 0.000475 0.000379 -0.000171 152 C 11 S -0.001372 0.002203 -0.003601 0.001474 0.005186 153 C 11 S 0.023419 0.013985 -0.037624 -0.008458 0.000629 154 C 11 X -0.070267 0.002490 -0.016870 0.000114 0.009310 155 C 11 Y 0.059784 0.005728 0.002623 0.002486 0.003909 156 C 11 Z 0.000009 -0.215353 -0.041711 0.114479 0.012302 157 C 11 X -0.106518 -0.010447 -0.051108 0.008123 0.014037 158 C 11 Y -0.002844 -0.005119 0.002021 0.011770 0.004864 159 C 11 Z -0.005132 -0.147756 -0.030652 0.088317 -0.011307 160 C 11 XX 0.000405 0.002336 0.002638 -0.000974 -0.003591 161 C 11 YY 0.000477 -0.001738 -0.002438 0.000220 0.002324 162 C 11 ZZ -0.000882 -0.000598 -0.000201 0.000754 0.001268 163 C 11 XY 0.009192 -0.000406 0.003318 0.000827 -0.003213 164 C 11 XZ 0.000346 -0.003784 -0.002982 0.005261 0.014449 165 C 11 YZ -0.001417 -0.008838 0.002408 -0.002411 -0.018530 166 C 12 S -0.002733 0.002245 -0.000436 -0.000806 0.002015 167 C 12 S -0.021621 0.003129 -0.000057 -0.007731 -0.000561 168 C 12 S 0.045420 -0.038591 0.021800 -0.002259 -0.044712 169 C 12 X -0.099608 0.012418 -0.003047 -0.015545 0.001990 170 C 12 Y -0.017405 0.007595 -0.001706 0.002560 0.006280 171 C 12 Z -0.007574 -0.002528 -0.000172 0.004554 -0.011667 172 C 12 X -0.010155 0.001560 0.004077 -0.014404 -0.005855 173 C 12 Y -0.026810 0.014221 -0.005907 -0.007068 0.016283 174 C 12 Z -0.004984 0.012626 -0.002916 -0.009468 0.003258 175 C 12 XX -0.004301 -0.001886 0.000759 -0.000660 -0.003461 176 C 12 YY 0.002613 -0.006721 -0.000488 0.001578 -0.003781 177 C 12 ZZ 0.001688 0.008607 -0.000271 -0.000917 0.007242 178 C 12 XY 0.005399 0.000185 0.000498 -0.000251 -0.000577 179 C 12 XZ 0.002473 -0.011392 0.000628 0.000283 -0.011596 180 C 12 YZ 0.002531 0.004778 0.000328 -0.000500 0.004326 181 C 13 S -0.000592 -0.003553 0.000167 0.002049 -0.002955 182 C 13 S 0.000579 -0.021199 -0.002993 0.008659 -0.009599 183 C 13 S 0.011828 0.011227 -0.009810 -0.013246 0.024736 184 C 13 X -0.004055 -0.015993 -0.004333 0.004579 -0.001700 185 C 13 Y 0.077932 -0.004514 0.012050 -0.004543 -0.015125 186 C 13 Z 0.008556 -0.011273 -0.001558 0.003927 -0.005863 187 C 13 X 0.004808 0.002970 -0.004151 -0.004175 0.010753 188 C 13 Y 0.019991 0.001963 0.003026 -0.008018 -0.006802 189 C 13 Z 0.001816 -0.004971 -0.000485 0.002750 -0.004638 190 C 13 XX -0.001852 0.004294 0.000816 -0.002289 0.002288 191 C 13 YY 0.001186 -0.002298 -0.000858 0.001127 -0.000131 192 C 13 ZZ 0.000666 -0.001997 0.000042 0.001163 -0.002157 193 C 13 XY 0.003002 0.000843 0.000504 -0.001381 0.000390 194 C 13 XZ 0.000280 -0.002554 -0.000355 0.000933 -0.001735 195 C 13 YZ 0.004022 -0.000381 0.000346 0.000015 -0.000170 196 C 14 S 0.003453 0.001362 0.000728 -0.000951 0.000294 197 C 14 S 0.005906 0.000620 0.005166 0.000228 -0.005010 198 C 14 S -0.081551 -0.029900 -0.014246 0.021231 -0.015101 199 C 14 X 0.058101 0.004988 0.019283 -0.005242 -0.014516 200 C 14 Y -0.015719 -0.006408 -0.000195 0.004392 -0.003323 201 C 14 Z 0.011344 -0.004375 0.001187 0.003739 -0.005667 202 C 14 X -0.000334 -0.000862 0.001548 0.004264 -0.000154 203 C 14 Y -0.031413 -0.011466 -0.005399 0.007314 -0.006263 204 C 14 Z 0.006267 0.002556 -0.000443 0.000481 0.006350 205 C 14 XX -0.003614 -0.000149 -0.000028 0.000176 0.000805 206 C 14 YY 0.002058 -0.004631 -0.000549 0.001937 -0.001405 207 C 14 ZZ 0.001556 0.004779 0.000576 -0.002112 0.000600 208 C 14 XY 0.008430 0.002065 0.001576 -0.001207 -0.000283 209 C 14 XZ -0.002392 -0.012186 -0.002392 0.006642 0.000164 210 C 14 YZ 0.003129 -0.011037 -0.001442 0.005539 -0.001765 211 F 15 S 0.000194 -0.000080 -0.000003 -0.000345 -0.000130 212 F 15 S 0.001839 0.006274 -0.000378 -0.000734 0.007950 213 F 15 S 0.000768 0.011776 -0.001066 0.003000 0.018186 214 F 15 X 0.052356 0.033910 0.000445 0.009287 0.025345 215 F 15 Y 0.008919 -0.028403 -0.000249 0.006118 -0.011906 216 F 15 Z 0.000942 -0.027639 0.001052 -0.000037 -0.021302 217 F 15 X 0.041948 0.028348 0.000285 0.008009 0.022864 218 F 15 Y 0.009630 -0.023656 0.000238 0.004853 -0.011702 219 F 15 Z 0.002382 -0.020261 0.001319 -0.000417 -0.017156 220 F 15 XX -0.000366 -0.000261 0.000031 -0.000098 -0.000295 221 F 15 YY -0.000028 -0.000173 -0.000030 -0.000026 0.000054 222 F 15 ZZ 0.000393 0.000435 -0.000001 0.000124 0.000241 223 F 15 XY 0.000086 0.000079 -0.000003 -0.000141 0.000077 224 F 15 XZ 0.000189 -0.000789 0.000032 -0.000056 -0.000348 225 F 15 YZ 0.000109 0.000418 0.000022 -0.000086 0.000063 226 F 16 S -0.000241 -0.000371 0.000054 -0.000027 -0.000189 227 F 16 S 0.001244 -0.002533 -0.000049 -0.000699 -0.003373 228 F 16 S 0.006376 0.000925 -0.000665 -0.001577 -0.004016 229 F 16 X 0.048049 -0.022672 0.000364 -0.001492 -0.012839 230 F 16 Y 0.012625 0.015634 0.001912 -0.002700 0.010780 231 F 16 Z 0.007277 0.001872 0.000515 0.007167 0.005544 232 F 16 X 0.038530 -0.018099 0.000320 0.000367 -0.010986 233 F 16 Y 0.010441 0.008218 0.001919 -0.000808 0.006169 234 F 16 Z 0.007450 0.002373 0.000660 0.005430 0.005131 235 F 16 XX -0.000166 -0.000015 0.000022 0.000019 -0.000026 236 F 16 YY 0.000123 -0.000107 -0.000033 -0.000096 0.000020 237 F 16 ZZ 0.000043 0.000122 0.000010 0.000077 0.000006 238 F 16 XY 0.000251 -0.000012 0.000059 0.000236 -0.000164 239 F 16 XZ -0.000088 -0.000089 -0.000022 -0.000277 -0.000207 240 F 16 YZ -0.000204 0.000050 -0.000040 -0.000229 0.000010 241 F 17 S -0.000160 -0.000234 -0.000032 0.000105 -0.000050 242 F 17 S 0.001756 -0.004147 -0.000978 0.002922 0.001936 243 F 17 S 0.004916 -0.003968 -0.001772 0.004005 0.005293 244 F 17 X -0.017710 -0.028364 -0.011773 0.017568 0.013860 245 F 17 Y 0.015794 -0.027170 -0.004369 0.012942 -0.001848 246 F 17 Z 0.002950 0.001408 -0.000043 -0.000771 -0.001980 247 F 17 X -0.014143 -0.023132 -0.009546 0.014302 0.010747 248 F 17 Y 0.014775 -0.018326 -0.002917 0.008972 0.000005 249 F 17 Z 0.000514 0.002919 0.000123 -0.001338 -0.000921 250 F 17 XX -0.000139 0.000094 0.000060 -0.000099 -0.000317 251 F 17 YY 0.000039 -0.000271 -0.000074 0.000138 0.000219 252 F 17 ZZ 0.000101 0.000177 0.000014 -0.000039 0.000098 253 F 17 XY 0.000445 -0.000140 0.000103 0.000021 0.000073 254 F 17 XZ 0.000227 -0.000418 -0.000021 0.000237 0.000132 255 F 17 YZ 0.000091 -0.000048 -0.000043 0.000044 0.000065 256 F 18 S -0.000182 -0.000113 -0.000058 0.000076 0.000036 257 F 18 S 0.000379 0.006864 0.001104 -0.004294 0.000426 258 F 18 S 0.003582 0.013692 0.002864 -0.009449 0.000292 259 F 18 X -0.023134 0.044061 0.001336 -0.020678 -0.002673 260 F 18 Y 0.006793 0.037034 0.004616 -0.016426 0.007450 261 F 18 Z -0.009559 -0.018768 -0.003884 0.009927 -0.002926 262 F 18 X -0.018656 0.035304 0.000787 -0.017199 -0.000948 263 F 18 Y 0.007856 0.030435 0.004293 -0.014161 0.005954 264 F 18 Z -0.008828 -0.012475 -0.003014 0.007098 -0.002286 265 F 18 XX 0.000063 -0.000241 -0.000020 0.000147 0.000069 266 F 18 YY -0.000056 0.000042 0.000024 -0.000029 -0.000131 267 F 18 ZZ -0.000006 0.000198 -0.000004 -0.000118 0.000062 268 F 18 XY 0.000197 0.000200 0.000107 -0.000062 -0.000250 269 F 18 XZ -0.000302 -0.000880 -0.000248 0.000423 0.000265 270 F 18 YZ 0.000043 -0.000582 -0.000054 0.000201 -0.000075 271 C 19 S -0.000927 0.000073 -0.000116 -0.000041 -0.000096 272 C 19 S -0.001348 -0.002141 0.000505 0.000356 -0.001642 273 C 19 S 0.016883 -0.007872 0.002485 0.002341 -0.001284 274 C 19 X 0.018926 0.010841 -0.001183 0.004724 0.002552 275 C 19 Y 0.006877 0.014834 -0.000411 0.008129 0.003190 276 C 19 Z 0.014825 -0.096487 0.012489 -0.064002 0.000403 277 C 19 X 0.015326 0.007640 -0.000166 0.004023 0.001673 278 C 19 Y -0.000725 0.011128 -0.001131 0.004183 0.002242 279 C 19 Z 0.011786 -0.070006 0.011934 -0.033855 -0.005032 280 C 19 XX 0.003086 0.000670 0.000034 0.000565 0.000041 281 C 19 YY -0.003661 0.002491 -0.000587 0.003351 -0.000513 282 C 19 ZZ 0.000574 -0.003160 0.000552 -0.003916 0.000472 283 C 19 XY 0.000231 0.000543 -0.000102 0.001283 -0.000257 284 C 19 XZ 0.000195 -0.001242 0.000222 -0.003051 0.000343 285 C 19 YZ 0.001460 -0.015292 0.001977 -0.019279 0.002086 286 H 20 S 0.017858 0.004943 -0.000921 0.001885 0.000981 287 H 20 S 0.008745 0.003632 -0.000650 0.000502 0.000775 288 H 20 X -0.000839 -0.000079 0.000024 -0.000061 0.000013 289 H 20 Y -0.000182 0.000453 -0.000063 0.000134 0.000108 290 H 20 Z 0.000206 -0.002582 0.000292 -0.001436 -0.000039 291 H 21 S -0.013340 0.085765 -0.009793 0.078387 -0.004782 292 H 21 S -0.010138 0.040884 -0.003239 0.069028 -0.012143 293 H 21 X 0.000726 0.001176 -0.000172 -0.000221 0.000363 294 H 21 Y 0.001044 -0.003511 0.000288 -0.003561 0.000451 295 H 21 Z -0.000245 0.001628 -0.000107 0.000952 0.000020 296 C 22 S 0.000259 0.000156 -0.000193 -0.000014 -0.000006 297 C 22 S -0.014644 -0.002170 -0.004463 -0.000080 -0.000352 298 C 22 S -0.016930 -0.006018 -0.002864 -0.000946 -0.000991 299 C 22 X -0.004368 0.003188 -0.006084 0.001019 -0.000299 300 C 22 Y -0.058648 -0.003270 -0.006848 -0.000543 -0.001328 301 C 22 Z 0.008430 -0.004206 -0.080669 -0.001295 -0.020958 302 C 22 X -0.008048 0.002637 -0.004576 0.000976 -0.002054 303 C 22 Y -0.024465 -0.000233 0.001543 -0.000974 -0.003489 304 C 22 Z 0.006409 -0.002768 -0.067840 -0.000698 -0.019513 305 C 22 XX 0.002026 0.000576 -0.000253 0.000034 -0.001087 306 C 22 YY -0.001008 -0.000660 -0.000461 -0.000123 -0.000725 307 C 22 ZZ -0.001018 0.000084 0.000714 0.000088 0.001813 308 C 22 XY 0.002860 -0.000318 0.001625 0.000041 0.001548 309 C 22 XZ 0.001066 -0.000702 -0.008814 0.000331 -0.009872 310 C 22 YZ -0.000752 0.000524 0.006774 -0.000267 0.010917 311 H 23 S 0.038604 -0.000861 0.010086 -0.000404 0.001511 312 H 23 S 0.021164 0.000468 0.008602 -0.000365 -0.000417 313 H 23 X 0.002326 0.000181 0.000345 -0.000028 -0.000059 314 H 23 Y 0.000501 -0.000201 0.000447 0.000006 -0.000008 315 H 23 Z 0.000334 -0.000196 -0.002218 -0.000031 -0.000092 316 H 24 S 0.004467 -0.002466 -0.068031 0.001009 -0.037407 317 H 24 S 0.009936 -0.000083 -0.017952 0.002252 -0.039829 318 H 24 X -0.000253 0.000169 0.002849 0.000076 0.000926 319 H 24 Y -0.001082 0.000106 -0.000334 -0.000129 -0.001526 320 H 24 Z -0.000089 -0.000055 0.001496 -0.000003 0.000056 321 H 25 S -0.013514 0.005440 0.061344 0.000201 0.037425 322 H 25 S 0.001550 0.004712 0.017256 -0.002299 0.038498 323 H 25 X 0.000673 -0.000070 -0.002326 -0.000065 -0.000904 324 H 25 Y -0.001141 -0.000060 -0.000415 0.000022 0.001327 325 H 25 Z -0.000650 0.000134 0.001282 0.000058 0.000299 326 C 26 S -0.000188 -0.001110 -0.000816 -0.001141 0.000205 327 C 26 S 0.006538 0.012957 0.006774 0.023394 -0.014193 328 C 26 S -0.003124 0.019537 0.018738 0.054480 -0.028595 329 C 26 X -0.057808 0.059103 0.044130 0.021344 -0.010354 330 C 26 Y 0.039789 0.066327 -0.021405 0.015484 -0.016318 331 C 26 Z 0.045181 0.075020 -0.028838 0.051997 -0.039754 332 C 26 X -0.039253 0.030555 0.034619 0.012508 -0.014505 333 C 26 Y 0.022698 0.046858 -0.005209 0.011422 -0.001077 334 C 26 Z 0.022687 0.037610 -0.023606 0.034325 -0.026995 335 C 26 XX -0.004885 -0.002198 0.001946 -0.000902 0.002173 336 C 26 YY 0.000909 -0.003004 -0.001495 -0.002671 -0.000116 337 C 26 ZZ 0.003976 0.005202 -0.000451 0.003573 -0.002057 338 C 26 XY 0.004405 -0.004211 0.000431 -0.005207 0.000040 339 C 26 XZ 0.007636 -0.001737 -0.000652 -0.000659 0.000304 340 C 26 YZ -0.005665 0.001585 -0.000685 0.000392 -0.000462 341 H 27 S 0.011215 -0.082854 -0.005439 -0.038181 0.013633 342 H 27 S 0.005249 -0.034965 -0.005397 -0.030662 0.007787 343 H 27 X -0.001650 -0.004746 0.000027 -0.000545 0.000179 344 H 27 Y 0.001992 -0.003477 -0.000694 -0.000405 0.001202 345 H 27 Z 0.001152 0.000500 -0.001082 0.001144 -0.001214 346 H 28 S 0.035494 0.008213 -0.006028 0.000902 -0.000369 347 H 28 S 0.015543 -0.014257 -0.000750 -0.004039 0.000456 348 H 28 X -0.001369 0.002133 0.001113 -0.000925 -0.000023 349 H 28 Y 0.000021 -0.000449 -0.000219 -0.000071 -0.000483 350 H 28 Z 0.003054 0.001807 -0.000424 0.001460 -0.001042 351 H 29 S -0.080872 0.013608 0.040850 0.012696 0.006770 352 H 29 S -0.032103 0.011501 -0.001647 -0.004591 0.015466 353 H 29 X 0.003176 0.000640 -0.003264 -0.000173 -0.000098 354 H 29 Y -0.001310 0.002246 0.002453 0.000245 -0.000603 355 H 29 Z -0.001310 0.002269 -0.000432 0.000945 -0.000754 356 C 30 S -0.000755 0.000087 0.001251 0.000669 0.001489 357 C 30 S 0.012325 0.018068 -0.035926 -0.016093 -0.012289 358 C 30 S 0.008267 0.014376 -0.074582 -0.029222 -0.029043 359 C 30 X 0.071621 -0.054979 -0.042944 -0.021269 0.005814 360 C 30 Y -0.061159 -0.006578 0.053931 -0.001699 0.037696 361 C 30 Z -0.051558 -0.075892 0.100786 0.021718 0.041795 362 C 30 X 0.058930 -0.026064 -0.020169 -0.022269 0.003146 363 C 30 Y -0.049348 0.004641 0.033254 0.002018 0.036109 364 C 30 Z -0.030317 -0.043323 0.058987 0.003332 0.032319 365 C 30 XX -0.005660 -0.003099 0.006205 0.001094 0.002204 366 C 30 YY -0.000444 -0.002118 0.001414 0.001440 0.000557 367 C 30 ZZ 0.006103 0.005217 -0.007619 -0.002534 -0.002762 368 C 30 XY 0.007219 -0.002532 -0.006185 0.000493 0.003214 369 C 30 XZ 0.008706 0.000153 -0.001789 -0.001369 0.000100 370 C 30 YZ -0.006331 0.002737 -0.001401 -0.000816 -0.000906 371 H 31 S 0.043262 -0.025451 -0.013317 0.002478 -0.011485 372 H 31 S 0.026685 -0.013924 0.006873 0.003332 0.007060 373 H 31 X 0.001595 -0.001363 -0.000240 -0.000660 -0.000590 374 H 31 Y 0.001184 -0.001879 -0.000942 -0.000352 -0.001442 375 H 31 Z -0.003917 -0.000624 0.002965 0.000913 0.001040 376 H 32 S -0.106428 0.021672 0.076166 0.010634 0.005790 377 H 32 S -0.051956 0.013361 0.045830 0.008533 -0.003280 378 H 32 X -0.003777 0.001966 0.003311 0.000250 0.001480 379 H 32 Y 0.002150 -0.001233 -0.001080 -0.000592 -0.000062 380 H 32 Z 0.002926 -0.002422 0.001429 0.000242 0.001019 381 H 33 S 0.023481 -0.049412 -0.004222 -0.007318 0.028783 382 H 33 S 0.013319 -0.022454 0.007531 0.018667 0.007617 383 H 33 X 0.000374 0.001705 -0.000705 0.000593 -0.001286 384 H 33 Y -0.002722 0.002625 0.001037 0.001643 -0.000065 385 H 33 Z -0.001849 -0.001402 0.002207 0.000063 0.001289 386 H 34 S 0.009250 -0.086375 0.011461 -0.078344 0.005525 387 H 34 S -0.001075 -0.040621 0.002839 -0.070658 0.013257 388 H 34 X 0.000915 -0.001077 0.000268 0.000285 -0.000197 389 H 34 Y 0.000114 0.003363 -0.000246 0.003375 -0.000253 390 H 34 Z -0.000108 0.002319 -0.000294 0.001744 -0.000108 391 F 35 S -0.000002 0.000169 0.000003 -0.000031 0.000030 392 F 35 S -0.000160 0.001974 0.000431 -0.001022 0.001114 393 F 35 S 0.000177 0.001198 0.000654 -0.001424 0.001649 394 F 35 X 0.000068 0.019066 0.004393 -0.007060 0.005039 395 F 35 Y -0.042710 0.002506 -0.006096 0.002344 0.006540 396 F 35 Z -0.003291 0.008037 0.000337 -0.001156 0.001898 397 F 35 X 0.000106 0.012923 0.003560 -0.004709 0.002893 398 F 35 Y -0.035031 0.001685 -0.004957 0.002083 0.005501 399 F 35 Z -0.003406 0.006944 0.000454 -0.001751 0.002206 400 F 35 XX -0.000027 0.000125 0.000032 0.000020 -0.000090 401 F 35 YY 0.000033 -0.000117 -0.000025 0.000011 0.000016 402 F 35 ZZ -0.000006 -0.000008 -0.000008 -0.000031 0.000074 403 F 35 XY 0.000282 -0.000012 0.000084 -0.000024 -0.000185 404 F 35 XZ 0.000016 -0.000030 -0.000024 -0.000009 0.000003 405 F 35 YZ -0.000041 0.000007 -0.000012 -0.000017 0.000009 406 F 36 S 0.000148 0.000276 -0.000073 -0.000203 0.000265 407 F 36 S 0.000218 -0.002729 -0.000059 0.000850 -0.002560 408 F 36 S -0.001654 -0.008904 0.001138 0.004828 -0.009688 409 F 36 X 0.000879 -0.024874 -0.000559 0.006437 -0.011707 410 F 36 Y -0.034828 -0.000270 -0.003969 0.000640 0.000999 411 F 36 Z -0.003020 -0.001589 0.000854 0.001299 -0.004299 412 F 36 X 0.000594 -0.019551 -0.000336 0.005167 -0.009725 413 F 36 Y -0.028971 0.000107 -0.003433 0.000620 0.001271 414 F 36 Z -0.003215 -0.002679 0.001031 0.001977 -0.005095 415 F 36 XX 0.000022 0.000439 0.000011 -0.000158 0.000311 416 F 36 YY -0.000090 -0.000074 -0.000042 0.000039 -0.000006 417 F 36 ZZ 0.000068 -0.000365 0.000031 0.000119 -0.000305 418 F 36 XY 0.000030 0.000107 -0.000020 0.000015 0.000158 419 F 36 XZ -0.000047 -0.000529 -0.000057 0.000127 -0.000120 420 F 36 YZ 0.000406 -0.000046 0.000088 -0.000042 -0.000166 421 C 37 S 0.000413 -0.000840 -0.000233 0.000146 -0.000361 422 C 37 S -0.011209 -0.000041 -0.000756 0.005875 -0.002694 423 C 37 S -0.019037 0.028647 0.005990 0.006399 0.008975 424 C 37 X -0.005665 -0.002757 -0.002013 -0.019436 0.000081 425 C 37 Y -0.032076 -0.015982 -0.003576 -0.058274 0.011947 426 C 37 Z -0.028980 0.123177 -0.002697 0.336705 -0.047422 427 C 37 X -0.004626 -0.018377 -0.004248 -0.011715 -0.007022 428 C 37 Y -0.019069 -0.016489 -0.006900 -0.040459 0.010807 429 C 37 Z -0.017084 0.084845 -0.003858 0.290418 -0.054236 430 C 37 XX -0.007001 0.001394 -0.002498 -0.001049 -0.000615 431 C 37 YY 0.006456 -0.005160 0.003074 -0.004095 0.002111 432 C 37 ZZ 0.000545 0.003766 -0.000576 0.005144 -0.001495 433 C 37 XY -0.002314 -0.000110 0.000611 -0.000129 -0.000260 434 C 37 XZ 0.000750 -0.004154 -0.000300 -0.009159 0.000066 435 C 37 YZ -0.001014 0.015466 -0.002261 0.023401 -0.004227 436 S 38 S 0.001780 0.000141 0.000164 0.000205 0.000067 437 S 38 S 0.010264 0.000962 0.000925 0.001309 0.000428 438 S 38 S -0.045370 0.000828 -0.003299 -0.001278 0.000445 439 S 38 S -0.176297 -0.007158 -0.018502 -0.015340 -0.003706 440 S 38 X -0.000070 0.000057 0.000022 0.000122 -0.000063 441 S 38 Y 0.002629 0.000266 0.000357 0.000348 0.000097 442 S 38 Z 0.000210 -0.001776 0.000310 0.000605 0.000014 443 S 38 X 0.103641 -0.006026 0.009987 0.015039 -0.001128 444 S 38 Y -0.185568 -0.011961 -0.026775 0.002647 -0.012245 445 S 38 Z -0.039134 0.313644 -0.076002 -0.259515 0.103573 446 S 38 X 0.078558 -0.006085 0.011753 0.011305 -0.001266 447 S 38 Y -0.132645 -0.007806 -0.019075 0.004261 -0.011844 448 S 38 Z -0.036151 0.285547 -0.076739 -0.284729 0.124696 449 S 38 XX 0.009202 0.000629 0.000470 0.002988 0.001313 450 S 38 YY 0.009897 -0.000532 0.002070 -0.004258 0.000044 451 S 38 ZZ -0.019098 -0.000097 -0.002539 0.001269 -0.001357 452 S 38 XY 0.008797 -0.001544 0.001529 0.001995 0.001001 453 S 38 XZ -0.001232 0.025308 -0.004055 0.023295 0.000990 454 S 38 YZ 0.000525 -0.007850 -0.000236 0.015342 0.006144 455 S 38 XX 0.001608 0.000095 0.000025 0.000514 0.000181 456 S 38 YY 0.002042 -0.000052 0.000443 -0.000620 0.000033 457 S 38 ZZ -0.003650 -0.000043 -0.000468 0.000106 -0.000214 458 S 38 XY 0.001990 -0.000276 0.000405 0.000234 0.000169 459 S 38 XZ -0.000146 0.003631 -0.000514 0.004257 -0.000025 460 S 38 YZ 0.000085 -0.000859 -0.000180 0.002197 0.001149 461 H 39 S -0.008809 -0.000274 -0.003636 -0.010822 -0.003314 462 H 39 S 0.002892 0.006723 -0.001687 -0.007424 0.000800 463 H 39 X -0.000575 0.000452 -0.000303 0.000362 0.000361 464 H 39 Y 0.000357 -0.000525 0.000533 -0.002484 0.000338 465 H 39 Z -0.000681 0.004218 0.000510 0.011981 -0.001903 101 102 103 104 105 -0.2031 -0.0334 0.1576 0.1378 0.1399 A A A A A 1 C 1 S -0.000001 0.000671 0.000713 0.000081 -0.015711 2 C 1 S 0.006756 0.004376 -0.003974 0.013253 0.046889 3 C 1 S 0.026984 0.001030 -0.004126 0.062485 0.551230 4 C 1 X -0.020558 -0.032009 -0.025886 -0.000095 0.078740 5 C 1 Y 0.019257 0.011095 0.017535 0.010432 0.103237 6 C 1 Z -0.233419 -0.319036 -0.428713 -0.001522 -0.007000 7 C 1 X -0.026754 -0.029081 -0.022734 0.030089 0.250618 8 C 1 Y 0.016516 0.005012 0.005142 -0.024115 0.243524 9 C 1 Z -0.189826 -0.340921 -0.458131 0.004791 -0.010706 10 C 1 XX 0.003571 -0.001479 0.000614 -0.001708 -0.013140 11 C 1 YY -0.000386 0.001653 -0.002525 0.001964 0.016432 12 C 1 ZZ -0.003186 -0.000174 0.001911 -0.000256 -0.003292 13 C 1 XY -0.000703 0.000329 0.002320 -0.001018 -0.009012 14 C 1 XZ 0.017469 -0.000035 -0.014139 0.001903 0.002069 15 C 1 YZ -0.001513 0.000319 0.002119 0.001553 0.002405 16 C 2 S 0.001121 0.000011 -0.000576 -0.001256 0.000388 17 C 2 S 0.004916 -0.003304 0.008423 0.008067 -0.005896 18 C 2 S -0.021439 0.003425 0.034974 0.110368 -0.075437 19 C 2 X -0.004161 0.006240 0.025559 -0.011865 -0.045880 20 C 2 Y 0.016426 -0.009526 -0.023010 0.011029 0.038508 21 C 2 Z -0.173195 0.062972 0.485430 -0.005895 -0.003354 22 C 2 X -0.025214 0.008548 0.020622 -0.021431 -0.066043 23 C 2 Y 0.006412 -0.000852 -0.015759 0.042845 -0.035156 24 C 2 Z -0.151681 0.076508 0.536461 -0.046359 -0.004932 25 C 2 XX -0.000946 -0.000314 -0.004152 0.003097 0.006322 26 C 2 YY -0.001675 -0.003280 -0.000838 -0.002508 -0.007954 27 C 2 ZZ 0.002621 0.003594 0.004989 -0.000590 0.001632 28 C 2 XY -0.000326 -0.001550 0.001979 -0.001541 0.011082 29 C 2 XZ -0.019710 -0.023548 -0.015469 -0.001640 -0.000061 30 C 2 YZ 0.010328 0.023930 0.000147 0.003239 0.000983 31 C 3 S -0.000201 0.001378 -0.001635 0.004063 0.000727 32 C 3 S 0.004867 0.002111 -0.003949 -0.012290 -0.011121 33 C 3 S 0.014722 -0.014623 0.010014 -0.148823 -0.035118 34 C 3 X -0.017291 -0.024945 0.023594 -0.022850 0.022417 35 C 3 Y -0.011717 -0.015554 0.020216 -0.017871 0.039643 36 C 3 Z 0.179587 0.281289 -0.209390 0.051778 0.017516 37 C 3 X 0.020488 -0.021430 0.036883 -0.133894 0.093089 38 C 3 Y -0.014758 -0.012749 0.039017 0.000065 -0.093052 39 C 3 Z 0.175421 0.369731 -0.330272 0.084072 0.000736 40 C 3 XX 0.000861 0.001591 -0.001560 -0.002941 -0.014623 41 C 3 YY 0.001875 -0.001905 0.003211 0.004457 0.013764 42 C 3 ZZ -0.002736 0.000314 -0.001651 -0.001515 0.000859 43 C 3 XY 0.001154 -0.000603 -0.001229 0.002280 -0.001296 44 C 3 XZ -0.024173 0.013712 0.010187 0.000636 0.003751 45 C 3 YZ 0.019027 -0.013115 -0.033101 -0.000331 0.001746 46 C 4 S 0.001935 -0.001066 0.001655 0.002009 0.004055 47 C 4 S 0.023335 -0.023312 0.015699 0.028793 -0.081753 48 C 4 S 0.016402 -0.071874 0.018600 0.040738 -0.361535 49 C 4 X 0.002216 -0.006250 0.027269 -0.032977 -0.148944 50 C 4 Y 0.039431 -0.047091 0.023663 0.051815 0.083385 51 C 4 Z -0.059166 -0.001392 -0.012441 -0.011782 0.056858 52 C 4 X 0.023487 -0.003118 0.048017 -0.185771 -0.354279 53 C 4 Y 0.066959 -0.044817 0.019904 -0.059728 0.271676 54 C 4 Z -0.063952 0.009713 -0.005014 0.101462 0.133211 55 C 4 XX 0.005352 0.007315 -0.002030 0.006902 0.011895 56 C 4 YY 0.005495 0.008562 -0.004555 -0.007729 -0.001514 57 C 4 ZZ -0.010847 -0.015878 0.006585 0.000828 -0.010381 58 C 4 XY 0.000154 -0.001809 -0.001601 -0.006996 -0.000564 59 C 4 XZ -0.003698 -0.010517 0.014200 -0.004179 0.001056 60 C 4 YZ -0.010725 -0.015590 0.008207 0.001933 -0.001734 61 S 5 S 0.000114 0.000386 0.000297 -0.000185 0.001041 62 S 5 S 0.000696 0.003242 0.001687 -0.000415 0.007764 63 S 5 S -0.002276 0.015740 -0.008136 0.013072 0.018631 64 S 5 S -0.007997 0.015295 -0.030158 0.067797 -0.013170 65 S 5 X -0.000135 -0.000350 0.000043 0.000104 0.000479 66 S 5 Y -0.000085 -0.000046 -0.000183 0.000013 -0.011136 67 S 5 Z 0.000207 0.000219 0.001259 -0.000122 -0.002060 68 S 5 X 0.014099 -0.017796 0.029755 -0.015160 -0.070745 69 S 5 Y -0.012932 0.012980 -0.030459 0.025769 0.162352 70 S 5 Z 0.133074 0.079461 0.088052 0.019308 0.026327 71 S 5 X 0.020371 -0.016545 0.050333 -0.061293 -0.157091 72 S 5 Y -0.019779 0.013078 -0.046126 0.079853 0.712773 73 S 5 Z 0.186058 0.144684 0.165840 0.039481 0.118006 74 S 5 XX 0.000783 0.004555 0.001612 -0.004277 -0.023634 75 S 5 YY 0.003597 -0.003086 -0.000759 0.005439 0.020638 76 S 5 ZZ -0.004380 -0.001470 -0.000853 -0.001162 0.002996 77 S 5 XY -0.000513 0.002469 -0.000698 0.006635 0.090899 78 S 5 XZ 0.010745 0.012145 0.020783 0.000368 0.013419 79 S 5 YZ 0.013906 0.031655 0.032999 -0.008449 -0.011507 80 S 5 XX 0.000107 0.000670 0.000490 -0.000891 -0.005533 81 S 5 YY 0.000717 -0.000453 -0.000175 0.000644 0.005666 82 S 5 ZZ -0.000824 -0.000216 -0.000316 0.000247 -0.000133 83 S 5 XY -0.000058 0.000274 -0.000212 0.001731 0.019430 84 S 5 XZ 0.002269 0.002391 0.003837 0.000190 0.003252 85 S 5 YZ 0.002469 0.005304 0.006294 -0.001418 -0.002747 86 H 6 S -0.007200 -0.007492 -0.005843 -0.008694 0.034197 87 H 6 S -0.012992 -0.005974 0.001993 -0.052056 0.054041 88 H 6 X -0.000018 0.000131 0.000791 -0.001856 -0.004376 89 H 6 Y 0.000410 -0.000112 -0.001063 0.000470 0.004415 90 H 6 Z -0.005699 0.002396 0.015406 -0.000418 -0.000171 91 C 7 S 0.000834 -0.000945 0.001062 0.000508 0.005905 92 C 7 S 0.006312 -0.007712 0.001138 -0.014964 -0.081991 93 C 7 S 0.027160 -0.016336 -0.025054 -0.043795 -0.346349 94 C 7 X -0.047408 0.061026 -0.035524 0.024112 -0.033985 95 C 7 Y 0.005566 -0.003496 0.006971 -0.051816 -0.079965 96 C 7 Z -0.244199 0.285068 -0.159284 0.021349 -0.040932 97 C 7 X -0.070230 0.125473 -0.093212 0.181079 -0.038866 98 C 7 Y -0.001563 -0.010044 0.024579 -0.109590 -0.334355 99 C 7 Z -0.230826 0.380825 -0.229277 -0.022482 -0.074679 100 C 7 XX 0.003544 -0.001941 -0.000392 -0.000932 0.002386 101 C 7 YY 0.002692 0.002737 -0.002326 0.003632 0.001464 102 C 7 ZZ -0.006236 -0.000796 0.002718 -0.002700 -0.003850 103 C 7 XY -0.000237 -0.000452 0.000016 -0.001078 -0.015021 104 C 7 XZ 0.016561 0.008151 -0.011295 -0.002547 -0.004046 105 C 7 YZ 0.014299 0.004810 -0.007905 -0.010191 -0.001554 106 C 8 S 0.000245 -0.000202 0.000030 0.000507 -0.011429 107 C 8 S 0.009248 -0.006954 0.003481 0.016652 0.061256 108 C 8 S 0.016281 -0.022624 0.008706 0.027104 0.483878 109 C 8 X -0.012170 0.022068 -0.014339 -0.024836 -0.132369 110 C 8 Y -0.002379 0.000456 0.000918 -0.049638 0.009250 111 C 8 Z -0.035037 -0.035402 0.024893 0.362435 -0.063788 112 C 8 X -0.013385 0.033819 -0.020284 -0.059531 -0.122238 113 C 8 Y -0.002425 0.010531 -0.003867 -0.008267 0.187323 114 C 8 Z -0.024508 -0.044740 0.029356 0.667993 -0.100233 115 C 8 XX 0.001530 -0.000431 0.000216 0.003309 -0.003089 116 C 8 YY -0.001794 -0.000371 0.000181 -0.006680 0.004881 117 C 8 ZZ 0.000264 0.000802 -0.000397 0.003371 -0.001792 118 C 8 XY -0.000110 0.001187 -0.000570 0.006160 0.013107 119 C 8 XZ -0.009811 0.006169 -0.002686 -0.014538 0.003900 120 C 8 YZ 0.007664 -0.005789 0.003091 0.026099 -0.001029 121 C 9 S 0.001789 0.002037 -0.003239 0.002637 0.008058 122 C 9 S 0.018337 0.022749 -0.014418 0.014674 0.012621 123 C 9 S 0.008501 0.023841 0.014790 -0.036576 -0.312247 124 C 9 X 0.002517 0.014057 -0.009110 0.014293 -0.075654 125 C 9 Y -0.030365 -0.049676 0.026805 0.003822 -0.003008 126 C 9 Z 0.060143 -0.004021 -0.000443 -0.009515 0.011070 127 C 9 X -0.003670 0.009379 -0.056806 0.136352 -0.120081 128 C 9 Y -0.002682 -0.085659 0.035058 -0.200143 -0.099134 129 C 9 Z 0.045403 -0.027886 0.016430 0.069723 -0.125115 130 C 9 XX 0.006714 -0.008227 0.004024 0.003395 0.001241 131 C 9 YY 0.006813 -0.007912 0.005993 0.012534 -0.007324 132 C 9 ZZ -0.013527 0.016139 -0.010017 -0.015928 0.006083 133 C 9 XY -0.001758 0.000415 0.000451 0.006067 0.008245 134 C 9 XZ 0.006861 -0.013015 0.007785 -0.020130 0.003024 135 C 9 YZ -0.010152 0.012785 -0.007647 -0.025341 0.000105 136 C 10 S -0.001040 -0.003659 0.003303 -0.002294 0.003403 137 C 10 S -0.003853 -0.005702 0.002296 0.001489 -0.012945 138 C 10 S 0.002553 0.090230 -0.068265 0.105452 -0.190072 139 C 10 X -0.025584 -0.019088 0.018931 0.015478 0.010460 140 C 10 Y -0.012432 -0.007542 0.011744 -0.003161 0.011347 141 C 10 Z -0.198738 -0.126757 0.158727 0.035358 0.045171 142 C 10 X -0.059589 -0.036096 0.044463 0.023886 -0.114031 143 C 10 Y -0.037252 0.022654 -0.011551 0.072484 0.137597 144 C 10 Z -0.178045 -0.189483 0.222786 0.058394 0.102165 145 C 10 XX -0.006817 0.009269 -0.005082 0.009341 0.002880 146 C 10 YY 0.002339 -0.004174 0.002885 -0.007686 -0.003021 147 C 10 ZZ 0.004478 -0.005095 0.002197 -0.001655 0.000141 148 C 10 XY -0.000414 -0.000390 -0.000911 -0.004272 -0.008384 149 C 10 XZ -0.013416 0.023375 -0.015775 0.002484 -0.003578 150 C 10 YZ -0.027152 0.032544 -0.010535 0.003894 0.002163 151 C 11 S 0.000963 -0.001197 0.000322 0.001372 -0.005184 152 C 11 S -0.001210 0.001254 0.004445 -0.014438 -0.029430 153 C 11 S -0.019676 0.046359 -0.016831 -0.076779 0.168178 154 C 11 X -0.011019 0.011941 0.005935 -0.002342 -0.008907 155 C 11 Y 0.009676 -0.004459 0.001175 -0.014503 0.017408 156 C 11 Z 0.256553 -0.198921 -0.018668 -0.029609 -0.041731 157 C 11 X 0.025428 -0.007906 0.020159 -0.043916 0.036667 158 C 11 Y -0.012127 -0.015996 0.002305 0.020401 0.109375 159 C 11 Z 0.247683 -0.263933 0.004078 -0.053256 -0.058633 160 C 11 XX -0.002716 -0.002816 0.004280 -0.002884 0.008106 161 C 11 YY 0.001511 0.001592 -0.002935 0.003101 -0.004764 162 C 11 ZZ 0.001205 0.001224 -0.001345 -0.000217 -0.003342 163 C 11 XY -0.003109 -0.001181 0.001906 0.003506 0.010335 164 C 11 XZ 0.011570 0.028253 -0.025811 0.006385 0.003198 165 C 11 YZ -0.017837 -0.025180 0.023015 0.000451 0.003620 166 C 12 S -0.001144 0.009056 -0.005734 0.002889 0.002855 167 C 12 S -0.014565 0.020565 -0.006871 0.016620 0.015268 168 C 12 S -0.034596 -0.101070 0.089267 0.009048 -0.097604 169 C 12 X -0.008785 0.014380 -0.003522 0.015713 0.006753 170 C 12 Y 0.007443 0.009585 -0.009445 -0.000371 0.012249 171 C 12 Z -0.009892 -0.035662 0.033895 -0.003733 0.016055 172 C 12 X -0.011852 -0.001933 0.006604 -0.033471 -0.009529 173 C 12 Y 0.012563 0.044782 -0.037560 -0.017595 0.106475 174 C 12 Z -0.000890 0.001588 0.005737 -0.055069 0.039700 175 C 12 XX -0.005037 -0.001669 0.003386 -0.000838 0.002414 176 C 12 YY -0.001589 -0.009993 0.007601 0.001164 0.000576 177 C 12 ZZ 0.006626 0.011662 -0.010987 -0.000326 -0.002990 178 C 12 XY -0.001859 0.001124 0.000565 0.000367 0.002977 179 C 12 XZ -0.013235 -0.011854 0.013468 0.004668 0.007311 180 C 12 YZ 0.002206 0.009976 -0.007799 0.001494 -0.002564 181 C 13 S 0.000194 -0.010844 0.007305 0.000399 -0.005984 182 C 13 S -0.001630 -0.026868 0.018291 0.001251 -0.008223 183 C 13 S -0.006025 0.112014 -0.074325 -0.016514 0.121058 184 C 13 X -0.001633 0.003483 -0.002470 0.003887 -0.001120 185 C 13 Y -0.026405 -0.002931 0.013473 -0.001654 0.022398 186 C 13 Z -0.002249 -0.022195 0.017432 -0.014323 0.001432 187 C 13 X -0.001987 0.054618 -0.037996 0.004353 0.026649 188 C 13 Y -0.016410 0.003080 0.002913 -0.033205 0.054428 189 C 13 Z -0.000537 -0.022916 0.011190 -0.010114 0.029271 190 C 13 XX -0.001392 0.010859 -0.006845 0.002965 0.000700 191 C 13 YY 0.000403 -0.000835 0.000425 -0.000321 -0.000276 192 C 13 ZZ 0.000989 -0.010024 0.006420 -0.002644 -0.000424 193 C 13 XY -0.000301 0.002325 -0.002339 -0.000443 -0.002071 194 C 13 XZ 0.000726 -0.007639 0.004873 -0.001778 0.000806 195 C 13 YZ -0.000914 0.000635 0.000237 -0.000111 0.001684 196 C 14 S -0.001038 0.004677 -0.003556 0.000286 0.001166 197 C 14 S -0.002239 -0.000424 -0.000721 0.004241 0.020797 198 C 14 S 0.019737 -0.101702 0.073209 -0.009738 0.051581 199 C 14 X -0.015634 -0.006276 0.010297 0.008044 0.034383 200 C 14 Y 0.003451 -0.012840 0.008076 -0.006574 0.012048 201 C 14 Z 0.022009 -0.050549 0.019085 -0.023531 -0.015361 202 C 14 X 0.000123 -0.002476 0.008839 0.022201 0.037796 203 C 14 Y 0.009131 -0.046944 0.033423 -0.023747 -0.028645 204 C 14 Z 0.010195 -0.015071 0.023314 -0.047278 -0.017517 205 C 14 XX 0.000790 0.000894 -0.001575 0.001167 -0.004252 206 C 14 YY 0.003198 -0.007849 0.003417 -0.002441 -0.000363 207 C 14 ZZ -0.003988 0.006955 -0.001842 0.001275 0.004614 208 C 14 XY -0.001129 0.001648 -0.000531 -0.001075 -0.000295 209 C 14 XZ 0.016343 -0.016423 0.000463 -0.002723 -0.004405 210 C 14 YZ 0.011509 -0.020345 0.007166 -0.005407 -0.001937 211 F 15 S -0.000194 -0.000266 0.000507 -0.001698 0.000524 212 F 15 S 0.007675 0.013944 -0.013356 -0.000992 -0.009579 213 F 15 S 0.018746 0.037618 -0.039395 0.023327 -0.033829 214 F 15 X 0.029015 0.025012 -0.027931 -0.002926 -0.015780 215 F 15 Y -0.002788 -0.028165 0.018586 -0.003159 -0.008544 216 F 15 Z -0.024050 -0.029782 0.030914 0.002020 0.018535 217 F 15 X 0.027098 0.023778 -0.027455 0.000906 -0.015968 218 F 15 Y -0.004584 -0.027365 0.019597 -0.001836 -0.014922 219 F 15 Z -0.018720 -0.029448 0.029697 -0.005062 0.021949 220 F 15 XX -0.000479 -0.000180 0.000335 0.000109 0.000431 221 F 15 YY 0.000280 -0.000253 0.000010 -0.000436 -0.000182 222 F 15 ZZ 0.000200 0.000433 -0.000345 0.000326 -0.000248 223 F 15 XY -0.000108 0.000440 -0.000210 -0.000101 0.000370 224 F 15 XZ -0.000216 -0.000267 0.000167 -0.000406 -0.000207 225 F 15 YZ -0.000081 0.000049 0.000044 0.000005 -0.000051 226 F 16 S -0.000162 -0.000098 -0.000011 0.000357 0.000440 227 F 16 S -0.003318 -0.005216 0.004735 -0.002515 -0.014981 228 F 16 S -0.005917 -0.008398 0.009978 -0.013516 -0.051753 229 F 16 X -0.014144 -0.010589 0.010531 -0.005228 -0.028189 230 F 16 Y 0.006748 0.023583 -0.019050 0.002825 -0.007821 231 F 16 Z 0.008927 0.003442 -0.006794 0.002758 -0.015402 232 F 16 X -0.011311 -0.010812 0.010397 -0.000954 -0.024387 233 F 16 Y 0.004181 0.014478 -0.012531 0.009957 0.003687 234 F 16 Z 0.007101 0.004435 -0.006968 0.004453 -0.024070 235 F 16 XX 0.000094 -0.000393 0.000288 0.000033 0.001069 236 F 16 YY -0.000134 0.000612 -0.000444 0.000081 -0.000635 237 F 16 ZZ 0.000040 -0.000219 0.000156 -0.000114 -0.000434 238 F 16 XY -0.000066 -0.000646 0.000506 0.000025 0.001470 239 F 16 XZ -0.000454 0.000059 0.000182 -0.000018 0.000322 240 F 16 YZ 0.000120 -0.000104 0.000011 -0.000068 0.000328 241 F 17 S 0.000159 0.000109 -0.000363 0.000853 0.000429 242 F 17 S 0.008158 -0.008680 0.003921 -0.006617 -0.005542 243 F 17 S 0.015974 -0.019522 0.013434 -0.032274 -0.025132 244 F 17 X 0.028092 -0.009999 0.003127 -0.010043 -0.016059 245 F 17 Y 0.029050 -0.036744 0.006257 -0.017947 -0.009333 246 F 17 Z 0.000552 -0.004327 0.001212 -0.003577 -0.003568 247 F 17 X 0.024786 -0.012498 0.001958 -0.009376 -0.014958 248 F 17 Y 0.022988 -0.027008 0.005453 -0.022036 -0.010892 249 F 17 Z -0.001060 -0.001182 0.000448 -0.004861 -0.008061 250 F 17 XX -0.000211 -0.000488 0.000110 0.000138 0.000103 251 F 17 YY 0.000052 0.000668 -0.000253 0.000132 0.000329 252 F 17 ZZ 0.000159 -0.000180 0.000143 -0.000270 -0.000432 253 F 17 XY -0.000426 0.000423 0.000280 0.000274 0.000410 254 F 17 XZ 0.000339 -0.000151 0.000092 0.000053 0.000244 255 F 17 YZ 0.000161 0.000218 -0.000276 -0.000066 -0.000232 256 F 18 S 0.000175 -0.000344 0.000758 -0.001006 0.000177 257 F 18 S -0.011535 0.015839 -0.003694 0.004358 0.002781 258 F 18 S -0.027585 0.042344 -0.020814 0.028085 0.005226 259 F 18 X -0.034804 0.029452 -0.003990 0.005081 0.000346 260 F 18 Y -0.025885 0.045706 -0.014017 0.013879 0.004984 261 F 18 Z 0.020743 -0.029871 0.007053 -0.006735 -0.004457 262 F 18 X -0.031350 0.029428 -0.004627 0.004762 -0.001029 263 F 18 Y -0.023854 0.043190 -0.015973 0.016395 0.007592 264 F 18 Z 0.016049 -0.025887 0.008921 -0.010043 -0.001167 265 F 18 XX 0.000392 -0.000007 -0.000164 0.000085 0.000045 266 F 18 YY -0.000163 -0.000299 0.000303 -0.000272 0.000226 267 F 18 ZZ -0.000229 0.000307 -0.000139 0.000187 -0.000270 268 F 18 XY 0.000140 -0.000662 0.000122 -0.000232 -0.000056 269 F 18 XZ 0.000608 0.000032 -0.000188 -0.000064 -0.000331 270 F 18 YZ 0.000110 -0.000012 0.000009 0.000140 0.000075 271 C 19 S -0.000314 0.000765 -0.000607 -0.002383 -0.004853 272 C 19 S -0.003442 0.002652 -0.001584 0.009498 0.025585 273 C 19 S -0.000541 -0.010330 0.007077 0.077775 0.129049 274 C 19 X 0.005992 -0.004718 0.002218 -0.002347 -0.013257 275 C 19 Y 0.005602 -0.002007 0.001031 0.002812 0.032644 276 C 19 Z -0.003328 0.010261 -0.005614 0.028032 -0.007236 277 C 19 X 0.003719 0.001206 -0.000997 0.049717 0.081449 278 C 19 Y 0.004726 -0.001608 -0.000632 0.021455 0.171036 279 C 19 Z -0.016352 0.022405 -0.011354 0.096617 -0.000500 280 C 19 XX 0.000658 -0.001609 0.001036 -0.001839 0.002353 281 C 19 YY -0.000954 0.000505 -0.000248 0.006722 -0.008023 282 C 19 ZZ 0.000296 0.001104 -0.000788 -0.004883 0.005670 283 C 19 XY -0.000185 -0.000765 0.000565 0.001619 0.000151 284 C 19 XZ 0.000211 0.001119 -0.000741 -0.012110 0.001376 285 C 19 YZ 0.001824 0.002969 -0.001927 -0.031009 0.003012 286 H 20 S 0.004034 -0.007007 0.003787 -0.011984 -0.003188 287 H 20 S 0.004759 -0.010440 0.007122 -0.083868 -0.040780 288 H 20 X -0.000042 0.000059 -0.000062 0.000699 0.001274 289 H 20 Y 0.000199 -0.000250 0.000137 -0.000743 0.000347 290 H 20 Z -0.000070 0.000327 -0.000229 -0.001079 -0.000162 291 H 21 S -0.004157 -0.007683 0.005028 0.095301 -0.007348 292 H 21 S -0.021803 0.013481 -0.006393 0.274131 -0.262876 293 H 21 X 0.000774 -0.000999 0.000565 0.003464 0.000752 294 H 21 Y 0.000937 -0.000913 0.000522 0.004893 0.000166 295 H 21 Z -0.000092 0.000329 -0.000143 0.002147 -0.002726 296 C 22 S -0.000183 -0.000226 0.000582 -0.002718 -0.012483 297 C 22 S -0.002376 0.000707 -0.001288 0.007284 0.036816 298 C 22 S -0.000614 0.003669 -0.018814 0.071670 0.412758 299 C 22 X 0.003257 0.003266 0.000900 0.002085 0.029724 300 C 22 Y -0.006929 -0.000862 -0.003749 -0.008100 -0.009455 301 C 22 Z 0.023908 0.020845 0.018643 -0.001541 -0.010908 302 C 22 X 0.005984 0.003553 0.006643 0.009483 0.037162 303 C 22 Y -0.001916 -0.005334 -0.006316 -0.058614 -0.185703 304 C 22 Z 0.015300 0.015521 0.050120 -0.020594 -0.047365 305 C 22 XX 0.000966 0.001735 0.001383 -0.000028 -0.003320 306 C 22 YY 0.000690 0.000303 0.001551 -0.000781 -0.002958 307 C 22 ZZ -0.001656 -0.002038 -0.002934 0.000809 0.006278 308 C 22 XY -0.000823 -0.002554 -0.001438 0.000396 0.002017 309 C 22 XZ 0.010517 0.014685 0.015480 0.000605 0.000519 310 C 22 YZ -0.010346 -0.015965 -0.017533 -0.000065 -0.000376 311 H 23 S 0.001068 -0.006173 0.001416 -0.003346 -0.016213 312 H 23 S 0.003230 -0.011038 0.004282 -0.070904 -0.194225 313 H 23 X 0.000187 -0.000112 0.000172 -0.000399 -0.001723 314 H 23 Y -0.000115 -0.000082 -0.000119 -0.000661 -0.001045 315 H 23 Z 0.000451 0.000942 0.000980 -0.000015 -0.000184 316 H 24 S 0.043725 0.062365 0.057563 0.004230 0.007687 317 H 24 S 0.050351 0.085852 0.074461 -0.031030 -0.201067 318 H 24 X -0.001166 -0.000695 -0.000968 0.000055 0.000954 319 H 24 Y 0.001039 -0.000168 0.000846 0.000048 -0.000141 320 H 24 Z -0.000286 -0.000509 -0.000519 0.000573 0.002665 321 H 25 S -0.042511 -0.055755 -0.057766 -0.001441 0.005670 322 H 25 S -0.050605 -0.085025 -0.071208 -0.059749 -0.286860 323 H 25 X 0.001139 0.000817 0.000873 0.000373 0.001467 324 H 25 Y -0.001329 0.000039 -0.000736 -0.000439 -0.001517 325 H 25 Z -0.000597 -0.000489 -0.000621 -0.000751 -0.003742 326 C 26 S 0.000753 -0.001360 -0.000212 0.011200 0.007801 327 C 26 S -0.019784 0.041918 -0.023796 -0.045136 0.004932 328 C 26 S -0.034303 0.104229 -0.055649 -0.325566 -0.139669 329 C 26 X 0.003850 -0.003920 0.020905 -0.015642 -0.023969 330 C 26 Y -0.036140 0.005295 -0.003906 -0.002191 0.012338 331 C 26 Z -0.072964 0.057119 -0.034254 -0.054423 0.018889 332 C 26 X 0.004097 -0.000217 0.034261 0.002012 -0.069756 333 C 26 Y -0.027778 0.020182 -0.011912 0.108203 0.048194 334 C 26 Z -0.068963 0.035124 -0.027933 -0.052455 0.003368 335 C 26 XX 0.004953 -0.001870 0.001324 -0.001268 0.001421 336 C 26 YY -0.001764 -0.001867 0.000924 0.000132 -0.000188 337 C 26 ZZ -0.003189 0.003737 -0.002248 0.001136 -0.001233 338 C 26 XY -0.000981 0.003001 -0.000767 0.010437 -0.002236 339 C 26 XZ -0.001099 0.003281 -0.002596 0.007256 -0.003560 340 C 26 YZ 0.000734 -0.001907 0.001555 0.008568 -0.000929 341 H 27 S 0.013369 0.005976 -0.007175 0.058769 -0.003235 342 H 27 S 0.004130 -0.005313 0.011007 0.275325 -0.031689 343 H 27 X 0.001196 -0.000224 -0.000862 0.001968 -0.000654 344 H 27 Y 0.001288 0.001961 -0.002033 0.001081 0.000004 345 H 27 Z -0.002400 0.001397 -0.000025 -0.004571 0.001531 346 H 28 S -0.012848 0.002391 -0.004876 -0.020189 -0.000810 347 H 28 S -0.012358 -0.002740 0.001150 -0.020776 -0.030830 348 H 28 X -0.000187 0.000658 0.000149 0.000288 -0.000475 349 H 28 Y -0.000348 -0.000844 0.000609 -0.001287 0.001110 350 H 28 Z -0.002280 0.001336 -0.000660 -0.001443 0.000314 351 H 29 S 0.028611 -0.021990 0.022137 -0.028049 0.019156 352 H 29 S 0.014408 -0.072738 0.022484 0.121310 0.161501 353 H 29 X -0.001437 0.000091 -0.001031 -0.000566 0.001347 354 H 29 Y 0.000396 0.000663 0.001009 0.002600 0.000755 355 H 29 Z -0.002099 0.001443 -0.001860 0.000683 0.002923 356 C 30 S 0.000163 0.001228 0.000263 -0.002877 0.007072 357 C 30 S -0.018069 -0.041740 0.019394 0.020279 -0.012494 358 C 30 S -0.028491 -0.121225 0.050415 0.134333 -0.215334 359 C 30 X -0.007213 0.008835 -0.014901 0.038833 -0.037058 360 C 30 Y 0.024929 0.009817 0.000372 0.025215 -0.014599 361 C 30 Z 0.060650 0.054526 -0.023961 0.022453 -0.011602 362 C 30 X -0.005259 0.006851 -0.010987 0.119202 -0.075957 363 C 30 Y 0.002774 0.019127 -0.003399 0.058705 -0.107206 364 C 30 Z 0.050309 0.039861 -0.023738 0.134494 -0.029983 365 C 30 XX 0.004122 0.001366 -0.000620 0.005381 0.000559 366 C 30 YY -0.002094 0.002764 -0.001835 -0.004776 -0.000152 367 C 30 ZZ -0.002028 -0.004129 0.002455 -0.000605 -0.000408 368 C 30 XY 0.001244 0.001559 -0.004304 -0.000399 0.001097 369 C 30 XZ -0.000723 0.001318 -0.003329 0.004827 0.004534 370 C 30 YZ 0.001119 0.002277 -0.001935 0.001843 -0.005342 371 H 31 S -0.007759 -0.004657 -0.001242 -0.019351 0.010784 372 H 31 S -0.011963 0.009534 0.004312 -0.096689 0.023187 373 H 31 X -0.000260 -0.000636 -0.000362 0.001346 0.000137 374 H 31 Y 0.001307 -0.000770 0.000553 -0.000170 -0.000804 375 H 31 Z 0.001878 0.001391 -0.000294 0.000222 0.001445 376 H 32 S 0.017251 -0.003663 0.023483 -0.008716 -0.010724 377 H 32 S 0.019009 0.013029 0.012621 -0.053099 -0.047506 378 H 32 X 0.001274 -0.000236 0.001087 -0.002149 -0.000672 379 H 32 Y -0.001766 0.002289 -0.000967 0.000490 -0.000178 380 H 32 Z 0.001958 0.001235 -0.000405 -0.001966 -0.000255 381 H 33 S 0.012819 0.019463 -0.025612 0.022474 0.010774 382 H 33 S 0.013832 0.059671 -0.044118 -0.178505 0.259645 383 H 33 X -0.000272 -0.000329 0.000561 -0.000552 0.000140 384 H 33 Y -0.000058 0.000120 -0.000667 -0.003743 -0.002139 385 H 33 Z 0.001973 0.001768 -0.001093 0.005712 -0.004151 386 H 34 S 0.002706 0.014894 -0.009216 -0.082878 0.015020 387 H 34 S 0.020236 -0.003122 -0.000444 -0.361075 -0.125760 388 H 34 X -0.000429 0.000722 -0.000407 -0.003733 0.000808 389 H 34 Y -0.000498 0.000629 -0.000279 -0.004151 0.000549 390 H 34 Z -0.000103 -0.000051 0.000000 0.002150 0.001725 391 F 35 S 0.000016 -0.000229 0.000151 -0.000181 0.000627 392 F 35 S -0.000221 0.004835 -0.003306 0.001634 0.000106 393 F 35 S -0.000600 0.013398 -0.009068 0.006831 -0.009291 394 F 35 X -0.001335 0.020167 -0.012873 0.005995 -0.000384 395 F 35 Y 0.010829 0.003097 -0.006749 0.000919 -0.010958 396 F 35 Z 0.000950 0.005047 -0.004068 0.003680 -0.000844 397 F 35 X -0.000823 0.013037 -0.008241 0.006374 -0.006022 398 F 35 Y 0.009704 0.002169 -0.005395 0.002499 -0.014329 399 F 35 Z 0.000481 0.007561 -0.004928 0.003262 -0.001150 400 F 35 XX 0.000080 -0.000590 0.000397 -0.000252 -0.000186 401 F 35 YY -0.000075 0.000291 -0.000190 0.000163 0.000182 402 F 35 ZZ -0.000005 0.000299 -0.000207 0.000089 0.000004 403 F 35 XY -0.000272 -0.000160 0.000245 -0.000042 0.000388 404 F 35 XZ -0.000083 0.000074 0.000014 -0.000181 0.000072 405 F 35 YZ 0.000017 0.000024 -0.000037 0.000050 -0.000088 406 F 36 S -0.000064 0.001191 -0.000713 -0.000389 0.000235 407 F 36 S 0.000634 -0.009963 0.006630 -0.006451 -0.000233 408 F 36 S 0.002371 -0.043812 0.028031 -0.012567 -0.004869 409 F 36 X 0.001806 -0.032678 0.018922 -0.008326 0.001552 410 F 36 Y -0.000770 0.002624 -0.000772 0.003929 -0.002984 411 F 36 Z 0.003629 -0.023110 0.014723 -0.009672 -0.002198 412 F 36 X 0.001527 -0.028628 0.017651 -0.006441 0.000010 413 F 36 Y 0.000369 0.002822 -0.001825 0.005602 -0.005738 414 F 36 Z 0.003130 -0.026663 0.017300 -0.011415 -0.005981 415 F 36 XX -0.000065 0.000894 -0.000488 0.000109 -0.000081 416 F 36 YY 0.000083 -0.000107 -0.000022 0.000036 0.000103 417 F 36 ZZ -0.000018 -0.000787 0.000510 -0.000145 -0.000022 418 F 36 XY 0.000359 0.000033 -0.000239 -0.000118 -0.000358 419 F 36 XZ 0.000007 -0.000069 0.000017 0.000064 -0.000075 420 F 36 YZ -0.000332 -0.000003 0.000165 -0.000029 0.000316 421 C 37 S 0.000589 -0.000887 -0.000388 0.001108 0.001458 422 C 37 S 0.006036 -0.017233 0.009909 -0.012556 -0.033931 423 C 37 S 0.004832 -0.001057 0.032588 0.007000 -0.103393 424 C 37 X -0.007085 0.018697 -0.010360 0.009217 -0.076044 425 C 37 Y 0.006690 0.014124 -0.010545 0.044797 -0.033716 426 C 37 Z -0.070800 0.034004 -0.015861 -0.318782 0.040598 427 C 37 X 0.000274 -0.003426 -0.007136 -0.057336 -0.409266 428 C 37 Y 0.008473 0.005728 -0.013003 0.141777 -0.153899 429 C 37 Z -0.082657 0.049672 -0.029140 -0.625759 0.069575 430 C 37 XX -0.000899 -0.002177 0.001237 0.003202 0.001539 431 C 37 YY 0.003261 0.002429 -0.001269 -0.007455 0.000805 432 C 37 ZZ -0.002362 -0.000251 0.000033 0.004253 -0.002344 433 C 37 XY -0.000220 0.001747 -0.000860 -0.001596 -0.009014 434 C 37 XZ 0.000403 -0.001818 0.001457 -0.004867 0.001391 435 C 37 YZ -0.005012 -0.001598 0.001603 0.030057 -0.006591 436 S 38 S 0.000393 -0.000378 0.000157 -0.000359 -0.001241 437 S 38 S 0.002643 -0.002180 0.000771 -0.001499 -0.008836 438 S 38 S 0.000539 0.007846 -0.005619 0.016246 -0.015542 439 S 38 S -0.014648 0.036973 -0.024723 0.064237 0.090075 440 S 38 X 0.000205 -0.000480 0.000378 0.001603 0.006645 441 S 38 Y -0.000028 -0.000479 0.000431 0.001885 0.005209 442 S 38 Z 0.000317 0.000026 -0.000234 0.001468 -0.000322 443 S 38 X -0.000728 0.003124 -0.001724 -0.020597 -0.127936 444 S 38 Y -0.014459 -0.008181 0.004052 -0.026745 -0.087663 445 S 38 Z 0.175844 -0.093107 0.036256 -0.088021 0.017274 446 S 38 X -0.002726 0.011481 -0.004140 -0.098178 -0.432317 447 S 38 Y -0.016320 -0.006365 0.003321 -0.115871 -0.417444 448 S 38 Z 0.230593 -0.171636 0.084661 -0.231311 0.043297 449 S 38 XX 0.004887 -0.006300 0.003955 0.006874 0.075625 450 S 38 YY -0.002587 0.005645 -0.003464 -0.017384 -0.067477 451 S 38 ZZ -0.002300 0.000655 -0.000491 0.010510 -0.008148 452 S 38 XY 0.004060 -0.006282 0.003708 -0.019820 -0.007021 453 S 38 XZ 0.006156 -0.012274 0.006520 0.076435 -0.012217 454 S 38 YZ 0.022756 -0.042878 0.026649 0.000208 0.007962 455 S 38 XX 0.000863 -0.001270 0.000793 0.001804 0.015511 456 S 38 YY -0.000476 0.001096 -0.000687 -0.003704 -0.014859 457 S 38 ZZ -0.000387 0.000174 -0.000106 0.001900 -0.000652 458 S 38 XY 0.000793 -0.001167 0.000810 -0.003481 -0.001370 459 S 38 XZ 0.000633 -0.001785 0.000994 0.012446 -0.001752 460 S 38 YZ 0.004147 -0.007446 0.004605 -0.000214 0.001208 461 H 39 S -0.005099 0.001273 0.000538 0.017666 0.015034 462 H 39 S -0.006200 0.005086 -0.002117 0.099067 0.561509 463 H 39 X 0.000020 0.000271 -0.000202 0.000278 -0.005274 464 H 39 Y 0.000273 0.000898 -0.000134 0.001168 -0.006547 465 H 39 Z -0.002283 0.001853 -0.000480 -0.020015 0.003415 106 107 108 109 110 0.1609 0.1717 0.1854 0.1894 0.2026 A A A A A 1 C 1 S 0.008655 0.003478 -0.008701 0.000034 0.012365 2 C 1 S -0.041955 0.008724 0.045184 -0.026185 0.067419 3 C 1 S -0.318197 0.301564 0.089538 -0.074004 0.092106 4 C 1 X -0.067702 -0.016097 0.080445 -0.015227 0.045435 5 C 1 Y -0.084704 0.008193 0.088836 -0.026924 0.081432 6 C 1 Z 0.005715 -0.000221 -0.013107 -0.012070 0.012116 7 C 1 X -0.215168 -0.069853 0.352126 -0.152216 0.088218 8 C 1 Y -0.149358 -0.009587 0.026803 0.044373 0.092817 9 C 1 Z 0.022073 -0.006865 -0.082096 -0.101635 0.012101 10 C 1 XX 0.004756 -0.000447 -0.010561 -0.000188 0.015178 11 C 1 YY -0.004419 0.009640 0.003948 -0.000249 -0.000472 12 C 1 ZZ -0.000338 -0.009193 0.006613 0.000438 -0.014706 13 C 1 XY 0.004419 -0.006022 -0.005823 -0.001900 -0.003774 14 C 1 XZ -0.000856 -0.003059 -0.000127 -0.006430 -0.003159 15 C 1 YZ -0.000623 -0.001265 -0.001569 -0.005657 0.000354 16 C 2 S 0.001775 0.006491 -0.004775 0.005859 0.018647 17 C 2 S 0.018486 0.068556 -0.077930 0.008805 0.026318 18 C 2 S 0.057309 0.016125 -0.013929 -0.219049 -0.218802 19 C 2 X 0.012640 -0.042872 0.036716 0.000523 0.063243 20 C 2 Y -0.019007 -0.038074 0.075263 -0.008089 0.037275 21 C 2 Z -0.006769 0.027724 0.033240 0.073993 -0.006558 22 C 2 X -0.065993 -0.422024 0.487605 -0.060865 0.198448 23 C 2 Y -0.025543 -0.398257 0.524342 -0.122843 0.150950 24 C 2 Z -0.009168 0.066100 0.118907 0.258814 -0.026270 25 C 2 XX -0.002910 0.007357 0.001000 -0.004739 0.006710 26 C 2 YY 0.004697 -0.005926 0.001646 0.002226 0.002065 27 C 2 ZZ -0.001787 -0.001432 -0.002646 0.002513 -0.008775 28 C 2 XY -0.009396 0.005326 0.006388 -0.000253 0.007439 29 C 2 XZ 0.000229 -0.000218 -0.001918 -0.001265 0.000658 30 C 2 YZ 0.000927 -0.006325 -0.007240 -0.017434 0.002587 31 C 3 S -0.005491 -0.004170 -0.000179 -0.003100 0.001549 32 C 3 S -0.016803 -0.004459 0.025152 0.002443 0.023304 33 C 3 S 0.037665 -0.024000 0.025656 0.024620 0.128313 34 C 3 X -0.024470 -0.010161 0.050980 0.003030 0.007596 35 C 3 Y -0.046158 0.038602 0.039805 0.012318 0.001971 36 C 3 Z -0.000743 -0.051942 -0.075952 -0.196014 0.030421 37 C 3 X -0.038112 0.526857 -0.283911 0.092551 0.021667 38 C 3 Y 0.060495 -0.222761 0.346037 -0.119690 0.074159 39 C 3 Z 0.017885 -0.087208 -0.145931 -0.412837 0.096053 40 C 3 XX 0.008634 -0.008706 0.000544 0.001698 0.014220 41 C 3 YY -0.002415 0.015310 -0.005537 0.001363 -0.000618 42 C 3 ZZ -0.006219 -0.006605 0.004993 -0.003061 -0.013602 43 C 3 XY 0.003176 0.007456 -0.005586 -0.002185 -0.005359 44 C 3 XZ 0.000991 -0.004084 -0.007968 -0.023289 0.003927 45 C 3 YZ -0.000727 0.002697 -0.000491 -0.000573 0.000483 46 C 4 S -0.000230 0.013292 0.007012 0.008651 -0.007154 47 C 4 S 0.022847 -0.022818 -0.050965 -0.020064 0.041132 48 C 4 S 0.122022 -0.401260 -0.308596 -0.258128 0.295346 49 C 4 X 0.054111 -0.094213 -0.039864 0.011983 0.093029 50 C 4 Y -0.072528 0.042757 0.060845 -0.015074 -0.026831 51 C 4 Z -0.008978 0.011632 0.019768 -0.007249 -0.042136 52 C 4 X 0.181866 -0.222757 -0.138666 -0.007477 0.305135 53 C 4 Y -0.191155 0.294942 0.094128 -0.082772 -0.040136 54 C 4 Z -0.062950 0.049165 -0.095109 -0.146821 0.031404 55 C 4 XX -0.008192 0.001257 0.004496 -0.005296 -0.000515 56 C 4 YY 0.003605 -0.009905 -0.003837 -0.004496 0.002682 57 C 4 ZZ 0.004587 0.008648 -0.000659 0.009792 -0.002167 58 C 4 XY -0.014184 -0.005664 0.016060 -0.009548 0.005044 59 C 4 XZ 0.002793 0.002336 0.003678 0.013818 -0.003028 60 C 4 YZ -0.001712 0.002457 0.005703 0.017962 0.000247 61 S 5 S -0.000938 -0.003011 -0.000994 -0.001541 0.007652 62 S 5 S -0.004770 -0.015398 -0.009806 -0.010452 0.050871 63 S 5 S 0.027336 0.077729 -0.056465 -0.003419 0.001872 64 S 5 S 0.108955 0.379588 -0.101800 0.061071 -0.395350 65 S 5 X 0.000380 0.006316 0.001023 -0.000414 -0.003869 66 S 5 Y 0.006100 -0.002720 -0.009872 0.002595 -0.004427 67 S 5 Z 0.001438 -0.001513 -0.001455 -0.000359 0.000592 68 S 5 X 0.001586 -0.011788 0.017748 -0.017298 0.080179 69 S 5 Y -0.082642 0.028033 0.121859 -0.010761 -0.006170 70 S 5 Z -0.013677 0.011484 0.013062 0.007348 -0.014492 71 S 5 X 0.003521 -0.274857 0.000196 -0.013284 0.328308 72 S 5 Y -0.402388 0.172979 0.528702 -0.093704 0.044695 73 S 5 Z -0.070594 0.097766 0.085665 0.046854 -0.066892 74 S 5 XX 0.017732 0.006764 -0.019083 0.011872 0.020701 75 S 5 YY -0.028985 -0.008733 0.029682 -0.021409 0.048198 76 S 5 ZZ 0.011254 0.001969 -0.010599 0.009538 -0.068899 77 S 5 XY -0.054379 0.024444 0.055161 -0.006774 -0.001144 78 S 5 XZ -0.014381 0.013854 0.018813 0.014668 -0.018204 79 S 5 YZ 0.009377 -0.004161 -0.004887 0.008759 0.015595 80 S 5 XX 0.003871 -0.000783 -0.004103 0.002443 0.003599 81 S 5 YY -0.006102 -0.001415 0.006500 -0.003777 0.007770 82 S 5 ZZ 0.002231 0.002198 -0.002397 0.001334 -0.011369 83 S 5 XY -0.011538 0.006107 0.011551 -0.001448 -0.000449 84 S 5 XZ -0.002692 0.003540 0.003662 0.002462 -0.003274 85 S 5 YZ 0.001849 -0.001452 -0.001271 0.001207 0.002756 86 H 6 S -0.030188 0.008919 0.038759 0.001332 0.039555 87 H 6 S -0.168649 -0.667746 0.957250 -0.061181 0.443694 88 H 6 X 0.001754 -0.006982 0.004270 0.001594 0.002961 89 H 6 Y -0.002506 0.000269 0.002543 0.000045 -0.000794 90 H 6 Z -0.000683 0.002863 0.002921 0.006443 -0.000756 91 C 7 S 0.006259 -0.004589 -0.000485 -0.003887 -0.001480 92 C 7 S -0.061171 0.030652 0.038453 -0.025452 0.041602 93 C 7 S -0.466535 0.247524 0.088670 0.077095 0.173305 94 C 7 X 0.010794 -0.014382 0.025170 0.013666 0.002489 95 C 7 Y -0.140245 0.045471 0.002665 -0.034422 0.053084 96 C 7 Z 0.009090 0.033035 0.058699 0.205758 -0.002883 97 C 7 X 0.078752 -0.060296 0.124209 -0.022505 0.189746 98 C 7 Y -0.435681 0.175232 0.149126 -0.168045 0.199006 99 C 7 Z 0.017123 0.068426 0.090036 0.420506 -0.064078 100 C 7 XX -0.000289 -0.002289 -0.008401 0.012587 0.013619 101 C 7 YY 0.006186 0.007182 0.004862 -0.003231 -0.001380 102 C 7 ZZ -0.005897 -0.004893 0.003539 -0.009356 -0.012239 103 C 7 XY -0.009808 0.007173 0.014725 -0.000784 -0.003692 104 C 7 XZ -0.000384 0.006149 0.010816 0.021750 -0.008242 105 C 7 YZ 0.005446 0.002305 0.004366 0.014965 0.000263 106 C 8 S -0.005668 0.008086 0.001766 -0.005014 0.014635 107 C 8 S 0.041695 -0.037364 -0.047101 0.021062 0.052569 108 C 8 S 0.455065 -0.195572 0.017276 0.004843 -0.019651 109 C 8 X -0.107704 0.091071 0.118974 -0.091832 -0.040118 110 C 8 Y 0.024018 -0.007819 -0.051511 0.027502 -0.024836 111 C 8 Z -0.029681 -0.005047 0.010667 0.020088 0.005223 112 C 8 X -0.336620 0.112753 0.295715 -0.166508 0.058881 113 C 8 Y 0.085632 -0.180909 -0.284913 0.170060 0.045273 114 C 8 Z -0.061738 -0.032528 0.007683 0.077631 -0.003368 115 C 8 XX 0.004550 0.003640 0.002069 -0.003402 0.006462 116 C 8 YY 0.004519 0.001210 0.003910 0.001134 0.007205 117 C 8 ZZ -0.009069 -0.004850 -0.005979 0.002268 -0.013667 118 C 8 XY 0.014034 -0.006875 -0.000654 0.009289 -0.003947 119 C 8 XZ 0.003197 -0.000854 -0.001651 -0.001606 0.000438 120 C 8 YZ 0.000101 -0.000993 0.001495 -0.004110 0.003098 121 C 9 S -0.007255 -0.003479 0.006368 0.011913 0.005458 122 C 9 S -0.006434 -0.023255 -0.041792 -0.003551 0.023495 123 C 9 S 0.201448 0.036321 -0.310654 -0.340611 -0.094128 124 C 9 X -0.066557 0.030420 0.039542 -0.020655 0.002608 125 C 9 Y -0.023135 -0.005859 -0.009373 0.037221 0.023439 126 C 9 Z 0.004121 0.003606 -0.020422 0.007317 0.010411 127 C 9 X -0.017878 0.016273 0.027900 -0.092740 -0.005089 128 C 9 Y 0.124251 0.084097 0.038919 -0.064041 -0.180157 129 C 9 Z 0.051143 0.016106 0.032239 0.135338 -0.068539 130 C 9 XX 0.002977 -0.001322 0.004389 -0.011810 -0.008506 131 C 9 YY -0.000481 0.000552 -0.006730 -0.002396 0.006216 132 C 9 ZZ -0.002496 0.000770 0.002342 0.014207 0.002290 133 C 9 XY 0.014904 0.008788 -0.004610 0.005945 -0.012216 134 C 9 XZ 0.003271 -0.003727 -0.007971 -0.012523 0.002598 135 C 9 YZ 0.005953 0.003581 0.002971 0.008225 -0.003117 136 C 10 S 0.001036 0.003458 -0.001336 0.002774 0.006841 137 C 10 S 0.012221 0.005802 -0.002572 -0.003828 0.026061 138 C 10 S 0.015234 -0.021751 0.122670 -0.176469 0.064637 139 C 10 X 0.023840 -0.006574 -0.002927 -0.026716 0.000721 140 C 10 Y -0.016451 0.009830 0.009517 -0.006092 0.005079 141 C 10 Z -0.011496 -0.051424 -0.086003 -0.247375 0.032095 142 C 10 X -0.019098 -0.016445 0.156856 -0.232375 0.148005 143 C 10 Y 0.060568 -0.141900 -0.036486 -0.056854 0.087341 144 C 10 Z -0.013676 -0.088622 -0.171246 -0.456236 0.080628 145 C 10 XX 0.010590 0.003538 0.009382 0.003354 -0.005219 146 C 10 YY -0.006844 0.003549 -0.005989 0.002483 0.012129 147 C 10 ZZ -0.003746 -0.007087 -0.003393 -0.005838 -0.006910 148 C 10 XY -0.003351 0.005607 0.000775 0.001147 0.005021 149 C 10 XZ -0.001855 0.001109 0.003565 0.018780 -0.001276 150 C 10 YZ 0.001164 -0.003533 -0.005663 -0.010754 0.002728 151 C 11 S 0.002734 0.003783 0.007841 0.007551 0.005966 152 C 11 S 0.003239 -0.001817 -0.011023 0.018700 0.051253 153 C 11 S -0.051320 0.155390 -0.432369 -0.018655 0.073529 154 C 11 X 0.005946 -0.005581 -0.004547 -0.010498 0.023381 155 C 11 Y -0.028060 0.006432 -0.010492 0.002540 0.009478 156 C 11 Z 0.010317 0.044104 0.081419 0.221845 -0.034576 157 C 11 X -0.012829 0.393641 -0.254396 0.168744 -0.013500 158 C 11 Y -0.015608 -0.128363 -0.019259 0.040681 0.069836 159 C 11 Z 0.007175 0.094604 0.141729 0.452705 -0.086035 160 C 11 XX -0.007114 0.012644 0.005123 0.005245 0.000170 161 C 11 YY 0.010388 -0.003686 -0.006250 0.000611 0.004914 162 C 11 ZZ -0.003274 -0.008958 0.001128 -0.005856 -0.005084 163 C 11 XY 0.000644 -0.007755 0.007457 -0.003942 -0.004604 164 C 11 XZ -0.001345 -0.005495 -0.009861 -0.023138 0.004787 165 C 11 YZ -0.002111 -0.002753 -0.004004 -0.015484 0.000796 166 C 12 S 0.001022 -0.003810 -0.001274 -0.009148 0.000524 167 C 12 S 0.014253 -0.009403 0.001082 -0.036570 0.002687 168 C 12 S -0.004548 0.079747 0.158387 -0.021943 0.057317 169 C 12 X 0.016014 0.027156 0.038013 0.006816 -0.013006 170 C 12 Y 0.002001 -0.010558 -0.017008 0.010541 0.004489 171 C 12 Z -0.006718 -0.007516 -0.032874 -0.096080 0.009913 172 C 12 X 0.006186 0.046020 0.026717 -0.022789 0.028215 173 C 12 Y 0.058138 -0.100482 -0.147145 0.033298 0.012924 174 C 12 Z 0.001411 -0.052582 -0.074336 -0.131226 -0.040566 175 C 12 XX -0.001913 -0.004349 -0.008920 -0.013746 0.006257 176 C 12 YY -0.000008 0.004857 0.001210 -0.002804 -0.000561 177 C 12 ZZ 0.001921 -0.000507 0.007710 0.016550 -0.005696 178 C 12 XY -0.000740 -0.001771 -0.001400 -0.005371 -0.000649 179 C 12 XZ 0.000696 -0.005434 -0.010556 -0.026161 0.004700 180 C 12 YZ -0.000825 0.000797 0.002985 0.003183 -0.000565 181 C 13 S -0.001560 0.001019 0.006640 0.000168 0.000129 182 C 13 S 0.002102 -0.007983 -0.003813 -0.014901 0.005117 183 C 13 S 0.061225 -0.080261 -0.169751 -0.054253 0.015035 184 C 13 X 0.002071 0.009891 0.005248 0.001539 -0.003772 185 C 13 Y -0.012837 -0.012072 -0.023891 -0.052964 0.014174 186 C 13 Z 0.000036 0.008483 -0.001469 0.004840 -0.002342 187 C 13 X 0.003432 0.003377 -0.022309 -0.007827 -0.017622 188 C 13 Y -0.005377 -0.077705 -0.097995 -0.125400 0.011266 189 C 13 Z 0.017813 0.027674 -0.033998 0.019596 0.042775 190 C 13 XX -0.000414 0.007151 0.002870 0.001751 0.001408 191 C 13 YY 0.001952 -0.007592 -0.005463 -0.003592 0.003433 192 C 13 ZZ -0.001538 0.000441 0.002593 0.001841 -0.004841 193 C 13 XY 0.003122 -0.001441 0.003165 0.008928 -0.001990 194 C 13 XZ -0.000332 0.001560 0.001010 0.003236 -0.002443 195 C 13 YZ 0.000856 -0.004384 -0.004282 -0.008082 0.002774 196 C 14 S -0.000167 -0.002256 0.004555 0.001316 -0.000033 197 C 14 S 0.003315 0.003261 0.020125 0.010829 -0.002082 198 C 14 S 0.004734 0.166206 -0.066122 0.086051 0.001228 199 C 14 X -0.000208 0.027369 0.023177 -0.005557 -0.009649 200 C 14 Y -0.008888 0.020025 -0.001117 0.015085 -0.003482 201 C 14 Z 0.003439 0.039371 0.047527 0.134052 -0.028705 202 C 14 X 0.017813 0.144678 -0.017619 0.073189 0.004541 203 C 14 Y -0.007537 0.065854 -0.013926 0.043565 -0.001198 204 C 14 Z 0.014174 0.048549 0.074542 0.186057 -0.041550 205 C 14 XX 0.005205 -0.004198 -0.000761 0.004217 0.002280 206 C 14 YY -0.001961 0.006748 0.003139 0.007932 -0.003361 207 C 14 ZZ -0.003245 -0.002549 -0.002378 -0.012150 0.001081 208 C 14 XY -0.003047 0.005826 -0.004553 -0.001474 0.002300 209 C 14 XZ 0.002180 0.004069 0.009760 0.024926 -0.002503 210 C 14 YZ -0.001249 0.008674 0.008329 0.022281 -0.004149 211 F 15 S 0.000296 -0.000597 -0.000996 -0.001486 -0.000503 212 F 15 S -0.001805 0.009768 0.013715 0.029131 -0.001489 213 F 15 S -0.008469 0.039643 0.053754 0.108035 0.008219 214 F 15 X -0.004064 0.012935 0.015938 0.051642 0.004017 215 F 15 Y -0.006477 0.007922 0.009869 -0.010792 -0.004341 216 F 15 Z 0.003517 -0.013812 -0.026644 -0.065120 0.011420 217 F 15 X -0.004723 0.007215 0.015683 0.053831 -0.001349 218 F 15 Y -0.010016 0.016988 0.017504 -0.017639 -0.003220 219 F 15 Z 0.006262 -0.022833 -0.032992 -0.070460 0.005207 220 F 15 XX 0.000154 -0.000675 -0.000546 -0.001353 -0.000153 221 F 15 YY 0.000118 0.000323 0.000577 0.001725 -0.000363 222 F 15 ZZ -0.000272 0.000353 -0.000031 -0.000372 0.000516 223 F 15 XY 0.000239 -0.000214 -0.000475 0.000252 0.000271 224 F 15 XZ -0.000165 -0.000594 -0.000382 0.000726 -0.000156 225 F 15 YZ -0.000050 0.000152 0.000044 -0.000579 0.000084 226 F 16 S 0.000510 -0.000268 -0.000494 0.001131 0.001504 227 F 16 S -0.010886 0.013982 0.013523 -0.013569 0.000452 228 F 16 S -0.041412 0.047265 0.050362 -0.062875 -0.021697 229 F 16 X -0.022868 0.010488 0.011653 -0.042214 0.003332 230 F 16 Y -0.004001 -0.000584 0.010410 0.015667 0.000250 231 F 16 Z -0.006469 0.011989 0.018795 0.021415 -0.006891 232 F 16 X -0.022073 0.005036 0.008544 -0.038290 -0.001414 233 F 16 Y 0.006659 -0.009011 0.000135 0.031222 0.008378 234 F 16 Z -0.012141 0.023983 0.031419 0.018069 -0.003656 235 F 16 XX 0.000601 -0.000549 -0.000875 0.000612 -0.000021 236 F 16 YY -0.000133 0.000154 0.000636 0.000432 -0.000011 237 F 16 ZZ -0.000467 0.000395 0.000238 -0.001044 0.000032 238 F 16 XY 0.000823 -0.001543 -0.002171 -0.000615 0.000537 239 F 16 XZ 0.000106 -0.000122 -0.000249 -0.001257 0.000152 240 F 16 YZ 0.000386 -0.000127 -0.000040 0.001193 -0.000158 241 F 17 S -0.000156 0.000821 -0.001128 -0.001305 0.000265 242 F 17 S 0.000087 0.018326 -0.004243 0.026286 -0.006533 243 F 17 S 0.003056 0.044631 0.007420 0.102195 -0.023360 244 F 17 X 0.002930 0.009718 -0.005197 0.037520 -0.003068 245 F 17 Y -0.005944 0.015046 0.036472 0.065832 -0.003608 246 F 17 Z -0.005606 0.007336 -0.008553 0.001403 -0.004834 247 F 17 X 0.000113 0.001188 -0.007940 0.029730 -0.009048 248 F 17 Y -0.002532 0.011277 0.034866 0.075494 -0.007931 249 F 17 Z -0.004124 0.011654 -0.009388 0.006947 -0.002404 250 F 17 XX -0.000041 0.000084 0.000070 -0.000050 -0.000333 251 F 17 YY -0.000113 -0.000838 -0.000246 -0.001669 0.000819 252 F 17 ZZ 0.000154 0.000754 0.000176 0.001719 -0.000486 253 F 17 XY 0.000143 0.000561 -0.001229 -0.001502 -0.000395 254 F 17 XZ 0.000155 0.000350 0.000544 0.000528 -0.000143 255 F 17 YZ 0.000330 -0.000059 -0.000314 0.000232 0.000082 256 F 18 S 0.000668 0.001366 0.000284 0.002443 -0.000148 257 F 18 S -0.001035 -0.001164 -0.017495 -0.030996 0.006964 258 F 18 S -0.011367 -0.020671 -0.058229 -0.128790 0.026215 259 F 18 X -0.002032 -0.009860 -0.030889 -0.050817 0.014957 260 F 18 Y -0.001546 -0.019571 -0.009715 -0.051591 0.015195 261 F 18 Z 0.006546 0.009597 0.023737 0.055603 -0.007302 262 F 18 X -0.004791 -0.022854 -0.029693 -0.058480 0.013802 263 F 18 Y -0.002581 -0.022661 -0.018758 -0.063838 0.011205 264 F 18 Z 0.006609 0.007089 0.026835 0.061171 -0.011610 265 F 18 XX 0.000118 -0.000087 0.000390 0.000540 -0.000287 266 F 18 YY -0.000269 0.000193 0.000203 -0.000064 0.000053 267 F 18 ZZ 0.000151 -0.000106 -0.000593 -0.000476 0.000234 268 F 18 XY -0.000065 0.000579 0.000244 0.001306 -0.000551 269 F 18 XZ -0.000092 -0.000668 -0.000553 -0.000652 0.000225 270 F 18 YZ -0.000057 -0.000463 -0.000252 -0.001342 0.000123 271 C 19 S -0.043071 -0.015054 -0.035833 0.016827 -0.007805 272 C 19 S 0.064871 0.005106 0.040775 -0.005824 0.000089 273 C 19 S 1.222581 0.396474 0.978577 -0.425573 0.132464 274 C 19 X 0.031397 0.037531 0.071553 -0.069092 -0.057960 275 C 19 Y 0.068080 -0.013574 0.001790 -0.001720 0.043769 276 C 19 Z 0.002038 0.002613 0.010162 0.024105 0.002503 277 C 19 X 0.263340 0.059616 0.221447 -0.178719 -0.295644 278 C 19 Y 0.299440 -0.042686 0.067360 -0.001644 0.251988 279 C 19 Z 0.015399 0.001539 0.032112 0.055088 0.033531 280 C 19 XX -0.000897 0.000232 -0.000201 -0.000556 -0.000601 281 C 19 YY -0.006307 0.002223 0.000381 -0.001897 -0.002261 282 C 19 ZZ 0.007204 -0.002455 -0.000180 0.002454 0.002862 283 C 19 XY -0.004254 -0.003087 -0.008946 0.004539 -0.000911 284 C 19 XZ 0.000112 0.000307 -0.001303 0.000077 -0.000816 285 C 19 YZ 0.000009 0.001398 -0.001187 -0.000161 -0.001194 286 H 20 S -0.017162 -0.000407 -0.018558 0.006361 0.025033 287 H 20 S -0.601066 -0.295906 -0.778199 0.485911 0.447040 288 H 20 X 0.006412 0.003456 0.009696 -0.005889 -0.005255 289 H 20 Y -0.002286 -0.000955 -0.002878 0.000457 -0.001439 290 H 20 Z 0.000214 0.000329 0.000401 0.000422 -0.000987 291 H 21 S -0.010552 -0.010248 0.000226 -0.001752 -0.009457 292 H 21 S -0.673714 -0.051521 -0.254734 0.159165 -0.340539 293 H 21 X -0.000994 -0.001628 -0.002341 -0.000279 -0.000351 294 H 21 Y 0.005604 0.000548 0.001287 -0.001718 0.003596 295 H 21 Z -0.008451 -0.001429 -0.003442 0.002176 -0.005046 296 C 22 S 0.005025 -0.047679 0.028721 -0.000481 -0.010130 297 C 22 S -0.011880 0.069819 -0.018630 0.001316 -0.008335 298 C 22 S -0.153929 1.319549 -0.774656 0.051265 0.180550 299 C 22 X -0.030885 0.018554 0.041403 -0.017059 0.095119 300 C 22 Y 0.009094 -0.070884 0.067401 0.012163 0.027265 301 C 22 Z 0.011261 -0.010821 -0.017104 -0.009261 0.026307 302 C 22 X -0.066360 0.147527 0.076376 -0.055361 0.476361 303 C 22 Y 0.094356 -0.380495 0.164939 0.063597 0.171762 304 C 22 Z 0.035830 -0.040071 -0.026029 0.051032 0.079242 305 C 22 XX 0.003785 0.002595 -0.006139 0.000654 -0.004227 306 C 22 YY -0.001163 -0.009051 0.003148 -0.000234 0.000813 307 C 22 ZZ -0.002622 0.006456 0.002991 -0.000421 0.003414 308 C 22 XY -0.002426 0.005635 -0.003740 -0.001155 0.003183 309 C 22 XZ -0.000553 -0.000326 0.000113 -0.000109 0.001373 310 C 22 YZ 0.000188 -0.001231 -0.000478 -0.001392 -0.000284 311 H 23 S -0.002619 -0.019287 0.002928 -0.006166 0.043927 312 H 23 S 0.004582 -0.753679 0.632197 -0.041470 0.648549 313 H 23 X -0.000112 -0.007142 0.005445 -0.000894 0.003872 314 H 23 Y 0.000582 -0.005425 0.006054 -0.000043 0.005954 315 H 23 Z 0.000295 0.000010 -0.000397 -0.000535 0.000735 316 H 24 S 0.001079 -0.005392 0.006007 -0.006234 -0.020019 317 H 24 S 0.112878 -0.619747 0.243684 0.054297 -0.585222 318 H 24 X -0.000597 0.004440 -0.001958 0.000763 0.005030 319 H 24 Y 0.000320 -0.000571 -0.000610 -0.000157 -0.003079 320 H 24 Z -0.001168 0.008847 -0.003673 -0.000602 0.008100 321 H 25 S 0.001164 -0.000694 0.011715 0.010841 -0.028956 322 H 25 S 0.197368 -0.652973 0.097728 0.059407 -0.325255 323 H 25 X -0.000848 0.003686 -0.001869 -0.001983 0.002871 324 H 25 Y 0.001177 -0.000288 -0.001669 0.001384 -0.000782 325 H 25 Z 0.002182 -0.009596 0.002090 0.000639 -0.005866 326 C 26 S -0.011762 -0.022352 -0.003744 -0.011723 -0.031135 327 C 26 S 0.011878 0.011698 -0.004286 0.017441 0.042784 328 C 26 S 0.304848 0.501972 0.078681 0.335987 0.932210 329 C 26 X 0.003361 0.013502 0.004862 0.007295 -0.021723 330 C 26 Y 0.001351 -0.007141 0.021410 0.007421 0.007775 331 C 26 Z -0.022863 -0.011064 0.025819 0.052291 -0.083896 332 C 26 X -0.006016 0.060028 0.022187 0.044677 -0.083747 333 C 26 Y -0.028558 -0.080174 0.055955 -0.057499 0.104307 334 C 26 Z -0.087168 -0.059365 0.102950 0.160335 -0.378613 335 C 26 XX -0.001454 0.001867 -0.000336 -0.002961 0.001749 336 C 26 YY 0.000915 0.002200 0.001445 0.004702 0.005609 337 C 26 ZZ 0.000539 -0.004067 -0.001109 -0.001740 -0.007358 338 C 26 XY -0.000693 0.001167 0.001273 0.009815 -0.001398 339 C 26 XZ -0.005507 0.001807 0.005681 0.002531 0.000991 340 C 26 YZ -0.006625 -0.003583 -0.003842 -0.001657 -0.001293 341 H 27 S -0.024678 -0.004303 0.005636 0.001603 0.006081 342 H 27 S -0.184204 -0.218407 0.092143 -0.141612 -0.460720 343 H 27 X -0.001691 -0.004104 -0.000161 -0.003504 -0.004296 344 H 27 Y -0.000923 -0.002921 -0.001011 -0.006279 -0.004484 345 H 27 Z 0.001338 0.000418 0.001152 0.002231 -0.001671 346 H 28 S 0.006841 0.008100 0.015233 0.025351 -0.014343 347 H 28 S -0.145588 -0.107058 -0.024070 0.099772 -0.746165 348 H 28 X -0.000067 -0.000618 -0.000191 0.003957 -0.002774 349 H 28 Y 0.003456 0.002902 0.001888 -0.001269 0.010180 350 H 28 Z -0.002688 -0.000862 -0.001246 0.001399 -0.005393 351 H 29 S 0.008580 -0.013123 -0.018102 -0.040508 0.001420 352 H 29 S -0.099636 -0.336952 -0.030557 -0.153548 -0.354252 353 H 29 X -0.000714 0.004798 0.002309 0.001227 0.005935 354 H 29 Y -0.000332 -0.002494 0.000302 0.002088 -0.001848 355 H 29 Z -0.002129 -0.000953 0.004174 0.001599 0.000010 356 C 30 S -0.012654 -0.021724 -0.004666 -0.014550 -0.032004 357 C 30 S 0.008280 0.027754 0.000402 0.025228 0.035790 358 C 30 S 0.334863 0.587534 0.122993 0.432198 0.908445 359 C 30 X 0.024243 -0.002992 -0.002973 0.006474 0.002280 360 C 30 Y 0.015125 -0.001139 0.020520 0.004742 -0.027760 361 C 30 Z 0.018874 0.010017 -0.039069 -0.054433 0.102476 362 C 30 X 0.107373 0.021956 0.012859 0.032726 -0.045363 363 C 30 Y 0.086711 -0.006357 0.105958 0.091845 -0.119583 364 C 30 Z 0.060960 0.115388 -0.166208 -0.182321 0.432904 365 C 30 XX 0.001503 0.003072 0.002428 -0.002363 0.000053 366 C 30 YY 0.001482 0.003090 -0.003288 0.002381 0.005731 367 C 30 ZZ -0.002985 -0.006162 0.000860 -0.000017 -0.005783 368 C 30 XY 0.001971 -0.001767 0.000318 -0.009743 -0.000477 369 C 30 XZ 0.000031 0.003697 -0.000384 -0.003200 -0.004965 370 C 30 YZ 0.003797 -0.004622 -0.003230 -0.005247 -0.006032 371 H 31 S -0.013619 0.014657 0.015966 0.026986 -0.007794 372 H 31 S -0.088418 -0.271107 0.260920 0.096583 -0.817290 373 H 31 X -0.000758 0.001270 -0.000349 0.001977 -0.000746 374 H 31 Y -0.001452 -0.004747 0.002996 0.000340 -0.011663 375 H 31 Z -0.000774 0.001943 -0.002292 -0.000596 0.007919 376 H 32 S 0.010162 -0.021246 -0.002847 0.000512 0.008669 377 H 32 S -0.033950 -0.317378 -0.095904 -0.141298 -0.389718 378 H 32 X -0.000624 -0.005599 -0.002399 -0.001727 -0.004540 379 H 32 Y -0.000967 0.003479 0.000898 0.003974 0.003056 380 H 32 Z 0.000400 -0.001262 -0.000220 -0.001423 0.002059 381 H 33 S -0.002776 -0.005704 -0.014419 -0.044989 -0.006895 382 H 33 S -0.323110 -0.257977 -0.124793 -0.240128 -0.368893 383 H 33 X 0.004013 0.003601 0.004613 0.000389 0.005258 384 H 33 Y 0.005288 0.002743 -0.001096 -0.000200 0.002204 385 H 33 Z 0.003247 -0.000536 -0.002999 -0.001979 -0.001539 386 H 34 S 0.004894 -0.002369 -0.001718 0.008215 -0.015632 387 H 34 S -0.571591 -0.055562 -0.317118 -0.073769 -0.365491 388 H 34 X -0.001209 -0.000990 -0.002345 0.001409 -0.000797 389 H 34 Y 0.003658 0.000827 0.000443 0.000442 0.002950 390 H 34 Z 0.008352 0.001552 0.004012 0.000499 0.005805 391 F 35 S 0.000732 0.000187 -0.000711 0.000686 0.001098 392 F 35 S -0.000669 0.007326 0.004857 0.004342 -0.000740 393 F 35 S -0.013105 0.018936 0.026091 0.002662 -0.019831 394 F 35 X -0.004012 0.011206 0.012555 0.005971 -0.004808 395 F 35 Y 0.003108 0.006851 0.016405 0.023836 -0.005520 396 F 35 Z 0.000586 -0.007097 -0.003155 -0.004067 0.001647 397 F 35 X -0.008128 0.012410 0.019312 0.004324 -0.009968 398 F 35 Y 0.002571 0.011857 0.022732 0.031599 -0.005231 399 F 35 Z 0.000925 -0.010925 -0.003098 -0.005897 -0.000751 400 F 35 XX -0.000073 0.000286 0.000166 0.000194 -0.000235 401 F 35 YY 0.000070 -0.000483 -0.000329 -0.000337 0.000247 402 F 35 ZZ 0.000003 0.000197 0.000163 0.000143 -0.000012 403 F 35 XY -0.000252 -0.000192 -0.000492 -0.001116 0.000247 404 F 35 XZ 0.000045 0.000259 0.000013 0.000140 0.000026 405 F 35 YZ 0.000063 -0.000005 0.000011 -0.000037 -0.000050 406 F 36 S -0.000127 -0.000895 -0.000628 -0.000971 -0.000964 407 F 36 S -0.000428 0.007894 0.003101 0.005705 -0.001060 408 F 36 S 0.000758 0.040058 0.019099 0.033540 0.014895 409 F 36 X 0.003144 0.002784 -0.002471 0.002625 0.007743 410 F 36 Y 0.000162 -0.003207 -0.000036 -0.017163 0.001847 411 F 36 Z -0.003169 0.014904 0.010998 0.014693 -0.007068 412 F 36 X 0.001343 -0.003549 -0.001804 -0.000630 0.001818 413 F 36 Y 0.001211 0.000427 0.003625 -0.007928 -0.002037 414 F 36 Z -0.002207 0.024740 0.017449 0.022144 0.000626 415 F 36 XX -0.000207 -0.000108 0.000176 0.000023 -0.000520 416 F 36 YY 0.000118 -0.000325 -0.000044 0.000117 0.000017 417 F 36 ZZ 0.000088 0.000433 -0.000132 -0.000140 0.000502 418 F 36 XY 0.000112 0.000421 0.000700 0.001866 -0.000331 419 F 36 XZ 0.000084 0.000212 0.000147 0.000160 0.000066 420 F 36 YZ -0.000169 -0.000152 -0.000249 -0.000346 0.000128 421 C 37 S -0.006904 -0.005538 0.000334 -0.005618 0.008459 422 C 37 S 0.046985 0.051403 0.020274 -0.047227 -0.011576 423 C 37 S 0.354652 0.251883 -0.073966 -0.018903 -0.180116 424 C 37 X 0.062955 0.052052 0.032518 -0.054789 -0.043274 425 C 37 Y -0.063294 -0.005938 0.027480 -0.009287 0.058671 426 C 37 Z 0.022648 0.011755 -0.013744 -0.026328 0.001846 427 C 37 X 0.474547 0.377095 0.226762 -0.433082 -0.379398 428 C 37 Y -0.047853 -0.097005 -0.288691 0.123171 0.026710 429 C 37 Z 0.064399 0.017787 -0.062320 -0.081190 -0.018008 430 C 37 XX 0.013413 0.002270 -0.005222 0.006815 0.010925 431 C 37 YY -0.008632 -0.000601 0.003037 -0.006836 0.002199 432 C 37 ZZ -0.004781 -0.001669 0.002185 0.000021 -0.013124 433 C 37 XY -0.015866 0.004151 0.003948 -0.000562 0.001303 434 C 37 XZ -0.004666 -0.001477 -0.001049 -0.003719 0.003212 435 C 37 YZ -0.004013 0.001301 0.001799 0.003268 0.004002 436 S 38 S 0.000349 0.002244 -0.000322 0.001233 0.006709 437 S 38 S 0.005882 0.017964 0.001245 0.006612 0.046141 438 S 38 S 0.060402 0.057758 0.060177 -0.027957 0.026813 439 S 38 S 0.156034 0.000611 0.160244 -0.106988 -0.252456 440 S 38 X 0.004998 -0.005453 -0.005922 0.004043 0.003536 441 S 38 Y 0.008024 -0.002941 -0.001360 0.000676 -0.002300 442 S 38 Z 0.000179 0.000917 0.001160 0.003587 0.000044 443 S 38 X -0.082471 0.083816 0.088034 -0.090528 -0.010938 444 S 38 Y -0.085279 0.027579 0.041259 -0.028102 0.040292 445 S 38 Z -0.006350 0.003860 -0.003216 -0.046460 -0.012766 446 S 38 X -0.411156 0.330807 0.383899 -0.314502 -0.076021 447 S 38 Y -0.514443 0.211475 0.193521 -0.112204 0.230067 448 S 38 Z -0.022105 -0.006691 -0.025544 -0.195031 -0.009786 449 S 38 XX 0.069882 -0.043570 -0.053849 0.039148 0.019090 450 S 38 YY -0.068908 0.039507 0.035204 -0.024420 0.026504 451 S 38 ZZ -0.000974 0.004063 0.018645 -0.014728 -0.045594 452 S 38 XY -0.021188 0.008835 -0.018839 -0.011641 0.004035 453 S 38 XZ -0.005926 -0.000406 0.002862 0.009650 0.003899 454 S 38 YZ -0.009718 -0.005393 -0.014542 -0.059180 -0.000729 455 S 38 XX 0.015349 -0.009574 -0.011538 0.008035 0.001434 456 S 38 YY -0.016574 0.008827 0.008013 -0.005174 0.005699 457 S 38 ZZ 0.001226 0.000747 0.003526 -0.002861 -0.007133 458 S 38 XY -0.003968 0.001651 -0.003223 -0.001862 -0.000113 459 S 38 XZ -0.000740 -0.000349 0.000041 0.001519 0.000579 460 S 38 YZ -0.001650 -0.000994 -0.002296 -0.009547 0.000165 461 H 39 S 0.049353 -0.021757 -0.041349 0.044674 0.038188 462 H 39 S -0.624498 -0.639143 -0.358633 0.627903 0.568696 463 H 39 X 0.007179 0.006112 0.000704 -0.002460 -0.000076 464 H 39 Y -0.006793 -0.000179 -0.003920 0.003846 0.005682 465 H 39 Z -0.000940 0.000398 -0.001485 -0.001968 0.000367 111 112 113 114 115 0.2148 0.2160 0.2285 0.2339 0.2470 A A A A A 1 C 1 S -0.008009 -0.010066 -0.009495 -0.007956 -0.002177 2 C 1 S -0.011923 -0.007641 0.031197 0.030658 0.009545 3 C 1 S 0.204041 0.283055 0.625383 0.582752 0.152617 4 C 1 X 0.009310 0.016733 0.051930 0.055974 0.069731 5 C 1 Y -0.041092 0.020980 0.005246 0.037922 0.014004 6 C 1 Z -0.012304 -0.001584 0.006050 -0.004655 -0.004149 7 C 1 X 0.039121 -0.009767 0.031126 0.077929 0.207891 8 C 1 Y -0.019619 0.320477 0.291248 0.298867 -0.005923 9 C 1 Z 0.041407 -0.005289 -0.008639 -0.024937 -0.083875 10 C 1 XX -0.011534 0.011199 0.008313 0.012497 0.008869 11 C 1 YY 0.001809 -0.007519 -0.003487 -0.005163 -0.008199 12 C 1 ZZ 0.009726 -0.003680 -0.004827 -0.007334 -0.000670 13 C 1 XY 0.003292 0.005859 0.007492 0.002469 -0.001773 14 C 1 XZ 0.004013 -0.002855 0.000715 -0.005961 -0.003211 15 C 1 YZ -0.000625 -0.000119 0.001089 -0.004136 -0.005542 16 C 2 S -0.005924 -0.003272 0.004997 0.006939 -0.004220 17 C 2 S 0.018150 0.022725 0.054881 0.056145 0.055139 18 C 2 S 0.181376 -0.004862 -0.028899 -0.013808 0.354682 19 C 2 X -0.094208 -0.016855 -0.077737 -0.039926 -0.036705 20 C 2 Y -0.013769 -0.063379 -0.055437 -0.042922 -0.018992 21 C 2 Z -0.018539 0.003045 0.022292 -0.012866 0.001800 22 C 2 X -0.322958 -0.274321 -0.566156 -0.428156 -0.139958 23 C 2 Y -0.311071 -0.447821 -0.634139 -0.550273 -0.332852 24 C 2 Z -0.027032 0.005667 -0.034905 0.058158 0.017335 25 C 2 XX -0.003494 -0.001580 -0.000355 0.000280 -0.004611 26 C 2 YY -0.002223 -0.004548 -0.002630 -0.003513 0.000177 27 C 2 ZZ 0.005717 0.006128 0.002984 0.003232 0.004434 28 C 2 XY -0.005320 0.005439 -0.002607 0.006890 0.006364 29 C 2 XZ -0.000194 0.001503 0.000302 0.003517 0.000847 30 C 2 YZ 0.002576 -0.002255 0.000975 -0.003234 -0.004388 31 C 3 S 0.001122 0.000375 0.001068 0.001669 -0.008222 32 C 3 S 0.020996 -0.013138 0.016860 0.011402 0.029112 33 C 3 S 0.076089 0.035785 0.102941 0.075068 0.431343 34 C 3 X -0.021849 -0.002425 -0.026405 -0.003540 0.019914 35 C 3 Y 0.009373 0.021765 0.008863 0.026047 0.051472 36 C 3 Z 0.008421 -0.022742 0.039864 -0.055917 -0.006295 37 C 3 X 0.168032 0.180762 0.602161 0.439851 0.414572 38 C 3 Y -0.158835 -0.251781 -0.327681 -0.281613 0.004193 39 C 3 Z -0.012985 -0.051532 0.105505 -0.147703 -0.001527 40 C 3 XX -0.014368 -0.000996 -0.008788 -0.001968 -0.015695 41 C 3 YY 0.015659 -0.004249 0.013029 0.009712 0.015340 42 C 3 ZZ -0.001290 0.005245 -0.004242 -0.007744 0.000354 43 C 3 XY 0.007715 -0.000619 0.013992 0.006052 -0.006477 44 C 3 XZ 0.004891 -0.004443 0.000585 0.002388 -0.004368 45 C 3 YZ 0.004104 -0.000763 -0.001088 0.002739 0.002227 46 C 4 S 0.003542 -0.011990 0.012036 -0.013804 0.002807 47 C 4 S -0.000698 0.053415 -0.005235 0.036706 -0.014202 48 C 4 S -0.114497 0.384094 -0.363031 0.425500 -0.153330 49 C 4 X -0.098699 0.092739 -0.010382 0.063639 0.033791 50 C 4 Y 0.093535 -0.036305 -0.051540 -0.037386 0.047515 51 C 4 Z 0.006587 -0.031564 -0.033709 0.021321 0.014630 52 C 4 X -0.302337 0.230263 0.132991 0.255026 0.134602 53 C 4 Y 0.291414 -0.104894 0.023226 0.097132 0.467856 54 C 4 Z 0.019894 -0.025858 0.090703 0.163683 0.108421 55 C 4 XX 0.008753 0.001832 0.008927 0.009252 0.012835 56 C 4 YY -0.001053 -0.002146 -0.015928 -0.005081 -0.012283 57 C 4 ZZ -0.007701 0.000314 0.007001 -0.004172 -0.000552 58 C 4 XY -0.007162 0.005315 -0.004245 -0.000686 0.003841 59 C 4 XZ -0.005635 0.003230 -0.006017 0.001502 0.006843 60 C 4 YZ 0.002809 0.002833 -0.001802 -0.001093 -0.002651 61 S 5 S -0.003923 0.006418 0.003879 0.008401 -0.001159 62 S 5 S -0.024048 0.039093 0.024547 0.054627 -0.008735 63 S 5 S 0.033670 -0.049928 -0.013109 -0.006731 -0.020486 64 S 5 S 0.303466 -0.534095 -0.295120 -0.517851 0.020230 65 S 5 X 0.002398 -0.007099 -0.004407 -0.006069 0.002951 66 S 5 Y 0.000343 0.002379 -0.001026 -0.001893 -0.002048 67 S 5 Z -0.001897 0.001895 0.001183 0.000181 0.001426 68 S 5 X -0.086804 0.036151 -0.022579 0.022341 0.014266 69 S 5 Y 0.067306 -0.088925 0.009412 -0.013183 0.035910 70 S 5 Z -0.006559 -0.009236 0.062538 -0.047024 0.008484 71 S 5 X -0.324402 0.406314 0.138093 0.331476 -0.107273 72 S 5 Y 0.220321 -0.176374 0.185530 0.097816 0.187859 73 S 5 Z 0.062042 -0.090882 0.101759 -0.135929 0.010224 74 S 5 XX -0.018968 -0.002328 -0.017933 -0.007290 -0.035808 75 S 5 YY -0.000987 0.011971 0.031726 0.042444 0.037041 76 S 5 ZZ 0.019954 -0.009643 -0.013793 -0.035154 -0.001233 77 S 5 XY 0.017078 -0.020670 0.006842 -0.002653 0.001934 78 S 5 XZ 0.013328 -0.010714 0.005794 -0.017710 0.001772 79 S 5 YZ -0.009853 0.009602 -0.013301 0.035223 0.026926 80 S 5 XX -0.004399 0.001538 -0.002365 -0.000342 -0.007265 81 S 5 YY 0.000715 0.002403 0.006279 0.007852 0.006971 82 S 5 ZZ 0.003683 -0.003941 -0.003914 -0.007510 0.000293 83 S 5 XY 0.004566 -0.003401 0.003846 0.000718 0.001983 84 S 5 XZ 0.002940 -0.002848 0.001142 -0.003750 0.000855 85 S 5 YZ -0.002309 0.002081 -0.001937 0.005928 0.004110 86 H 6 S -0.030763 -0.003509 -0.007814 -0.003957 0.004190 87 H 6 S -0.667381 -0.577689 -1.002563 -0.795201 -0.578778 88 H 6 X -0.003193 -0.004347 -0.002710 -0.004583 0.001339 89 H 6 Y -0.001363 -0.000374 -0.003288 -0.003685 -0.005563 90 H 6 Z -0.002161 0.000593 0.002219 -0.001335 0.000438 91 C 7 S -0.005529 -0.003680 -0.000976 0.004110 -0.003989 92 C 7 S 0.027600 0.027451 0.011438 -0.016435 0.026268 93 C 7 S 0.281303 0.315522 0.222962 -0.012833 0.095660 94 C 7 X -0.055589 0.015894 0.000651 0.023742 0.010756 95 C 7 Y 0.111411 0.060673 -0.030727 -0.122183 0.079244 96 C 7 Z -0.025642 0.028754 0.033150 -0.002577 -0.001852 97 C 7 X -0.018360 0.046784 -0.020578 0.198010 -0.115341 98 C 7 Y 0.344631 0.131067 -0.104765 -0.463632 0.391889 99 C 7 Z -0.097075 0.065038 0.128109 -0.029044 0.111296 100 C 7 XX 0.007987 0.004282 0.000929 -0.000848 0.003105 101 C 7 YY -0.000235 -0.014039 0.003829 0.006202 -0.009230 102 C 7 ZZ -0.007751 0.009757 -0.004758 -0.005354 0.006125 103 C 7 XY -0.009633 0.015893 0.010542 0.010880 -0.013632 104 C 7 XZ -0.001218 0.001469 -0.005244 0.003595 -0.000224 105 C 7 YZ -0.004916 0.001649 0.003509 -0.000014 0.006724 106 C 8 S 0.015027 0.010936 0.003795 -0.003363 -0.016428 107 C 8 S 0.018620 -0.021838 -0.006844 -0.006059 0.025184 108 C 8 S -0.234957 -0.511884 -0.138825 0.011243 0.680748 109 C 8 X -0.019587 0.026085 0.041870 0.049191 -0.071119 110 C 8 Y -0.007830 -0.057170 -0.037092 -0.020755 0.030975 111 C 8 Z 0.011442 -0.009564 -0.020690 0.008179 -0.016785 112 C 8 X 0.021802 0.216248 0.176909 0.142831 -0.303080 113 C 8 Y -0.015602 0.011615 -0.014598 -0.021205 -0.075995 114 C 8 Z 0.064687 0.021221 -0.126296 0.124573 -0.222552 115 C 8 XX 0.001840 -0.002386 -0.000107 0.005180 -0.003994 116 C 8 YY 0.008226 0.004350 -0.000556 -0.011559 0.006771 117 C 8 ZZ -0.010066 -0.001964 0.000663 0.006380 -0.002777 118 C 8 XY -0.012366 0.002929 0.010766 0.016602 -0.013350 119 C 8 XZ -0.002455 0.001348 0.004150 -0.001440 0.006918 120 C 8 YZ 0.004139 -0.000724 -0.004995 0.002274 0.003646 121 C 9 S 0.005585 0.002904 -0.004163 0.014538 -0.005235 122 C 9 S -0.007354 -0.012198 -0.000373 -0.006820 -0.021868 123 C 9 S -0.126361 -0.229089 -0.030248 -0.506856 0.079194 124 C 9 X -0.006449 0.030597 0.020254 0.031473 -0.061873 125 C 9 Y 0.040568 0.008368 -0.028712 0.026489 0.014885 126 C 9 Z 0.020796 -0.030821 -0.029539 0.003655 -0.008658 127 C 9 X 0.063033 0.028393 -0.010292 0.077577 -0.305284 128 C 9 Y 0.040670 -0.193744 -0.287651 -0.115846 0.219633 129 C 9 Z -0.042663 -0.115400 -0.159496 -0.195232 -0.173580 130 C 9 XX -0.010886 -0.008511 0.000090 0.007191 0.004034 131 C 9 YY 0.001045 0.007566 0.007324 -0.004539 0.000362 132 C 9 ZZ 0.009841 0.000946 -0.007414 -0.002653 -0.004396 133 C 9 XY 0.007457 -0.015288 -0.004441 -0.001006 -0.005484 134 C 9 XZ 0.000488 0.000552 0.002536 -0.003363 0.000789 135 C 9 YZ -0.006648 -0.001953 0.004123 -0.003254 0.002781 136 C 10 S 0.005833 -0.010216 0.008525 0.008839 -0.010731 137 C 10 S 0.004146 -0.014326 0.021085 0.027352 -0.084271 138 C 10 S -0.060388 0.117313 -0.129800 -0.099128 -0.087251 139 C 10 X -0.019365 -0.013938 0.023708 0.041955 -0.050375 140 C 10 Y 0.014037 0.013602 0.003028 -0.000979 0.039480 141 C 10 Z 0.027972 -0.040238 0.014695 -0.064028 -0.017387 142 C 10 X 0.095287 -0.152311 -0.072209 -0.124963 -0.055962 143 C 10 Y 0.004730 0.028958 -0.166328 0.049303 0.055487 144 C 10 Z 0.075155 -0.084159 0.009489 -0.079334 -0.089500 145 C 10 XX -0.007588 -0.008838 0.005811 0.017769 -0.013459 146 C 10 YY 0.013875 -0.002280 -0.000003 -0.016496 0.012949 147 C 10 ZZ -0.006287 0.011118 -0.005808 -0.001273 0.000510 148 C 10 XY 0.009812 0.002569 0.005115 -0.000638 0.001799 149 C 10 XZ -0.001288 0.006780 -0.006935 -0.002561 0.010218 150 C 10 YZ 0.000489 -0.000879 0.004036 0.000766 -0.000297 151 C 11 S 0.004443 -0.010813 0.005102 0.002956 -0.007648 152 C 11 S 0.008818 -0.013344 -0.005769 -0.021628 0.005324 153 C 11 S 0.045379 0.292753 0.166037 0.168336 0.283155 154 C 11 X -0.015806 -0.001500 0.000777 0.014850 -0.001491 155 C 11 Y 0.047216 -0.010610 -0.006137 -0.042959 0.072516 156 C 11 Z -0.047793 0.030452 -0.005383 -0.016646 0.023910 157 C 11 X 0.142181 0.132235 0.514840 0.439681 0.085228 158 C 11 Y 0.089820 -0.045754 -0.149935 -0.052118 0.065551 159 C 11 Z -0.057419 0.076214 -0.012135 0.029113 0.067537 160 C 11 XX 0.011163 -0.002359 0.011928 0.007745 0.022499 161 C 11 YY -0.003574 -0.005565 -0.001283 0.004915 -0.025010 162 C 11 ZZ -0.007589 0.007924 -0.010646 -0.012661 0.002511 163 C 11 XY -0.011302 -0.003757 -0.010210 -0.000062 -0.006225 164 C 11 XZ 0.004753 -0.002239 -0.001345 -0.004595 0.006536 165 C 11 YZ 0.002759 -0.002344 -0.003312 -0.002209 -0.000351 166 C 12 S -0.001972 -0.000420 -0.000483 -0.000694 0.000629 167 C 12 S -0.020284 -0.020487 -0.001100 0.007299 -0.024929 168 C 12 S 0.003660 -0.146914 0.006014 -0.002246 -0.234268 169 C 12 X -0.008673 -0.030656 0.045125 0.060862 -0.029230 170 C 12 Y -0.001051 0.001169 -0.023870 -0.028536 0.063350 171 C 12 Z 0.030081 -0.021078 0.036814 0.008781 -0.043261 172 C 12 X 0.054879 -0.096447 0.114321 0.044114 0.041514 173 C 12 Y -0.023917 -0.038667 -0.068597 -0.116742 0.244241 174 C 12 Z -0.018627 0.039955 -0.008683 0.042855 0.087779 175 C 12 XX 0.003158 -0.001920 -0.003914 -0.011820 0.001356 176 C 12 YY 0.005905 -0.004378 0.013744 0.009565 -0.012172 177 C 12 ZZ -0.009064 0.006298 -0.009831 0.002255 0.010817 178 C 12 XY -0.002190 -0.000700 -0.002432 -0.003257 0.002233 179 C 12 XZ 0.003676 -0.008034 0.004997 -0.006960 -0.006262 180 C 12 YZ -0.002517 0.002663 -0.004989 -0.002142 0.008013 181 C 13 S 0.000303 -0.001477 0.001135 0.001820 -0.007401 182 C 13 S -0.008710 -0.001273 -0.007294 -0.009908 -0.021997 183 C 13 S -0.064896 0.008856 -0.076712 -0.069476 0.061539 184 C 13 X 0.011456 -0.002938 0.026657 0.028425 0.027202 185 C 13 Y 0.028566 -0.012022 -0.001718 -0.028837 0.067952 186 C 13 Z 0.012182 -0.002179 0.031562 0.041629 -0.050945 187 C 13 X 0.008109 0.030564 0.025172 0.047549 0.091991 188 C 13 Y 0.040755 -0.017465 -0.006383 -0.083069 0.287025 189 C 13 Z 0.067534 -0.064513 0.089508 0.055496 -0.072673 190 C 13 XX 0.008030 -0.003911 0.007761 0.006357 0.014456 191 C 13 YY -0.007719 0.002019 -0.015084 -0.013302 -0.000484 192 C 13 ZZ -0.000311 0.001892 0.007323 0.006945 -0.013972 193 C 13 XY -0.005065 0.000864 -0.000245 0.004203 -0.003382 194 C 13 XZ -0.000127 0.000871 0.003975 0.002772 -0.006379 195 C 13 YZ -0.000016 -0.002439 -0.002305 -0.003806 0.000248 196 C 14 S -0.002728 -0.000826 -0.004800 -0.001077 0.000849 197 C 14 S -0.009535 -0.015703 -0.012139 0.005698 0.004612 198 C 14 S 0.098424 -0.035665 0.212763 0.182617 0.089235 199 C 14 X 0.019417 -0.028357 0.039755 0.051708 0.014197 200 C 14 Y 0.040176 -0.002163 0.028469 0.012487 0.089006 201 C 14 Z -0.007715 0.017044 0.033351 0.052902 -0.033766 202 C 14 X 0.094681 -0.034160 0.183071 0.194330 -0.053537 203 C 14 Y 0.114727 -0.011780 0.161006 0.088610 0.223453 204 C 14 Z -0.034348 0.036834 0.002129 0.125042 -0.061988 205 C 14 XX -0.008453 0.000882 -0.007064 -0.001753 -0.017854 206 C 14 YY 0.006974 -0.000108 0.011441 0.006752 0.006431 207 C 14 ZZ 0.001479 -0.000774 -0.004377 -0.005000 0.011423 208 C 14 XY 0.009291 0.001052 0.003769 -0.003377 0.015067 209 C 14 XZ -0.007456 0.001662 0.000022 -0.002245 -0.004237 210 C 14 YZ 0.000284 0.002460 0.007864 0.005413 -0.006094 211 F 15 S -0.000753 0.000515 -0.000979 0.000930 0.002058 212 F 15 S -0.000765 0.005347 0.000254 0.000834 0.008407 213 F 15 S 0.013548 0.003406 0.020251 -0.012313 -0.008388 214 F 15 X 0.001787 0.006391 -0.004939 -0.011245 -0.001482 215 F 15 Y 0.004177 0.003909 0.012710 0.019550 -0.035181 216 F 15 Z 0.006941 -0.021130 0.009517 -0.007783 -0.029447 217 F 15 X -0.004184 0.016079 -0.017164 -0.013986 0.001987 218 F 15 Y 0.008872 0.003934 0.022235 0.028377 -0.049363 219 F 15 Z -0.002897 -0.014497 -0.008737 -0.002555 -0.015428 220 F 15 XX -0.000416 0.000145 -0.000704 -0.000163 0.000748 221 F 15 YY -0.000136 0.000205 0.000114 0.000764 0.000190 222 F 15 ZZ 0.000552 -0.000350 0.000590 -0.000602 -0.000938 223 F 15 XY 0.000002 -0.000285 -0.000168 -0.000412 0.000672 224 F 15 XZ -0.000383 0.001056 -0.001583 -0.000750 0.001317 225 F 15 YZ 0.000239 -0.000228 0.000727 0.000418 -0.001553 226 F 16 S 0.000544 -0.001796 0.000116 -0.002166 0.000126 227 F 16 S 0.010597 0.003401 0.020549 0.014094 -0.026169 228 F 16 S 0.024812 0.040911 0.065029 0.080949 -0.085214 229 F 16 X 0.008806 0.015634 0.008266 -0.002966 -0.027377 230 F 16 Y -0.016951 0.008497 -0.030472 -0.025376 0.021663 231 F 16 Z 0.000157 0.009404 0.005934 0.008944 -0.012441 232 F 16 X 0.005292 0.020450 -0.000566 -0.004602 -0.027685 233 F 16 Y -0.016803 -0.006138 -0.036213 -0.037547 0.027501 234 F 16 Z 0.008292 0.010232 0.019757 0.018478 -0.031119 235 F 16 XX 0.000065 -0.000676 -0.000256 -0.000250 0.000731 236 F 16 YY -0.000549 0.000653 -0.000518 -0.000066 -0.000043 237 F 16 ZZ 0.000484 0.000023 0.000774 0.000316 -0.000688 238 F 16 XY 0.000179 -0.000662 -0.000740 -0.001348 0.000689 239 F 16 XZ 0.000020 -0.000438 0.000356 0.000108 0.000263 240 F 16 YZ -0.000246 -0.000138 -0.000078 -0.000092 0.000547 241 F 17 S 0.000065 -0.000116 0.000806 -0.001469 -0.000756 242 F 17 S 0.018761 0.008387 0.027945 0.020593 0.028230 243 F 17 S 0.056546 0.027060 0.077593 0.089345 0.102701 244 F 17 X 0.004782 0.014988 0.005011 0.000174 0.025804 245 F 17 Y 0.000958 0.000176 0.011092 0.017544 -0.005207 246 F 17 Z 0.021809 0.007750 0.020394 0.004474 0.042315 247 F 17 X 0.000155 0.022918 -0.005596 -0.007311 0.027916 248 F 17 Y 0.003460 0.006000 0.010464 0.030123 0.007517 249 F 17 Z 0.034796 0.006030 0.035495 0.016779 0.062740 250 F 17 XX -0.000329 0.000135 -0.000072 0.000008 -0.001861 251 F 17 YY 0.000150 -0.000600 -0.000887 -0.001096 0.001900 252 F 17 ZZ 0.000179 0.000465 0.000959 0.001088 -0.000039 253 F 17 XY 0.001303 0.000056 0.001598 0.001405 0.001551 254 F 17 XZ -0.000188 -0.000316 0.000235 0.000762 -0.000617 255 F 17 YZ 0.000107 0.000044 0.000026 0.000562 0.000262 256 F 18 S -0.000325 0.000266 -0.000570 0.002678 -0.000571 257 F 18 S 0.014723 -0.002791 0.007530 -0.002048 0.023893 258 F 18 S 0.053863 -0.015747 0.036052 -0.045616 0.083987 259 F 18 X 0.016651 -0.003379 0.002723 -0.014191 0.014308 260 F 18 Y -0.006415 -0.011835 -0.019643 -0.028400 -0.008650 261 F 18 Z -0.022353 0.001480 -0.005164 0.008201 -0.044203 262 F 18 X 0.009961 -0.000631 -0.009628 -0.029691 0.017273 263 F 18 Y -0.009575 -0.004337 -0.022786 -0.033881 -0.011574 264 F 18 Z -0.033542 0.005755 -0.022900 0.011403 -0.056940 265 F 18 XX -0.000684 0.000129 -0.000549 -0.000126 -0.000563 266 F 18 YY 0.000570 -0.000175 0.000325 0.000464 0.000673 267 F 18 ZZ 0.000114 0.000046 0.000225 -0.000338 -0.000110 268 F 18 XY 0.000361 0.000456 0.000586 0.000567 0.001548 269 F 18 XZ -0.000238 0.000425 -0.001126 -0.001085 0.000278 270 F 18 YZ -0.000325 -0.000030 -0.000736 -0.000344 -0.000410 271 C 19 S -0.016263 -0.046038 -0.003495 0.013738 -0.000964 272 C 19 S -0.002453 0.046394 0.015844 0.009686 -0.020338 273 C 19 S 0.346935 1.175093 0.117519 -0.287067 -0.008798 274 C 19 X -0.054397 -0.029597 0.020358 0.075783 0.043871 275 C 19 Y 0.056116 0.080344 -0.031720 -0.088116 -0.002856 276 C 19 Z -0.003667 0.008426 0.018731 -0.040266 0.179387 277 C 19 X -0.372391 -0.217701 0.121844 0.486981 0.105724 278 C 19 Y 0.273305 0.338003 -0.112420 -0.355839 -0.070222 279 C 19 Z -0.015279 0.030417 0.100640 -0.167007 0.822079 280 C 19 XX 0.001812 -0.002665 -0.001919 -0.005311 0.014055 281 C 19 YY -0.002234 -0.002472 -0.000017 0.005498 -0.008385 282 C 19 ZZ 0.000422 0.005137 0.001936 -0.000187 -0.005670 283 C 19 XY -0.000410 -0.008492 -0.003786 -0.000988 0.004008 284 C 19 XZ -0.000301 -0.000839 -0.000531 0.000029 -0.002079 285 C 19 YZ -0.002217 -0.000708 0.003722 -0.002433 0.010542 286 H 20 S 0.043430 0.011871 -0.020159 -0.067780 0.038375 287 H 20 S 0.481971 -0.114171 -0.328836 -0.764582 -0.099794 288 H 20 X -0.005195 0.001249 0.003620 0.006850 0.004175 289 H 20 Y -0.000469 -0.004178 -0.002036 -0.002620 0.005619 290 H 20 Z -0.000591 -0.000432 -0.000062 -0.000341 0.001079 291 H 21 S -0.017137 -0.011280 0.001229 0.048575 -0.011374 292 H 21 S -0.488852 -0.785216 0.186257 0.399063 1.066999 293 H 21 X -0.000709 -0.002829 -0.001341 0.001881 0.000457 294 H 21 Y 0.005634 0.005590 -0.004228 -0.001843 -0.011058 295 H 21 Z -0.005803 -0.006712 0.001549 0.004019 0.009248 296 C 22 S 0.037452 -0.024989 0.027507 0.005905 0.012739 297 C 22 S -0.023867 -0.000833 -0.038759 -0.024834 -0.010066 298 C 22 S -0.929798 0.645986 -0.693729 -0.174561 -0.352720 299 C 22 X -0.106790 0.002498 -0.055956 0.004209 0.059529 300 C 22 Y 0.002170 -0.074097 -0.009469 -0.028322 0.021243 301 C 22 Z -0.029426 0.007139 0.027407 0.043655 0.077823 302 C 22 X -0.511330 -0.017795 -0.237640 0.035230 0.287513 303 C 22 Y -0.094745 -0.139447 -0.048153 -0.049588 0.040817 304 C 22 Z -0.138927 0.054425 0.106097 0.202714 0.363807 305 C 22 XX -0.000445 0.000557 -0.002701 -0.003507 -0.004422 306 C 22 YY 0.003784 0.004952 0.008705 0.007441 0.004130 307 C 22 ZZ -0.003339 -0.005510 -0.006004 -0.003934 0.000292 308 C 22 XY -0.003829 0.007087 -0.000327 0.005109 0.000607 309 C 22 XZ -0.002842 0.001467 0.002719 0.001831 0.004498 310 C 22 YZ 0.000937 -0.000445 0.001802 -0.000935 -0.000473 311 H 23 S -0.035931 0.029723 0.006497 0.033549 0.027551 312 H 23 S -0.263787 -0.358874 0.060712 0.145767 0.566648 313 H 23 X 0.000266 -0.001514 0.002961 0.003426 0.005697 314 H 23 Y -0.003029 -0.006322 -0.001869 -0.002048 0.003240 315 H 23 Z -0.000133 -0.000402 -0.000340 0.000157 -0.000038 316 H 24 S 0.022360 -0.023981 0.000347 -0.026958 -0.024888 317 H 24 S 0.956823 -0.283587 0.350205 -0.196912 -0.577069 318 H 24 X -0.008778 0.003193 -0.001464 0.001631 0.004120 319 H 24 Y 0.002842 -0.000481 -0.000127 -0.001920 -0.002585 320 H 24 Z -0.010152 0.002178 -0.002146 0.002269 0.005271 321 H 25 S 0.025715 -0.024301 -0.010151 -0.017591 -0.004926 322 H 25 S 0.583580 -0.148061 0.633038 0.310609 0.343031 323 H 25 X -0.003767 0.001195 -0.004663 -0.002188 -0.003576 324 H 25 Y -0.001181 0.001649 -0.000180 0.001452 0.000638 325 H 25 Z 0.006610 -0.000605 0.005709 0.002398 0.003236 326 C 26 S -0.032967 0.023832 0.034075 -0.035564 -0.002093 327 C 26 S 0.037831 -0.015364 -0.024593 0.036321 -0.003633 328 C 26 S 0.908702 -0.617661 -0.901574 0.984922 -0.077964 329 C 26 X -0.027321 -0.010864 -0.043205 -0.018582 -0.000221 330 C 26 Y 0.040720 0.032377 -0.041790 -0.000035 -0.015634 331 C 26 Z -0.053911 0.041175 0.049008 -0.091513 0.003701 332 C 26 X -0.110515 -0.099509 -0.192877 -0.085117 0.019029 333 C 26 Y 0.157538 0.201445 -0.164076 0.030965 -0.106429 334 C 26 Z -0.235810 0.086824 0.104942 -0.321322 0.007283 335 C 26 XX 0.001922 -0.004728 -0.001581 0.005852 0.002503 336 C 26 YY 0.008888 0.003008 -0.003275 0.003860 -0.000981 337 C 26 ZZ -0.010809 0.001720 0.004857 -0.009712 -0.001522 338 C 26 XY -0.000378 0.001201 0.004313 0.007123 -0.002045 339 C 26 XZ -0.000514 0.003306 0.003649 0.003616 -0.003588 340 C 26 YZ -0.001331 0.001297 0.000621 0.001013 0.000878 341 H 27 S 0.002808 0.010765 0.001269 0.024573 -0.012664 342 H 27 S -0.354657 0.349599 -0.062524 -0.572322 -0.075597 343 H 27 X -0.003357 0.003886 -0.001660 -0.008492 -0.000280 344 H 27 Y -0.003649 0.000972 -0.000892 -0.006431 0.000355 345 H 27 Z -0.000420 0.000953 -0.001454 -0.002103 0.000148 346 H 28 S -0.008679 -0.003376 0.019684 -0.022270 -0.006790 347 H 28 S -0.809739 0.012636 0.655285 -0.661137 0.129896 348 H 28 X -0.002456 0.000500 0.002100 -0.000556 0.000959 349 H 28 Y 0.010986 0.000997 -0.007822 0.006594 -0.001356 350 H 28 Z -0.003640 -0.000503 0.002911 -0.002686 0.001217 351 H 29 S -0.005390 0.004294 -0.000178 -0.003965 0.018611 352 H 29 S -0.208677 0.469883 0.525953 -0.415169 -0.010687 353 H 29 X 0.003650 -0.005978 -0.005226 0.005660 -0.000261 354 H 29 Y -0.002695 0.003845 0.004650 0.000941 -0.000751 355 H 29 Z 0.001441 0.003246 0.003512 -0.000196 -0.001284 356 C 30 S 0.004374 0.028624 -0.046218 0.038685 0.013496 357 C 30 S -0.011696 -0.030398 0.050333 -0.017909 -0.015877 358 C 30 S -0.165448 -0.809180 1.264154 -0.977329 -0.426400 359 C 30 X -0.037683 0.016331 -0.041616 -0.017879 0.066184 360 C 30 Y 0.074310 -0.040890 -0.047939 -0.063605 -0.027672 361 C 30 Z -0.007890 -0.042253 0.089737 -0.014994 -0.011384 362 C 30 X -0.109057 0.040620 -0.152701 -0.104951 0.300447 363 C 30 Y 0.283570 -0.169875 -0.206302 -0.251992 -0.190807 364 C 30 Z -0.060031 -0.129488 0.319511 0.082861 0.020749 365 C 30 XX 0.004424 -0.006425 0.005761 -0.003773 0.001568 366 C 30 YY -0.007538 -0.000457 0.006489 -0.002533 -0.001046 367 C 30 ZZ 0.003115 0.006882 -0.012250 0.006305 -0.000522 368 C 30 XY -0.001448 -0.001102 -0.001485 -0.005246 0.002515 369 C 30 XZ 0.004754 -0.005852 -0.000104 -0.005311 -0.003737 370 C 30 YZ 0.000834 0.000909 -0.002340 0.001789 -0.001232 371 H 31 S 0.013664 -0.005013 -0.020952 -0.003998 -0.000479 372 H 31 S 0.586528 0.159923 -1.010658 -0.002755 -0.045758 373 H 31 X 0.000983 -0.000849 0.000628 0.000039 -0.001017 374 H 31 Y 0.008678 0.002106 -0.010729 0.002823 0.001204 375 H 31 Z -0.003661 0.001214 0.005425 0.002300 0.002501 376 H 32 S -0.018384 0.022971 0.009139 0.023187 0.022992 377 H 32 S -0.379487 0.623361 -0.662795 0.449904 0.669600 378 H 32 X -0.005393 0.007723 -0.006746 0.005653 0.004662 379 H 32 Y 0.002268 -0.002893 0.004281 -0.002280 -0.003911 380 H 32 Z 0.001363 -0.001140 0.001418 0.001382 -0.002189 381 H 33 S 0.005625 -0.003835 0.003074 -0.009268 -0.014218 382 H 33 S 0.009107 0.379951 -0.249970 0.648598 -0.157184 383 H 33 X 0.000771 -0.004362 0.005184 -0.006882 0.003288 384 H 33 Y -0.001195 -0.002392 0.003401 -0.006878 0.001193 385 H 33 Z 0.002915 -0.002106 -0.002000 -0.003416 -0.002230 386 H 34 S -0.033293 -0.010851 0.024250 0.028987 -0.044527 387 H 34 S -0.433576 -0.794694 -0.028961 0.740328 -0.956825 388 H 34 X -0.001756 -0.003091 -0.000095 0.001414 -0.001323 389 H 34 Y 0.002467 0.004531 0.001349 -0.005803 0.006770 390 H 34 Z 0.006143 0.008052 0.000190 -0.007600 0.008895 391 F 35 S 0.000508 -0.001612 0.000340 -0.000236 -0.001656 392 F 35 S 0.008679 -0.003447 0.012466 0.010571 0.014387 393 F 35 S 0.018388 0.015757 0.032843 0.038610 0.072774 394 F 35 X 0.012833 -0.002361 0.014686 0.011942 0.040310 395 F 35 Y -0.012076 0.003977 0.000941 0.011536 -0.029044 396 F 35 Z -0.009450 0.002370 -0.016524 -0.020676 0.002552 397 F 35 X 0.013487 0.002625 0.018986 0.016106 0.047218 398 F 35 Y -0.012198 0.003549 0.001985 0.014912 -0.041209 399 F 35 Z -0.017126 0.005056 -0.026233 -0.027361 0.002221 400 F 35 XX 0.000115 0.000158 0.000811 0.000887 -0.001177 401 F 35 YY -0.000282 -0.000072 -0.000967 -0.001054 0.000574 402 F 35 ZZ 0.000167 -0.000086 0.000156 0.000167 0.000604 403 F 35 XY 0.000645 -0.000213 0.000052 -0.000483 0.001234 404 F 35 XZ 0.000366 -0.000169 0.000624 0.000895 -0.000328 405 F 35 YZ -0.000204 0.000086 -0.000056 0.000139 -0.000705 406 F 36 S -0.001368 0.001724 -0.001646 -0.000655 0.001905 407 F 36 S 0.008029 -0.001132 0.014100 0.021105 -0.010911 408 F 36 S 0.050286 -0.034028 0.073480 0.077064 -0.068076 409 F 36 X 0.002979 -0.006836 -0.001621 0.005477 -0.020515 410 F 36 Y -0.005478 -0.000765 -0.003176 -0.002052 -0.022894 411 F 36 Z 0.012761 -0.001454 0.029986 0.035238 -0.029915 412 F 36 X -0.006319 -0.001698 -0.009623 -0.006595 -0.023019 413 F 36 Y -0.009877 0.003514 -0.003939 0.002224 -0.032607 414 F 36 Z 0.025716 -0.011176 0.041848 0.054471 -0.038976 415 F 36 XX -0.000104 0.000419 0.000263 0.000084 0.000181 416 F 36 YY -0.000502 0.000000 -0.000577 -0.000452 -0.000711 417 F 36 ZZ 0.000606 -0.000419 0.000315 0.000368 0.000530 418 F 36 XY -0.000423 0.000318 -0.000007 0.000490 -0.000549 419 F 36 XZ 0.000253 -0.000126 0.000376 0.000543 0.000743 420 F 36 YZ 0.000358 -0.000113 -0.000087 -0.000439 0.001123 421 C 37 S 0.005274 0.010028 0.004515 0.000629 -0.006792 422 C 37 S 0.023530 -0.033355 -0.013495 -0.041989 0.020679 423 C 37 S -0.008797 -0.319402 -0.149092 -0.139615 0.243878 424 C 37 X -0.026691 -0.078084 -0.061037 -0.018385 0.058409 425 C 37 Y 0.051724 0.076305 -0.017064 -0.026330 -0.006858 426 C 37 Z -0.035955 0.004433 0.077132 -0.077449 -0.003023 427 C 37 X -0.107845 -0.620121 -0.408159 -0.279247 0.502073 428 C 37 Y 0.140921 0.213950 -0.111240 -0.120429 -0.283355 429 C 37 Z -0.077444 0.008166 0.131033 -0.175351 0.073939 430 C 37 XX 0.007523 -0.003813 -0.003395 -0.005838 0.008129 431 C 37 YY -0.004691 0.005263 0.008453 0.009043 -0.009086 432 C 37 ZZ -0.002833 -0.001450 -0.005058 -0.003205 0.000956 433 C 37 XY -0.000931 -0.001738 0.000935 0.004533 -0.006299 434 C 37 XZ 0.000166 0.002465 0.001644 0.003223 0.000040 435 C 37 YZ -0.001154 0.001267 0.004424 0.000418 -0.002696 436 S 38 S 0.007123 -0.001592 -0.001558 -0.004795 0.005134 437 S 38 S 0.048798 -0.011801 -0.009364 -0.028723 0.028846 438 S 38 S 0.029300 -0.026317 0.012697 0.044939 -0.070750 439 S 38 S -0.314975 0.042155 0.164868 0.462138 -0.618707 440 S 38 X -0.000751 -0.000700 -0.001329 -0.001050 0.002524 441 S 38 Y -0.002523 -0.000631 -0.002353 0.003018 -0.001952 442 S 38 Z -0.001085 -0.000369 0.004095 -0.003292 0.001459 443 S 38 X 0.017675 0.042111 0.010304 -0.002594 -0.022224 444 S 38 Y 0.063490 0.100030 -0.017267 -0.062785 0.059769 445 S 38 Z -0.016721 -0.005960 0.050984 -0.052479 0.029519 446 S 38 X 0.096090 0.230577 0.126172 0.031615 -0.260004 447 S 38 Y 0.349360 0.279731 -0.007749 -0.360068 0.351941 448 S 38 Z 0.000533 -0.004797 0.020321 -0.050550 0.041558 449 S 38 XX -0.001514 -0.035005 -0.020133 -0.000467 0.026088 450 S 38 YY 0.044900 0.042305 0.002139 -0.030750 0.007487 451 S 38 ZZ -0.043386 -0.007300 0.017994 0.031217 -0.033574 452 S 38 XY 0.030475 -0.021523 -0.023460 -0.044095 0.033122 453 S 38 XZ 0.012991 -0.003355 -0.021445 0.011798 -0.026017 454 S 38 YZ 0.011799 -0.008989 -0.006193 -0.009783 -0.015640 455 S 38 XX -0.002879 -0.008350 -0.004266 0.000489 0.005903 456 S 38 YY 0.009995 0.009058 0.001108 -0.007064 0.002309 457 S 38 ZZ -0.007116 -0.000708 0.003158 0.006575 -0.008212 458 S 38 XY 0.004500 -0.002975 -0.003103 -0.007294 0.004670 459 S 38 XZ 0.001977 -0.000616 -0.003463 0.002010 -0.004099 460 S 38 YZ 0.002083 -0.001304 -0.001571 -0.001318 -0.002129 461 H 39 S 0.014505 0.009629 -0.009071 -0.009717 0.000862 462 H 39 S 0.151109 0.930248 0.504784 0.340475 -0.689965 463 H 39 X 0.002129 -0.008727 -0.005065 -0.004689 0.006821 464 H 39 Y 0.002974 -0.000352 -0.003720 -0.004355 -0.004831 465 H 39 Z -0.000217 0.000502 0.001557 0.001628 0.001010 116 117 118 119 120 0.2496 0.2511 0.2568 0.2575 0.2709 A A A A A 1 C 1 S 0.000292 -0.004861 0.009669 -0.007669 -0.002806 2 C 1 S 0.006248 0.005462 -0.012916 -0.000347 0.002462 3 C 1 S -0.033840 0.156619 -0.274994 0.058429 0.084340 4 C 1 X -0.028624 0.048260 0.001296 -0.021710 0.017408 5 C 1 Y -0.013244 0.017613 -0.034351 0.036200 -0.006140 6 C 1 Z -0.004398 -0.008622 -0.005256 -0.022369 0.023317 7 C 1 X -0.081246 0.174893 -0.016809 0.033489 0.069292 8 C 1 Y -0.086497 0.083486 -0.308342 0.252940 -0.038054 9 C 1 Z -0.271379 -0.038041 -0.053395 -0.073214 0.052513 10 C 1 XX -0.011411 0.002117 0.007604 -0.014436 0.004634 11 C 1 YY 0.009634 -0.002759 -0.007991 0.013127 -0.002998 12 C 1 ZZ 0.001777 0.000643 0.000387 0.001309 -0.001636 13 C 1 XY 0.000436 -0.001541 -0.000748 -0.001595 0.005606 14 C 1 XZ -0.005609 -0.001293 0.001165 0.004528 -0.004476 15 C 1 YZ -0.013381 0.000144 -0.000399 0.006262 -0.000628 16 C 2 S -0.004189 -0.003378 -0.000700 0.007888 -0.017873 17 C 2 S -0.042601 0.030957 0.025006 -0.042331 -0.022208 18 C 2 S -0.077562 0.321318 0.105743 -0.234148 0.260120 19 C 2 X 0.000125 -0.031625 0.010188 0.014895 -0.006971 20 C 2 Y 0.029895 -0.007860 -0.025840 0.043657 -0.040960 21 C 2 Z 0.032494 0.020168 -0.017205 -0.026845 0.037188 22 C 2 X 0.084630 -0.119475 0.103437 0.171925 -0.047573 23 C 2 Y 0.340545 -0.185119 -0.132105 0.238842 -0.026278 24 C 2 Z 0.161545 0.011772 -0.051363 -0.013339 -0.037740 25 C 2 XX 0.001971 -0.001968 -0.005717 0.004404 -0.003695 26 C 2 YY 0.002285 0.001014 -0.000596 -0.000943 0.000478 27 C 2 ZZ -0.004256 0.000955 0.006313 -0.003461 0.003217 28 C 2 XY -0.007554 0.006430 -0.002525 0.005820 0.000437 29 C 2 XZ 0.000040 -0.001016 -0.000620 -0.002598 0.002347 30 C 2 YZ -0.009488 -0.004612 0.005319 0.007386 -0.001940 31 C 3 S 0.000475 -0.003391 -0.003212 0.001330 -0.000020 32 C 3 S -0.022284 0.023029 0.026159 0.008069 -0.024716 33 C 3 S -0.176902 0.290597 0.239479 0.178288 -0.075163 34 C 3 X 0.004053 0.034538 -0.030565 0.022511 0.005487 35 C 3 Y -0.020744 0.045420 0.000810 0.009569 -0.003071 36 C 3 Z -0.018509 -0.016467 0.055457 0.041919 0.012400 37 C 3 X -0.124779 0.167608 0.005478 -0.478122 -0.067553 38 C 3 Y 0.160592 0.149084 -0.118049 0.224737 0.012428 39 C 3 Z -0.094993 -0.002797 0.071379 0.047131 0.055300 40 C 3 XX -0.000658 -0.005517 -0.012089 0.012932 -0.005350 41 C 3 YY -0.004922 0.009981 0.005672 -0.003819 -0.008859 42 C 3 ZZ 0.005580 -0.004464 0.006417 -0.009114 0.014208 43 C 3 XY 0.005393 -0.007510 -0.001456 -0.007155 -0.000342 44 C 3 XZ -0.003623 -0.008414 0.005092 0.003297 -0.000426 45 C 3 YZ 0.002396 0.001704 -0.003207 -0.005898 0.000189 46 C 4 S -0.000734 0.007889 0.011683 -0.003485 -0.002606 47 C 4 S -0.022599 -0.003783 -0.012885 0.010373 0.027202 48 C 4 S -0.039294 -0.388182 -0.318243 0.067651 0.111249 49 C 4 X -0.069585 0.027708 -0.017341 0.001807 0.011971 50 C 4 Y 0.033622 0.024528 0.013853 -0.011446 0.001535 51 C 4 Z 0.004733 -0.012070 0.047960 0.023803 -0.028789 52 C 4 X -0.167889 0.035288 -0.035716 0.113469 0.079409 53 C 4 Y 0.218412 0.021510 -0.003873 -0.552598 -0.027835 54 C 4 Z -0.067126 0.086855 0.296920 0.324242 -0.120392 55 C 4 XX -0.003504 0.013429 0.008083 0.000613 0.003486 56 C 4 YY 0.001591 -0.008674 -0.009264 0.015864 0.001830 57 C 4 ZZ 0.001912 -0.004755 0.001181 -0.016476 -0.005315 58 C 4 XY -0.004520 0.002516 -0.000001 0.003132 0.003862 59 C 4 XZ 0.002615 0.008874 -0.004064 0.006077 -0.006433 60 C 4 YZ -0.005533 0.005608 -0.004276 0.003276 0.003163 61 S 5 S -0.003452 0.000411 -0.004072 0.006069 0.002100 62 S 5 S -0.021290 0.001193 -0.025036 0.040229 0.014991 63 S 5 S 0.022980 -0.024729 0.021363 0.012900 0.020486 64 S 5 S 0.280122 -0.106852 0.355899 -0.391413 -0.079016 65 S 5 X 0.002999 0.000502 0.005174 -0.003202 -0.000157 66 S 5 Y -0.001332 -0.000593 0.001249 -0.000814 -0.002107 67 S 5 Z 0.002424 0.003159 0.000603 0.006064 -0.001130 68 S 5 X -0.019541 0.011129 -0.022738 0.003481 0.007500 69 S 5 Y 0.018255 0.021017 0.020909 -0.005485 -0.009656 70 S 5 Z 0.053190 0.033673 0.016235 0.052876 -0.014785 71 S 5 X -0.194353 0.016600 -0.308068 0.272275 0.050550 72 S 5 Y 0.057283 0.150146 -0.053906 0.042548 0.011004 73 S 5 Z 0.126469 0.018478 0.021480 -0.064314 -0.012235 74 S 5 XX 0.010210 -0.023820 -0.024942 0.007306 0.009041 75 S 5 YY -0.023828 0.019329 0.008979 -0.028987 0.020566 76 S 5 ZZ 0.013618 0.004491 0.015964 0.021681 -0.029607 77 S 5 XY 0.024697 0.006747 -0.009808 0.029832 -0.012326 78 S 5 XZ 0.020741 -0.005543 -0.000833 -0.032274 0.003300 79 S 5 YZ 0.042384 0.004242 0.004667 0.004384 -0.000622 80 S 5 XX 0.000484 -0.004166 -0.005079 0.002971 0.001314 81 S 5 YY -0.003321 0.003707 0.000344 -0.004539 0.003262 82 S 5 ZZ 0.002838 0.000459 0.004735 0.001568 -0.004577 83 S 5 XY 0.004139 0.002644 -0.002416 0.004601 -0.002005 84 S 5 XZ 0.004514 -0.000525 0.000075 -0.006034 0.000410 85 S 5 YZ 0.006129 0.000497 0.000935 0.001505 -0.000297 86 H 6 S -0.004927 0.012803 -0.020720 0.032444 -0.021516 87 H 6 S 0.413588 -0.366104 -0.209281 0.591218 -0.209817 88 H 6 X 0.000460 -0.001522 0.006442 -0.003619 0.000471 89 H 6 Y 0.004233 -0.002763 -0.005994 0.005193 -0.002307 90 H 6 Z 0.004692 0.002117 -0.001535 -0.001549 0.003419 91 C 7 S 0.005049 -0.005818 -0.000482 0.006622 -0.005449 92 C 7 S -0.002936 -0.002433 0.022601 0.000312 0.033251 93 C 7 S -0.140076 -0.042175 0.106262 -0.293310 0.179609 94 C 7 X -0.004866 0.017129 -0.021865 -0.036220 0.027750 95 C 7 Y 0.012329 0.047744 -0.030720 0.040326 0.058394 96 C 7 Z -0.001674 0.027995 0.033011 0.032715 0.047374 97 C 7 X -0.170477 0.248500 -0.113107 -0.072593 0.115258 98 C 7 Y -0.020633 0.351721 -0.045901 0.361602 0.408493 99 C 7 Z -0.010896 -0.026596 0.082605 0.132101 0.100636 100 C 7 XX -0.003686 -0.000482 -0.005458 -0.003826 0.012704 101 C 7 YY 0.006693 -0.009545 0.000829 -0.002818 -0.001443 102 C 7 ZZ -0.003007 0.010027 0.004629 0.006644 -0.011261 103 C 7 XY 0.003134 -0.008951 -0.007320 -0.005763 -0.005798 104 C 7 XZ 0.002319 0.001374 0.006549 0.002084 -0.001014 105 C 7 YZ -0.005088 -0.003431 0.004390 0.012804 0.007388 106 C 8 S 0.004527 -0.003705 -0.004383 0.003778 -0.015121 107 C 8 S -0.017755 0.029551 0.003037 0.032665 0.038216 108 C 8 S -0.188796 0.324968 0.097096 0.139398 0.616457 109 C 8 X 0.020630 -0.025797 -0.010980 0.001086 -0.076745 110 C 8 Y 0.002485 0.001238 0.022734 0.004020 0.024863 111 C 8 Z 0.002381 0.040090 0.032252 -0.021716 -0.030854 112 C 8 X 0.082603 -0.169497 0.073384 0.057878 -0.430874 113 C 8 Y -0.009820 -0.014567 0.048086 0.091009 -0.056576 114 C 8 Z 0.030375 0.247776 0.184373 -0.064232 -0.115985 115 C 8 XX -0.000454 0.003636 -0.006834 0.004043 0.009042 116 C 8 YY 0.000158 0.002340 0.006170 0.001155 -0.002214 117 C 8 ZZ 0.000297 -0.005975 0.000664 -0.005198 -0.006828 118 C 8 XY -0.002106 -0.003790 -0.010062 -0.005221 -0.002228 119 C 8 XZ -0.000551 -0.008636 -0.007320 0.003034 0.005616 120 C 8 YZ 0.001629 -0.004875 -0.000577 -0.006728 -0.004238 121 C 9 S -0.002815 0.003904 -0.008677 -0.008443 -0.008040 122 C 9 S 0.017249 -0.008658 -0.010084 0.009980 -0.005189 123 C 9 S 0.157933 -0.135335 0.198011 0.390117 0.227665 124 C 9 X 0.009753 -0.018424 0.007617 -0.018994 -0.029691 125 C 9 Y -0.012512 0.011491 -0.032839 -0.025798 0.018348 126 C 9 Z 0.003232 -0.015588 0.005036 0.026251 -0.022170 127 C 9 X -0.077356 -0.036480 -0.025244 -0.260265 -0.120221 128 C 9 Y 0.232095 -0.228350 -0.220880 -0.447650 -0.014344 129 C 9 Z -0.005686 0.177222 0.108327 0.297778 -0.028093 130 C 9 XX 0.002301 -0.002667 0.003859 -0.002020 -0.004464 131 C 9 YY 0.000908 -0.001036 -0.004781 -0.009365 -0.002593 132 C 9 ZZ -0.003209 0.003703 0.000922 0.011385 0.007057 133 C 9 XY 0.006869 -0.006231 0.004966 -0.004404 -0.006504 134 C 9 XZ -0.006953 0.000713 -0.006767 0.004633 -0.008641 135 C 9 YZ 0.001532 -0.003819 -0.001620 -0.009014 -0.007294 136 C 10 S -0.005314 -0.020675 0.013546 0.004184 -0.009276 137 C 10 S 0.004126 -0.067166 -0.024585 -0.002144 -0.023226 138 C 10 S 0.123502 0.364584 -0.495587 -0.067800 0.243972 139 C 10 X 0.002321 -0.022470 -0.010311 -0.035507 -0.041097 140 C 10 Y -0.007867 0.029411 0.002741 -0.006731 0.019850 141 C 10 Z 0.003150 0.015344 -0.043826 -0.049490 -0.017375 142 C 10 X -0.041363 0.108834 0.022097 0.242514 0.078730 143 C 10 Y -0.118206 0.185503 -0.036375 0.068763 -0.028222 144 C 10 Z 0.027020 -0.015475 -0.113543 -0.166167 -0.074020 145 C 10 XX -0.000900 -0.003963 0.007714 -0.008191 -0.016835 146 C 10 YY -0.000656 0.004218 -0.005663 0.005343 0.016756 147 C 10 ZZ 0.001557 -0.000255 -0.002052 0.002848 0.000079 148 C 10 XY -0.005842 -0.001613 0.012019 0.005084 0.001514 149 C 10 XZ 0.006778 0.016175 -0.015004 -0.017084 -0.002047 150 C 10 YZ -0.002995 -0.003650 0.005942 0.006096 -0.001863 151 C 11 S -0.005146 -0.004349 0.003645 0.008258 -0.015066 152 C 11 S -0.027324 0.001426 -0.020500 0.033204 -0.006143 153 C 11 S -0.106743 0.129501 -0.192504 -0.330108 0.147442 154 C 11 X -0.018346 0.004208 0.004452 0.004788 -0.033669 155 C 11 Y -0.001506 0.037758 0.002797 0.003967 0.029235 156 C 11 Z 0.032188 0.072592 -0.067366 -0.057725 0.053935 157 C 11 X -0.194815 -0.133869 0.125412 -0.363313 -0.186678 158 C 11 Y -0.134426 0.025062 0.126022 0.221365 -0.091124 159 C 11 Z 0.084033 0.107166 -0.120298 -0.129856 0.067379 160 C 11 XX -0.006447 0.012322 0.009940 -0.010037 -0.006277 161 C 11 YY 0.000194 -0.016935 -0.008629 0.005759 -0.011458 162 C 11 ZZ 0.006253 0.004613 -0.001310 0.004277 0.017735 163 C 11 XY 0.007767 0.003167 -0.012539 -0.000687 -0.005661 164 C 11 XZ 0.003616 0.007896 -0.011265 -0.015182 -0.012161 165 C 11 YZ 0.000931 0.001669 -0.005157 -0.006466 -0.001870 166 C 12 S 0.002242 0.003631 -0.009013 -0.010649 -0.009279 167 C 12 S 0.010293 -0.001468 -0.042892 -0.028354 -0.024192 168 C 12 S 0.009763 -0.102839 0.006362 0.167722 0.041771 169 C 12 X -0.019956 -0.034259 0.082821 -0.001661 -0.046588 170 C 12 Y 0.005887 0.061022 -0.070344 -0.025297 0.030393 171 C 12 Z -0.046778 -0.101932 0.142372 0.113578 0.039888 172 C 12 X -0.085788 -0.097532 0.244117 0.095549 -0.018336 173 C 12 Y 0.011031 0.136237 -0.178685 -0.080901 0.105692 174 C 12 Z -0.083936 -0.113405 0.226402 0.237051 0.056388 175 C 12 XX 0.002483 0.000937 -0.016835 0.001309 0.010130 176 C 12 YY -0.010680 -0.019606 0.038096 0.016594 0.001891 177 C 12 ZZ 0.008198 0.018669 -0.021261 -0.017904 -0.012021 178 C 12 XY 0.001541 0.002015 -0.006781 0.000926 0.003939 179 C 12 XZ -0.001898 -0.003056 -0.000802 -0.001355 0.002327 180 C 12 YZ 0.005917 0.015594 -0.020900 -0.016204 -0.010128 181 C 13 S -0.001397 -0.001920 0.001993 -0.003157 -0.002698 182 C 13 S 0.008286 0.001622 -0.043488 -0.013541 0.000457 183 C 13 S 0.055449 0.013676 -0.222250 0.069318 0.011344 184 C 13 X -0.015292 0.018440 0.049225 -0.039809 -0.072235 185 C 13 Y -0.012633 0.040633 -0.000799 -0.019035 0.003436 186 C 13 Z -0.052319 -0.119474 0.170256 0.151365 0.057312 187 C 13 X -0.012492 0.060768 0.074528 -0.067276 -0.134915 188 C 13 Y -0.060725 0.113460 0.052287 -0.045677 0.091199 189 C 13 Z -0.090677 -0.193231 0.242716 0.192547 0.053031 190 C 13 XX -0.002519 0.014594 0.002647 -0.021495 -0.022534 191 C 13 YY 0.012202 0.013208 -0.046508 -0.013096 0.002149 192 C 13 ZZ -0.009683 -0.027801 0.043861 0.034590 0.020385 193 C 13 XY 0.000446 -0.002667 0.002341 -0.001229 -0.001504 194 C 13 XZ -0.003538 -0.012226 0.017499 0.015161 0.012552 195 C 13 YZ 0.000792 0.000795 -0.007477 -0.004122 -0.003786 196 C 14 S 0.004993 0.007365 -0.013090 -0.009070 -0.011223 197 C 14 S 0.017474 0.031928 -0.065711 -0.035961 -0.035424 198 C 14 S -0.138229 -0.026312 0.050066 -0.110169 -0.053119 199 C 14 X -0.019837 0.002684 0.050846 -0.022333 -0.071813 200 C 14 Y -0.035334 0.040071 0.071548 -0.015009 -0.000489 201 C 14 Z -0.030451 -0.074322 0.134057 0.108267 0.080384 202 C 14 X -0.097913 -0.085106 0.160960 0.001648 -0.199873 203 C 14 Y -0.151784 0.063148 0.269964 -0.117675 0.027125 204 C 14 Z -0.064581 -0.120903 0.192153 0.220231 0.006379 205 C 14 XX 0.004514 -0.006743 -0.020618 0.004334 0.003353 206 C 14 YY -0.007508 -0.004987 0.029537 0.006561 0.006485 207 C 14 ZZ 0.002993 0.011729 -0.008919 -0.010895 -0.009838 208 C 14 XY -0.003113 0.009313 0.000633 -0.006493 0.001095 209 C 14 XZ 0.004535 0.003713 -0.009426 -0.002995 0.009517 210 C 14 YZ -0.006127 -0.015857 0.029506 0.024386 0.022003 211 F 15 S -0.001102 -0.001426 0.001676 0.003728 0.000831 212 F 15 S 0.007844 0.019420 -0.019217 -0.027219 -0.013075 213 F 15 S 0.040867 0.081197 -0.090505 -0.150959 -0.055998 214 F 15 X 0.011589 0.013396 -0.033205 -0.016322 0.012205 215 F 15 Y -0.010747 -0.044922 0.057910 0.041519 0.002528 216 F 15 Z -0.016557 -0.048335 0.032844 0.052240 0.033337 217 F 15 X 0.018922 0.029754 -0.050620 -0.023607 0.006458 218 F 15 Y -0.013372 -0.053832 0.069359 0.042044 -0.009737 219 F 15 Z -0.019082 -0.049828 0.034649 0.078645 0.038834 220 F 15 XX 0.000271 0.000919 -0.001168 -0.000532 -0.000504 221 F 15 YY -0.000396 -0.000689 0.001692 0.001052 0.000139 222 F 15 ZZ 0.000125 -0.000230 -0.000523 -0.000521 0.000365 223 F 15 XY -0.000201 0.000223 -0.000512 0.000392 0.000702 224 F 15 XZ 0.000685 0.001463 -0.002320 -0.000244 0.000396 225 F 15 YZ -0.000379 -0.001851 0.002011 0.001248 0.000028 226 F 16 S 0.000632 0.001344 -0.003863 -0.002350 0.000948 227 F 16 S -0.007889 -0.030971 0.044288 0.017512 -0.014170 228 F 16 S -0.036737 -0.120411 0.204692 0.093451 -0.065161 229 F 16 X 0.004584 -0.019978 0.000236 0.008149 -0.006279 230 F 16 Y 0.032393 0.058962 -0.113653 -0.056448 -0.003350 231 F 16 Z 0.005474 0.000770 0.010845 -0.013403 -0.017119 232 F 16 X 0.009073 -0.013745 -0.000855 0.004955 -0.004212 233 F 16 Y 0.032627 0.075490 -0.134168 -0.069693 0.016330 234 F 16 Z 0.004653 -0.009215 0.023805 -0.020286 -0.032254 235 F 16 XX -0.000504 -0.000101 0.001099 0.000969 0.001041 236 F 16 YY 0.001059 0.001415 -0.003145 -0.002182 -0.001072 237 F 16 ZZ -0.000555 -0.001313 0.002045 0.001213 0.000031 238 F 16 XY -0.000347 -0.000028 -0.000242 0.000987 0.002154 239 F 16 XZ -0.000301 -0.000176 0.000226 0.000043 -0.000191 240 F 16 YZ 0.000093 0.000591 -0.000184 -0.000688 0.000068 241 F 17 S 0.001697 0.000739 -0.003831 -0.001537 0.000823 242 F 17 S -0.024029 0.000345 0.055493 0.006776 0.010156 243 F 17 S -0.103421 -0.008035 0.238152 0.042218 0.015921 244 F 17 X -0.006040 0.019575 -0.005187 -0.009616 0.019891 245 F 17 Y -0.023956 -0.042028 0.098802 0.070210 0.021106 246 F 17 Z -0.021571 0.013746 0.055630 -0.006483 0.015205 247 F 17 X -0.001401 0.022984 -0.009064 -0.008706 0.035245 248 F 17 Y -0.035269 -0.041653 0.121610 0.076974 0.016511 249 F 17 Z -0.037284 0.021198 0.082192 -0.019342 0.002914 250 F 17 XX 0.000440 -0.001503 0.000153 0.001324 0.001215 251 F 17 YY 0.000179 0.002167 -0.002008 -0.002153 -0.001974 252 F 17 ZZ -0.000619 -0.000665 0.001856 0.000829 0.000760 253 F 17 XY -0.001048 0.000690 0.001663 -0.001459 -0.001111 254 F 17 XZ 0.000155 -0.000198 -0.000298 -0.000209 -0.001422 255 F 17 YZ -0.000309 0.000409 -0.000872 -0.000818 -0.000975 256 F 18 S -0.001138 -0.001066 -0.000276 0.002825 -0.002533 257 F 18 S -0.006564 0.020945 -0.006258 -0.029802 -0.023529 258 F 18 S -0.004016 0.083894 -0.018967 -0.143526 -0.040059 259 F 18 X -0.007017 0.008018 -0.008410 -0.012482 0.001019 260 F 18 Y 0.023856 0.021265 -0.066676 -0.039890 -0.035558 261 F 18 Z 0.009486 -0.031718 -0.008381 0.039725 0.034376 262 F 18 X 0.000510 0.013305 -0.017564 -0.018432 0.012477 263 F 18 Y 0.031003 0.024484 -0.079721 -0.042152 -0.029466 264 F 18 Z 0.015476 -0.043138 -0.021996 0.063698 0.034370 265 F 18 XX 0.000730 0.000236 -0.001533 -0.000466 -0.000372 266 F 18 YY -0.000867 -0.000726 0.002749 0.001480 -0.000074 267 F 18 ZZ 0.000136 0.000490 -0.001217 -0.001014 0.000446 268 F 18 XY -0.000432 0.001066 0.000973 -0.000831 0.000382 269 F 18 XZ 0.000441 0.000465 -0.001532 -0.000083 0.000449 270 F 18 YZ 0.000595 0.000197 -0.001550 -0.000591 -0.001370 271 C 19 S -0.003318 0.004999 0.005092 0.006914 -0.002726 272 C 19 S 0.001031 -0.013799 -0.008101 -0.010878 -0.017689 273 C 19 S 0.069403 -0.154389 -0.176160 -0.228528 0.079061 274 C 19 X -0.035036 0.050984 -0.067230 0.034525 0.098144 275 C 19 Y 0.028087 0.004470 0.074275 -0.026745 -0.015147 276 C 19 Z -0.034146 -0.203565 -0.089571 0.056551 -0.003071 277 C 19 X -0.190518 0.222285 -0.316372 0.158673 0.433153 278 C 19 Y 0.118296 0.048506 0.367940 -0.040534 -0.166787 279 C 19 Z -0.124204 -0.988411 -0.438826 0.227844 0.040384 280 C 19 XX -0.002974 0.005665 -0.000898 0.004095 0.008879 281 C 19 YY 0.001286 0.001355 0.000545 -0.001706 -0.003925 282 C 19 ZZ 0.001688 -0.007020 0.000353 -0.002389 -0.004954 283 C 19 XY -0.000962 0.001613 0.003600 0.000498 0.001765 284 C 19 XZ 0.000473 0.004910 0.001981 0.000592 0.003311 285 C 19 YZ -0.002712 -0.013781 -0.008010 0.006945 0.003572 286 H 20 S 0.004818 0.014149 0.024967 0.004989 -0.002141 287 H 20 S 0.274497 -0.178621 0.705699 -0.166921 -0.622039 288 H 20 X -0.003601 0.003258 -0.006848 0.002699 0.007773 289 H 20 Y -0.000506 0.001822 0.003592 0.000600 0.001274 290 H 20 Z -0.000535 0.000666 0.000276 0.000644 0.000202 291 H 21 S 0.002547 -0.035524 -0.022890 -0.014041 -0.007129 292 H 21 S -0.351002 -1.033549 -0.852417 0.458080 0.267047 293 H 21 X 0.000125 -0.001554 0.000032 -0.000914 -0.000522 294 H 21 Y 0.003286 0.010986 0.007819 -0.004361 -0.002758 295 H 21 Z -0.002873 -0.009190 -0.006445 0.002872 0.002170 296 C 22 S 0.006705 0.006590 0.007974 -0.011179 0.002005 297 C 22 S 0.004050 -0.004354 0.003332 0.015533 -0.008772 298 C 22 S -0.154072 -0.165484 -0.225876 0.385324 -0.108639 299 C 22 X -0.059044 0.003782 0.114752 -0.072799 0.004596 300 C 22 Y -0.019594 -0.003247 0.063908 -0.052012 -0.006242 301 C 22 Z 0.237239 0.019634 0.054390 0.083658 -0.050332 302 C 22 X -0.271426 -0.006415 0.593117 -0.463058 0.048247 303 C 22 Y -0.183722 -0.048887 0.226097 -0.208391 -0.025640 304 C 22 Z 1.133778 0.097607 0.223483 0.361237 -0.231230 305 C 22 XX 0.002548 -0.002341 -0.000782 0.003533 -0.000887 306 C 22 YY -0.002018 0.004247 -0.005234 -0.001172 0.001906 307 C 22 ZZ -0.000531 -0.001907 0.006015 -0.002361 -0.001018 308 C 22 XY -0.004150 0.001960 -0.005239 0.001789 0.000804 309 C 22 XZ 0.013905 0.002733 0.003579 0.008205 -0.004042 310 C 22 YZ -0.001816 -0.000855 -0.001098 -0.003323 0.002561 311 H 23 S -0.040395 0.011538 0.016502 -0.029860 0.009183 312 H 23 S -0.430414 0.077330 0.926488 -0.826465 0.073653 313 H 23 X -0.003775 0.001973 0.005589 -0.006595 0.001432 314 H 23 Y -0.002066 -0.001026 0.009717 -0.006359 -0.000108 315 H 23 Z -0.000240 -0.000216 0.000568 0.000211 -0.000451 316 H 24 S -0.006370 -0.006551 -0.007628 0.020948 -0.003606 317 H 24 S -1.075038 -0.076263 -0.698735 -0.231139 0.273892 318 H 24 X 0.010354 0.000894 0.004720 0.003049 -0.001811 319 H 24 Y -0.005226 -0.000511 -0.002641 -0.000800 0.000328 320 H 24 Z 0.009874 0.000558 0.006496 0.001219 -0.002253 321 H 25 S 0.052431 -0.007940 -0.003054 0.012076 -0.011887 322 H 25 S 1.708726 0.169123 -0.102040 0.680311 -0.289776 323 H 25 X -0.013453 -0.002167 0.000220 -0.004500 0.002113 324 H 25 Y 0.003895 0.000761 -0.000422 0.003442 -0.001385 325 H 25 Z 0.015931 0.002508 -0.001369 0.008509 -0.002999 326 C 26 S -0.000080 0.007845 0.007996 0.002419 0.013457 327 C 26 S 0.002466 -0.001642 -0.023357 0.008677 -0.002347 328 C 26 S 0.022738 -0.134699 -0.325614 -0.010605 -0.353206 329 C 26 X 0.081650 -0.048113 0.030721 -0.115627 0.135088 330 C 26 Y 0.023116 0.064588 0.013563 0.102495 0.191714 331 C 26 Z -0.012585 0.032589 0.032656 0.017510 -0.005009 332 C 26 X 0.395236 -0.248550 0.109426 -0.575376 0.670208 333 C 26 Y 0.044353 0.342828 0.066145 0.588620 0.877955 334 C 26 Z -0.055568 0.112513 0.104134 0.036296 -0.119556 335 C 26 XX -0.002352 -0.005105 0.002423 -0.003776 -0.005214 336 C 26 YY -0.001236 0.002184 -0.002751 0.002353 0.002333 337 C 26 ZZ 0.003588 0.002922 0.000328 0.001424 0.002881 338 C 26 XY -0.004153 0.000182 0.001986 0.005965 -0.013038 339 C 26 XZ -0.000045 0.001830 0.001155 0.003106 -0.000694 340 C 26 YZ -0.003683 0.001892 0.001268 0.001325 -0.002755 341 H 27 S 0.001131 -0.003215 0.008103 -0.004530 0.039693 342 H 27 S 0.503190 0.143417 0.326429 -0.134529 1.751070 343 H 27 X 0.006159 0.002172 -0.001557 -0.003325 0.015581 344 H 27 Y 0.004815 0.000342 0.000976 -0.002797 0.014048 345 H 27 Z 0.002132 0.000121 0.000821 -0.000185 0.004843 346 H 28 S 0.005805 -0.012285 0.000390 -0.035112 -0.025452 347 H 28 S -0.060317 -0.341919 0.197879 -0.799331 -0.952126 348 H 28 X -0.000989 -0.000948 0.000927 0.001204 -0.002569 349 H 28 Y 0.001380 0.002119 -0.002855 0.005856 0.008073 350 H 28 Z -0.001172 -0.002527 0.000279 -0.004722 -0.006085 351 H 29 S -0.019609 0.017192 -0.004213 0.040323 -0.015765 352 H 29 S -0.490304 0.594435 0.040352 1.135583 -0.321208 353 H 29 X 0.002254 -0.005339 0.000691 -0.012896 0.003041 354 H 29 Y -0.002144 0.003394 0.000870 0.007739 -0.003502 355 H 29 Z -0.004020 0.004883 0.000658 0.005228 -0.000624 356 C 30 S -0.004027 -0.012455 0.012045 -0.001549 -0.011693 357 C 30 S -0.005634 0.001289 -0.012626 -0.007965 0.001931 358 C 30 S 0.035875 0.262508 -0.377214 -0.025204 0.301310 359 C 30 X -0.038221 0.121400 -0.011198 0.077134 -0.087662 360 C 30 Y -0.083965 0.012064 -0.008227 0.062640 -0.017698 361 C 30 Z 0.010680 0.019813 0.000258 0.049209 0.035582 362 C 30 X -0.161497 0.552099 -0.043456 0.419870 -0.478257 363 C 30 Y -0.475953 0.104549 -0.006447 0.374399 -0.090279 364 C 30 Z 0.032896 0.011471 0.073266 0.168533 0.060499 365 C 30 XX -0.002448 0.001953 0.001067 -0.002936 -0.003104 366 C 30 YY 0.002561 -0.001476 0.000956 0.001050 -0.000310 367 C 30 ZZ -0.000113 -0.000477 -0.002023 0.001887 0.003414 368 C 30 XY -0.004818 0.003757 0.000470 0.006709 -0.002463 369 C 30 XZ 0.002685 -0.001788 0.002837 0.001121 -0.000190 370 C 30 YZ -0.003768 -0.003442 0.001079 -0.004554 -0.002418 371 H 31 S -0.016757 0.017883 -0.002624 0.002984 0.000137 372 H 31 S -0.602192 -0.035863 0.036594 0.240264 -0.233607 373 H 31 X 0.001227 -0.000443 -0.000352 -0.002754 0.000203 374 H 31 Y -0.005161 0.000972 -0.000104 -0.000318 -0.001659 375 H 31 Z 0.006379 0.001798 -0.000610 0.000091 0.003120 376 H 32 S -0.003287 0.012272 -0.011220 0.016323 -0.031911 377 H 32 S 0.052884 0.532935 0.061671 0.280105 -0.635498 378 H 32 X -0.000011 0.003016 0.002302 0.008019 -0.004606 379 H 32 Y 0.000664 -0.003727 0.000724 -0.003301 0.003156 380 H 32 Z -0.001647 -0.003487 0.000535 0.001843 0.002580 381 H 33 S 0.015433 -0.036524 0.004457 -0.032020 0.025201 382 H 33 S 0.581358 -0.887223 0.223259 -0.821667 0.507454 383 H 33 X -0.006202 0.007744 -0.002501 0.006600 -0.004625 384 H 33 Y -0.004688 0.005018 -0.000665 0.006540 -0.003444 385 H 33 Z -0.001944 0.001892 0.001657 0.003498 -0.001898 386 H 34 S -0.007219 0.015863 -0.009087 0.006839 -0.008531 387 H 34 S 0.000408 1.389014 0.243365 -0.120421 0.266644 388 H 34 X -0.000234 0.002313 0.000977 0.000739 0.001377 389 H 34 Y 0.000076 -0.010633 -0.003325 0.002171 0.001676 390 H 34 Z -0.000067 -0.013608 -0.002954 0.002736 -0.001577 391 F 35 S -0.000374 -0.002231 -0.000578 0.002144 0.001081 392 F 35 S -0.006534 0.009348 0.020800 -0.018105 -0.026113 393 F 35 S -0.015630 0.065639 0.077171 -0.091493 -0.102758 394 F 35 X -0.003032 0.040890 0.014796 -0.057134 -0.053487 395 F 35 Y 0.007655 -0.014905 0.000828 0.003021 -0.008703 396 F 35 Z 0.020562 0.027475 -0.065431 -0.032706 0.003689 397 F 35 X -0.005449 0.048538 0.030654 -0.068796 -0.063302 398 F 35 Y 0.010110 -0.018304 0.000296 0.003138 -0.013724 399 F 35 Z 0.027679 0.033799 -0.087986 -0.033802 0.009720 400 F 35 XX -0.000883 -0.002217 0.003197 0.002469 0.001029 401 F 35 YY 0.000812 0.001446 -0.002901 -0.001372 -0.000005 402 F 35 ZZ 0.000071 0.000770 -0.000296 -0.001097 -0.001024 403 F 35 XY -0.000410 0.000557 0.000441 0.000065 0.000292 404 F 35 XZ -0.001002 -0.001573 0.002968 0.002082 0.000196 405 F 35 YZ 0.000168 -0.000397 -0.000173 0.000185 -0.000133 406 F 36 S 0.001106 0.002430 -0.003349 -0.001394 -0.000543 407 F 36 S -0.020009 -0.035407 0.060428 0.042424 0.003755 408 F 36 S -0.081960 -0.153144 0.244014 0.154478 0.018270 409 F 36 X -0.006886 -0.027504 0.000627 0.032482 0.012821 410 F 36 Y 0.008631 -0.009573 -0.012944 -0.001456 -0.007505 411 F 36 Z -0.037037 -0.077594 0.134770 0.093361 0.032309 412 F 36 X 0.000498 -0.024232 -0.008907 0.036528 0.036564 413 F 36 Y 0.012880 -0.009811 -0.020751 -0.003019 -0.011740 414 F 36 Z -0.052901 -0.097048 0.166862 0.107393 0.012834 415 F 36 XX -0.000324 -0.000527 0.002333 0.001139 0.000985 416 F 36 YY 0.000495 -0.000184 -0.001192 0.000231 0.000725 417 F 36 ZZ -0.000171 0.000711 -0.001141 -0.001370 -0.001710 418 F 36 XY 0.000192 -0.000204 -0.000070 0.000162 0.000038 419 F 36 XZ -0.000216 0.000810 0.000262 -0.001336 -0.002100 420 F 36 YZ -0.000219 0.000649 0.000161 -0.000041 0.000519 421 C 37 S 0.004850 -0.005836 -0.009071 -0.010530 0.001899 422 C 37 S 0.018382 -0.004506 0.016736 -0.006810 -0.036432 423 C 37 S -0.036070 0.195527 0.315858 0.301926 -0.131305 424 C 37 X 0.002465 0.027658 0.031650 0.009823 0.049601 425 C 37 Y 0.012730 -0.000033 0.003044 -0.002331 0.013339 426 C 37 Z -0.008688 0.019763 -0.023915 0.031221 0.027332 427 C 37 X 0.099670 0.120028 0.120073 -0.123920 0.323216 428 C 37 Y 0.091122 -0.118077 -0.001467 -0.157782 -0.026159 429 C 37 Z 0.027012 -0.130997 -0.118875 -0.043483 0.130300 430 C 37 XX -0.005747 0.007458 -0.002708 0.001825 0.001881 431 C 37 YY 0.002029 -0.003546 -0.003612 0.004725 -0.007359 432 C 37 ZZ 0.003718 -0.003913 0.006320 -0.006550 0.005478 433 C 37 XY 0.000535 -0.000357 0.000666 0.005064 -0.006367 434 C 37 XZ 0.002578 -0.006694 -0.004070 -0.002018 0.002564 435 C 37 YZ 0.000975 0.002734 0.001381 0.003118 0.000402 436 S 38 S -0.000382 0.003085 -0.001578 0.002312 0.013450 437 S 38 S -0.000784 0.017660 -0.011038 0.015816 0.090056 438 S 38 S 0.024923 -0.035024 -0.012538 0.011214 0.036716 439 S 38 S 0.132153 -0.390593 0.065762 -0.158548 -0.773280 440 S 38 X -0.001116 0.003043 -0.002861 -0.000289 0.005979 441 S 38 Y -0.000929 0.001001 0.003326 0.000854 -0.003351 442 S 38 Z -0.000713 -0.004153 -0.001047 -0.000611 -0.000304 443 S 38 X 0.019050 0.003169 -0.032113 0.004491 -0.017229 444 S 38 Y -0.013267 0.045763 0.002505 0.012293 0.033153 445 S 38 Z -0.006501 -0.075601 -0.035296 -0.024385 -0.020930 446 S 38 X 0.131113 -0.170148 0.039828 0.048642 -0.395502 447 S 38 Y -0.051054 0.232610 -0.079722 0.101890 0.374589 448 S 38 Z 0.002085 -0.095530 -0.081482 -0.045616 -0.037620 449 S 38 XX -0.011075 0.009306 0.004127 0.010875 0.042408 450 S 38 YY 0.009433 0.002689 -0.006739 0.006574 0.011223 451 S 38 ZZ 0.001641 -0.011996 0.002612 -0.017449 -0.053632 452 S 38 XY 0.007431 0.006886 0.022387 0.020191 0.001940 453 S 38 XZ 0.005271 0.037224 0.024146 -0.009712 -0.009485 454 S 38 YZ 0.009909 0.001486 -0.008807 -0.036272 -0.024091 455 S 38 XX -0.002547 0.002236 0.000527 0.001125 0.008587 456 S 38 YY 0.001401 0.001583 -0.001316 0.001820 0.002822 457 S 38 ZZ 0.001145 -0.003820 0.000789 -0.002945 -0.011410 458 S 38 XY 0.001720 0.000106 0.004283 0.003970 -0.000874 459 S 38 XZ 0.000678 0.006118 0.003977 -0.001332 -0.001196 460 S 38 YZ 0.001401 0.000154 -0.001628 -0.005380 -0.003463 461 H 39 S -0.013339 0.011252 -0.030973 0.000478 0.014482 462 H 39 S -0.101753 -0.217383 -0.391205 -0.026144 -0.177966 463 H 39 X -0.001051 0.004419 0.002929 0.001245 0.001112 464 H 39 Y 0.002545 -0.002551 0.002708 0.000556 -0.005973 465 H 39 Z 0.003517 -0.006242 -0.001657 -0.004848 0.001658 121 122 123 124 125 0.2739 0.2770 0.2825 0.2896 0.2948 A A A A A 1 C 1 S -0.009443 -0.000782 0.014685 0.010413 -0.024901 2 C 1 S 0.069161 0.000259 -0.031851 0.007793 0.052977 3 C 1 S 0.720055 0.064040 -0.428521 -0.589460 1.234160 4 C 1 X 0.040311 0.017906 -0.071099 -0.019272 0.058926 5 C 1 Y 0.050108 -0.004461 -0.075017 0.040358 0.045422 6 C 1 Z 0.041741 0.009874 0.019620 0.009953 -0.029515 7 C 1 X 0.189778 0.009517 -0.384096 0.182153 0.011146 8 C 1 Y 0.073484 -0.085906 -0.224344 0.279070 0.058546 9 C 1 Z 0.140604 0.035044 0.019585 -0.012611 -0.067990 10 C 1 XX -0.003813 0.003195 0.000235 -0.011508 0.014219 11 C 1 YY 0.006170 -0.003987 0.004641 0.004546 -0.007474 12 C 1 ZZ -0.002356 0.000792 -0.004876 0.006962 -0.006745 13 C 1 XY -0.001677 -0.001529 -0.002196 0.007720 -0.010218 14 C 1 XZ -0.005164 -0.004131 -0.001372 0.001987 -0.000473 15 C 1 YZ 0.003356 0.001295 0.002294 -0.000611 0.002231 16 C 2 S 0.004729 -0.008971 0.022504 0.001883 -0.009347 17 C 2 S -0.019396 0.004702 0.052886 -0.041816 0.004202 18 C 2 S -0.149928 0.255468 -0.409836 -0.117360 0.290815 19 C 2 X -0.017671 -0.007079 0.012636 0.041433 -0.037198 20 C 2 Y 0.008593 -0.014562 0.024153 0.041629 -0.042843 21 C 2 Z 0.026741 0.029575 0.033945 0.002697 -0.011663 22 C 2 X -0.168102 -0.125586 0.018288 0.591079 -0.680573 23 C 2 Y 0.111063 0.002928 -0.003666 0.153380 0.047207 24 C 2 Z -0.023304 0.009857 0.113476 0.043143 0.094567 25 C 2 XX 0.007907 -0.001897 -0.002782 0.009335 0.001945 26 C 2 YY -0.001394 0.002208 0.004341 -0.003036 -0.003127 27 C 2 ZZ -0.006513 -0.000311 -0.001560 -0.006299 0.001181 28 C 2 XY 0.003932 0.001671 -0.014335 -0.000298 0.005717 29 C 2 XZ 0.003827 0.001768 0.002422 0.000016 0.000579 30 C 2 YZ -0.000492 -0.005511 -0.004380 -0.001915 -0.002761 31 C 3 S 0.004059 0.002830 0.007780 -0.000259 0.008786 32 C 3 S -0.004421 0.012057 -0.008391 0.028673 -0.051605 33 C 3 S -0.261608 -0.042521 -0.259882 0.396427 -0.630328 34 C 3 X 0.016778 0.028743 -0.042928 -0.044210 0.001232 35 C 3 Y 0.010561 0.028993 -0.072699 0.005176 0.006104 36 C 3 Z -0.012140 -0.031001 -0.078328 -0.041798 -0.049631 37 C 3 X 0.093108 0.218467 -0.006984 -0.519975 0.205340 38 C 3 Y -0.024042 0.157020 -0.335860 0.073709 0.245608 39 C 3 Z 0.024454 -0.001214 -0.228510 -0.115719 -0.106430 40 C 3 XX 0.002117 -0.004610 -0.004754 0.003157 0.011606 41 C 3 YY -0.004952 0.003124 0.009789 -0.006870 -0.007378 42 C 3 ZZ 0.002835 0.001486 -0.005034 0.003713 -0.004228 43 C 3 XY 0.007539 0.001914 0.002279 -0.011776 0.018914 44 C 3 XZ 0.003356 -0.004057 -0.000230 -0.001799 0.001539 45 C 3 YZ -0.003528 0.002831 0.000560 0.001603 0.000030 46 C 4 S 0.005073 -0.005395 0.005566 -0.010127 -0.009727 47 C 4 S -0.001529 -0.012506 -0.013420 -0.017810 0.050186 48 C 4 S -0.151980 0.033317 -0.181023 0.221537 0.322457 49 C 4 X -0.023571 0.020083 -0.104982 0.093057 0.002547 50 C 4 Y -0.040520 0.004886 0.038573 -0.015643 -0.091570 51 C 4 Z 0.021893 0.005289 0.019516 -0.018361 -0.020727 52 C 4 X -0.134524 0.108952 -0.424261 0.246408 0.244481 53 C 4 Y -0.069829 0.216526 0.126710 -0.136277 -0.310113 54 C 4 Z 0.050245 0.039775 0.028514 -0.185705 0.010263 55 C 4 XX 0.000977 0.009492 -0.007178 -0.002480 0.002792 56 C 4 YY -0.008265 0.002042 0.000105 0.001009 -0.009442 57 C 4 ZZ 0.007288 -0.011533 0.007073 0.001471 0.006650 58 C 4 XY 0.011474 0.000066 -0.020491 0.004417 -0.003216 59 C 4 XZ 0.006835 0.006466 0.003768 -0.002338 -0.006061 60 C 4 YZ -0.012183 -0.000556 -0.007171 -0.003852 0.004000 61 S 5 S 0.002618 0.000160 -0.008209 0.002430 0.006448 62 S 5 S 0.015995 0.001298 -0.052014 0.013431 0.038632 63 S 5 S -0.018942 0.002482 0.024206 -0.033365 -0.050725 64 S 5 S -0.209417 0.028704 0.644088 -0.337352 -0.574725 65 S 5 X 0.001425 0.000984 0.001350 -0.004235 -0.003678 66 S 5 Y -0.005506 0.002260 0.003691 -0.000218 -0.000692 67 S 5 Z -0.001787 0.001493 -0.000563 -0.000362 0.001175 68 S 5 X 0.064856 -0.000038 -0.097531 0.014841 0.069256 69 S 5 Y 0.034397 0.017820 -0.009329 -0.054709 0.056290 70 S 5 Z -0.060073 0.002612 0.025256 -0.001998 0.019487 71 S 5 X 0.151736 -0.054227 -0.450117 0.265509 0.451755 72 S 5 Y 0.342982 -0.042792 -0.189938 -0.123457 0.176869 73 S 5 Z -0.110050 -0.016706 0.119521 -0.016419 -0.024082 74 S 5 XX -0.002041 -0.013799 -0.011284 0.012170 0.005890 75 S 5 YY 0.017430 0.012072 -0.051515 -0.000739 0.031713 76 S 5 ZZ -0.015389 0.001727 0.062800 -0.011431 -0.037603 77 S 5 XY 0.040722 0.001604 -0.004713 -0.012854 0.008558 78 S 5 XZ -0.013069 -0.014606 0.005628 -0.001894 -0.004932 79 S 5 YZ 0.002716 0.007276 -0.011055 0.000344 -0.002086 80 S 5 XX -0.000738 -0.002653 -0.002159 0.003183 0.002609 81 S 5 YY 0.003710 0.002148 -0.009523 0.000206 0.005735 82 S 5 ZZ -0.002972 0.000505 0.011682 -0.003389 -0.008345 83 S 5 XY 0.009368 -0.000731 -0.001758 -0.003038 0.002000 84 S 5 XZ -0.002388 -0.001730 0.002291 -0.000679 -0.001831 85 S 5 YZ 0.000080 0.000859 -0.002509 0.000300 0.000502 86 H 6 S 0.030358 -0.009063 -0.024655 0.038228 -0.017260 87 H 6 S 0.108493 -0.224250 0.043088 0.772522 -0.634697 88 H 6 X -0.005133 -0.000716 0.007038 -0.002622 -0.006968 89 H 6 Y 0.002520 -0.002896 0.000503 0.005971 -0.002310 90 H 6 Z 0.001836 0.003081 0.002206 0.001018 -0.001064 91 C 7 S -0.005069 0.015627 0.006989 -0.002952 -0.005096 92 C 7 S 0.023464 -0.036926 -0.035708 0.100180 0.034876 93 C 7 S 0.235971 -0.405278 -0.192005 0.436169 0.183060 94 C 7 X 0.050505 -0.013437 -0.060306 -0.012685 0.053856 95 C 7 Y 0.001699 -0.134733 0.078468 0.013574 0.010929 96 C 7 Z -0.003854 -0.013148 0.047562 0.021211 0.051811 97 C 7 X -0.032497 -0.074036 -0.329478 0.143552 0.115133 98 C 7 Y 0.017387 -0.679869 0.126901 0.316984 0.264403 99 C 7 Z -0.006180 -0.009955 0.161781 0.043342 0.192237 100 C 7 XX -0.007384 -0.015705 0.002075 -0.011375 -0.014386 101 C 7 YY 0.001420 0.013981 -0.000387 0.010082 0.015469 102 C 7 ZZ 0.005964 0.001723 -0.001687 0.001293 -0.001083 103 C 7 XY 0.002441 0.005866 -0.007939 -0.015213 0.001363 104 C 7 XZ 0.006056 -0.003053 0.001027 -0.000802 0.002852 105 C 7 YZ 0.006319 -0.001818 0.005521 -0.000706 0.003341 106 C 8 S -0.012014 0.016347 0.014146 -0.015169 -0.022025 107 C 8 S 0.011765 -0.011427 -0.016417 0.062005 0.000571 108 C 8 S 0.571326 -0.298478 -0.646500 0.893472 0.891483 109 C 8 X -0.004566 0.121750 0.011719 -0.081771 -0.008298 110 C 8 Y 0.015016 0.009936 0.007076 0.026571 0.048754 111 C 8 Z 0.009189 -0.063577 -0.005700 0.000333 0.004096 112 C 8 X 0.072351 0.670565 -0.053601 -0.153526 0.011730 113 C 8 Y -0.128252 0.138961 0.198740 0.055668 -0.140431 114 C 8 Z 0.006794 -0.211294 0.104121 0.065246 0.053571 115 C 8 XX -0.006674 0.001880 0.001576 -0.005777 -0.008675 116 C 8 YY 0.013329 0.002665 -0.006734 0.008702 0.019380 117 C 8 ZZ -0.006655 -0.004545 0.005158 -0.002925 -0.010706 118 C 8 XY -0.010797 -0.000740 -0.003723 -0.004261 -0.007354 119 C 8 XZ -0.002095 0.010343 -0.000140 -0.003037 -0.004139 120 C 8 YZ 0.002831 -0.004201 -0.002626 0.004115 0.004405 121 C 9 S -0.006345 0.001544 -0.011967 0.003738 -0.007465 122 C 9 S -0.001453 0.009291 0.036250 -0.013830 -0.062305 123 C 9 S 0.108144 -0.120954 0.463168 -0.107807 0.039035 124 C 9 X 0.008451 0.037235 -0.046023 0.006223 -0.015199 125 C 9 Y -0.055947 0.023462 -0.018611 -0.056080 -0.025572 126 C 9 Z 0.005510 -0.027410 0.036072 -0.043776 -0.072857 127 C 9 X -0.089649 0.058331 -0.061312 -0.019285 -0.178562 128 C 9 Y -0.124594 0.052766 -0.007395 -0.098915 -0.063090 129 C 9 Z 0.056903 -0.295125 0.131418 -0.137723 -0.147090 130 C 9 XX 0.011051 0.007917 -0.002952 0.012408 0.008826 131 C 9 YY 0.003636 -0.013326 0.004298 -0.006846 0.000594 132 C 9 ZZ -0.014687 0.005410 -0.001345 -0.005562 -0.009420 133 C 9 XY -0.006045 0.005329 0.020063 -0.004894 0.001392 134 C 9 XZ -0.009281 0.004561 0.004147 0.001431 -0.002874 135 C 9 YZ 0.004885 -0.003968 -0.003024 0.001133 0.003855 136 C 10 S -0.008392 -0.002029 -0.004063 0.008798 -0.005180 137 C 10 S -0.036364 -0.006798 -0.000655 -0.045292 0.023408 138 C 10 S -0.019458 -0.098506 -0.062455 -0.359668 0.502839 139 C 10 X -0.033522 0.075531 -0.040432 0.012790 -0.016283 140 C 10 Y -0.032657 -0.007411 0.009415 -0.027639 -0.083324 141 C 10 Z -0.068083 0.016635 -0.043952 0.050999 0.006872 142 C 10 X -0.238649 -0.093501 -0.180545 0.353377 0.126825 143 C 10 Y -0.022061 -0.068492 0.030644 -0.130219 -0.389160 144 C 10 Z -0.095411 0.067925 -0.095077 0.032846 -0.074821 145 C 10 XX 0.000005 0.026191 -0.013187 0.018455 0.011428 146 C 10 YY -0.012557 -0.027363 0.008354 -0.004416 -0.002295 147 C 10 ZZ 0.012552 0.001172 0.004833 -0.014039 -0.009133 148 C 10 XY 0.000032 -0.008093 -0.001796 0.024416 0.000515 149 C 10 XZ 0.000307 0.004619 0.007516 0.007183 -0.001450 150 C 10 YZ 0.001136 -0.005170 -0.000930 -0.004648 0.001626 151 C 11 S -0.013501 -0.005516 -0.005981 0.015770 0.006581 152 C 11 S -0.036221 -0.077970 0.015602 0.003053 0.022735 153 C 11 S 0.218222 -0.104982 0.323716 -0.708123 -0.041939 154 C 11 X -0.012864 0.024551 -0.028095 0.041057 -0.023794 155 C 11 Y -0.017271 -0.044831 0.011590 0.002480 -0.042345 156 C 11 Z -0.023908 0.087715 0.013445 0.032955 0.005142 157 C 11 X 0.039605 0.072659 0.117877 -0.187382 0.083752 158 C 11 Y -0.068119 -0.208290 0.065907 0.280415 -0.494527 159 C 11 Z -0.062425 0.110041 0.089862 0.087932 0.070295 160 C 11 XX -0.006566 0.006166 -0.004211 0.012994 -0.014872 161 C 11 YY 0.003962 -0.004450 0.006559 -0.012225 0.023219 162 C 11 ZZ 0.002603 -0.001716 -0.002348 -0.000769 -0.008347 163 C 11 XY -0.001072 0.016147 -0.003664 -0.013371 0.003329 164 C 11 XZ -0.007356 0.002060 -0.003439 0.007463 -0.008237 165 C 11 YZ -0.002388 0.001689 -0.000732 0.006460 -0.000005 166 C 12 S -0.006959 0.011043 -0.002532 0.000721 -0.005188 167 C 12 S -0.014865 0.031292 -0.016814 -0.041855 0.043872 168 C 12 S -0.071983 -0.071472 -0.071350 0.006730 0.463536 169 C 12 X -0.013538 0.078307 -0.060880 0.093688 -0.014272 170 C 12 Y -0.020800 -0.041800 0.041635 -0.100153 -0.032890 171 C 12 Z 0.022852 -0.084678 -0.045708 -0.059490 -0.044138 172 C 12 X -0.086322 0.044460 -0.139297 0.328872 -0.072702 173 C 12 Y -0.017585 -0.139241 0.054965 -0.147253 -0.089010 174 C 12 Z 0.181359 -0.117694 -0.020554 -0.176305 -0.183926 175 C 12 XX -0.005932 -0.020374 0.008604 -0.031387 0.005711 176 C 12 YY 0.002329 -0.002594 -0.013833 0.016938 -0.006329 177 C 12 ZZ 0.003603 0.022968 0.005230 0.014449 0.000618 178 C 12 XY -0.003351 -0.003730 0.004931 -0.024700 -0.004680 179 C 12 XZ -0.010861 -0.003701 -0.007943 -0.000548 0.003420 180 C 12 YZ -0.005765 0.012228 0.006764 0.002348 -0.003090 181 C 13 S -0.007601 0.000486 0.004487 -0.005249 0.004419 182 C 13 S -0.018871 0.000305 0.016211 -0.049204 0.034063 183 C 13 S 0.111705 -0.009048 -0.057422 -0.045454 0.029193 184 C 13 X -0.027572 0.088439 -0.048297 0.201490 -0.092605 185 C 13 Y -0.037257 -0.020871 0.003914 0.008596 -0.096315 186 C 13 Z 0.056157 -0.102721 -0.011957 -0.090865 -0.021383 187 C 13 X 0.009670 0.189242 -0.117887 0.426837 -0.234078 188 C 13 Y -0.068915 -0.082332 0.032110 -0.048684 -0.323695 189 C 13 Z 0.002853 -0.179862 -0.055298 -0.008730 -0.025278 190 C 13 XX -0.012084 0.021653 -0.009070 0.052176 -0.017457 191 C 13 YY -0.002087 -0.004487 0.014948 -0.032008 0.024808 192 C 13 ZZ 0.014171 -0.017166 -0.005877 -0.020168 -0.007351 193 C 13 XY 0.004253 0.008605 -0.000890 0.009048 0.010308 194 C 13 XZ 0.006856 -0.007869 -0.002642 -0.010622 0.001394 195 C 13 YZ -0.001611 -0.001127 -0.000637 -0.001164 0.004404 196 C 14 S -0.005168 0.011418 0.002141 0.002171 0.004261 197 C 14 S -0.019560 0.035394 0.011909 -0.053951 0.035988 198 C 14 S -0.072468 -0.098004 0.108038 -0.290903 -0.020198 199 C 14 X -0.023705 0.072656 -0.043713 0.060704 -0.040308 200 C 14 Y -0.034127 -0.009959 -0.003989 0.072019 -0.138875 201 C 14 Z 0.052545 -0.037188 0.013542 -0.057542 0.023078 202 C 14 X -0.042036 0.089147 -0.116736 0.256937 -0.059778 203 C 14 Y -0.144291 -0.048393 0.035183 0.051783 -0.268334 204 C 14 Z 0.174325 -0.072054 0.034496 -0.092704 0.040151 205 C 14 XX 0.003677 -0.009644 0.009658 -0.030183 0.032372 206 C 14 YY -0.000092 0.001905 -0.006074 0.014518 -0.014737 207 C 14 ZZ -0.003585 0.007739 -0.003584 0.015665 -0.017635 208 C 14 XY -0.005255 -0.006302 0.000418 0.013084 -0.012231 209 C 14 XZ -0.001149 0.008994 0.002770 -0.003147 0.011045 210 C 14 YZ 0.008709 -0.011067 -0.000972 -0.007711 -0.005384 211 F 15 S 0.003515 -0.001855 0.000385 -0.003356 -0.000811 212 F 15 S -0.013081 0.027630 0.004260 0.044172 0.003102 213 F 15 S -0.106458 0.118418 0.004641 0.201145 0.025260 214 F 15 X -0.013786 -0.009742 0.021715 -0.008497 0.027392 215 F 15 Y 0.021835 -0.007537 -0.012718 -0.000929 0.004134 216 F 15 Z 0.005577 -0.058639 -0.013400 -0.085394 0.015184 217 F 15 X -0.005823 -0.007590 0.032185 -0.017026 0.026929 218 F 15 Y 0.016785 0.004250 -0.017879 0.013873 0.005534 219 F 15 Z 0.042649 -0.079570 -0.004014 -0.132973 0.011644 220 F 15 XX 0.000490 0.000648 0.000214 -0.000665 -0.000671 221 F 15 YY 0.000845 -0.000007 0.000041 0.001135 -0.000428 222 F 15 ZZ -0.001335 -0.000641 -0.000256 -0.000470 0.001099 223 F 15 XY -0.000226 -0.001200 0.000506 -0.001632 -0.000009 224 F 15 XZ 0.001187 -0.000962 0.001873 -0.002045 0.000199 225 F 15 YZ 0.000327 -0.000177 -0.000939 0.000834 0.000675 226 F 16 S -0.002945 -0.001315 0.000072 0.000082 0.002936 227 F 16 S 0.000857 0.015535 -0.018054 0.039729 -0.007378 228 F 16 S 0.048276 0.077498 -0.059855 0.128226 -0.076748 229 F 16 X 0.002051 0.003586 0.001913 -0.017287 0.008536 230 F 16 Y -0.018860 0.014821 0.041938 -0.073131 0.033176 231 F 16 Z -0.000773 0.030532 -0.005555 0.054517 0.002442 232 F 16 X 0.012582 0.001629 0.004326 -0.020556 0.006513 233 F 16 Y -0.030941 -0.009144 0.041876 -0.074954 0.057441 234 F 16 Z -0.015239 0.055116 -0.013180 0.086982 -0.001861 235 F 16 XX 0.000294 -0.001576 0.000101 -0.000650 -0.000625 236 F 16 YY -0.000418 0.001925 0.000589 0.000596 0.001547 237 F 16 ZZ 0.000124 -0.000349 -0.000690 0.000054 -0.000921 238 F 16 XY 0.000342 -0.003167 0.000158 -0.001519 0.000364 239 F 16 XZ -0.000457 0.000351 -0.000501 -0.000209 -0.000703 240 F 16 YZ -0.000047 0.000688 -0.000235 0.002002 0.000198 241 F 17 S -0.001352 0.001098 -0.001007 -0.000200 0.002075 242 F 17 S -0.007340 -0.007144 -0.002802 0.022763 -0.037775 243 F 17 S -0.005001 -0.037157 0.006928 0.079006 -0.155407 244 F 17 X -0.006559 -0.016614 0.022643 -0.028553 0.010026 245 F 17 Y 0.023441 -0.028635 -0.003698 0.047895 -0.051655 246 F 17 Z -0.015327 -0.000182 -0.009826 0.047368 -0.069965 247 F 17 X 0.002321 -0.017252 0.026134 -0.038041 0.005770 248 F 17 Y 0.028945 -0.032683 0.001910 0.047086 -0.064534 249 F 17 Z -0.033365 -0.001306 -0.007388 0.072364 -0.094411 250 F 17 XX 0.001178 -0.000506 -0.000007 -0.001359 0.001803 251 F 17 YY -0.001577 0.000578 -0.000052 0.002108 -0.002492 252 F 17 ZZ 0.000399 -0.000072 0.000059 -0.000748 0.000688 253 F 17 XY -0.001034 0.001313 -0.000991 0.000709 -0.001419 254 F 17 XZ 0.000013 0.001182 -0.000384 0.000548 0.000807 255 F 17 YZ -0.000452 -0.000154 0.000680 -0.001497 0.001377 256 F 18 S 0.003343 -0.002179 0.001495 -0.002746 0.002772 257 F 18 S -0.019703 0.010287 -0.007800 0.040518 -0.028647 258 F 18 S -0.122207 0.067193 -0.049227 0.179142 -0.130018 259 F 18 X -0.013263 -0.024409 0.005043 -0.007609 -0.008794 260 F 18 Y -0.017816 0.025762 -0.009269 0.041329 0.012187 261 F 18 Z 0.026645 -0.018966 0.019690 -0.086070 0.072840 262 F 18 X -0.015196 -0.023770 0.008440 -0.010743 -0.015165 263 F 18 Y -0.011573 0.035635 -0.015003 0.036532 0.015216 264 F 18 Z 0.056323 -0.034890 0.030361 -0.125213 0.098758 265 F 18 XX 0.000293 0.000799 0.000019 -0.000309 0.001257 266 F 18 YY 0.000361 -0.000952 -0.000330 0.001420 -0.002808 267 F 18 ZZ -0.000654 0.000153 0.000311 -0.001111 0.001551 268 F 18 XY -0.000452 0.000974 0.000049 0.000790 -0.001403 269 F 18 XZ 0.000332 -0.001375 0.000760 -0.000737 0.000088 270 F 18 YZ 0.000346 0.000636 -0.000269 0.000716 0.000593 271 C 19 S 0.007778 0.024167 -0.009556 0.009315 0.018682 272 C 19 S -0.010975 0.007667 -0.003657 -0.008489 -0.006613 273 C 19 S -0.224562 -0.623358 0.165832 -0.238501 -0.433513 274 C 19 X -0.047533 -0.129533 0.031853 0.039358 -0.059558 275 C 19 Y 0.048426 0.006702 -0.010956 0.026834 0.033559 276 C 19 Z -0.008847 0.059783 -0.001129 -0.005675 -0.010889 277 C 19 X -0.263491 -0.467933 0.095634 0.201963 -0.249021 278 C 19 Y 0.296170 0.300525 -0.126752 0.203641 0.353659 279 C 19 Z -0.035948 0.384455 -0.014445 -0.003727 -0.036170 280 C 19 XX 0.003932 -0.019674 0.002323 0.013461 0.007688 281 C 19 YY -0.002879 0.006596 0.000693 -0.008773 -0.006338 282 C 19 ZZ -0.001053 0.013078 -0.003016 -0.004687 -0.001350 283 C 19 XY 0.003468 -0.002568 -0.001261 0.005064 0.004738 284 C 19 XZ 0.000907 -0.000322 0.001140 0.002046 0.002062 285 C 19 YZ -0.001781 0.009297 0.001095 -0.001247 -0.001018 286 H 20 S 0.031864 -0.031544 0.005846 0.026895 0.041165 287 H 20 S 0.609114 0.918883 -0.262790 -0.043224 0.740703 288 H 20 X -0.004275 -0.013023 0.002307 0.003801 -0.004125 289 H 20 Y 0.005543 -0.003300 -0.000730 0.006571 0.008491 290 H 20 Z 0.000546 -0.000718 -0.000101 0.000832 0.001171 291 H 21 S -0.024268 0.021917 0.006423 -0.020649 -0.035200 292 H 21 S -0.275861 0.218197 0.051275 -0.024808 -0.227675 293 H 21 X 0.000258 0.001197 -0.000515 0.000201 -0.000714 294 H 21 Y 0.000915 -0.003088 0.000867 -0.001264 -0.000838 295 H 21 Z -0.002123 -0.001329 0.001577 0.000822 -0.001500 296 C 22 S 0.015305 0.004156 0.007272 -0.024323 0.014778 297 C 22 S -0.005236 -0.001224 0.010969 -0.004762 -0.005871 298 C 22 S -0.371362 -0.123043 -0.102823 0.590491 -0.377664 299 C 22 X -0.082148 0.015231 0.037879 -0.071480 0.039963 300 C 22 Y -0.040932 0.007643 0.091309 -0.059519 -0.025237 301 C 22 Z -0.104330 -0.038396 -0.051212 -0.022612 0.023256 302 C 22 X -0.357562 0.100262 0.261400 -0.488341 0.294763 303 C 22 Y -0.340179 0.008682 0.343728 -0.060156 -0.211880 304 C 22 Z -0.527402 -0.174051 -0.219956 -0.056717 0.120235 305 C 22 XX -0.003562 -0.001904 0.003666 0.003859 -0.008068 306 C 22 YY 0.004539 0.002557 -0.011298 0.001271 0.012664 307 C 22 ZZ -0.000977 -0.000653 0.007631 -0.005131 -0.004596 308 C 22 XY 0.004199 0.002142 -0.009104 0.001721 0.008709 309 C 22 XZ -0.008603 -0.002174 -0.004151 -0.001857 0.005390 310 C 22 YZ 0.004070 0.000762 0.001285 0.001081 -0.002654 311 H 23 S -0.019776 0.010831 -0.020879 -0.004948 0.040053 312 H 23 S -0.543007 0.167299 0.579901 -0.817837 0.328246 313 H 23 X -0.002110 0.001788 0.000693 -0.007169 0.007767 314 H 23 Y -0.005876 -0.000147 0.009334 -0.005277 -0.005390 315 H 23 Z -0.000389 -0.000290 0.000239 -0.000265 -0.000650 316 H 24 S 0.020657 -0.001566 0.024910 0.008012 -0.036923 317 H 24 S 1.018919 0.163869 0.163775 0.273878 -0.268148 318 H 24 X -0.008285 -0.001372 0.000144 0.000782 -0.000359 319 H 24 Y 0.002074 0.000569 0.000355 0.000382 -0.000139 320 H 24 Z -0.007320 -0.001508 0.000251 -0.003265 0.001386 321 H 25 S -0.010444 -0.012273 0.011972 0.008481 -0.038322 322 H 25 S -0.233246 -0.258651 -0.424587 0.059786 0.058884 323 H 25 X 0.001658 0.000732 0.002258 0.001671 -0.004171 324 H 25 Y -0.001251 0.000137 -0.000731 0.000217 0.001998 325 H 25 Z -0.003953 -0.001605 -0.005323 0.001254 0.002672 326 C 26 S -0.010226 0.016014 -0.005662 0.005200 0.009633 327 C 26 S -0.012677 0.005938 -0.010367 -0.011109 -0.011579 328 C 26 S 0.189590 -0.377625 0.052526 -0.154024 -0.305248 329 C 26 X 0.077189 0.004580 -0.163374 -0.061244 -0.093025 330 C 26 Y -0.040579 0.168507 0.056061 0.009942 -0.016943 331 C 26 Z -0.042033 -0.014245 -0.016905 -0.022599 0.002878 332 C 26 X 0.315821 0.008126 -0.747704 -0.243268 -0.383039 333 C 26 Y -0.145486 0.734507 0.231623 0.045030 -0.034575 334 C 26 Z -0.074995 -0.208168 -0.042079 -0.126363 -0.050405 335 C 26 XX 0.002412 -0.004743 -0.009515 -0.001763 -0.000924 336 C 26 YY -0.005900 0.003773 0.006264 -0.000175 -0.000215 337 C 26 ZZ 0.003488 0.000970 0.003251 0.001938 0.001139 338 C 26 XY -0.004231 -0.005792 0.009726 0.002657 0.006182 339 C 26 XZ 0.001561 0.000475 -0.000600 0.003345 0.004287 340 C 26 YZ -0.004041 -0.003943 -0.004320 -0.004653 -0.002995 341 H 27 S -0.012065 0.019065 -0.026898 -0.006130 -0.007196 342 H 27 S 0.118238 0.827606 -0.663342 -0.220972 -0.425709 343 H 27 X -0.000520 0.007179 -0.005058 -0.000720 -0.003513 344 H 27 Y 0.002020 0.006824 -0.007152 -0.002579 -0.002312 345 H 27 Z 0.000127 0.003116 -0.000216 -0.001493 -0.001099 346 H 28 S 0.017739 -0.037595 -0.006846 0.004163 -0.004392 347 H 28 S 0.230963 -1.026282 -0.556099 -0.132440 0.072447 348 H 28 X -0.000392 -0.003140 0.001767 -0.000508 0.000579 349 H 28 Y -0.002965 0.010508 0.005018 0.000969 -0.000699 350 H 28 Z -0.003261 -0.004516 -0.004754 -0.003381 -0.002621 351 H 29 S -0.007763 0.024368 0.018549 -0.011195 0.007288 352 H 29 S -0.662450 0.468629 1.183399 0.391820 0.633417 353 H 29 X 0.006928 -0.005061 -0.013653 -0.003232 -0.006042 354 H 29 Y -0.003269 0.000775 0.005292 0.002409 0.003530 355 H 29 Z -0.000550 0.000395 0.000866 0.001690 0.002575 356 C 30 S 0.008451 -0.005347 0.004489 -0.004790 0.010996 357 C 30 S 0.012376 -0.007108 0.000884 -0.008885 0.002496 358 C 30 S -0.121553 0.081265 -0.138893 0.048491 -0.245932 359 C 30 X 0.119266 0.047092 -0.064818 -0.103309 -0.107886 360 C 30 Y -0.169876 0.000429 -0.168619 -0.047727 0.039387 361 C 30 Z 0.003005 0.030757 -0.003758 -0.016913 -0.025483 362 C 30 X 0.581865 0.188500 -0.165272 -0.578845 -0.536529 363 C 30 Y -0.753501 -0.038517 -0.834290 -0.200769 0.329987 364 C 30 Z 0.063402 0.094754 0.043870 -0.102135 -0.027477 365 C 30 XX -0.006281 0.001036 -0.008455 0.002083 0.004812 366 C 30 YY 0.004390 -0.000783 0.006308 -0.001936 -0.006155 367 C 30 ZZ 0.001891 -0.000253 0.002147 -0.000147 0.001344 368 C 30 XY 0.008635 0.000602 -0.009028 -0.008877 -0.006703 369 C 30 XZ 0.001145 -0.002027 0.005129 -0.007604 -0.001205 370 C 30 YZ 0.001081 -0.001415 -0.004303 0.002301 0.006050 371 H 31 S -0.045600 0.000215 -0.032568 -0.015884 0.003292 372 H 31 S -1.116998 -0.107267 -1.086930 -0.180484 0.538551 373 H 31 X -0.000378 0.000408 0.003582 0.000852 0.000262 374 H 31 Y -0.009332 -0.000234 -0.010949 -0.001511 0.006984 375 H 31 Z 0.003019 0.002449 0.005070 -0.001112 -0.004072 376 H 32 S 0.038698 0.014834 0.008425 0.008077 -0.012026 377 H 32 S 1.353097 0.187330 0.315930 -0.521121 -0.761432 378 H 32 X 0.013936 -0.000992 0.003482 -0.008964 -0.007976 379 H 32 Y -0.008338 -0.001949 -0.000038 0.004743 0.004316 380 H 32 Z -0.003734 0.000541 -0.003977 0.003206 0.002326 381 H 33 S 0.010371 -0.007050 0.019231 0.019691 0.008715 382 H 33 S -0.041675 -0.327916 1.075941 0.876843 0.528898 383 H 33 X 0.001038 0.003348 -0.012364 -0.006176 -0.003045 384 H 33 Y 0.000112 0.002965 -0.005991 -0.007728 -0.005444 385 H 33 Z -0.000660 -0.000893 0.001665 -0.003406 -0.001255 386 H 34 S -0.023870 0.020691 -0.008039 -0.036238 -0.038074 387 H 34 S -0.138672 -0.568470 0.041047 0.058384 -0.093161 388 H 34 X 0.000331 0.001329 -0.000478 0.000018 -0.000342 389 H 34 Y -0.000870 0.006333 0.000654 -0.002305 -0.002403 390 H 34 Z 0.000748 0.008806 -0.000286 -0.001349 0.000658 391 F 35 S -0.000310 -0.003447 0.000531 -0.003608 0.003749 392 F 35 S -0.013636 0.030783 -0.017847 0.078659 -0.034273 393 F 35 S -0.036904 0.156109 -0.066295 0.316520 -0.175005 394 F 35 X -0.028600 0.071668 -0.027863 0.148713 -0.065492 395 F 35 Y 0.011479 0.021746 -0.005585 0.022055 0.036255 396 F 35 Z -0.009763 0.009406 0.014993 -0.028774 0.033822 397 F 35 X -0.035196 0.094698 -0.035292 0.188453 -0.094247 398 F 35 Y 0.011420 0.025780 -0.008360 0.031500 0.048310 399 F 35 Z -0.003387 0.006447 0.024417 -0.061415 0.052070 400 F 35 XX 0.000832 -0.001174 -0.000450 -0.001263 -0.000306 401 F 35 YY -0.000374 -0.000072 0.000782 -0.001006 0.000825 402 F 35 ZZ -0.000458 0.001246 -0.000332 0.002269 -0.000519 403 F 35 XY -0.000650 -0.000840 0.000002 -0.000365 -0.002198 404 F 35 XZ 0.000764 -0.001211 -0.000422 0.000110 -0.001063 405 F 35 YZ 0.000379 0.000136 -0.000116 -0.000218 0.000989 406 F 36 S 0.001589 0.001944 0.000850 -0.001281 -0.000412 407 F 36 S 0.016350 -0.023964 -0.006291 -0.003056 -0.013484 408 F 36 S 0.020162 -0.112762 -0.032658 0.011676 -0.031437 409 F 36 X 0.010785 -0.045942 0.019050 -0.071458 0.038086 410 F 36 Y 0.004398 0.012117 -0.008561 0.003542 0.024351 411 F 36 Z 0.035821 -0.049626 -0.018781 -0.017251 -0.025153 412 F 36 X 0.017807 -0.050133 0.023867 -0.108925 0.048924 413 F 36 Y 0.009292 0.018086 -0.007132 0.001524 0.041704 414 F 36 Z 0.030640 -0.066043 -0.018663 0.000882 -0.028212 415 F 36 XX 0.000763 0.000021 -0.000656 0.000377 -0.001549 416 F 36 YY 0.000379 -0.000706 0.000512 -0.002234 0.001540 417 F 36 ZZ -0.001142 0.000685 0.000144 0.001857 0.000008 418 F 36 XY 0.000467 0.000260 0.000409 -0.000099 0.001370 419 F 36 XZ -0.000796 0.001981 -0.000750 0.004607 -0.001729 420 F 36 YZ -0.000465 -0.000663 0.000286 -0.000423 -0.001621 421 C 37 S -0.002444 0.003876 -0.005900 -0.003111 -0.011553 422 C 37 S 0.037276 0.024981 0.030620 0.010151 0.058437 423 C 37 S 0.148558 0.057245 0.398121 0.137127 0.443402 424 C 37 X 0.045977 0.009095 -0.021994 0.030076 0.070707 425 C 37 Y -0.001737 -0.002762 -0.012289 -0.017956 -0.037475 426 C 37 Z -0.012988 0.075845 -0.046239 -0.047485 -0.035994 427 C 37 X 0.299744 -0.131761 -0.076129 0.204106 0.533563 428 C 37 Y -0.354084 -0.088786 0.349798 -0.274127 -0.513738 429 C 37 Z -0.051935 0.249497 -0.094683 -0.114591 -0.128166 430 C 37 XX 0.002532 -0.010461 -0.000610 -0.007346 -0.003695 431 C 37 YY -0.002077 0.010873 0.001301 -0.000468 -0.009257 432 C 37 ZZ -0.000455 -0.000412 -0.000691 0.007814 0.012952 433 C 37 XY 0.002165 0.012148 -0.002099 -0.010229 -0.002167 434 C 37 XZ 0.000015 0.006289 0.001134 0.001277 0.000244 435 C 37 YZ 0.002687 0.000055 0.000828 -0.002009 -0.002445 436 S 38 S -0.001409 -0.009370 -0.000350 0.010676 0.006468 437 S 38 S -0.012548 -0.053742 -0.001189 0.070045 0.043400 438 S 38 S -0.049065 0.104446 0.014953 0.005279 0.022206 439 S 38 S -0.077771 1.080751 0.050559 -0.646151 -0.359926 440 S 38 X -0.000005 -0.006016 -0.002016 -0.000128 -0.000487 441 S 38 Y 0.000274 0.007151 -0.000545 -0.004826 -0.003440 442 S 38 Z -0.002800 -0.001187 -0.000558 0.001904 0.003472 443 S 38 X -0.021379 0.015678 0.043734 -0.081808 -0.045924 444 S 38 Y 0.015136 -0.096120 0.009499 0.020990 -0.020689 445 S 38 Z -0.029523 0.003354 -0.029471 0.002311 0.008045 446 S 38 X -0.054249 0.438689 0.216267 -0.321371 -0.173098 447 S 38 Y 0.066240 -0.737218 0.006479 0.355528 0.187040 448 S 38 Z -0.005765 0.052445 -0.077847 -0.042977 -0.077230 449 S 38 XX -0.000427 -0.012438 -0.010908 0.034563 0.001110 450 S 38 YY 0.005924 -0.026341 0.018414 0.010824 0.015699 451 S 38 ZZ -0.005497 0.038779 -0.007506 -0.045387 -0.016810 452 S 38 XY 0.013946 0.003919 0.034996 0.009739 0.007959 453 S 38 XZ 0.009384 -0.031936 0.004638 0.012626 0.010435 454 S 38 YZ -0.010123 -0.004657 -0.021349 -0.000125 -0.011992 455 S 38 XX 0.000454 -0.003954 -0.002954 0.006103 0.000624 456 S 38 YY 0.001132 -0.007771 0.003195 0.003753 0.003823 457 S 38 ZZ -0.001586 0.011725 -0.000241 -0.009856 -0.004447 458 S 38 XY 0.002189 0.001929 0.006914 0.001091 0.000693 459 S 38 XZ 0.001352 -0.005325 0.001013 0.002160 0.001734 460 S 38 YZ -0.001075 -0.000804 -0.003597 -0.000234 -0.002511 461 H 39 S -0.024318 -0.057492 -0.009878 -0.019812 -0.057409 462 H 39 S -0.592410 -0.123852 -0.039997 -0.395754 -1.108879 463 H 39 X 0.004232 -0.001546 -0.001667 -0.000814 0.002476 464 H 39 Y 0.001281 0.006886 -0.002304 -0.006456 -0.004436 465 H 39 Z 0.001106 0.003721 -0.000874 0.000109 0.000183 126 127 128 129 130 0.3156 0.3427 0.3483 0.3522 0.3645 A A A A A 1 C 1 S 0.011196 -0.018080 -0.013407 0.016679 0.004568 2 C 1 S -0.000421 0.059842 0.043587 0.049093 -0.054444 3 C 1 S -0.496289 1.297449 0.745960 -0.042069 -0.528971 4 C 1 X 0.069928 0.006576 0.002074 -0.005498 -0.024959 5 C 1 Y 0.096521 0.009857 -0.021850 -0.029317 0.184268 6 C 1 Z 0.010706 0.002878 0.008018 0.031930 0.006814 7 C 1 X 0.249339 -0.295693 -0.020167 0.242875 -0.897056 8 C 1 Y 0.613726 -0.056372 -0.659895 -0.773616 2.022379 9 C 1 Z 0.029277 0.002710 -0.022662 -0.038444 0.169843 10 C 1 XX -0.005170 -0.003842 0.005964 0.006961 -0.005235 11 C 1 YY 0.001524 0.017067 -0.008262 -0.004180 0.004680 12 C 1 ZZ 0.003647 -0.013225 0.002298 -0.002781 0.000555 13 C 1 XY -0.006766 -0.017121 -0.012428 -0.002225 -0.017338 14 C 1 XZ -0.001613 -0.010510 0.002556 -0.002904 0.000619 15 C 1 YZ 0.002357 0.009467 -0.005410 0.003517 0.003435 16 C 2 S 0.004939 0.016409 -0.012971 -0.002460 0.005371 17 C 2 S 0.036133 0.002948 -0.014979 0.026902 0.056585 18 C 2 S 0.091827 -0.440231 0.378810 0.774753 -0.394450 19 C 2 X -0.002306 -0.040385 -0.007730 0.033168 -0.048673 20 C 2 Y 0.065943 0.010971 0.054664 0.059912 0.044294 21 C 2 Z -0.002989 0.029434 -0.027563 0.031018 -0.002502 22 C 2 X 0.276134 -0.592581 -0.233660 0.184285 -0.733346 23 C 2 Y -0.219300 0.253660 0.895839 0.770679 -0.535330 24 C 2 Z -0.014432 0.120547 0.038279 0.040598 -0.055973 25 C 2 XX -0.000897 0.005531 0.004844 0.006165 0.008073 26 C 2 YY 0.000144 -0.004383 -0.006170 0.004232 -0.016399 27 C 2 ZZ 0.000754 -0.001148 0.001326 -0.010397 0.008325 28 C 2 XY 0.028332 -0.003474 -0.013377 -0.005654 0.030637 29 C 2 XZ 0.004064 0.005695 -0.002785 0.001043 0.000363 30 C 2 YZ -0.000214 -0.003455 -0.002405 0.000740 0.003148 31 C 3 S -0.001435 0.021183 0.003769 -0.001353 0.003239 32 C 3 S 0.019895 -0.002367 -0.035234 0.009563 -0.142350 33 C 3 S 0.428216 -0.667210 -0.649473 0.043891 -0.666828 34 C 3 X 0.047156 -0.091623 -0.039915 0.034572 -0.056321 35 C 3 Y 0.058287 -0.023177 0.012883 0.019686 0.015008 36 C 3 Z -0.022348 -0.057080 0.003668 0.023879 0.036603 37 C 3 X 0.080014 -0.158229 0.096443 -0.157607 -0.229956 38 C 3 Y -0.006115 0.028352 0.665276 0.888375 -0.278863 39 C 3 Z -0.076629 -0.332890 0.197830 -0.077058 0.121932 40 C 3 XX -0.008981 0.012936 -0.003885 -0.001760 -0.002517 41 C 3 YY 0.016839 0.000726 0.004463 0.011846 0.012799 42 C 3 ZZ -0.007858 -0.013661 -0.000578 -0.010086 -0.010283 43 C 3 XY -0.035296 0.016443 0.020708 0.001007 -0.018402 44 C 3 XZ -0.001198 0.000610 -0.002319 -0.004739 -0.003898 45 C 3 YZ 0.000195 0.001383 -0.000815 -0.002198 -0.000706 46 C 4 S -0.019583 -0.042596 0.005764 -0.024872 -0.009709 47 C 4 S -0.045087 0.063132 0.039874 0.061076 -0.023487 48 C 4 S 0.391551 1.547020 0.059237 0.925787 -0.025949 49 C 4 X 0.151497 -0.056840 0.002422 0.056206 -0.026229 50 C 4 Y 0.010734 -0.035246 0.020777 0.114766 -0.039470 51 C 4 Z 0.073755 0.130612 -0.109579 0.111909 -0.059427 52 C 4 X 0.602555 -0.079258 0.196114 0.316113 0.061757 53 C 4 Y -0.013160 -0.433627 0.520118 0.419607 -0.827225 54 C 4 Z 0.346744 1.139447 -0.625689 0.923527 -0.612467 55 C 4 XX 0.006805 -0.012950 -0.000248 0.013858 -0.000590 56 C 4 YY 0.003355 0.005680 -0.017076 -0.021346 0.013621 57 C 4 ZZ -0.010160 0.007270 0.017324 0.007489 -0.013031 58 C 4 XY 0.003151 -0.026844 -0.012317 -0.000024 -0.039705 59 C 4 XZ -0.000695 0.008187 0.001573 -0.002251 -0.003685 60 C 4 YZ 0.001319 0.011657 -0.009327 0.013279 0.004955 61 S 5 S 0.009778 0.011866 -0.002997 -0.003135 0.014010 62 S 5 S 0.064704 0.084222 -0.021099 -0.019021 0.091632 63 S 5 S 0.018180 0.102455 -0.029527 0.013335 0.024249 64 S 5 S -0.654931 -0.312768 0.188995 0.345529 -1.046364 65 S 5 X -0.004569 -0.005037 0.004580 0.008087 -0.021714 66 S 5 Y 0.003669 0.000415 0.005805 0.001833 0.010437 67 S 5 Z 0.000988 0.004691 -0.004667 0.005656 0.001919 68 S 5 X 0.022910 0.016150 0.057940 0.035290 -0.080191 69 S 5 Y 0.042355 0.087401 0.051582 -0.011617 0.115329 70 S 5 Z -0.011938 0.004474 -0.035424 0.046202 0.001151 71 S 5 X 0.404741 0.290395 -0.097599 -0.317529 0.931098 72 S 5 Y 0.052080 0.192129 -0.155802 -0.241415 0.167475 73 S 5 Z -0.138156 -0.215430 0.065907 -0.071535 -0.100043 74 S 5 XX 0.007000 0.061612 -0.004802 -0.037847 0.089627 75 S 5 YY 0.024603 -0.039518 0.011668 0.054626 -0.073801 76 S 5 ZZ -0.031604 -0.022094 -0.006866 -0.016780 -0.015827 77 S 5 XY 0.009636 0.047662 -0.010315 -0.031581 0.028384 78 S 5 XZ -0.026434 -0.057504 0.015689 -0.014330 -0.009274 79 S 5 YZ 0.020025 0.026471 0.007936 0.013334 -0.009106 80 S 5 XX 0.002516 0.010088 -0.002284 -0.008622 0.021814 81 S 5 YY 0.004539 -0.005904 0.002931 0.008007 -0.013579 82 S 5 ZZ -0.007055 -0.004185 -0.000646 0.000615 -0.008234 83 S 5 XY 0.000988 0.007588 -0.004271 -0.008044 0.006690 84 S 5 XZ -0.005771 -0.011748 0.003725 -0.003533 -0.003372 85 S 5 YZ 0.004139 0.005697 0.000666 0.003784 -0.001225 86 H 6 S 0.077052 -0.002798 -0.028817 -0.016673 0.031008 87 H 6 S 0.170843 -0.108817 0.393620 0.477169 -0.819369 88 H 6 X -0.003582 -0.002712 0.000841 -0.001004 -0.012746 89 H 6 Y -0.002964 0.001069 0.006119 0.000637 0.000573 90 H 6 Z -0.000898 0.001561 -0.001337 0.002051 -0.000829 91 C 7 S 0.016523 0.012250 0.012066 -0.003673 -0.010298 92 C 7 S -0.024748 -0.019928 -0.042091 -0.031581 -0.055596 93 C 7 S -0.516319 -0.168478 -0.419601 -0.327452 -0.169535 94 C 7 X 0.045413 -0.144510 -0.003127 0.035177 -0.033348 95 C 7 Y -0.045246 0.057945 0.020751 -0.006445 0.041657 96 C 7 Z 0.047946 0.050821 0.023460 0.030534 -0.039294 97 C 7 X -0.129440 -1.041445 -0.353228 0.321418 -0.496072 98 C 7 Y -0.581299 -0.218668 0.324371 0.543417 0.181481 99 C 7 Z 0.205458 0.233738 0.389921 -0.170163 -0.067204 100 C 7 XX 0.020779 0.020198 0.003275 -0.014913 -0.011716 101 C 7 YY -0.011945 -0.013925 0.016248 0.009453 0.010855 102 C 7 ZZ -0.008834 -0.006273 -0.019523 0.005460 0.000861 103 C 7 XY -0.004653 -0.022763 0.023961 0.018059 -0.006816 104 C 7 XZ -0.004154 -0.009807 -0.008590 -0.003562 0.001202 105 C 7 YZ 0.004396 -0.003027 0.003204 -0.002490 -0.002959 106 C 8 S -0.000609 0.015727 0.026033 -0.003441 0.010951 107 C 8 S -0.034023 0.005142 -0.059024 -0.080963 -0.063402 108 C 8 S -0.171950 -0.783359 -1.127696 -0.576250 -0.958613 109 C 8 X 0.114074 -0.023426 -0.088939 -0.087496 -0.057503 110 C 8 Y 0.015702 0.042415 -0.076733 -0.058428 -0.031759 111 C 8 Z 0.043937 0.017917 0.001212 0.000762 -0.001339 112 C 8 X 0.475850 -0.046926 -0.899139 -0.847434 -0.398949 113 C 8 Y 0.361785 0.726854 -1.038181 -1.146541 -0.408857 114 C 8 Z 0.169253 0.081567 -0.213147 -0.156145 -0.006196 115 C 8 XX 0.008856 -0.001603 0.002408 -0.008361 -0.014726 116 C 8 YY -0.010823 -0.010279 -0.003355 0.000081 0.002389 117 C 8 ZZ 0.001967 0.011882 0.000947 0.008280 0.012338 118 C 8 XY -0.010166 -0.014040 0.007767 0.002718 -0.011301 119 C 8 XZ -0.002163 0.002472 0.012365 -0.001036 -0.005910 120 C 8 YZ 0.002557 -0.007248 0.002858 -0.002491 -0.002231 121 C 9 S -0.016054 -0.032907 -0.051888 0.020229 0.011168 122 C 9 S 0.049576 0.064027 -0.037686 -0.128159 -0.028024 123 C 9 S 0.650738 1.596244 1.572565 -1.063085 -0.236531 124 C 9 X -0.015102 -0.100134 -0.059256 -0.002040 -0.082324 125 C 9 Y 0.053390 0.079067 0.024885 0.047618 -0.061943 126 C 9 Z -0.001339 0.001627 -0.211533 0.081607 0.073817 127 C 9 X -0.087737 -0.368490 -0.312296 0.090070 -0.489360 128 C 9 Y 0.203337 0.249987 0.723237 0.243386 -0.104320 129 C 9 Z -0.208857 -0.023956 -1.413143 0.881797 0.963089 130 C 9 XX 0.000826 -0.025973 -0.009296 0.000556 0.004192 131 C 9 YY -0.009846 0.004094 0.013831 0.010863 0.005974 132 C 9 ZZ 0.009020 0.021879 -0.004535 -0.011419 -0.010166 133 C 9 XY -0.008377 0.013520 0.020875 0.009754 0.023148 134 C 9 XZ -0.001633 0.003269 0.002502 0.003742 -0.000427 135 C 9 YZ 0.000307 -0.006808 0.011416 -0.013113 -0.005098 136 C 10 S 0.020421 0.021893 0.006497 -0.007922 0.001264 137 C 10 S -0.002000 0.049088 0.029176 -0.012986 -0.050737 138 C 10 S -0.770221 -0.681640 0.164274 0.514880 -0.659001 139 C 10 X 0.008482 -0.027519 0.058409 0.057881 0.018157 140 C 10 Y 0.113394 -0.012296 0.029371 0.005307 0.000955 141 C 10 Z -0.039864 0.033117 -0.068777 0.028430 0.021279 142 C 10 X -0.266896 -0.546016 0.174115 0.758783 0.173383 143 C 10 Y 0.553531 -0.244886 -0.399778 -0.160757 -0.158222 144 C 10 Z -0.070039 0.084020 -0.151400 -0.084326 0.043436 145 C 10 XX -0.012702 -0.017242 -0.011691 0.008275 -0.005737 146 C 10 YY 0.024925 0.016832 0.016860 -0.000667 -0.001760 147 C 10 ZZ -0.012223 0.000411 -0.005168 -0.007608 0.007497 148 C 10 XY -0.032024 0.017834 -0.021346 -0.016745 -0.017195 149 C 10 XZ 0.001275 0.014185 0.007713 -0.001516 -0.003711 150 C 10 YZ 0.006723 -0.007185 0.014786 -0.000945 -0.000352 151 C 11 S 0.007420 0.007148 0.014784 0.016952 -0.005883 152 C 11 S 0.090266 0.040484 -0.002553 -0.017003 0.015378 153 C 11 S 0.427973 0.146889 -0.515663 -0.861576 -0.012782 154 C 11 X 0.047686 -0.009970 0.032288 0.036455 0.072236 155 C 11 Y 0.095149 0.012533 0.062630 0.033541 -0.011757 156 C 11 Z 0.035638 0.055512 -0.034025 0.037131 0.018542 157 C 11 X 0.244233 -0.038718 0.113559 -0.336302 0.417079 158 C 11 Y 0.623378 -0.025498 -0.294247 -0.150956 0.227298 159 C 11 Z 0.089565 0.129673 -0.039961 -0.023621 -0.023698 160 C 11 XX 0.025367 -0.008346 0.010774 0.008425 -0.014679 161 C 11 YY -0.023935 0.015427 -0.004693 -0.005643 0.002183 162 C 11 ZZ -0.001432 -0.007081 -0.006082 -0.002782 0.012496 163 C 11 XY 0.014731 -0.023407 0.005260 0.019899 0.015474 164 C 11 XZ -0.005752 -0.004383 0.003331 -0.002626 0.003960 165 C 11 YZ -0.005003 0.006109 -0.012513 0.001435 -0.002429 166 C 12 S 0.012168 -0.008418 0.003632 -0.005904 -0.001139 167 C 12 S 0.049445 -0.110272 -0.019160 0.021852 0.016732 168 C 12 S -0.216193 -0.486475 -0.252929 0.467899 0.205571 169 C 12 X 0.029252 -0.064345 0.045045 0.065057 0.064272 170 C 12 Y 0.218784 -0.075896 0.101653 0.045342 0.023617 171 C 12 Z -0.004684 -0.070349 -0.005082 -0.005066 0.026999 172 C 12 X 0.024476 -0.061082 0.326235 0.289846 0.306835 173 C 12 Y 0.406494 -0.043228 0.406403 0.060062 0.085003 174 C 12 Z 0.029046 -0.138785 0.162392 -0.042003 0.039278 175 C 12 XX 0.020103 -0.008725 -0.000363 -0.002483 -0.002210 176 C 12 YY -0.013349 0.001631 -0.002527 0.001216 0.004264 177 C 12 ZZ -0.006754 0.007094 0.002890 0.001267 -0.002053 178 C 12 XY 0.035640 -0.015389 0.017806 0.007844 0.010684 179 C 12 XZ 0.005018 -0.006323 -0.009124 0.004801 0.002689 180 C 12 YZ 0.016229 0.001086 0.008741 0.001616 0.004521 181 C 13 S 0.006268 -0.006233 -0.024329 -0.001637 -0.001269 182 C 13 S 0.020248 -0.009758 -0.017009 0.006358 0.039795 183 C 13 S -0.037038 0.151024 0.643606 0.140647 0.331691 184 C 13 X -0.063064 0.089435 0.080736 0.027012 0.077049 185 C 13 Y 0.139465 -0.015327 0.052002 0.012330 -0.008190 186 C 13 Z 0.037331 -0.048529 0.075731 0.014042 0.015869 187 C 13 X -0.207523 0.243868 0.331824 0.053662 0.169242 188 C 13 Y 0.448266 -0.115023 0.211778 0.003676 -0.019950 189 C 13 Z 0.111037 0.010849 0.238622 0.049568 0.057510 190 C 13 XX -0.009825 0.014800 0.006368 0.002300 0.000361 191 C 13 YY 0.008168 -0.005054 -0.013259 -0.004723 -0.006474 192 C 13 ZZ 0.001657 -0.009746 0.006891 0.002423 0.006113 193 C 13 XY -0.023470 0.006435 -0.007990 -0.003874 0.002972 194 C 13 XZ 0.000851 -0.003559 -0.002679 -0.000186 -0.004815 195 C 13 YZ -0.014140 -0.002165 -0.009921 -0.004821 0.001864 196 C 14 S -0.002126 -0.000257 0.003539 0.007853 -0.008741 197 C 14 S 0.060485 -0.077823 0.018502 0.071882 -0.034492 198 C 14 S 0.651432 -0.466016 -0.044006 0.045919 0.143805 199 C 14 X 0.006337 -0.059714 0.053627 0.080322 0.042594 200 C 14 Y 0.154418 0.008624 0.037339 -0.007828 -0.035324 201 C 14 Z 0.056565 0.010669 0.045713 0.031126 -0.020104 202 C 14 X 0.017117 -0.003592 0.189749 0.114825 0.330368 203 C 14 Y 0.384036 -0.165360 -0.074911 -0.088432 -0.043114 204 C 14 Z -0.022096 -0.013986 0.139129 0.065074 -0.011562 205 C 14 XX -0.008142 -0.006815 -0.016942 -0.007743 0.004930 206 C 14 YY 0.002591 0.006930 0.011923 0.005786 -0.001995 207 C 14 ZZ 0.005551 -0.000115 0.005019 0.001957 -0.002934 208 C 14 XY 0.012209 0.007836 -0.002490 -0.008966 -0.010193 209 C 14 XZ 0.002190 0.005653 -0.007271 0.005079 0.001033 210 C 14 YZ 0.018589 0.003898 0.004322 0.003598 -0.009249 211 F 15 S -0.000154 -0.002808 0.001857 0.000389 -0.000061 212 F 15 S -0.016296 0.037589 0.002050 0.000703 -0.005353 213 F 15 S -0.043726 0.175092 -0.022300 -0.003605 -0.018914 214 F 15 X 0.005167 0.025020 -0.012492 -0.010681 -0.029642 215 F 15 Y -0.054239 0.002520 -0.030099 -0.012345 -0.008860 216 F 15 Z 0.036528 -0.080205 -0.013970 0.007507 0.008924 217 F 15 X -0.004148 0.033812 -0.027361 -0.024143 -0.044047 218 F 15 Y -0.072848 0.007251 -0.048976 -0.016782 -0.013263 219 F 15 Z 0.039907 -0.119966 -0.007056 0.009313 0.010357 220 F 15 XX 0.000472 -0.000378 0.000330 -0.000172 0.000105 221 F 15 YY -0.000758 0.001177 0.001161 0.000050 -0.000029 222 F 15 ZZ 0.000287 -0.000800 -0.001491 0.000123 -0.000076 223 F 15 XY 0.002970 -0.000942 0.001988 0.000686 0.000602 224 F 15 XZ -0.000497 0.001661 -0.000429 -0.001473 -0.001815 225 F 15 YZ -0.003524 0.000685 -0.001814 -0.000761 -0.000376 226 F 16 S 0.002857 -0.000782 0.000627 0.001538 0.000708 227 F 16 S -0.058333 0.026117 -0.012392 -0.011623 0.000243 228 F 16 S -0.236706 0.097197 -0.055217 -0.068613 -0.011534 229 F 16 X -0.043227 0.005829 -0.039364 -0.030248 -0.031771 230 F 16 Y 0.095670 -0.038099 -0.004404 0.009928 -0.007509 231 F 16 Z -0.064937 0.050427 -0.029457 -0.012493 -0.010828 232 F 16 X -0.067620 0.019648 -0.057015 -0.043526 -0.045189 233 F 16 Y 0.113964 -0.058557 -0.017219 0.029929 -0.011174 234 F 16 Z -0.087612 0.070669 -0.045653 -0.022629 -0.014987 235 F 16 XX 0.001457 0.000197 0.000258 0.000084 0.000402 236 F 16 YY -0.001270 0.000350 -0.000578 -0.000041 -0.001007 237 F 16 ZZ -0.000187 -0.000547 0.000320 -0.000042 0.000604 238 F 16 XY -0.001131 0.000382 -0.001338 -0.000955 -0.001483 239 F 16 XZ 0.002389 -0.001852 0.001834 0.001057 0.001379 240 F 16 YZ -0.001564 0.001824 -0.000482 -0.000070 -0.000303 241 F 17 S 0.000580 0.000318 -0.000194 0.000469 0.000270 242 F 17 S 0.037785 0.009511 0.009390 -0.013701 0.002995 243 F 17 S 0.114347 0.021295 0.037289 -0.051764 0.002295 244 F 17 X 0.027755 -0.005544 -0.040902 -0.030017 -0.026188 245 F 17 Y 0.031749 0.038609 0.049143 0.003945 -0.012870 246 F 17 Z 0.038245 0.021674 -0.003069 -0.023110 -0.000350 247 F 17 X 0.025525 0.005781 -0.052140 -0.040621 -0.034120 248 F 17 Y 0.032436 0.041574 0.053648 -0.008567 -0.003936 249 F 17 Z 0.055596 0.022663 -0.006236 -0.037690 0.000681 250 F 17 XX -0.001654 0.001494 0.000116 0.000029 -0.000030 251 F 17 YY 0.001650 -0.001190 -0.000604 -0.000376 -0.000473 252 F 17 ZZ 0.000003 -0.000304 0.000488 0.000347 0.000504 253 F 17 XY 0.000096 -0.001531 0.000320 0.000560 0.001597 254 F 17 XZ -0.001228 -0.000582 0.001260 0.001479 0.001274 255 F 17 YZ 0.000029 -0.001775 -0.000839 -0.000167 0.000355 256 F 18 S -0.000464 -0.001428 0.001761 0.001883 -0.001266 257 F 18 S -0.003680 0.010644 -0.009135 -0.013019 0.009591 258 F 18 S -0.005136 0.060895 -0.061103 -0.070876 0.049364 259 F 18 X 0.008871 0.001500 -0.031087 -0.025982 -0.015986 260 F 18 Y -0.056250 0.019965 -0.004407 -0.000139 0.011846 261 F 18 Z 0.013097 -0.026566 0.004089 0.029839 -0.018453 262 F 18 X 0.004058 0.007993 -0.043040 -0.044606 -0.022508 263 F 18 Y -0.072453 0.030987 -0.011856 -0.006340 0.024913 264 F 18 Z 0.007631 -0.042839 0.017630 0.039388 -0.029999 265 F 18 XX -0.001576 -0.000051 0.000375 0.000115 0.000630 266 F 18 YY 0.001760 0.000304 0.001252 -0.000059 -0.000471 267 F 18 ZZ -0.000183 -0.000254 -0.001628 -0.000056 -0.000159 268 F 18 XY 0.001746 0.000058 -0.000751 -0.000085 -0.000358 269 F 18 XZ -0.000255 0.000816 -0.001338 -0.002173 -0.001074 270 F 18 YZ -0.003165 0.000288 -0.000332 -0.000324 0.000859 271 C 19 S 0.008605 -0.007477 -0.039488 -0.034495 -0.027047 272 C 19 S -0.004468 -0.017569 -0.015448 -0.011102 -0.016742 273 C 19 S -0.374192 -0.056514 1.161701 1.086886 0.620792 274 C 19 X -0.031692 0.068928 -0.049540 -0.057404 -0.008574 275 C 19 Y 0.064119 0.031930 -0.083790 -0.057429 -0.047316 276 C 19 Z -0.023008 -0.007141 -0.050082 -0.003623 0.005510 277 C 19 X -0.063459 0.341979 -0.599511 -0.617953 -0.370515 278 C 19 Y 0.404530 0.031391 -1.058668 -0.889952 -0.607064 279 C 19 Z -0.077014 -0.038611 -0.181703 -0.120112 -0.094909 280 C 19 XX -0.015119 0.007393 0.004856 0.006574 0.018006 281 C 19 YY 0.011330 -0.000420 -0.002361 -0.004509 -0.010126 282 C 19 ZZ 0.003789 -0.006973 -0.002495 -0.002065 -0.007881 283 C 19 XY -0.003459 0.000108 -0.003953 0.000964 -0.000371 284 C 19 XZ -0.002374 0.000951 0.002131 -0.000802 0.000095 285 C 19 YZ -0.006533 -0.001451 -0.008117 0.001683 0.001681 286 H 20 S -0.036150 0.006992 0.050506 0.054125 0.083528 287 H 20 S 0.336655 -0.464703 0.091979 0.225156 0.039523 288 H 20 X -0.006781 0.005477 0.002030 0.001979 0.006116 289 H 20 Y -0.001467 -0.001544 -0.004659 0.000315 0.002389 290 H 20 Z -0.000806 0.000001 -0.000410 -0.000423 0.000262 291 H 21 S 0.023269 -0.005064 0.053054 0.010662 -0.011708 292 H 21 S -0.338530 -0.021602 0.042602 0.093167 0.118903 293 H 21 X 0.002732 0.000093 -0.004224 -0.003134 -0.002829 294 H 21 Y 0.006129 0.001197 -0.000297 -0.002700 -0.002604 295 H 21 Z -0.002090 0.001447 -0.001701 0.001528 0.001537 296 C 22 S -0.017891 0.024775 0.019439 0.011795 -0.043414 297 C 22 S -0.003198 0.021706 0.016695 0.005616 -0.012393 298 C 22 S 0.522889 -0.421824 -0.540384 -0.487773 1.476330 299 C 22 X -0.076865 0.019213 0.006280 -0.024475 -0.046884 300 C 22 Y -0.015602 0.028269 -0.036850 -0.041357 0.138480 301 C 22 Z -0.015969 -0.013641 -0.005031 -0.020951 0.017351 302 C 22 X -0.541831 0.270820 0.280265 0.121758 -0.629720 303 C 22 Y 0.136990 -0.209438 -0.449080 -0.409233 1.485652 304 C 22 Z -0.054196 -0.082634 -0.028015 -0.115256 0.102323 305 C 22 XX -0.003451 -0.005722 -0.006183 -0.000730 -0.005757 306 C 22 YY 0.009656 -0.000826 0.007718 0.002390 0.008828 307 C 22 ZZ -0.006205 0.006548 -0.001535 -0.001660 -0.003070 308 C 22 XY 0.010955 -0.000846 0.005155 0.005901 0.011481 309 C 22 XZ -0.000766 0.001676 -0.001473 -0.001181 0.002940 310 C 22 YZ 0.000713 -0.003281 0.003016 0.001761 -0.000199 311 H 23 S 0.029594 -0.027082 0.001132 0.003075 0.096868 312 H 23 S -0.559126 0.279849 -0.033485 -0.220336 0.447265 313 H 23 X -0.005105 0.004436 0.004579 0.000358 0.000524 314 H 23 Y -0.006435 0.000485 -0.004583 -0.001952 -0.004973 315 H 23 Z -0.000225 -0.000155 -0.001152 -0.000684 -0.000279 316 H 24 S 0.002529 0.003701 -0.033287 -0.007161 0.022593 317 H 24 S 0.346745 0.034117 -0.060118 0.137713 0.148088 318 H 24 X -0.001311 -0.001244 -0.003910 -0.000981 -0.001080 319 H 24 Y 0.001991 -0.002033 0.001966 -0.001628 0.006904 320 H 24 Z -0.003156 0.001579 -0.001119 -0.000129 0.000148 321 H 25 S -0.007917 -0.020296 -0.013320 -0.019964 0.005965 322 H 25 S 0.132295 -0.126567 -0.061355 -0.082625 0.172091 323 H 25 X -0.000120 -0.003102 -0.002837 -0.001425 -0.000670 324 H 25 Y 0.003229 0.003371 -0.000858 0.000534 0.007207 325 H 25 Z 0.001988 -0.000976 0.000627 -0.001270 0.001276 326 C 26 S 0.017006 0.024974 0.048143 -0.040835 -0.028041 327 C 26 S 0.010452 0.043986 0.014529 -0.022027 -0.024512 328 C 26 S -0.378130 -0.427166 -1.260674 0.809047 0.712780 329 C 26 X -0.003246 0.041605 -0.017756 -0.003641 0.044149 330 C 26 Y -0.033828 -0.048265 0.011297 0.001604 0.010696 331 C 26 Z 0.003233 0.049402 -0.100902 0.138564 0.016159 332 C 26 X -0.000525 0.258609 -0.021208 -0.026557 0.286093 333 C 26 Y -0.236558 -0.293864 -0.292973 0.142486 0.320201 334 C 26 Z -0.181918 -0.151267 -1.159334 1.153199 0.549667 335 C 26 XX 0.003180 0.001169 -0.009090 0.011002 0.000213 336 C 26 YY -0.003355 -0.004948 0.006188 0.001030 -0.003144 337 C 26 ZZ 0.000175 0.003780 0.002902 -0.012033 0.002931 338 C 26 XY 0.008267 0.002637 -0.001639 0.004806 0.002861 339 C 26 XZ 0.001578 -0.010918 -0.005048 -0.005995 -0.008618 340 C 26 YZ 0.006788 0.015431 -0.010155 0.012984 -0.001972 341 H 27 S 0.017260 0.010109 -0.064748 0.065026 0.023033 342 H 27 S -0.146837 0.115756 -0.074990 0.079754 0.356228 343 H 27 X -0.003221 0.003579 0.005011 -0.007078 0.000048 344 H 27 Y -0.002380 0.002938 0.002184 -0.000815 0.000457 345 H 27 Z -0.001590 -0.002892 0.000647 0.001262 0.006002 346 H 28 S -0.022450 -0.052813 -0.010057 -0.012586 0.003951 347 H 28 S 0.313816 0.492734 -0.122111 0.219261 -0.121708 348 H 28 X 0.002295 0.002783 0.001410 0.000477 0.002554 349 H 28 Y -0.004646 -0.006954 0.001893 0.002428 0.001726 350 H 28 Z 0.003078 0.009370 -0.003041 0.011000 -0.002346 351 H 29 S -0.004683 0.008493 -0.034953 0.072662 0.014774 352 H 29 S 0.000534 -0.284728 0.069580 0.235890 -0.167428 353 H 29 X -0.001702 -0.000927 -0.008054 0.004481 0.000268 354 H 29 Y 0.003453 0.001775 -0.002517 0.000329 0.000926 355 H 29 Z -0.001802 -0.009572 -0.007387 -0.001652 -0.003614 356 C 30 S 0.014055 0.046794 -0.009990 0.041539 -0.019809 357 C 30 S 0.006844 0.033206 0.015305 0.007106 -0.018525 358 C 30 S -0.344083 -1.071139 0.322616 -0.934738 0.502963 359 C 30 X -0.087596 0.003138 0.015012 -0.025026 0.009988 360 C 30 Y 0.004727 0.035771 0.014539 -0.040254 -0.019127 361 C 30 Z 0.037035 0.091541 -0.082463 0.136891 -0.021495 362 C 30 X -0.498576 0.082166 0.032569 -0.126001 -0.004172 363 C 30 Y 0.080115 0.483182 -0.018878 -0.052464 -0.025807 364 C 30 Z 0.326627 1.043259 -0.468426 1.192626 -0.460027 365 C 30 XX 0.000521 -0.006907 0.010356 -0.005637 -0.006515 366 C 30 YY -0.001845 -0.000128 -0.007889 -0.001864 0.003835 367 C 30 ZZ 0.001324 0.007035 -0.002468 0.007501 0.002680 368 C 30 XY -0.006946 -0.005271 0.001603 -0.006096 -0.000318 369 C 30 XZ -0.009290 0.003207 0.000802 -0.002992 0.009630 370 C 30 YZ -0.001276 -0.003102 0.011446 -0.015123 -0.005973 371 H 31 S -0.006709 -0.017290 -0.020429 0.006614 0.028801 372 H 31 S 0.015958 0.170229 0.274635 -0.455741 -0.030303 373 H 31 X -0.001078 0.001394 -0.000873 0.000558 0.000589 374 H 31 Y 0.000678 0.003776 0.005527 0.000797 -0.005384 375 H 31 Z 0.000073 0.000825 -0.006366 0.010774 -0.000095 376 H 32 S 0.000006 -0.041914 0.034210 -0.057176 -0.006529 377 H 32 S -0.589947 -0.157397 0.084742 -0.193561 0.088378 378 H 32 X -0.003269 0.004974 -0.003617 0.000664 0.001233 379 H 32 Y 0.001129 -0.001386 -0.003100 0.001083 -0.000161 380 H 32 Z 0.006098 0.004000 0.001917 -0.001477 -0.005106 381 H 33 S -0.014234 -0.049464 0.025306 -0.065304 0.019623 382 H 33 S 0.528123 -0.229809 -0.092348 0.234912 0.047437 383 H 33 X -0.005325 -0.005195 0.005271 -0.006046 -0.001811 384 H 33 Y -0.004752 -0.001753 -0.000827 -0.002179 0.002541 385 H 33 Z -0.002164 0.006686 0.000922 -0.001103 0.001959 386 H 34 S -0.001310 -0.000001 0.003456 0.020255 0.004361 387 H 34 S -0.059517 0.129327 0.294709 0.055707 0.068062 388 H 34 X 0.001482 0.001059 -0.003362 -0.003367 -0.003297 389 H 34 Y 0.001260 0.001918 -0.000493 -0.001259 -0.003150 390 H 34 Z 0.000400 -0.002356 -0.001735 -0.001539 -0.001602 391 F 35 S 0.002748 -0.000903 -0.000032 0.000335 -0.000614 392 F 35 S -0.016866 0.028385 0.017252 0.007128 0.014338 393 F 35 S -0.104020 0.113072 0.059023 0.017378 0.056407 394 F 35 X -0.032420 0.048877 0.008350 0.005423 0.008199 395 F 35 Y -0.066465 0.021499 -0.016529 0.000395 0.003942 396 F 35 Z 0.001730 -0.005852 -0.036164 -0.007139 -0.010558 397 F 35 X -0.045252 0.060291 0.004303 0.007643 0.021007 398 F 35 Y -0.085801 0.028608 -0.022707 0.003197 0.006292 399 F 35 Z 0.006912 -0.023940 -0.051056 -0.007400 -0.014049 400 F 35 XX 0.000139 -0.000686 0.001447 0.000497 0.001435 401 F 35 YY 0.000685 -0.000106 -0.001072 -0.000432 -0.001357 402 F 35 ZZ -0.000824 0.000792 -0.000374 -0.000065 -0.000078 403 F 35 XY 0.003216 -0.000858 0.001102 0.000280 -0.000004 404 F 35 XZ 0.000333 -0.000313 0.001845 0.000360 0.000268 405 F 35 YZ -0.001883 0.000133 -0.000962 -0.000354 0.000126 406 F 36 S -0.001955 -0.000382 0.000281 -0.000588 0.000550 407 F 36 S -0.000114 -0.008218 0.018865 0.001204 -0.001873 408 F 36 S 0.035420 -0.021434 0.054643 0.012498 -0.016918 409 F 36 X 0.026424 -0.032663 -0.021767 -0.007093 -0.024241 410 F 36 Y -0.057003 0.003871 -0.026009 -0.006975 0.006723 411 F 36 Z -0.000170 -0.019218 0.021962 0.002213 -0.009697 412 F 36 X 0.035664 -0.050059 -0.041633 -0.007165 -0.028260 413 F 36 Y -0.075714 0.008837 -0.038073 -0.008587 0.007626 414 F 36 Z 0.005048 -0.021801 0.022463 0.001285 -0.020340 415 F 36 XX -0.000357 -0.000001 0.000665 -0.000022 0.000088 416 F 36 YY 0.000048 -0.000891 -0.000942 -0.000045 -0.000546 417 F 36 ZZ 0.000309 0.000892 0.000277 0.000067 0.000458 418 F 36 XY -0.000845 0.000631 -0.000318 0.000055 -0.000314 419 F 36 XZ -0.001473 0.002116 0.001546 0.000507 0.001582 420 F 36 YZ 0.003391 -0.000483 0.001418 0.000492 -0.000395 421 C 37 S -0.008634 -0.006821 0.016229 0.002980 -0.017898 422 C 37 S -0.021612 0.009120 0.069581 0.016064 0.052523 423 C 37 S 0.213545 0.541582 -0.278510 -0.347658 0.628712 424 C 37 X 0.076651 -0.004748 -0.031870 -0.001661 -0.034707 425 C 37 Y 0.055380 0.025830 -0.014121 -0.026584 -0.027201 426 C 37 Z -0.039954 0.047000 -0.017930 0.039729 -0.008355 427 C 37 X 0.128343 -0.204259 0.705997 0.707882 0.064561 428 C 37 Y 0.186907 0.681551 0.159217 -0.020542 -0.002648 429 C 37 Z -0.030542 0.168737 0.367931 -0.126339 -0.196272 430 C 37 XX -0.007491 0.008946 0.018943 0.006083 -0.004521 431 C 37 YY 0.009403 -0.002029 -0.012961 -0.020953 -0.009717 432 C 37 ZZ -0.001912 -0.006917 -0.005981 0.014870 0.014238 433 C 37 XY 0.015145 0.001972 -0.015785 -0.016737 -0.008653 434 C 37 XZ 0.001722 0.003522 0.004003 -0.000265 -0.003447 435 C 37 YZ 0.001695 0.003895 -0.001222 -0.003585 -0.000984 436 S 38 S -0.011920 -0.005892 0.007661 0.004300 -0.001936 437 S 38 S -0.077522 -0.040334 0.052547 0.025048 -0.015214 438 S 38 S -0.006953 -0.037629 0.046434 -0.024763 -0.033128 439 S 38 S 0.857041 0.298258 -0.466304 -0.628091 -0.092192 440 S 38 X 0.001036 -0.006668 0.003623 0.001556 -0.007046 441 S 38 Y 0.008332 0.005435 -0.013010 -0.008999 -0.006263 442 S 38 Z 0.001406 0.003353 -0.007469 0.003323 -0.001494 443 S 38 X 0.092509 -0.009520 0.028770 -0.011763 -0.015356 444 S 38 Y 0.009076 0.034814 -0.086637 -0.062778 -0.042474 445 S 38 Z -0.009938 0.022044 -0.056570 0.032153 -0.010679 446 S 38 X 0.364594 0.273205 -0.157187 -0.319810 0.142195 447 S 38 Y -0.554831 -0.292509 0.290555 0.419900 0.121119 448 S 38 Z -0.089748 -0.053397 -0.010568 0.041758 0.009973 449 S 38 XX -0.017035 0.017064 0.004688 -0.009214 -0.009056 450 S 38 YY -0.017007 -0.013400 0.001579 -0.005117 0.009709 451 S 38 ZZ 0.034042 -0.003663 -0.006267 0.014331 -0.000652 452 S 38 XY 0.032610 0.087572 -0.036771 -0.057055 0.038748 453 S 38 XZ 0.000754 -0.004832 -0.034945 -0.001955 0.013099 454 S 38 YZ -0.019018 -0.006237 -0.014046 0.016136 0.009594 455 S 38 XX -0.002819 0.002693 0.001263 -0.000157 -0.002514 456 S 38 YY -0.006908 -0.004619 0.001755 0.002080 0.002979 457 S 38 ZZ 0.009727 0.001926 -0.003018 -0.001923 -0.000465 458 S 38 XY 0.006308 0.017643 -0.007601 -0.012772 0.005949 459 S 38 XZ 0.000448 -0.000554 -0.005230 -0.000316 0.001850 460 S 38 YZ -0.003652 -0.001713 -0.003033 0.002766 0.001394 461 H 39 S -0.052313 0.048272 0.053672 0.002766 -0.028130 462 H 39 S -0.333731 0.253620 -0.457187 -0.555248 -0.295079 463 H 39 X -0.000340 0.001342 0.007152 0.003986 -0.004100 464 H 39 Y 0.005167 0.002224 -0.001184 -0.003794 -0.002151 465 H 39 Z 0.001540 0.003572 0.003439 0.001538 -0.002254 131 132 133 134 135 0.3717 0.3887 0.3963 0.4123 0.4324 A A A A A 1 C 1 S -0.032405 0.004918 0.032671 -0.013827 -0.008159 2 C 1 S 0.079228 -0.016842 0.025059 0.012348 -0.016519 3 C 1 S 1.693957 -0.065978 -1.208734 0.601384 0.366997 4 C 1 X 0.041725 -0.065975 0.013217 -0.039912 0.092604 5 C 1 Y -0.080280 -0.004350 0.178261 0.008500 -0.025909 6 C 1 Z 0.001771 0.031623 0.035940 -0.045915 -0.027432 7 C 1 X 0.147288 -0.562792 -0.193411 -0.491892 0.335851 8 C 1 Y -0.806008 0.038925 1.433782 0.402807 -0.440991 9 C 1 Z -0.045437 0.038063 0.042764 -0.023214 -0.039954 10 C 1 XX 0.006205 0.017741 0.006022 -0.015617 0.000210 11 C 1 YY 0.007421 -0.011181 -0.019514 0.018878 0.001051 12 C 1 ZZ -0.013626 -0.006560 0.013493 -0.003261 -0.001261 13 C 1 XY -0.006416 -0.011262 0.014214 -0.005726 -0.032343 14 C 1 XZ 0.005332 0.002353 0.003440 0.003037 -0.002032 15 C 1 YZ -0.005281 -0.009559 -0.018370 0.009580 0.007628 16 C 2 S -0.009443 -0.004698 0.016176 0.022098 -0.013671 17 C 2 S -0.074906 0.053520 0.022906 -0.026566 -0.008643 18 C 2 S -0.159834 0.218440 -0.642580 -1.160048 0.523180 19 C 2 X -0.015682 0.013651 0.033376 -0.052391 0.010919 20 C 2 Y -0.051282 0.057488 -0.030448 -0.025902 -0.022909 21 C 2 Z -0.015725 -0.001803 0.022546 0.027858 0.005420 22 C 2 X -0.245264 -0.532018 0.196448 -0.293559 -0.173702 23 C 2 Y 0.607310 0.568740 -1.025386 -0.370888 0.033653 24 C 2 Z -0.005681 0.035390 -0.037797 0.109578 0.012574 25 C 2 XX -0.005023 0.004742 0.012161 0.003847 -0.015735 26 C 2 YY 0.005149 -0.003846 -0.004632 -0.002643 0.018861 27 C 2 ZZ -0.000126 -0.000896 -0.007528 -0.001204 -0.003126 28 C 2 XY -0.013960 0.000066 0.010067 -0.002787 0.038388 29 C 2 XZ -0.005305 -0.003364 -0.003624 -0.002170 0.005739 30 C 2 YZ -0.000186 -0.004870 -0.009457 -0.004204 -0.000175 31 C 3 S -0.013693 0.008788 -0.013878 0.029635 0.006579 32 C 3 S -0.019350 -0.055192 0.033105 0.009673 0.029757 33 C 3 S -0.393327 -0.683819 1.068912 -1.095214 -0.428116 34 C 3 X -0.044342 0.044522 -0.018291 -0.100443 0.154864 35 C 3 Y -0.027135 0.071103 0.010860 -0.081178 0.072777 36 C 3 Z 0.039771 0.032344 0.033357 -0.060043 -0.024234 37 C 3 X -0.143392 0.122385 0.275120 -0.542958 0.859564 38 C 3 Y 0.218247 0.366727 -0.698110 -1.110349 0.268327 39 C 3 Z 0.287147 0.218719 0.136222 -0.343272 -0.049398 40 C 3 XX 0.002554 -0.004995 0.009019 0.015464 0.007599 41 C 3 YY -0.028766 0.011392 -0.003135 -0.016070 -0.014884 42 C 3 ZZ 0.026212 -0.006397 -0.005883 0.000605 0.007286 43 C 3 XY 0.025019 -0.000082 0.005538 0.003394 -0.030185 44 C 3 XZ -0.007328 -0.003418 0.002035 0.003835 0.007625 45 C 3 YZ -0.000250 0.004972 0.010577 0.003803 0.001090 46 C 4 S 0.025201 -0.023183 -0.034465 -0.030248 0.034098 47 C 4 S 0.058377 0.005042 0.027286 -0.000683 -0.059151 48 C 4 S -0.445876 0.892417 1.636112 1.050297 -1.643779 49 C 4 X 0.048958 -0.012543 -0.034834 -0.125979 0.092851 50 C 4 Y -0.032859 0.088755 0.143879 -0.070654 -0.030113 51 C 4 Z -0.179679 -0.049818 -0.046799 0.036153 0.021919 52 C 4 X 0.294182 -0.081359 -0.209367 -1.406375 0.054286 53 C 4 Y -0.350398 0.976447 1.560692 -0.805869 -0.426415 54 C 4 Z -1.630605 -0.786722 -0.947880 0.054731 0.029024 55 C 4 XX -0.000335 0.006711 -0.002749 -0.026171 0.000888 56 C 4 YY 0.009139 0.002662 -0.002285 0.013815 0.014782 57 C 4 ZZ -0.008804 -0.009373 0.005035 0.012356 -0.015670 58 C 4 XY -0.001158 -0.007805 0.006481 0.003154 0.018090 59 C 4 XZ -0.005350 -0.007785 -0.008583 -0.008570 0.000823 60 C 4 YZ 0.004206 0.002898 0.001761 -0.003423 -0.008599 61 S 5 S 0.004924 -0.006569 0.000431 -0.002356 -0.006365 62 S 5 S 0.029813 -0.045366 0.000229 -0.018511 -0.046472 63 S 5 S -0.028623 -0.039105 -0.034572 -0.042936 -0.075321 64 S 5 S -0.385274 0.343445 -0.224840 0.061885 0.123024 65 S 5 X -0.004095 -0.001997 -0.002283 -0.005723 0.011083 66 S 5 Y -0.000586 0.010116 0.006111 -0.004179 0.008120 67 S 5 Z -0.001717 -0.003102 -0.003868 0.004318 0.001306 68 S 5 X 0.049606 -0.033921 0.005891 -0.001173 0.083493 69 S 5 Y 0.013434 0.018022 0.069918 -0.013795 0.074158 70 S 5 Z 0.002757 -0.000825 0.009886 0.047309 0.008740 71 S 5 X 0.370377 -0.147870 0.159592 0.198527 -0.120294 72 S 5 Y -0.103410 -0.332978 0.188538 0.275881 0.063861 73 S 5 Z 0.100882 0.151178 0.222112 0.081607 0.015187 74 S 5 XX 0.034756 -0.008622 0.001485 0.068975 -0.013403 75 S 5 YY -0.004275 0.008276 0.049833 -0.078085 -0.018088 76 S 5 ZZ -0.030481 0.000347 -0.051317 0.009110 0.031491 77 S 5 XY -0.014403 -0.048420 0.014850 0.039638 0.015239 78 S 5 XZ 0.041680 0.047605 0.077868 0.005856 -0.007236 79 S 5 YZ -0.018003 -0.005933 -0.008714 -0.063805 -0.011379 80 S 5 XX 0.006718 -0.000787 0.000839 0.013571 -0.003135 81 S 5 YY 0.001525 0.000451 0.008644 -0.013746 -0.002064 82 S 5 ZZ -0.008242 0.000337 -0.009482 0.000175 0.005199 83 S 5 XY -0.005121 -0.009467 0.004774 0.010053 0.002530 84 S 5 XZ 0.007124 0.008642 0.013495 0.001013 -0.000297 85 S 5 YZ -0.003208 -0.001480 -0.002392 -0.010025 -0.002293 86 H 6 S 0.012721 -0.043442 0.030292 0.011852 0.104169 87 H 6 S 0.326552 -0.116148 -0.315096 -0.203368 -0.303301 88 H 6 X 0.003025 -0.007699 -0.001852 -0.002569 -0.008138 89 H 6 Y 0.002494 0.007595 -0.002981 0.001170 -0.016616 90 H 6 Z 0.000007 0.002353 0.004487 0.004966 0.000080 91 C 7 S -0.002709 -0.001067 0.005783 -0.019832 -0.017393 92 C 7 S -0.063252 -0.022097 -0.029827 -0.035765 -0.015722 93 C 7 S -0.249082 -0.481754 -0.323886 0.296672 0.633671 94 C 7 X -0.006835 0.038926 -0.019558 0.123716 0.019967 95 C 7 Y -0.042212 0.116762 -0.042956 -0.019905 -0.004752 96 C 7 Z 0.000523 0.003187 0.071282 -0.047718 -0.000667 97 C 7 X -0.753519 0.278957 -0.126758 1.522893 -0.398864 98 C 7 Y -0.865900 0.083004 -0.590593 0.095760 -0.479171 99 C 7 Z -0.018813 0.032089 0.215453 -0.536947 -0.219320 100 C 7 XX 0.011265 0.002655 0.019081 -0.001728 0.017066 101 C 7 YY -0.035520 -0.007927 -0.028348 -0.001580 -0.016190 102 C 7 ZZ 0.024255 0.005271 0.009267 0.003308 -0.000876 103 C 7 XY -0.002892 -0.007539 0.013092 0.024091 -0.013170 104 C 7 XZ -0.005106 -0.003992 -0.005758 0.000056 0.005816 105 C 7 YZ 0.000453 -0.010259 -0.003811 -0.014004 -0.010675 106 C 8 S -0.007386 -0.019818 -0.004172 -0.012322 0.025694 107 C 8 S -0.074200 0.049995 -0.033027 0.014848 0.026735 108 C 8 S -0.456400 1.243070 0.123173 0.803895 -1.554670 109 C 8 X 0.032838 0.097390 -0.034816 0.051568 -0.117157 110 C 8 Y 0.058634 0.144320 0.017212 0.002104 -0.027923 111 C 8 Z 0.033287 0.046964 0.023601 -0.046478 -0.040585 112 C 8 X 0.193360 0.858842 -0.362707 -0.268455 -1.452434 113 C 8 Y 0.373436 1.444922 -0.409434 -0.544491 -0.318628 114 C 8 Z 0.154964 0.143938 -0.120421 -0.202252 -0.035628 115 C 8 XX -0.013529 0.002603 -0.000637 0.032805 0.034821 116 C 8 YY -0.000172 0.007900 -0.000956 -0.008056 -0.057579 117 C 8 ZZ 0.013701 -0.010502 0.001593 -0.024749 0.022758 118 C 8 XY -0.010671 0.010445 0.005622 0.021341 -0.044745 119 C 8 XZ -0.007201 0.011321 0.010081 0.009562 -0.013766 120 C 8 YZ 0.004021 0.006355 0.011257 -0.001219 -0.009684 121 C 9 S 0.038314 0.026427 0.013992 0.002334 -0.047118 122 C 9 S -0.003565 0.015454 -0.005465 0.020129 0.061657 123 C 9 S -1.104997 -1.048858 -0.622611 0.032118 2.408849 124 C 9 X -0.089532 0.048926 -0.026088 0.191021 0.151783 125 C 9 Y 0.106457 0.169602 0.171404 -0.051849 0.035612 126 C 9 Z 0.138341 -0.017760 -0.063950 0.045009 0.108612 127 C 9 X -0.149558 0.221259 0.333817 1.778721 1.672941 128 C 9 Y 1.058397 1.258731 2.112431 0.066802 0.600850 129 C 9 Z 1.340604 -0.463566 -0.836583 0.348215 1.002387 130 C 9 XX 0.001438 -0.006162 -0.015912 -0.004378 -0.003094 131 C 9 YY 0.021291 -0.000274 0.005352 0.005249 -0.006748 132 C 9 ZZ -0.022730 0.006437 0.010559 -0.000871 0.009841 133 C 9 XY -0.001604 -0.003760 0.000748 -0.001528 -0.002881 134 C 9 XZ 0.004881 -0.000174 0.002387 -0.001992 0.003654 135 C 9 YZ -0.004431 0.000949 0.003829 0.003134 0.005090 136 C 10 S -0.011435 -0.001894 -0.012213 -0.032893 0.013215 137 C 10 S -0.010226 -0.011242 0.087222 0.022279 -0.012826 138 C 10 S -0.458193 0.005648 0.474087 1.366985 -0.846030 139 C 10 X -0.041507 0.055058 -0.061062 0.057886 0.014055 140 C 10 Y 0.030782 -0.039297 0.054109 -0.004595 -0.011758 141 C 10 Z 0.007390 -0.027667 -0.046003 0.025057 0.018061 142 C 10 X -0.862323 0.464028 -0.524708 0.289462 -0.111766 143 C 10 Y 0.111591 0.265442 0.160324 0.558453 -0.170460 144 C 10 Z 0.153491 -0.083196 -0.027179 0.056730 0.123463 145 C 10 XX -0.023058 -0.008615 -0.009652 -0.005497 -0.010915 146 C 10 YY 0.000778 0.010579 -0.005103 -0.006949 0.006183 147 C 10 ZZ 0.022279 -0.001964 0.014755 0.012446 0.004733 148 C 10 XY 0.008968 -0.019215 0.036335 0.002224 -0.002976 149 C 10 XZ 0.002272 0.014279 0.015949 0.012483 0.011423 150 C 10 YZ 0.004496 0.010161 0.002089 -0.004972 -0.009147 151 C 11 S -0.033189 0.008448 -0.004232 0.011860 -0.006995 152 C 11 S -0.062561 -0.014028 0.000316 0.023973 0.047718 153 C 11 S 0.321077 -0.023570 0.367324 0.093279 0.744901 154 C 11 X -0.052837 0.093443 -0.076221 0.004046 0.070294 155 C 11 Y 0.013751 0.092012 -0.102829 -0.066720 0.010520 156 C 11 Z -0.007486 -0.046408 -0.042958 0.005050 -0.006191 157 C 11 X 0.009576 0.202518 -0.131693 0.405764 0.433974 158 C 11 Y 0.138460 0.209120 -0.124303 0.161841 -0.189460 159 C 11 Z -0.104328 -0.102890 -0.037862 0.027960 0.062306 160 C 11 XX -0.010470 -0.003268 -0.009906 -0.021021 -0.005127 161 C 11 YY -0.001313 0.014171 0.005178 0.019755 0.003842 162 C 11 ZZ 0.011783 -0.010903 0.004728 0.001266 0.001286 163 C 11 XY -0.033242 0.031409 -0.022446 -0.022954 0.017216 164 C 11 XZ 0.011606 0.012261 0.015042 -0.002842 0.004504 165 C 11 YZ -0.005913 -0.008087 -0.002147 0.008535 0.010727 166 C 12 S 0.009720 0.005707 -0.007377 0.007129 -0.012702 167 C 12 S -0.058932 0.005188 -0.093928 -0.065921 0.017358 168 C 12 S -0.960548 -0.097079 -0.462191 -0.821810 0.422901 169 C 12 X -0.066356 0.075947 -0.169735 0.022969 -0.034356 170 C 12 Y 0.045941 0.078411 -0.163798 0.198716 -0.119140 171 C 12 Z 0.075157 -0.013470 0.015954 -0.068280 -0.020654 172 C 12 X -0.267245 0.387800 -0.545934 0.040213 0.126079 173 C 12 Y 0.298125 0.248848 -0.305341 0.545389 -0.093612 174 C 12 Z 0.259866 0.040577 0.020622 0.007974 -0.262179 175 C 12 XX 0.007742 -0.008137 0.012532 -0.004754 -0.000159 176 C 12 YY 0.001846 0.005216 -0.005689 -0.005970 0.007395 177 C 12 ZZ -0.009589 0.002921 -0.006842 0.010724 -0.007237 178 C 12 XY 0.004733 0.017334 -0.024480 0.003927 -0.007262 179 C 12 XZ 0.001396 -0.007907 -0.016092 0.000969 -0.007205 180 C 12 YZ 0.001608 0.011301 -0.021190 0.012153 -0.018130 181 C 13 S -0.020275 -0.032337 -0.004213 -0.009602 0.000275 182 C 13 S -0.029522 0.023485 -0.057273 0.031002 0.005286 183 C 13 S 0.379539 1.181576 -0.386240 0.453075 0.139216 184 C 13 X 0.039947 0.110366 -0.071354 0.075983 0.044655 185 C 13 Y 0.073950 -0.023466 -0.079283 0.090356 -0.140255 186 C 13 Z 0.017346 0.118128 0.045452 0.047929 0.061000 187 C 13 X 0.254585 0.545433 -0.122262 0.354736 0.193340 188 C 13 Y 0.234431 -0.214302 -0.212377 0.505708 -0.531046 189 C 13 Z 0.017480 0.384360 -0.015358 0.163742 0.265469 190 C 13 XX 0.003857 -0.001738 -0.009028 0.001161 -0.010625 191 C 13 YY -0.007939 -0.010631 -0.001757 -0.002241 -0.000097 192 C 13 ZZ 0.004082 0.012369 0.010785 0.001079 0.010722 193 C 13 XY -0.019243 0.003320 0.009749 -0.009971 0.028415 194 C 13 XZ -0.001493 -0.005949 0.005588 -0.003876 -0.000010 195 C 13 YZ -0.001112 -0.005888 0.013762 -0.023922 0.023394 196 C 14 S -0.013980 0.019794 -0.002035 -0.015109 0.019891 197 C 14 S -0.101525 0.083924 -0.070196 -0.067231 0.034749 198 C 14 S -0.260486 -0.217417 -0.369200 0.220814 -0.360076 199 C 14 X -0.073204 0.142343 -0.061600 -0.081343 0.101677 200 C 14 Y 0.099621 -0.151152 -0.009884 0.128053 -0.190775 201 C 14 Z -0.059119 0.049989 -0.043940 0.073523 -0.030336 202 C 14 X -0.036144 0.592315 -0.192249 0.092351 0.273436 203 C 14 Y 0.000869 -0.658687 0.052382 0.367930 -0.332971 204 C 14 Z 0.020961 0.221396 -0.086201 0.122835 -0.095660 205 C 14 XX -0.015486 -0.000255 0.013957 0.006567 0.014364 206 C 14 YY -0.000540 0.007287 -0.008987 0.004320 -0.003009 207 C 14 ZZ 0.016026 -0.007031 -0.004970 -0.010887 -0.011355 208 C 14 XY 0.017089 -0.029597 0.007957 -0.000951 -0.017206 209 C 14 XZ -0.011466 -0.004975 -0.008855 -0.005553 0.003266 210 C 14 YZ 0.001053 -0.009421 -0.001623 0.009444 -0.013839 211 F 15 S 0.000983 -0.001133 -0.000375 -0.003186 -0.003696 212 F 15 S -0.012604 0.003549 0.004765 0.012979 0.001494 213 F 15 S -0.060805 0.033257 0.017093 0.100269 0.072974 214 F 15 X -0.004473 -0.019177 0.045268 0.000439 0.004853 215 F 15 Y -0.011075 -0.023581 0.046743 -0.054934 0.020367 216 F 15 Z 0.008026 -0.015685 -0.015128 -0.051942 0.006374 217 F 15 X 0.004728 -0.033681 0.074964 0.014885 -0.002745 218 F 15 Y -0.025698 -0.034132 0.061971 -0.084851 0.020140 219 F 15 Z 0.010995 -0.024129 -0.018881 -0.073382 -0.011508 220 F 15 XX 0.000592 0.000098 -0.000599 0.001783 -0.001859 221 F 15 YY -0.000123 0.000904 0.000557 0.000727 0.000331 222 F 15 ZZ -0.000469 -0.001002 0.000042 -0.002510 0.001528 223 F 15 XY 0.000260 0.002644 -0.001740 0.001880 -0.000143 224 F 15 XZ 0.000823 -0.001454 0.004221 0.000686 -0.000092 225 F 15 YZ -0.000671 -0.001304 0.003477 -0.004447 0.002683 226 F 16 S -0.002229 0.000859 -0.002722 0.001363 0.003596 227 F 16 S -0.001309 -0.001882 0.036485 -0.035728 0.009026 228 F 16 S 0.030736 -0.019461 0.174479 -0.152482 -0.041149 229 F 16 X 0.011847 -0.061200 0.063340 -0.030050 -0.048643 230 F 16 Y -0.025945 -0.007151 -0.063695 0.022482 -0.036361 231 F 16 Z -0.010777 -0.022318 0.044712 -0.021605 0.017601 232 F 16 X 0.030278 -0.081449 0.102413 -0.043799 -0.034035 233 F 16 Y -0.054402 -0.023132 -0.081692 0.045814 0.005918 234 F 16 Z -0.024248 -0.024883 0.065530 -0.043469 0.020055 235 F 16 XX 0.001130 0.000211 0.000038 0.000297 0.001001 236 F 16 YY -0.002300 -0.000612 0.000450 -0.000182 -0.000046 237 F 16 ZZ 0.001170 0.000401 -0.000487 -0.000115 -0.000955 238 F 16 XY 0.001758 -0.003370 0.004290 -0.000514 0.000484 239 F 16 XZ -0.000146 0.002008 -0.004055 0.001591 -0.001770 240 F 16 YZ -0.000323 -0.000707 0.000896 0.000511 0.000941 241 F 17 S -0.001640 0.002504 -0.000416 -0.004537 0.001210 242 F 17 S 0.017885 -0.029335 0.011303 0.044208 -0.027566 243 F 17 S 0.082670 -0.146143 0.049360 0.232839 -0.118508 244 F 17 X -0.008015 -0.072183 0.035543 -0.024724 -0.014780 245 F 17 Y 0.041732 0.001376 -0.010012 0.066007 -0.045065 246 F 17 Z 0.046500 -0.078404 0.021422 0.047030 -0.049582 247 F 17 X 0.003718 -0.102437 0.040037 -0.004331 -0.037433 248 F 17 Y 0.055773 0.006503 0.004228 0.100365 -0.047936 249 F 17 Z 0.051131 -0.118731 0.042481 0.091139 -0.054954 250 F 17 XX 0.000160 -0.000029 -0.000031 0.000746 -0.000871 251 F 17 YY 0.001589 -0.002558 0.000580 -0.000704 -0.000815 252 F 17 ZZ -0.001749 0.002586 -0.000549 -0.000042 0.001686 253 F 17 XY -0.001067 0.002156 -0.000237 -0.000175 0.002176 254 F 17 XZ -0.001391 0.004312 -0.001533 -0.001052 0.002384 255 F 17 YZ -0.002234 0.001116 0.000335 -0.000752 0.002587 256 F 18 S 0.000272 0.002786 -0.002215 0.000803 -0.003189 257 F 18 S 0.025741 -0.030780 0.015741 0.011752 -0.004262 258 F 18 S 0.073043 -0.150843 0.093489 0.025131 0.051225 259 F 18 X 0.015077 -0.059043 0.040694 -0.000692 -0.008114 260 F 18 Y 0.012727 0.028200 0.000580 -0.028189 0.029769 261 F 18 Z -0.067102 0.053647 -0.031637 -0.018081 0.016970 262 F 18 X 0.028996 -0.097899 0.054898 -0.002299 -0.014934 263 F 18 Y 0.018102 0.045822 0.009554 -0.050965 0.050841 264 F 18 Z -0.071465 0.085592 -0.053406 -0.039528 -0.002196 265 F 18 XX 0.000030 0.001413 -0.000218 -0.001284 0.000904 266 F 18 YY 0.002367 -0.001257 0.000131 0.001659 -0.002633 267 F 18 ZZ -0.002396 -0.000156 0.000086 -0.000375 0.001729 268 F 18 XY -0.000523 -0.002424 -0.000422 -0.000044 -0.000967 269 F 18 XZ 0.002584 -0.004250 0.002361 0.000356 -0.002386 270 F 18 YZ 0.000631 0.001650 0.000580 -0.003007 0.002340 271 C 19 S 0.004536 0.052611 0.000583 0.009112 -0.070064 272 C 19 S 0.001237 0.038027 0.004039 0.007427 -0.133333 273 C 19 S -0.222197 -1.367630 0.191054 0.105994 1.230177 274 C 19 X -0.007145 0.068261 -0.058568 -0.059750 0.056020 275 C 19 Y 0.008186 0.065350 -0.010570 0.002924 0.121427 276 C 19 Z 0.005479 -0.012371 -0.036895 0.011293 0.033890 277 C 19 X 0.063717 0.905009 -0.169295 -0.109530 -0.229857 278 C 19 Y 0.087087 1.291875 -0.230931 0.083608 -0.940277 279 C 19 Z -0.016941 0.191519 -0.012472 0.115713 -0.111093 280 C 19 XX -0.001931 -0.005197 -0.007786 -0.029348 -0.014075 281 C 19 YY 0.001485 0.006215 0.003230 0.015803 0.020051 282 C 19 ZZ 0.000447 -0.001018 0.004557 0.013545 -0.005976 283 C 19 XY 0.000129 0.002467 -0.000552 -0.004101 0.000311 284 C 19 XZ -0.002854 -0.000078 0.000598 -0.000508 -0.000623 285 C 19 YZ -0.003165 -0.006202 -0.012110 0.008270 0.007597 286 H 20 S -0.013023 -0.076119 -0.027964 -0.080544 -0.000783 287 H 20 S 0.006429 -0.351579 0.213087 0.284567 -0.272472 288 H 20 X -0.000105 -0.004008 -0.000855 -0.009216 0.003337 289 H 20 Y -0.000886 -0.000806 -0.003551 -0.007337 -0.010989 290 H 20 Z -0.000666 -0.000619 0.000166 -0.000645 -0.000658 291 H 21 S 0.012332 -0.031092 0.068415 0.017836 0.061354 292 H 21 S 0.006480 -0.203689 -0.038826 0.016119 0.131198 293 H 21 X 0.002657 0.003519 0.000197 0.000819 0.003227 294 H 21 Y 0.001905 0.001632 0.001245 0.003429 0.014218 295 H 21 Z 0.000006 0.000201 -0.002739 -0.001728 0.002567 296 C 22 S 0.036708 -0.007317 -0.054956 0.004414 0.029726 297 C 22 S 0.017758 -0.001017 -0.066418 0.012009 0.046765 298 C 22 S -0.902773 0.166344 1.273834 0.160978 -0.552036 299 C 22 X 0.018220 -0.031039 -0.017718 0.026602 -0.019074 300 C 22 Y -0.077226 0.033463 -0.006433 0.044981 0.035057 301 C 22 Z -0.002662 -0.004708 -0.014655 0.016880 0.010952 302 C 22 X 0.529747 0.041974 -0.685784 0.080023 0.145224 303 C 22 Y -0.977898 0.377601 0.972888 0.174504 -0.438261 304 C 22 Z -0.049358 0.026288 0.124878 0.092598 -0.025277 305 C 22 XX -0.005557 -0.002707 -0.001607 0.001326 -0.007848 306 C 22 YY 0.009355 0.006562 0.008660 -0.011163 0.010616 307 C 22 ZZ -0.003798 -0.003855 -0.007053 0.009837 -0.002768 308 C 22 XY -0.000958 0.010552 0.007058 -0.015061 0.012249 309 C 22 XZ -0.000727 -0.003491 -0.005792 0.006108 0.005121 310 C 22 YZ 0.004019 0.005842 0.007301 -0.006838 -0.002729 311 H 23 S -0.030327 0.062171 0.070846 -0.053907 0.000448 312 H 23 S -0.134898 0.233205 -0.135585 0.275340 -0.048021 313 H 23 X 0.005567 0.003330 -0.006802 0.001298 0.001059 314 H 23 Y -0.003162 -0.004619 -0.005459 0.006301 -0.005144 315 H 23 Z -0.001180 -0.001405 -0.000899 0.001302 -0.000121 316 H 24 S -0.064701 -0.034734 0.002757 0.028172 -0.019880 317 H 24 S -0.150497 0.027394 0.191670 -0.164653 -0.003931 318 H 24 X -0.002080 -0.003011 0.002001 0.002193 -0.003563 319 H 24 Y 0.000874 0.005064 0.002482 -0.003048 0.004140 320 H 24 Z -0.001126 0.000173 -0.001652 0.002883 -0.000783 321 H 25 S -0.042866 0.000042 0.062912 0.016813 -0.044350 322 H 25 S -0.098269 -0.006107 0.173370 0.044158 0.059759 323 H 25 X -0.001162 -0.001687 0.002861 -0.001171 -0.005041 324 H 25 Y -0.003487 0.000760 -0.003004 -0.001140 0.004917 325 H 25 Z 0.000603 -0.001647 -0.000812 -0.000261 0.003299 326 C 26 S -0.053021 0.002802 0.010952 -0.006674 -0.003068 327 C 26 S -0.049943 0.004724 0.015085 -0.006512 0.005852 328 C 26 S 1.272623 -0.062311 -0.319412 0.216814 0.276403 329 C 26 X -0.019214 -0.005414 -0.035426 -0.008715 -0.009959 330 C 26 Y 0.012232 -0.004352 0.012514 0.021917 0.030209 331 C 26 Z 0.029127 0.028471 0.036540 0.003172 0.029038 332 C 26 X -0.051209 -0.081181 -0.209085 -0.455590 -0.413041 333 C 26 Y 0.238186 -0.316810 -0.482514 0.033472 0.014779 334 C 26 Z 1.119639 0.167989 0.045786 0.202324 0.180174 335 C 26 XX -0.006225 0.002555 -0.004748 -0.006077 -0.006447 336 C 26 YY 0.002789 0.003170 0.007700 0.002108 0.001400 337 C 26 ZZ 0.003436 -0.005724 -0.002952 0.003970 0.005047 338 C 26 XY -0.004724 -0.000098 -0.007176 -0.008314 -0.008344 339 C 26 XZ -0.011032 -0.000156 -0.003975 0.016673 0.006898 340 C 26 YZ -0.000899 0.008096 0.006673 -0.009947 -0.001915 341 H 27 S 0.025982 0.019188 -0.021787 -0.026727 -0.038966 342 H 27 S 0.007237 -0.155647 -0.204394 -0.103153 -0.104620 343 H 27 X 0.002858 -0.000345 0.005042 0.001226 0.003016 344 H 27 Y -0.001989 -0.001354 0.001085 0.002330 0.001160 345 H 27 Z 0.005288 -0.004037 -0.006675 -0.010574 -0.005721 346 H 28 S 0.013018 -0.006401 -0.010649 0.042291 0.022904 347 H 28 S -0.117502 0.222979 0.213560 -0.127687 -0.066498 348 H 28 X -0.000223 -0.000136 -0.003142 -0.008437 -0.006995 349 H 28 Y 0.006519 0.001059 0.004028 0.003104 -0.001048 350 H 28 Z 0.000838 0.008233 0.013560 -0.001925 -0.000581 351 H 29 S 0.061235 0.009057 0.026061 0.005470 -0.006411 352 H 29 S 0.245433 0.078695 0.257434 0.290473 0.337307 353 H 29 X -0.000820 -0.001292 -0.003581 -0.000879 -0.003531 354 H 29 Y -0.001958 -0.002058 -0.004954 -0.003138 -0.006159 355 H 29 Z -0.003915 -0.001639 -0.005750 0.011410 0.006459 356 C 30 S -0.039102 -0.007838 -0.000253 0.012602 -0.018957 357 C 30 S -0.023709 -0.010374 0.006170 0.020637 -0.034365 358 C 30 S 1.200510 0.277181 0.175444 -0.181342 0.270140 359 C 30 X -0.015320 0.025241 0.014764 -0.000145 -0.007295 360 C 30 Y -0.020462 -0.016882 -0.015435 -0.002808 -0.003546 361 C 30 Z -0.036034 0.013906 0.012242 -0.023057 0.005085 362 C 30 X -0.270971 0.121728 0.078421 0.330111 -0.066739 363 C 30 Y -0.309271 -0.331203 -0.386737 0.153918 -0.060150 364 C 30 Z -0.954996 -0.048840 0.100839 0.103045 -0.411390 365 C 30 XX -0.011031 -0.002605 -0.007595 -0.007860 0.000540 366 C 30 YY 0.001653 -0.004188 -0.003884 0.003975 0.004066 367 C 30 ZZ 0.009378 0.006793 0.011479 0.003885 -0.004606 368 C 30 XY 0.008561 -0.002316 0.006437 0.001101 -0.008721 369 C 30 XZ 0.004936 0.004517 0.004992 0.012007 -0.006014 370 C 30 YZ -0.009016 -0.008424 -0.009741 0.004352 0.000966 371 H 31 S 0.052335 0.019076 0.027086 -0.018755 0.007883 372 H 31 S -0.102371 -0.229704 -0.260722 0.063194 -0.021571 373 H 31 X -0.002061 0.001936 -0.000048 0.003718 0.002257 374 H 31 Y -0.003719 0.001031 0.004247 -0.001375 -0.005089 375 H 31 Z 0.005683 0.008764 0.011708 -0.005343 -0.003844 376 H 32 S -0.025118 -0.004844 -0.044799 -0.025574 0.043905 377 H 32 S -0.071881 0.189478 0.198258 0.176648 -0.029720 378 H 32 X 0.003710 -0.002171 0.004045 0.003994 -0.004631 379 H 32 Y 0.000271 -0.000275 -0.003552 0.001393 0.004184 380 H 32 Z -0.004370 -0.005940 -0.003075 -0.008318 0.000639 381 H 33 S 0.041759 -0.008339 -0.027697 0.003301 0.012868 382 H 33 S 0.309308 -0.037461 0.016923 -0.098319 0.221066 383 H 33 X -0.002854 0.001099 0.000595 -0.004669 -0.004787 384 H 33 Y 0.002387 -0.001623 -0.002077 0.000111 -0.001765 385 H 33 Z -0.004226 -0.000994 -0.003753 0.013893 0.005315 386 H 34 S 0.003620 -0.073723 -0.013595 0.023555 0.076549 387 H 34 S 0.002645 -0.091915 0.111767 -0.189954 0.026365 388 H 34 X 0.000242 0.003120 -0.000519 0.000587 0.001839 389 H 34 Y -0.002758 0.001536 -0.001471 0.007125 0.011751 390 H 34 Z -0.000569 -0.001692 -0.000749 0.004987 0.001431 391 F 35 S -0.002396 0.000298 -0.000906 -0.003570 0.000112 392 F 35 S 0.006877 0.012995 -0.016786 0.011807 0.012021 393 F 35 S 0.066046 0.039128 -0.043965 0.107003 0.038883 394 F 35 X 0.014878 -0.023413 -0.019604 0.002508 -0.007673 395 F 35 Y -0.037913 0.020544 0.012989 -0.047842 0.059198 396 F 35 Z -0.016302 -0.041824 -0.003226 -0.025604 -0.020567 397 F 35 X 0.018055 -0.037544 -0.025417 0.019954 0.000063 398 F 35 Y -0.045199 0.029011 0.019555 -0.066704 0.086412 399 F 35 Z -0.023225 -0.061526 -0.004390 -0.048785 -0.046387 400 F 35 XX -0.000203 0.003623 0.000102 0.001865 0.002726 401 F 35 YY 0.000286 -0.002502 0.000244 -0.000750 -0.001913 402 F 35 ZZ -0.000082 -0.001120 -0.000346 -0.001115 -0.000813 403 F 35 XY 0.002015 -0.000425 -0.001212 0.002307 -0.003196 404 F 35 XZ 0.000688 0.002056 0.000433 0.001002 0.000373 405 F 35 YZ -0.000673 0.000248 0.001566 -0.002453 0.002506 406 F 36 S 0.003109 -0.000199 -0.000184 0.001023 -0.004389 407 F 36 S 0.004777 0.020856 0.017174 0.006354 0.017001 408 F 36 S -0.043312 0.071879 0.064082 0.003373 0.145516 409 F 36 X -0.021016 -0.032372 0.010715 -0.025635 -0.016753 410 F 36 Y -0.014821 0.002190 0.025167 -0.065167 0.044428 411 F 36 Z 0.001786 0.017865 0.046394 -0.010090 0.033177 412 F 36 X -0.028582 -0.060948 0.018336 -0.046768 -0.034621 413 F 36 Y -0.025386 0.008243 0.035045 -0.080069 0.062424 414 F 36 Z -0.017898 0.016580 0.061216 -0.015207 0.067002 415 F 36 XX 0.001160 0.000092 0.001486 -0.000056 -0.000519 416 F 36 YY -0.000841 -0.000559 0.000993 -0.001296 0.001239 417 F 36 ZZ -0.000319 0.000467 -0.002479 0.001352 -0.000720 418 F 36 XY -0.001348 0.000603 0.000346 -0.000725 0.001550 419 F 36 XZ 0.000768 0.002328 -0.001481 0.001663 0.001304 420 F 36 YZ 0.001365 -0.000302 -0.001881 0.003335 -0.003612 421 C 37 S -0.020412 0.012530 0.019729 0.044345 0.017933 422 C 37 S -0.005772 -0.030463 0.006156 0.002022 -0.061149 423 C 37 S 0.259992 -0.270655 -0.886854 -1.559570 -1.029286 424 C 37 X 0.013093 0.017602 0.081109 0.105092 0.116831 425 C 37 Y 0.009789 0.022627 0.031401 -0.009957 0.119797 426 C 37 Z -0.042367 0.019481 -0.016094 0.046237 -0.017043 427 C 37 X 0.161160 -0.265695 1.093326 0.945268 1.387697 428 C 37 Y 0.297576 0.229166 0.155450 0.289220 1.986522 429 C 37 Z -0.181628 0.218123 0.367675 0.180430 0.230924 430 C 37 XX -0.001934 -0.000191 0.019042 0.001476 -0.008189 431 C 37 YY -0.015283 -0.003085 -0.019744 0.002110 0.018792 432 C 37 ZZ 0.017217 0.003276 0.000702 -0.003586 -0.010603 433 C 37 XY 0.003185 0.009076 -0.004772 0.004148 0.000115 434 C 37 XZ -0.002683 0.007778 0.005665 -0.002133 -0.008995 435 C 37 YZ -0.006124 0.002155 -0.009203 0.001330 -0.006997 436 S 38 S -0.018916 -0.004281 -0.004829 0.008694 0.004076 437 S 38 S -0.129665 -0.031948 -0.033669 0.059182 0.025567 438 S 38 S -0.105514 -0.063975 -0.035046 0.051522 -0.007278 439 S 38 S 0.934135 0.194533 0.223960 -0.462058 -0.392864 440 S 38 X -0.006499 0.004079 0.002748 0.023761 0.012576 441 S 38 Y 0.017900 0.006498 0.006103 -0.003979 0.005640 442 S 38 Z 0.000393 -0.001527 0.000354 -0.004094 0.002660 443 S 38 X 0.007846 0.026864 -0.014061 0.128068 0.056778 444 S 38 Y 0.080097 0.093173 0.023954 -0.018315 0.028584 445 S 38 Z -0.004742 0.003504 0.008902 0.000033 0.018969 446 S 38 X 0.315661 0.063769 -0.254797 -0.564952 -0.477749 447 S 38 Y -0.684298 -0.098418 -0.303312 0.255985 -0.130736 448 S 38 Z -0.036773 0.029390 -0.004794 0.157574 -0.000750 449 S 38 XX -0.008612 -0.013137 0.009481 -0.001691 0.078109 450 S 38 YY -0.036580 0.025294 -0.043764 -0.002361 -0.038866 451 S 38 ZZ 0.045191 -0.012157 0.034282 0.004052 -0.039242 452 S 38 XY 0.041554 0.023023 -0.060874 -0.122840 0.049552 453 S 38 XZ 0.012880 -0.023694 -0.027774 -0.022111 0.036061 454 S 38 YZ 0.000536 0.022083 0.007524 0.050489 0.025084 455 S 38 XX 0.000358 -0.002311 0.006036 0.002653 0.017094 456 S 38 YY -0.011720 0.003479 -0.011565 0.000437 -0.010081 457 S 38 ZZ 0.011362 -0.001168 0.005530 -0.003090 -0.007012 458 S 38 XY 0.008700 0.005928 -0.010637 -0.023979 0.006155 459 S 38 XZ 0.002125 -0.002933 -0.004326 -0.002952 0.005194 460 S 38 YZ -0.000229 0.003175 0.000300 0.008745 0.003941 461 H 39 S -0.034654 0.039038 0.060714 0.040568 -0.019895 462 H 39 S -0.242523 0.448182 -0.802307 -0.498550 -0.473182 463 H 39 X -0.002244 0.000230 0.008739 -0.000138 0.001381 464 H 39 Y 0.005297 0.004950 0.001098 -0.001099 0.006659 465 H 39 Z -0.004058 0.004424 0.005025 -0.002181 -0.003191 136 137 138 139 140 0.4383 0.4549 0.4697 0.4750 0.4869 A A A A A 1 C 1 S -0.002662 0.001582 0.010649 -0.014896 0.005915 2 C 1 S 0.012805 -0.010083 0.007624 -0.040684 0.007273 3 C 1 S 0.382300 -0.141267 -0.416246 0.255451 -0.101129 4 C 1 X -0.021023 0.065028 -0.079370 0.019395 0.046565 5 C 1 Y -0.014788 -0.004772 0.047778 -0.039839 -0.056009 6 C 1 Z 0.007386 0.010664 -0.011488 0.011873 -0.011658 7 C 1 X -0.282558 0.277638 -0.255174 0.106718 0.635733 8 C 1 Y -0.031563 0.504087 -0.182524 -0.522213 -0.718053 9 C 1 Z -0.069964 -0.006226 0.001854 0.011076 -0.074807 10 C 1 XX -0.003105 -0.001120 0.018787 -0.007597 -0.009865 11 C 1 YY 0.008677 0.006805 -0.028770 0.002647 0.018627 12 C 1 ZZ -0.005572 -0.005684 0.009984 0.004950 -0.008762 13 C 1 XY -0.012229 0.031897 -0.009651 -0.031128 -0.039442 14 C 1 XZ -0.004072 0.002562 0.005737 -0.007365 -0.001147 15 C 1 YZ -0.004051 -0.009207 0.004260 0.012527 0.001320 16 C 2 S 0.017526 0.036624 -0.037586 -0.029936 0.006594 17 C 2 S 0.026928 -0.026837 0.003477 -0.017675 0.079244 18 C 2 S -0.447035 -1.907534 1.924475 1.084800 0.802369 19 C 2 X -0.018515 0.030882 0.023595 -0.005984 -0.004929 20 C 2 Y 0.030146 -0.082161 0.013716 0.027988 0.115205 21 C 2 Z 0.024289 -0.031047 -0.027996 0.005640 0.043871 22 C 2 X -0.233989 0.332426 -0.241923 -0.178046 0.534424 23 C 2 Y 0.057455 -2.081189 1.622919 0.881754 0.600635 24 C 2 Z 0.196356 -0.108770 0.132945 0.015284 -0.047769 25 C 2 XX 0.004576 -0.007941 0.005415 -0.006617 0.005608 26 C 2 YY -0.004068 0.004971 0.003639 0.001407 -0.000054 27 C 2 ZZ -0.000508 0.002970 -0.009054 0.005209 -0.005555 28 C 2 XY -0.000144 0.002951 0.000619 0.018291 0.020572 29 C 2 XZ -0.000846 -0.000381 -0.003267 0.008293 -0.001744 30 C 2 YZ -0.015936 -0.003538 -0.001673 0.007287 0.005317 31 C 3 S 0.013623 -0.030414 -0.003804 -0.001289 0.030330 32 C 3 S 0.017185 0.021938 -0.014763 -0.033117 -0.079059 33 C 3 S -0.277133 1.480200 0.214791 -0.356258 -1.202954 34 C 3 X -0.040027 0.119763 -0.028139 0.026572 0.011966 35 C 3 Y 0.014441 -0.141467 0.149810 0.091617 -0.073784 36 C 3 Z -0.078227 -0.010391 -0.040346 0.011340 0.055667 37 C 3 X -0.099286 1.517992 -1.720401 0.077889 -0.110565 38 C 3 Y -0.215457 -2.143625 2.389876 1.251688 0.025286 39 C 3 Z -0.410169 0.027829 0.035197 -0.021285 -0.005276 40 C 3 XX 0.004967 0.003296 0.011781 -0.004946 0.008871 41 C 3 YY 0.007517 0.002343 -0.016344 -0.005612 0.007022 42 C 3 ZZ -0.012484 -0.005638 0.004563 0.010557 -0.015894 43 C 3 XY -0.000475 0.002124 0.004211 -0.014122 -0.028926 44 C 3 XZ -0.024303 -0.006984 0.006570 -0.002134 0.000855 45 C 3 YZ 0.009724 0.000496 -0.002419 -0.006098 -0.000477 46 C 4 S -0.016121 0.008894 0.013583 0.033179 -0.025218 47 C 4 S -0.002960 0.007586 0.005812 -0.011829 0.020030 48 C 4 S 0.577240 -0.065419 -0.337622 -1.433991 0.868656 49 C 4 X -0.015068 0.019421 -0.046453 0.053041 -0.037659 50 C 4 Y -0.000586 0.013071 -0.013116 0.023510 0.014621 51 C 4 Z 0.055938 0.031319 0.030838 0.000395 -0.042414 52 C 4 X -0.223639 0.111266 0.144735 0.742813 -0.745126 53 C 4 Y -0.068267 0.834524 -0.555555 -0.610708 0.160525 54 C 4 Z 0.351695 0.179775 -0.023353 0.431899 -0.255216 55 C 4 XX -0.007837 -0.019336 0.014780 0.000477 -0.015643 56 C 4 YY -0.008617 0.012982 -0.013032 0.005441 0.000473 57 C 4 ZZ 0.016454 0.006355 -0.001748 -0.005918 0.015170 58 C 4 XY -0.004155 0.023411 0.002389 -0.002422 -0.011928 59 C 4 XZ 0.003469 0.008418 -0.007592 0.016684 -0.010860 60 C 4 YZ 0.014386 -0.001437 0.000692 -0.011786 0.004605 61 S 5 S -0.000726 0.005377 -0.006230 -0.005007 -0.008536 62 S 5 S -0.004661 0.039444 -0.043396 -0.036238 -0.060281 63 S 5 S 0.000192 0.062070 -0.042555 -0.048633 -0.072811 64 S 5 S 0.093709 -0.137696 0.184953 0.029636 0.382874 65 S 5 X -0.000593 0.004298 0.008607 0.008475 0.003603 66 S 5 Y 0.002096 -0.019991 0.015482 0.007110 0.004320 67 S 5 Z 0.001782 -0.004364 0.003178 0.006214 -0.004792 68 S 5 X 0.001154 0.025425 0.014179 0.036904 0.038353 69 S 5 Y 0.007731 -0.113460 0.092441 0.050869 0.021261 70 S 5 Z 0.018161 -0.025068 0.025301 0.013124 -0.015607 71 S 5 X 0.002332 -0.045795 -0.160335 -0.061403 -0.216881 72 S 5 Y -0.038731 0.382129 -0.325315 -0.170456 0.039295 73 S 5 Z 0.000631 0.061428 -0.035054 -0.195761 0.140167 74 S 5 XX 0.025519 0.002510 -0.067477 -0.021713 0.040703 75 S 5 YY -0.030310 0.024125 0.047356 -0.053206 -0.032432 76 S 5 ZZ 0.004791 -0.026635 0.020121 0.074919 -0.008271 77 S 5 XY 0.007543 0.038791 -0.030423 0.015317 -0.037652 78 S 5 XZ 0.008494 0.013598 -0.000981 -0.061485 0.042645 79 S 5 YZ 0.002976 0.011914 -0.019894 0.043463 -0.035078 80 S 5 XX 0.003995 -0.002058 -0.009101 -0.003234 0.003700 81 S 5 YY -0.005023 0.006144 0.004376 -0.007954 -0.003715 82 S 5 ZZ 0.001028 -0.004086 0.004725 0.011188 0.000015 83 S 5 XY 0.001137 0.010718 -0.008318 -0.000554 -0.006348 84 S 5 XZ 0.000494 0.003204 -0.000829 -0.010095 0.006950 85 S 5 YZ 0.000853 0.001260 -0.002195 0.006986 -0.005504 86 H 6 S 0.009480 0.011452 -0.038354 0.051692 0.076332 87 H 6 S -0.011185 -0.543593 0.309497 0.145196 0.498915 88 H 6 X -0.003662 0.005242 -0.007223 -0.004709 -0.004686 89 H 6 Y 0.002647 -0.010747 0.005415 -0.004643 -0.005001 90 H 6 Z 0.004752 -0.001085 0.000512 -0.003138 0.001926 91 C 7 S 0.001146 0.020909 -0.034144 0.055169 0.012089 92 C 7 S 0.023358 -0.003748 0.010423 -0.021687 0.047571 93 C 7 S 0.213139 -0.671605 1.240613 -2.478223 -0.839161 94 C 7 X 0.009518 0.032127 0.019470 -0.051047 -0.053461 95 C 7 Y -0.004673 0.005222 -0.035768 0.098182 -0.046630 96 C 7 Z 0.018842 -0.010918 0.006903 0.002334 0.007859 97 C 7 X 0.382844 -0.326341 -0.076737 1.045191 0.575357 98 C 7 Y -0.040619 0.548765 -1.025947 1.726764 0.269094 99 C 7 Z 0.278067 0.218018 -0.037185 -0.167553 -0.164608 100 C 7 XX -0.001907 -0.004724 0.009421 0.024928 -0.013819 101 C 7 YY 0.008686 -0.001039 -0.018728 0.004374 0.008134 102 C 7 ZZ -0.006779 0.005763 0.009307 -0.029301 0.005685 103 C 7 XY 0.015823 0.002121 -0.003308 0.019977 -0.019182 104 C 7 XZ 0.019284 -0.004784 -0.007291 0.005946 0.000447 105 C 7 YZ 0.023007 0.003728 0.014467 0.008066 -0.009858 106 C 8 S -0.008882 -0.000804 0.004904 -0.014900 0.007582 107 C 8 S -0.010889 -0.017043 0.021864 0.000435 0.015422 108 C 8 S 0.159425 0.081909 -0.441871 1.352563 0.115381 109 C 8 X 0.033790 0.014320 -0.033100 0.027375 -0.001659 110 C 8 Y 0.022992 -0.043599 -0.018909 0.055593 0.021172 111 C 8 Z -0.011029 0.036984 -0.019758 0.017116 -0.013135 112 C 8 X 0.002136 0.224381 -0.416623 0.368885 0.192383 113 C 8 Y 0.169315 -0.224216 -0.168981 -0.481698 0.314085 114 C 8 Z 0.021763 0.026205 -0.050808 0.043932 -0.042502 115 C 8 XX 0.013463 -0.007135 0.009353 0.014136 -0.014584 116 C 8 YY -0.004920 0.002911 -0.020085 0.025818 0.015271 117 C 8 ZZ -0.008543 0.004224 0.010732 -0.039954 -0.000688 118 C 8 XY 0.013232 -0.011904 -0.015355 0.058362 0.015700 119 C 8 XZ 0.000704 0.000803 -0.001605 -0.006147 0.012680 120 C 8 YZ -0.009021 0.006781 -0.008958 0.009764 0.003405 121 C 9 S -0.007596 0.001521 -0.008133 -0.016124 0.008292 122 C 9 S -0.015450 0.015719 -0.009860 0.049117 -0.041847 123 C 9 S 0.071901 -0.172075 0.432740 0.925181 -0.589523 124 C 9 X 0.062173 -0.067267 0.101826 -0.097576 0.013624 125 C 9 Y 0.003185 -0.008786 0.031948 -0.043728 0.000902 126 C 9 Z -0.043296 0.027624 -0.010607 0.088559 -0.045969 127 C 9 X 0.219984 -0.998086 1.240858 -1.118512 0.419041 128 C 9 Y -0.162741 -0.081576 0.117158 -0.663111 0.404281 129 C 9 Z -0.314872 -0.358374 0.237840 0.730563 -0.283809 130 C 9 XX -0.000748 0.008765 0.006938 -0.026383 0.001561 131 C 9 YY -0.009038 -0.011498 0.003712 0.020769 0.006173 132 C 9 ZZ 0.009786 0.002733 -0.010650 0.005614 -0.007734 133 C 9 XY 0.003854 -0.025081 0.011063 0.008312 0.015176 134 C 9 XZ -0.004000 -0.001867 -0.002318 0.010710 -0.000834 135 C 9 YZ 0.006084 0.003430 0.000681 -0.000152 -0.002948 136 C 10 S 0.006012 0.002410 -0.015359 -0.018087 0.038213 137 C 10 S 0.009898 0.033431 -0.088854 0.130256 -0.075577 138 C 10 S 0.223232 0.122741 -0.934216 2.594616 -1.333994 139 C 10 X 0.007574 0.043406 -0.055952 -0.054696 0.098138 140 C 10 Y -0.032121 -0.082753 0.014526 0.216635 0.077121 141 C 10 Z -0.165875 0.006796 -0.009840 0.000767 -0.011643 142 C 10 X -0.377654 0.268579 -0.583058 1.206414 1.939899 143 C 10 Y 0.351142 -0.307660 0.059736 0.832839 0.679207 144 C 10 Z -0.576884 -0.172049 0.000427 -0.185517 -0.136461 145 C 10 XX 0.016215 -0.013541 0.005777 -0.030506 0.007895 146 C 10 YY -0.012434 0.003345 -0.012932 0.032073 0.015005 147 C 10 ZZ -0.003782 0.010196 0.007155 -0.001567 -0.022900 148 C 10 XY 0.000244 0.005413 0.003091 0.003933 -0.006383 149 C 10 XZ -0.028133 -0.000759 -0.017036 -0.003213 0.004544 150 C 10 YZ -0.005891 0.019187 0.010681 -0.015532 -0.005432 151 C 11 S 0.006267 -0.011049 -0.012451 0.011803 -0.024966 152 C 11 S -0.016685 0.010661 -0.065288 0.011701 0.166423 153 C 11 S -0.205083 1.084744 -1.305179 -0.545211 2.061151 154 C 11 X 0.044147 -0.037394 -0.001225 0.065617 -0.060395 155 C 11 Y 0.005310 -0.031237 0.030439 0.010391 -0.054403 156 C 11 Z 0.176387 0.012752 -0.035570 0.054259 -0.013490 157 C 11 X 0.355744 0.961382 -1.965615 -0.179363 -1.051939 158 C 11 Y 0.468589 -0.293096 0.561831 -0.251144 -0.066929 159 C 11 Z 0.577337 0.050067 -0.280617 0.169406 0.002761 160 C 11 XX -0.003912 -0.033603 0.015832 0.007710 0.004378 161 C 11 YY 0.013768 0.030621 -0.015113 -0.024285 -0.022911 162 C 11 ZZ -0.009856 0.002982 -0.000719 0.016575 0.018534 163 C 11 XY -0.000584 -0.000601 0.003328 0.006576 0.011203 164 C 11 XZ 0.014792 -0.004844 -0.018787 0.008523 0.000768 165 C 11 YZ -0.006722 -0.015238 -0.005476 0.004631 0.007050 166 C 12 S 0.033553 -0.002645 -0.031798 -0.012120 -0.023332 167 C 12 S 0.210267 -0.118077 -0.199277 -0.202904 0.117377 168 C 12 S 0.180622 -0.560103 -0.571447 -0.330166 2.317902 169 C 12 X -0.116350 0.114445 0.156862 -0.016188 0.136825 170 C 12 Y 0.008085 0.100896 -0.070747 -0.067644 0.039527 171 C 12 Z 0.348016 0.048787 0.157815 0.011412 -0.093679 172 C 12 X -0.590782 0.650171 0.064509 -0.112911 0.928020 173 C 12 Y 0.212010 0.505586 0.030253 -0.761193 -0.882604 174 C 12 Z 0.837906 0.357791 0.500459 -0.181725 -0.519100 175 C 12 XX 0.006533 -0.013088 -0.037835 0.037888 0.000187 176 C 12 YY 0.022072 0.011192 0.029615 -0.011756 0.002280 177 C 12 ZZ -0.028605 0.001895 0.008221 -0.026132 -0.002466 178 C 12 XY -0.005863 0.018702 -0.004532 0.020578 0.026734 179 C 12 XZ -0.002042 0.006331 0.026124 -0.002692 -0.004551 180 C 12 YZ -0.012613 0.019939 0.001056 -0.002528 0.014991 181 C 13 S -0.008220 -0.003248 -0.012033 0.030716 0.028716 182 C 13 S -0.000272 0.325094 0.148838 0.168364 0.119067 183 C 13 S 0.325186 2.145647 1.160910 -0.061182 -0.373842 184 C 13 X 0.056172 0.061851 -0.052360 -0.096526 -0.142119 185 C 13 Y -0.170048 -0.075276 0.107596 0.028620 -0.120468 186 C 13 Z -0.061717 -0.014877 -0.228915 0.106229 0.053622 187 C 13 X 0.156565 0.378600 -0.382638 -0.293313 -0.466301 188 C 13 Y -0.319191 -0.010486 0.150253 -0.137808 -0.680854 189 C 13 Z -0.104709 0.054221 -0.649208 0.109753 -0.033151 190 C 13 XX 0.011206 -0.002315 0.037876 -0.010260 -0.014029 191 C 13 YY -0.012929 -0.009001 -0.034638 -0.009977 -0.001557 192 C 13 ZZ 0.001723 0.011317 -0.003238 0.020237 0.015585 193 C 13 XY 0.000230 0.030521 -0.015148 -0.027432 0.017172 194 C 13 XZ -0.007668 -0.010267 0.009606 -0.003337 0.009676 195 C 13 YZ 0.061792 0.009493 -0.013460 -0.000078 -0.000823 196 C 14 S -0.025712 0.002924 -0.026388 -0.001311 0.012035 197 C 14 S -0.140065 -0.150257 -0.144898 -0.020611 -0.227172 198 C 14 S -0.065579 -0.666568 -0.850871 -0.082418 -1.950406 199 C 14 X 0.179658 0.169037 0.062806 0.146062 0.033373 200 C 14 Y 0.004780 -0.217369 0.099221 0.011563 0.158191 201 C 14 Z -0.290788 0.082144 0.134881 -0.107456 0.016644 202 C 14 X 0.723086 0.577587 -0.288319 0.341264 -0.582598 203 C 14 Y 0.046771 -0.223927 -0.520173 0.208643 0.082651 204 C 14 Z -0.488222 0.276976 0.507390 -0.346448 -0.153562 205 C 14 XX -0.023365 0.017771 -0.049520 -0.007539 0.011970 206 C 14 YY -0.003512 0.011703 0.020864 0.002690 -0.016865 207 C 14 ZZ 0.026878 -0.029474 0.028656 0.004850 0.004895 208 C 14 XY -0.010399 -0.038727 -0.004159 -0.014781 0.006917 209 C 14 XZ 0.012506 0.016320 0.006974 -0.002210 -0.001375 210 C 14 YZ -0.033629 -0.030192 0.012448 -0.002491 0.029357 211 F 15 S 0.013889 0.002305 0.006703 -0.005484 -0.001738 212 F 15 S -0.102557 0.015639 0.004485 0.047397 0.018051 213 F 15 S -0.615171 0.010913 -0.115150 0.267512 0.108349 214 F 15 X -0.020128 -0.039702 -0.043390 0.044556 -0.025732 215 F 15 Y -0.001432 -0.041679 0.015380 0.046384 0.019797 216 F 15 Z 0.219860 -0.047891 -0.043218 -0.073796 0.012334 217 F 15 X -0.034779 -0.072693 -0.063535 0.083362 -0.065964 218 F 15 Y -0.002629 -0.069548 -0.004741 0.091625 0.071980 219 F 15 Z 0.362877 -0.063405 -0.013043 -0.169327 -0.010232 220 F 15 XX -0.002997 0.001740 0.003089 0.001048 -0.002172 221 F 15 YY -0.003638 0.001861 0.002064 -0.000527 -0.000743 222 F 15 ZZ 0.006636 -0.003601 -0.005153 -0.000521 0.002915 223 F 15 XY -0.000101 0.003102 -0.001741 0.000169 0.001985 224 F 15 XZ -0.001504 -0.002638 -0.003070 0.001985 -0.004055 225 F 15 YZ 0.001649 -0.002492 0.000381 0.002901 0.000423 226 F 16 S -0.000033 -0.001050 -0.004756 -0.010134 -0.002580 227 F 16 S -0.022636 0.015823 0.040504 0.061762 -0.008431 228 F 16 S -0.072343 0.077416 0.225207 0.416220 0.030796 229 F 16 X 0.027013 -0.041795 0.040270 0.038735 -0.079895 230 F 16 Y -0.017509 -0.060283 -0.112870 -0.071290 0.069006 231 F 16 Z -0.109235 -0.007927 0.046212 0.078112 -0.003811 232 F 16 X 0.049443 -0.076774 0.042499 0.078430 -0.125248 233 F 16 Y -0.002281 -0.115364 -0.165239 -0.158449 0.089373 234 F 16 Z -0.179324 -0.023484 0.029144 0.170045 0.050307 235 F 16 XX 0.000081 0.001321 0.003460 0.001550 -0.002265 236 F 16 YY -0.004955 -0.003615 -0.006255 0.000015 0.004408 237 F 16 ZZ 0.004874 0.002295 0.002795 -0.001564 -0.002143 238 F 16 XY 0.003822 -0.001836 0.003996 0.000797 -0.007101 239 F 16 XZ -0.000382 0.003831 0.001653 -0.001963 0.003397 240 F 16 YZ -0.005076 0.001330 0.005457 0.000275 -0.003153 241 F 17 S 0.001898 -0.005000 -0.001514 0.000232 -0.004866 242 F 17 S -0.005698 0.028014 0.018787 -0.001451 0.060224 243 F 17 S -0.061041 0.198993 0.079300 -0.007423 0.305675 244 F 17 X -0.041187 -0.020013 0.024069 -0.040274 0.058178 245 F 17 Y -0.049507 0.036384 0.096698 -0.018311 0.087353 246 F 17 Z 0.041771 0.001283 0.047975 0.026011 0.137770 247 F 17 X -0.081197 -0.060378 0.035255 -0.064499 0.087910 248 F 17 Y -0.064751 0.123257 0.132380 -0.042440 0.145189 249 F 17 Z 0.063087 0.038576 -0.000625 0.051397 0.211396 250 F 17 XX -0.001756 -0.000588 0.004143 -0.000049 0.005711 251 F 17 YY 0.005674 -0.003488 -0.003839 0.002114 -0.000888 252 F 17 ZZ -0.003918 0.004076 -0.000304 -0.002065 -0.004823 253 F 17 XY 0.002241 0.002835 -0.003017 0.002559 -0.001841 254 F 17 XZ 0.003921 0.004769 0.000420 0.002653 -0.002794 255 F 17 YZ -0.001561 0.001096 -0.007892 -0.000460 -0.006574 256 F 18 S -0.007319 -0.000414 0.009945 -0.007652 -0.009636 257 F 18 S 0.078605 0.016872 -0.008456 0.031787 0.048795 258 F 18 S 0.412211 0.068240 -0.225682 0.260823 0.349758 259 F 18 X -0.012585 -0.042072 -0.023156 0.001641 0.069692 260 F 18 Y 0.072557 0.034771 0.000807 0.016205 -0.010401 261 F 18 Z -0.165425 -0.035162 -0.029621 -0.058784 -0.120225 262 F 18 X -0.015427 -0.061557 -0.043394 -0.003428 0.129469 263 F 18 Y 0.109547 0.054886 0.015189 0.027375 0.025218 264 F 18 Z -0.243994 -0.076474 0.046526 -0.134719 -0.230035 265 F 18 XX 0.003385 0.003184 0.002353 0.001420 0.002504 266 F 18 YY 0.001287 -0.002449 0.003381 0.000420 0.002787 267 F 18 ZZ -0.004672 -0.000735 -0.005734 -0.001841 -0.005290 268 F 18 XY -0.000625 -0.001428 0.001791 -0.000881 0.001458 269 F 18 XZ -0.000717 -0.004641 0.000352 -0.001891 0.004331 270 F 18 YZ 0.006108 0.003078 0.001617 0.001021 -0.000864 271 C 19 S 0.008986 -0.006005 -0.023148 0.042561 0.021241 272 C 19 S 0.013061 -0.004376 -0.048624 0.086593 0.041823 273 C 19 S -0.147005 0.049840 0.391156 -0.338254 -0.311316 274 C 19 X -0.012803 0.009254 0.015270 -0.088824 -0.014060 275 C 19 Y 0.004107 -0.006414 0.058363 -0.091822 -0.039596 276 C 19 Z 0.000550 -0.012363 0.008524 0.009794 -0.018050 277 C 19 X 0.118129 -0.183723 -0.066064 0.095729 0.156000 278 C 19 Y 0.153247 -0.054466 -0.314458 0.447518 0.237238 279 C 19 Z -0.008205 -0.041823 -0.037935 -0.006434 0.109859 280 C 19 XX -0.010401 0.013063 -0.018153 -0.014620 0.003370 281 C 19 YY 0.005647 -0.005170 0.011955 -0.000675 -0.005279 282 C 19 ZZ 0.004754 -0.007893 0.006197 0.015295 0.001909 283 C 19 XY -0.001276 -0.001574 0.002380 -0.001010 -0.001446 284 C 19 XZ 0.000940 -0.001071 0.000191 -0.006461 0.003539 285 C 19 YZ 0.004428 -0.008932 0.003973 0.004917 -0.002875 286 H 20 S -0.039915 0.055704 -0.043404 -0.093438 -0.001952 287 H 20 S 0.012606 0.102942 -0.062737 0.256144 -0.056297 288 H 20 X -0.004079 0.003267 -0.002834 -0.009047 -0.000494 289 H 20 Y -0.001496 0.004878 -0.005097 -0.003179 -0.001812 290 H 20 Z -0.000083 0.000316 -0.000621 -0.002454 0.000997 291 H 21 S -0.015127 0.004353 0.040310 -0.050072 0.003932 292 H 21 S -0.050768 -0.061277 0.026520 -0.046325 0.011397 293 H 21 X -0.000762 -0.001153 0.003815 -0.000391 -0.001992 294 H 21 Y -0.000466 -0.000430 0.004731 -0.001396 -0.003611 295 H 21 Z 0.000664 0.000070 -0.000737 -0.001834 -0.000593 296 C 22 S 0.009016 -0.016194 -0.009601 0.029016 0.034808 297 C 22 S 0.016929 -0.050240 0.000280 0.062786 0.066827 298 C 22 S -0.071356 0.280382 0.073699 -0.464385 -0.636709 299 C 22 X -0.005976 0.053897 -0.033474 -0.029957 -0.048425 300 C 22 Y 0.025727 -0.041391 0.002874 0.053474 0.039789 301 C 22 Z -0.017652 -0.016739 0.009004 0.006920 0.014219 302 C 22 X 0.120081 -0.164900 -0.048933 0.159717 0.172667 303 C 22 Y -0.025580 -0.041408 0.372914 -0.291408 -0.604775 304 C 22 Z 0.040095 0.020022 0.028973 -0.101980 -0.017682 305 C 22 XX -0.001293 0.010039 -0.006016 -0.006950 -0.005793 306 C 22 YY -0.003028 -0.017941 0.016315 0.007823 0.005871 307 C 22 ZZ 0.004322 0.007902 -0.010299 -0.000873 -0.000078 308 C 22 XY -0.002491 -0.021189 0.022429 0.011718 0.007619 309 C 22 XZ -0.002275 -0.008027 0.004959 0.005186 0.002282 310 C 22 YZ -0.001133 0.002874 -0.002281 -0.001621 0.001030 311 H 23 S -0.015459 -0.089417 0.117126 0.011122 -0.013716 312 H 23 S 0.106259 -0.158767 0.130828 0.028704 -0.196822 313 H 23 X 0.001299 -0.011040 0.007591 0.004731 0.003051 314 H 23 Y 0.001679 0.012851 -0.014360 -0.005289 -0.001020 315 H 23 Z 0.000121 0.001644 -0.001120 -0.001485 -0.000250 316 H 24 S -0.021412 0.025338 -0.009884 -0.000182 -0.046666 317 H 24 S -0.009325 0.022082 0.024640 0.036459 -0.018392 318 H 24 X 0.000635 0.005556 -0.003921 -0.004007 -0.004207 319 H 24 Y -0.001339 -0.007190 0.005643 0.004209 0.005145 320 H 24 Z 0.001131 0.000801 -0.000424 -0.001070 -0.000745 321 H 25 S 0.014268 0.071151 -0.030187 -0.061718 -0.044775 322 H 25 S -0.046828 -0.032345 0.073325 -0.042780 0.062830 323 H 25 X -0.002225 0.007570 -0.004841 -0.006161 -0.003323 324 H 25 Y 0.001729 -0.009596 0.007178 0.009087 0.001757 325 H 25 Z -0.000804 -0.004267 0.002400 0.003704 0.000961 326 C 26 S 0.008118 -0.001958 -0.009287 0.008037 -0.002260 327 C 26 S 0.011987 -0.005265 -0.013017 0.025577 -0.010942 328 C 26 S -0.242945 -0.154050 0.196381 0.121681 -0.040309 329 C 26 X -0.002562 0.000222 0.009110 -0.010185 -0.008315 330 C 26 Y 0.014149 -0.005835 -0.022983 0.010002 0.011454 331 C 26 Z 0.018125 -0.007495 -0.041139 0.043151 -0.008975 332 C 26 X -0.091092 0.143116 -0.368726 0.340465 -0.068725 333 C 26 Y -0.046035 -0.049066 -0.006794 0.086193 -0.093796 334 C 26 Z -0.189113 -0.108307 0.060751 0.089437 0.033802 335 C 26 XX -0.002670 0.005185 0.003017 -0.015190 -0.001688 336 C 26 YY 0.002403 0.000245 -0.008725 0.011743 0.003482 337 C 26 ZZ 0.000267 -0.005431 0.005708 0.003447 -0.001795 338 C 26 XY 0.008224 0.002858 -0.011459 0.003173 -0.008179 339 C 26 XZ 0.008658 0.000050 0.000036 -0.003781 -0.001505 340 C 26 YZ -0.004052 0.002306 -0.001105 -0.013350 -0.001384 341 H 27 S -0.014766 0.006072 -0.047420 -0.010151 -0.005458 342 H 27 S -0.061014 -0.000877 -0.237766 0.211394 -0.007389 343 H 27 X -0.000283 -0.002983 -0.000577 0.005758 0.000778 344 H 27 Y -0.001698 -0.003742 0.009078 -0.002767 0.002194 345 H 27 Z -0.002220 0.003163 -0.003060 0.011051 -0.004351 346 H 28 S 0.004193 -0.014290 -0.004772 0.069187 0.018858 347 H 28 S 0.006088 0.043968 -0.003041 0.000708 -0.023005 348 H 28 X 0.003292 0.003577 -0.005896 0.005221 -0.004533 349 H 28 Y -0.001627 -0.000730 -0.004506 0.006866 0.003613 350 H 28 Z -0.003172 0.000505 -0.007092 -0.002892 0.004550 351 H 29 S -0.041449 0.010459 0.043043 -0.039976 0.003130 352 H 29 S 0.094579 -0.101232 0.113129 -0.111570 0.043535 353 H 29 X -0.004070 0.001313 -0.000601 -0.003319 0.001735 354 H 29 Y 0.003159 0.003376 -0.003345 -0.001859 -0.005648 355 H 29 Z 0.001981 -0.001864 0.005639 -0.004160 -0.000812 356 C 30 S 0.020358 0.009748 0.004231 -0.014156 0.007937 357 C 30 S 0.037635 0.018485 0.018323 -0.042151 0.013943 358 C 30 S -0.349384 -0.173799 0.114303 -0.027692 -0.054153 359 C 30 X -0.022281 -0.018956 -0.018136 -0.021342 0.028154 360 C 30 Y -0.017188 0.012778 0.004413 0.014074 -0.024315 361 C 30 Z -0.026396 -0.008116 0.009143 0.011768 -0.036861 362 C 30 X 0.055451 -0.121840 -0.006580 -0.191565 0.272528 363 C 30 Y 0.108064 -0.051705 0.069479 -0.038227 -0.022364 364 C 30 Z 0.322457 0.203606 -0.086074 -0.140608 0.070880 365 C 30 XX -0.006686 -0.004962 -0.003011 0.012209 0.000516 366 C 30 YY 0.001797 0.004762 -0.003282 -0.003771 -0.000502 367 C 30 ZZ 0.004889 0.000200 0.006293 -0.008438 -0.000015 368 C 30 XY -0.007661 0.009021 0.004603 -0.009937 -0.014071 369 C 30 XZ -0.000067 -0.009612 0.012641 -0.013699 0.004194 370 C 30 YZ -0.005870 0.001169 0.002970 0.007047 -0.005471 371 H 31 S 0.003174 0.014308 -0.019375 -0.068411 0.012076 372 H 31 S 0.000992 -0.041131 0.049433 0.022497 -0.034648 373 H 31 X 0.002722 -0.004801 -0.001419 -0.000711 0.009440 374 H 31 Y 0.001275 0.000448 0.001983 -0.004361 -0.000625 375 H 31 Z 0.001365 0.002511 -0.002400 -0.007362 0.000243 376 H 32 S -0.022915 -0.028499 -0.010059 0.084887 0.005531 377 H 32 S -0.024248 -0.069367 -0.065104 -0.123082 0.204564 378 H 32 X 0.005513 0.005543 0.007463 -0.008285 -0.005611 379 H 32 Y -0.000847 -0.001418 -0.003861 0.000532 0.005223 380 H 32 Z -0.001838 0.005688 -0.003468 0.011027 -0.007452 381 H 33 S -0.064260 -0.015844 0.017383 0.025714 -0.029538 382 H 33 S 0.039500 0.037372 -0.001993 0.229016 -0.114119 383 H 33 X -0.004814 0.001357 -0.000849 -0.000173 -0.001552 384 H 33 Y -0.001860 0.002506 0.000599 -0.002148 -0.005093 385 H 33 Z 0.001843 -0.010179 0.007453 0.001668 0.004145 386 H 34 S 0.019812 -0.031632 0.056174 0.015840 -0.043534 387 H 34 S -0.022809 0.043274 0.010481 -0.099671 -0.012608 388 H 34 X 0.001603 -0.002085 0.004030 -0.001805 -0.001087 389 H 34 Y 0.003151 -0.004433 0.006281 -0.002515 -0.001868 390 H 34 Z 0.001242 -0.002992 0.003373 0.002301 -0.000187 391 F 35 S -0.000258 0.003681 0.009757 0.002571 0.004031 392 F 35 S 0.007191 -0.044463 -0.052501 -0.043766 -0.042802 393 F 35 S 0.031660 -0.222216 -0.364111 -0.207996 -0.233500 394 F 35 X 0.018903 -0.125378 -0.034982 -0.093988 -0.086215 395 F 35 Y -0.031872 0.012203 -0.020365 -0.033318 0.083821 396 F 35 Z -0.002842 0.049501 0.104397 0.024034 0.050372 397 F 35 X 0.014018 -0.200090 -0.156752 -0.130534 -0.126544 398 F 35 Y -0.004097 0.003323 -0.046664 -0.032039 0.112852 399 F 35 Z 0.007776 0.084619 0.205207 0.033853 0.070583 400 F 35 XX -0.001392 0.005778 -0.006063 0.004970 0.004410 401 F 35 YY -0.000168 -0.005284 0.001906 -0.003235 -0.003781 402 F 35 ZZ 0.001560 -0.000494 0.004156 -0.001735 -0.000629 403 F 35 XY -0.000053 -0.001181 0.001439 0.002942 -0.003146 404 F 35 XZ -0.000247 -0.002705 -0.003714 -0.000775 -0.002439 405 F 35 YZ 0.005062 0.000250 -0.001873 0.000150 0.002052 406 F 36 S 0.001930 0.007734 0.011769 -0.002309 -0.001801 407 F 36 S -0.009816 -0.057047 -0.095228 -0.010424 -0.010582 408 F 36 S -0.074749 -0.349093 -0.583795 0.010166 0.002911 409 F 36 X -0.017026 -0.004375 0.046368 0.022383 0.043095 410 F 36 Y 0.096015 0.025262 0.005879 0.021526 0.047648 411 F 36 Z -0.014521 -0.151674 -0.171015 -0.016368 -0.009094 412 F 36 X -0.020239 -0.015118 0.096299 0.034647 0.057854 413 F 36 Y 0.115271 0.041029 0.011851 0.018509 0.077664 414 F 36 Z -0.031810 -0.265619 -0.344829 -0.019421 -0.008326 415 F 36 XX 0.000126 -0.002402 -0.000027 0.000068 -0.000859 416 F 36 YY -0.000051 -0.003712 -0.003617 -0.000323 0.001597 417 F 36 ZZ -0.000075 0.006114 0.003644 0.000255 -0.000738 418 F 36 XY -0.002436 0.000900 -0.000235 -0.001158 0.003551 419 F 36 XZ 0.001192 0.001273 -0.002220 -0.002344 -0.003203 420 F 36 YZ -0.006855 -0.002890 0.001189 -0.000153 -0.002917 421 C 37 S -0.001085 -0.018464 0.020303 0.011174 0.021849 422 C 37 S -0.011343 -0.021328 -0.000591 -0.013463 0.057984 423 C 37 S 0.038261 0.444265 -0.740667 -0.337587 -0.196894 424 C 37 X 0.012481 0.009932 0.009822 0.019055 -0.042958 425 C 37 Y -0.019850 0.042335 -0.006832 -0.053228 -0.034405 426 C 37 Z 0.000618 -0.036536 -0.009610 0.004905 0.018640 427 C 37 X -0.067522 -0.169426 0.385129 0.273451 -0.065219 428 C 37 Y 0.123847 -0.643998 0.719902 -0.779893 0.085115 429 C 37 Z 0.063115 -0.143367 0.166368 -0.409605 0.177622 430 C 37 XX -0.002240 -0.000141 -0.002506 0.031006 0.002734 431 C 37 YY 0.004664 0.006573 0.006157 -0.027061 -0.012390 432 C 37 ZZ -0.002424 -0.006432 -0.003652 -0.003945 0.009656 433 C 37 XY 0.006018 0.009913 -0.006028 0.007124 -0.017541 434 C 37 XZ -0.003568 -0.002048 -0.002718 -0.005346 0.006966 435 C 37 YZ 0.004548 -0.000638 0.003714 -0.010087 0.001275 436 S 38 S 0.003563 -0.004125 -0.005536 0.022476 -0.000984 437 S 38 S 0.024690 -0.030219 -0.039570 0.162073 -0.006742 438 S 38 S 0.025555 -0.044020 -0.055862 0.226984 -0.006356 439 S 38 S -0.114580 -0.003912 0.273160 -0.784279 0.014970 440 S 38 X 0.010729 -0.002782 0.004294 0.005100 -0.007851 441 S 38 Y -0.004266 -0.001353 0.010295 -0.012887 0.002638 442 S 38 Z 0.000969 -0.007103 -0.000222 0.005473 -0.001383 443 S 38 X 0.065902 0.007400 0.017289 0.011975 -0.050526 444 S 38 Y -0.011923 -0.020683 0.079123 -0.083159 0.011818 445 S 38 Z -0.014038 -0.051028 -0.007067 0.029152 0.004039 446 S 38 X -0.147223 0.227643 -0.172580 -0.132916 0.030545 447 S 38 Y 0.076653 0.128760 -0.294727 0.579157 -0.006370 448 S 38 Z -0.086455 -0.004570 -0.018297 -0.001299 0.065090 449 S 38 XX -0.015792 -0.002386 0.018907 -0.003266 -0.010531 450 S 38 YY 0.022031 -0.011052 -0.006049 0.018974 -0.005232 451 S 38 ZZ -0.006239 0.013438 -0.012858 -0.015708 0.015763 452 S 38 XY -0.029216 0.034842 0.003702 -0.153375 -0.011767 453 S 38 XZ -0.006190 -0.012766 -0.003090 0.025684 -0.023237 454 S 38 YZ -0.064581 -0.011850 -0.030122 -0.005229 0.034110 455 S 38 XX -0.001479 -0.002554 0.005987 -0.001879 -0.002611 456 S 38 YY 0.003610 0.000500 -0.005283 0.006611 0.000121 457 S 38 ZZ -0.002131 0.002054 -0.000704 -0.004732 0.002490 458 S 38 XY -0.005100 0.005626 -0.000265 -0.024426 -0.002122 459 S 38 XZ -0.000647 -0.001545 -0.000138 0.003236 -0.003395 460 S 38 YZ -0.009483 -0.002284 -0.004019 0.000123 0.005127 461 H 39 S 0.007679 -0.027510 -0.016414 0.098850 0.051556 462 H 39 S 0.058198 -0.108350 0.030836 -0.355580 0.112574 463 H 39 X -0.001309 0.000885 -0.000565 0.015003 0.001709 464 H 39 Y 0.000687 0.000315 0.001081 0.004099 -0.004750 465 H 39 Z -0.000532 -0.000955 -0.001947 -0.000912 0.002270 141 142 143 144 145 0.4996 0.5060 0.5122 0.5239 0.5334 A A A A A 1 C 1 S 0.002279 -0.021623 0.015591 0.032069 0.032913 2 C 1 S 0.055564 -0.021574 -0.001349 0.032923 0.036099 3 C 1 S 1.248229 1.372718 -1.115041 0.317227 -2.263565 4 C 1 X 0.029976 0.017041 0.041271 -0.047669 0.194842 5 C 1 Y -0.036950 -0.043847 0.008526 -0.021107 0.063533 6 C 1 Z 0.009125 0.034952 -0.025457 -0.037143 -0.067304 7 C 1 X -0.621315 -1.045431 1.105254 -0.127958 2.426446 8 C 1 Y 0.145086 0.292531 -0.290932 -0.354981 -0.373401 9 C 1 Z 0.044271 0.081520 -0.160923 0.058852 -0.142982 10 C 1 XX -0.021328 -0.007182 0.003665 0.008343 -0.006575 11 C 1 YY 0.059074 0.046857 -0.021565 0.053706 -0.037637 12 C 1 ZZ -0.037746 -0.039675 0.017900 -0.062050 0.044212 13 C 1 XY -0.025254 -0.030442 0.002643 -0.014433 0.012237 14 C 1 XZ -0.001989 -0.000306 -0.006565 -0.007242 0.012116 15 C 1 YZ -0.003445 -0.002265 -0.007199 0.012820 0.018887 16 C 2 S 0.081709 0.038143 -0.013819 0.050834 -0.025879 17 C 2 S 0.098800 0.027191 0.038450 0.139837 0.044875 18 C 2 S -2.611046 -1.390793 1.325338 -0.043375 2.149134 19 C 2 X -0.066886 -0.059254 0.034486 0.034368 0.016435 20 C 2 Y 0.097231 -0.010464 0.005368 0.076090 0.055549 21 C 2 Z 0.026584 -0.021355 0.073146 -0.022537 0.000936 22 C 2 X -0.497874 -1.161964 1.098646 -0.290477 2.737336 23 C 2 Y -1.011972 -0.364448 0.056383 0.195272 -0.414766 24 C 2 Z -0.085581 0.026328 0.052731 0.005151 -0.204263 25 C 2 XX 0.000450 -0.020721 0.011341 0.001811 0.008214 26 C 2 YY -0.007657 0.016735 -0.003015 0.014452 -0.014866 27 C 2 ZZ 0.007206 0.003986 -0.008325 -0.016263 0.006652 28 C 2 XY 0.013503 0.027499 -0.004702 0.025452 0.002821 29 C 2 XZ -0.001677 0.000880 -0.001949 0.002621 -0.004872 30 C 2 YZ -0.000056 0.001013 -0.012462 -0.004981 0.013449 31 C 3 S 0.059306 -0.033709 0.028817 0.053632 0.036440 32 C 3 S 0.141000 -0.039780 0.004286 0.094857 0.018440 33 C 3 S -1.449920 1.509840 -0.290309 -0.164068 -0.117724 34 C 3 X -0.094078 0.048381 -0.015591 0.067171 -0.090196 35 C 3 Y -0.032673 -0.015163 -0.043944 0.039633 -0.112214 36 C 3 Z 0.046166 0.028465 -0.027031 -0.106403 -0.020066 37 C 3 X 1.508495 1.077863 -1.021244 -0.131804 -2.432844 38 C 3 Y -2.316957 0.342929 -0.119605 0.173991 -0.884121 39 C 3 Z 0.099045 0.131965 -0.453776 0.025700 -0.177897 40 C 3 XX -0.027333 -0.002586 0.017230 0.008824 -0.007222 41 C 3 YY 0.052356 0.003537 -0.001472 0.033014 0.028612 42 C 3 ZZ -0.025023 -0.000952 -0.015759 -0.041838 -0.021390 43 C 3 XY -0.019469 -0.025543 -0.017794 -0.023517 -0.038098 44 C 3 XZ -0.012882 -0.011509 -0.016681 -0.007771 -0.004899 45 C 3 YZ 0.001870 -0.006422 0.012056 0.010698 -0.021049 46 C 4 S -0.038161 0.009218 -0.016395 0.020376 -0.004145 47 C 4 S -0.043278 -0.008728 0.010498 0.017271 0.049402 48 C 4 S 0.899428 -0.621188 0.760876 -0.701043 0.794415 49 C 4 X 0.081360 0.053622 -0.055165 -0.047732 -0.029787 50 C 4 Y 0.082571 0.112140 -0.080918 0.041503 -0.035035 51 C 4 Z -0.055477 0.026675 0.028435 -0.090859 -0.093659 52 C 4 X -0.469913 0.752435 -0.945116 0.093577 -1.314036 53 C 4 Y 0.302984 0.481249 -0.402081 -0.801689 -1.655470 54 C 4 Z -0.432677 -0.069423 0.262071 0.448625 0.045388 55 C 4 XX 0.011081 -0.037789 -0.007310 0.034558 0.019283 56 C 4 YY 0.001843 0.036374 -0.025073 0.008427 -0.037992 57 C 4 ZZ -0.012924 0.001415 0.032384 -0.042986 0.018709 58 C 4 XY -0.021294 -0.000544 0.012994 -0.007795 -0.002363 59 C 4 XZ -0.009732 0.001971 -0.003886 -0.005315 -0.006379 60 C 4 YZ 0.023589 0.006534 0.012439 0.042861 0.009435 61 S 5 S 0.016539 0.007193 -0.012786 0.033459 0.006475 62 S 5 S 0.118609 0.052923 -0.092530 0.249244 0.045019 63 S 5 S 0.152229 0.087147 -0.131819 0.419659 0.037906 64 S 5 S -0.246685 -0.133258 0.278116 -0.324312 -0.370529 65 S 5 X -0.026094 -0.003836 0.011910 -0.009591 0.013995 66 S 5 Y 0.002306 -0.005385 -0.002551 -0.004328 0.012454 67 S 5 Z -0.008651 -0.000561 -0.001146 -0.006047 0.002147 68 S 5 X -0.094931 -0.010773 0.062398 -0.081596 0.089579 69 S 5 Y -0.006871 -0.040061 -0.000435 -0.046951 0.157815 70 S 5 Z -0.043681 -0.001863 0.010665 -0.038665 0.012071 71 S 5 X 0.408486 0.184558 -0.274101 0.030065 -0.058355 72 S 5 Y -0.033884 -0.133510 0.301379 -0.139452 0.555450 73 S 5 Z 0.118649 -0.029136 0.103079 -0.059186 -0.008459 74 S 5 XX 0.146556 0.105484 -0.041056 0.044620 -0.056591 75 S 5 YY -0.082540 -0.114812 0.053290 0.055943 0.106830 76 S 5 ZZ -0.064016 0.009327 -0.012234 -0.100563 -0.050239 77 S 5 XY 0.018223 0.069150 -0.041846 0.000837 -0.014669 78 S 5 XZ 0.031582 0.022970 0.046571 -0.054432 -0.043942 79 S 5 YZ -0.015270 0.009492 -0.030448 0.010260 -0.057267 80 S 5 XX 0.023912 0.015443 -0.008146 0.006279 -0.009332 81 S 5 YY -0.012253 -0.015785 0.008024 0.005097 0.016090 82 S 5 ZZ -0.011659 0.000342 0.000122 -0.011375 -0.006758 83 S 5 XY 0.003365 0.010586 -0.004417 -0.002057 -0.002683 84 S 5 XZ 0.004624 0.002675 0.006590 -0.009064 -0.006741 85 S 5 YZ -0.003010 0.001989 -0.004657 0.001553 -0.008606 86 H 6 S 0.098269 0.106692 -0.028929 0.032826 -0.043151 87 H 6 S -0.213004 -0.607357 0.294844 -0.077626 0.771360 88 H 6 X 0.001365 0.002725 -0.000640 -0.010705 0.007735 89 H 6 Y -0.006470 -0.011769 0.005299 -0.007935 0.001551 90 H 6 Z -0.000273 -0.003305 0.007264 -0.001892 -0.002704 91 C 7 S -0.038229 0.063226 -0.015869 -0.080878 -0.029287 92 C 7 S -0.044604 0.093240 -0.004479 -0.164305 -0.148797 93 C 7 S 1.453330 -2.551136 0.176822 0.387620 -1.285970 94 C 7 X 0.003125 -0.123309 0.059825 0.037387 -0.035830 95 C 7 Y 0.030522 -0.008260 -0.056495 0.045829 0.084862 96 C 7 Z -0.031312 -0.000655 -0.034644 -0.082682 0.005967 97 C 7 X -0.338483 0.359694 0.428909 0.976792 1.592317 98 C 7 Y -0.644166 1.554599 -0.310460 -0.630190 0.733078 99 C 7 Z 0.190244 0.138204 0.045035 -0.125743 -0.367816 100 C 7 XX -0.025323 -0.010553 0.013368 0.008352 0.010824 101 C 7 YY 0.013187 0.004809 -0.017102 -0.072858 -0.021702 102 C 7 ZZ 0.012137 0.005744 0.003735 0.064507 0.010877 103 C 7 XY 0.009618 0.026227 -0.028995 -0.010282 -0.007916 104 C 7 XZ 0.016010 0.002331 0.010422 -0.010936 -0.010791 105 C 7 YZ -0.013581 0.016021 0.021619 -0.001109 0.012779 106 C 8 S 0.003766 -0.013851 0.008337 -0.052802 0.001075 107 C 8 S 0.002706 -0.010708 0.005807 -0.102819 -0.045283 108 C 8 S -0.921501 0.901339 -0.297615 0.296797 -0.374092 109 C 8 X -0.082589 0.006991 0.002660 0.043043 0.015926 110 C 8 Y 0.090154 0.035139 -0.039124 -0.018822 0.121493 111 C 8 Z -0.044341 0.043443 -0.034184 -0.061833 -0.032309 112 C 8 X -0.398349 0.149012 0.113874 0.185067 -0.096293 113 C 8 Y 0.837291 -0.463878 0.133261 -0.439211 1.063766 114 C 8 Z 0.079264 -0.028717 0.017322 0.001771 0.132407 115 C 8 XX -0.018254 0.014848 -0.014272 -0.014901 -0.002923 116 C 8 YY -0.013424 -0.001488 0.007122 -0.018344 0.031081 117 C 8 ZZ 0.031678 -0.013360 0.007150 0.033245 -0.028158 118 C 8 XY -0.008048 0.039907 -0.014827 0.000221 0.034011 119 C 8 XZ -0.005384 0.010623 -0.002033 -0.008093 -0.000093 120 C 8 YZ -0.005308 0.013381 -0.013355 0.002180 0.003732 121 C 9 S -0.006882 -0.025957 0.013388 0.001568 -0.017123 122 C 9 S -0.053719 -0.012134 -0.003789 -0.036769 -0.012325 123 C 9 S -0.285232 0.780520 -0.421461 -0.485849 0.378324 124 C 9 X 0.099911 0.047718 -0.035510 -0.044242 -0.040498 125 C 9 Y 0.008379 -0.008974 -0.002642 -0.077614 0.036327 126 C 9 Z -0.099278 0.042149 -0.036817 -0.146753 0.004456 127 C 9 X 0.517044 -1.009109 0.713606 0.308915 0.738675 128 C 9 Y 0.351394 0.512256 -0.372060 -1.495434 -0.919358 129 C 9 Z -0.479789 0.082722 -0.129488 -0.204696 0.507734 130 C 9 XX -0.013104 0.002939 0.005362 -0.033138 -0.047690 131 C 9 YY -0.015359 -0.010026 -0.000179 -0.001411 0.054341 132 C 9 ZZ 0.028463 0.007087 -0.005183 0.034549 -0.006651 133 C 9 XY 0.002732 -0.000761 -0.006760 -0.006754 0.036771 134 C 9 XZ 0.002915 0.005948 -0.004631 0.008888 0.011543 135 C 9 YZ -0.012662 -0.003922 0.009051 -0.042167 -0.016031 136 C 10 S 0.016814 0.018867 0.036888 -0.042753 -0.047056 137 C 10 S 0.040874 -0.029824 0.041311 -0.091995 -0.050490 138 C 10 S -0.654932 0.039546 -1.075587 -0.074253 0.914998 139 C 10 X -0.005297 0.127299 -0.074635 -0.120133 0.050835 140 C 10 Y -0.087717 0.111808 -0.034008 0.071302 0.035855 141 C 10 Z -0.031508 -0.067402 -0.097772 0.073372 0.037116 142 C 10 X -1.236768 2.724003 0.654876 -0.361240 1.344095 143 C 10 Y -0.535828 0.300955 0.474266 1.456861 1.530877 144 C 10 Z -0.040481 -0.588563 -0.396365 0.053644 -0.239380 145 C 10 XX 0.036224 -0.009454 -0.010841 -0.034753 -0.003518 146 C 10 YY -0.037583 0.022457 0.001142 -0.006662 -0.028028 147 C 10 ZZ 0.001359 -0.013003 0.009700 0.041415 0.031546 148 C 10 XY -0.009863 0.025411 -0.006397 0.004492 0.010062 149 C 10 XZ -0.013294 -0.030233 -0.011127 0.015171 -0.008858 150 C 10 YZ -0.005356 0.016029 -0.020692 -0.019018 -0.001457 151 C 11 S 0.042070 -0.061022 -0.005444 -0.029873 0.007772 152 C 11 S -0.000579 -0.034170 0.066989 0.011853 -0.001177 153 C 11 S 0.194190 1.994509 0.829375 1.502398 -0.672792 154 C 11 X 0.149454 0.021246 0.003535 0.026868 0.123430 155 C 11 Y -0.032741 0.019241 -0.012551 -0.010180 -0.076130 156 C 11 Z -0.016725 -0.012498 0.190141 0.041807 0.024603 157 C 11 X 3.265851 -1.814773 -1.241423 -0.575575 -0.648686 158 C 11 Y 0.009653 -0.593097 0.337195 0.805343 1.458251 159 C 11 Z 0.093105 0.019208 0.493903 -0.057536 -0.154020 160 C 11 XX 0.028200 0.026136 -0.024212 -0.000516 -0.022563 161 C 11 YY 0.020279 -0.039386 0.020871 0.001749 0.018419 162 C 11 ZZ -0.048479 0.013250 0.003342 -0.001233 0.004143 163 C 11 XY -0.000472 -0.000793 0.006272 0.006542 0.030859 164 C 11 XZ 0.011240 -0.011483 0.027725 -0.004509 -0.026792 165 C 11 YZ -0.003080 -0.020087 0.009671 0.020951 -0.002273 166 C 12 S 0.008025 -0.027318 0.010418 -0.010922 -0.014838 167 C 12 S -0.023456 0.035714 -0.123706 -0.090005 0.002172 168 C 12 S -0.479794 1.897447 -0.877024 -0.661270 0.798453 169 C 12 X 0.212620 0.056874 0.200308 -0.137759 -0.112915 170 C 12 Y -0.123126 -0.037469 -0.014715 -0.010404 -0.052371 171 C 12 Z 0.066210 0.162056 0.136402 -0.074626 0.089308 172 C 12 X 0.038760 1.191305 1.222920 -0.501796 -0.171602 173 C 12 Y -0.353756 -0.717875 0.147210 -0.075807 -0.546386 174 C 12 Z -0.021348 0.662625 0.357754 0.049090 0.244309 175 C 12 XX -0.010666 -0.004582 0.014111 0.011501 -0.008770 176 C 12 YY 0.017010 0.003806 0.007161 -0.015289 0.004430 177 C 12 ZZ -0.006345 0.000776 -0.021272 0.003788 0.004340 178 C 12 XY -0.001104 0.004994 0.025396 -0.006257 -0.018522 179 C 12 XZ 0.017365 0.016822 0.007588 -0.011654 0.005451 180 C 12 YZ -0.018388 0.029452 0.008342 0.000410 0.003070 181 C 13 S 0.044044 -0.005166 -0.004568 -0.020644 0.027846 182 C 13 S 0.102528 -0.075328 0.038500 -0.032455 0.027926 183 C 13 S -1.003468 -0.368608 0.584629 0.479265 -0.619488 184 C 13 X -0.197294 0.109763 -0.027480 0.061559 0.126836 185 C 13 Y 0.082006 0.242308 0.361929 -0.054795 -0.061706 186 C 13 Z -0.033780 -0.181481 0.189246 0.069568 -0.133899 187 C 13 X -1.058376 0.298404 0.173373 0.481716 0.028444 188 C 13 Y 0.672978 0.488203 1.228920 -0.381216 -0.103514 189 C 13 Z -0.288415 -0.727631 0.728858 0.111962 -0.709657 190 C 13 XX 0.003991 0.018761 -0.012791 -0.009956 -0.006620 191 C 13 YY -0.013530 0.001269 0.007725 0.002877 -0.006732 192 C 13 ZZ 0.009538 -0.020030 0.005066 0.007079 0.013352 193 C 13 XY -0.004747 -0.017276 -0.042914 0.004119 0.027816 194 C 13 XZ 0.012984 -0.000499 -0.010827 -0.006406 -0.003117 195 C 13 YZ -0.003893 -0.011631 -0.012634 0.005597 0.012063 196 C 14 S -0.032721 0.035082 0.024403 0.016821 0.017697 197 C 14 S 0.140411 0.119541 0.104766 -0.031021 0.118784 198 C 14 S 3.320537 -1.091126 -0.341974 -1.031043 0.500427 199 C 14 X 0.134894 -0.196828 -0.184118 0.013329 0.053534 200 C 14 Y 0.005108 -0.062787 -0.155347 -0.041541 -0.141000 201 C 14 Z -0.013669 0.033786 -0.312760 -0.016453 0.177941 202 C 14 X 0.768710 -1.682410 -0.963495 -0.044532 0.056261 203 C 14 Y 1.459753 -0.607740 -0.577652 -0.704126 0.140043 204 C 14 Z -0.262564 0.226858 -0.947947 0.118818 0.382401 205 C 14 XX 0.007369 -0.028728 0.012922 -0.002582 0.008113 206 C 14 YY 0.010015 0.006715 -0.020138 -0.007884 0.009853 207 C 14 ZZ -0.017384 0.022013 0.007216 0.010466 -0.017965 208 C 14 XY -0.017965 0.024726 0.012524 -0.008336 -0.033289 209 C 14 XZ 0.004150 -0.003488 -0.013730 -0.001181 0.025911 210 C 14 YZ -0.007102 -0.002927 -0.002744 0.000556 -0.011922 211 F 15 S -0.003906 0.016414 -0.001568 0.001511 0.004830 212 F 15 S 0.012421 -0.009860 0.025233 0.013811 -0.020105 213 F 15 S 0.115744 -0.339988 0.131882 0.017839 -0.185772 214 F 15 X -0.006924 -0.099285 -0.038945 0.027090 -0.026155 215 F 15 Y 0.041317 0.009661 0.000701 -0.002519 0.011688 216 F 15 Z -0.026584 0.047946 -0.047292 -0.033429 0.041145 217 F 15 X -0.008386 -0.163233 -0.082139 0.055999 -0.016449 218 F 15 Y 0.059374 0.059754 0.009057 0.003583 0.032068 219 F 15 Z -0.079026 0.142114 -0.124074 -0.035080 0.097067 220 F 15 XX 0.001529 -0.001601 0.001046 0.000995 -0.000749 221 F 15 YY -0.000510 -0.000519 0.000964 0.000901 -0.001356 222 F 15 ZZ -0.001020 0.002119 -0.002010 -0.001896 0.002105 223 F 15 XY -0.001841 -0.000278 0.003349 0.000793 -0.001618 224 F 15 XZ -0.003439 -0.006222 -0.005024 0.004367 -0.000156 225 F 15 YZ 0.003130 0.000431 0.001293 -0.000061 0.000690 226 F 16 S -0.005410 -0.012385 -0.006946 -0.003365 -0.004612 227 F 16 S 0.031525 0.018433 0.055699 -0.001414 -0.001117 228 F 16 S 0.219374 0.319961 0.347335 0.056419 0.096818 229 F 16 X 0.043968 -0.022416 -0.036210 -0.007110 0.015403 230 F 16 Y -0.045878 -0.029237 -0.106296 -0.008167 -0.003966 231 F 16 Z 0.070597 -0.022954 0.032741 0.007567 -0.001378 232 F 16 X 0.040171 -0.051296 -0.074543 0.028263 0.030762 233 F 16 Y -0.080499 -0.093498 -0.224819 -0.021374 0.005521 234 F 16 Z 0.108271 0.004088 0.092070 0.011040 -0.005647 235 F 16 XX 0.003370 -0.003036 0.003490 0.000392 -0.000752 236 F 16 YY -0.002649 0.000297 -0.005335 0.000824 -0.000535 237 F 16 ZZ -0.000722 0.002740 0.001845 -0.001216 0.001288 238 F 16 XY 0.001252 -0.000526 -0.001307 0.000644 0.002577 239 F 16 XZ 0.000553 0.004811 0.004347 -0.002435 -0.000998 240 F 16 YZ 0.004439 -0.002133 0.002104 -0.000176 -0.000602 241 F 17 S -0.001987 0.000728 0.014378 0.001585 -0.005110 242 F 17 S -0.004046 -0.042435 -0.066192 -0.005669 -0.005317 243 F 17 S 0.038754 -0.171771 -0.528171 -0.062069 0.087053 244 F 17 X -0.034398 0.097801 0.006606 0.007299 0.030998 245 F 17 Y -0.077592 -0.037524 -0.116123 0.017740 -0.016708 246 F 17 Z -0.022277 -0.053466 -0.075550 -0.006002 -0.030874 247 F 17 X -0.073637 0.167342 0.044744 0.015413 0.022502 248 F 17 Y -0.138413 -0.045767 -0.215219 0.040083 0.018560 249 F 17 Z 0.020384 -0.121847 -0.153899 -0.034266 -0.027083 250 F 17 XX -0.003800 -0.000315 -0.003653 0.000356 -0.004338 251 F 17 YY 0.003336 -0.001201 0.005233 -0.000688 -0.000737 252 F 17 ZZ 0.000465 0.001516 -0.001580 0.000333 0.005075 253 F 17 XY 0.002774 -0.003148 0.001955 -0.000117 0.000775 254 F 17 XZ 0.003180 -0.004930 -0.004502 0.000036 0.001311 255 F 17 YZ 0.005654 0.000551 0.005523 -0.001657 0.003385 256 F 18 S -0.000949 0.006756 -0.010858 0.001433 0.003432 257 F 18 S 0.006791 -0.055239 -0.001767 0.001415 -0.036073 258 F 18 S 0.052498 -0.345174 0.194992 -0.026163 -0.206507 259 F 18 X -0.020950 0.015066 0.079848 0.008345 -0.050076 260 F 18 Y -0.049286 -0.003201 0.048156 0.027469 -0.027825 261 F 18 Z 0.041468 0.079274 0.014973 -0.013584 0.079113 262 F 18 X -0.053813 0.062485 0.131367 0.007735 -0.072560 263 F 18 Y -0.116618 0.000537 0.110928 0.065074 -0.051582 264 F 18 Z 0.019128 0.196491 -0.002116 -0.004276 0.109426 265 F 18 XX -0.002713 -0.000620 -0.001583 0.000940 -0.002518 266 F 18 YY -0.001438 -0.001515 -0.002235 0.000589 -0.002631 267 F 18 ZZ 0.004152 0.002135 0.003818 -0.001529 0.005150 268 F 18 XY 0.000537 0.003393 -0.002339 -0.000552 0.003611 269 F 18 XZ -0.005281 0.004618 0.006108 0.000807 -0.005767 270 F 18 YZ -0.003791 0.001705 0.003839 0.002437 -0.001829 271 C 19 S -0.009259 0.021838 -0.001792 0.002951 0.038483 272 C 19 S -0.028629 0.048357 -0.002329 0.018687 0.079078 273 C 19 S -0.049108 -0.061317 -0.059027 0.071179 -0.563636 274 C 19 X 0.040325 -0.055784 0.005411 -0.046636 -0.053386 275 C 19 Y 0.051269 -0.036196 -0.002462 0.020277 -0.084052 276 C 19 Z 0.006181 -0.021231 0.008469 0.017462 0.010844 277 C 19 X 0.280083 0.035024 -0.062670 -0.149551 0.502117 278 C 19 Y -0.050288 0.220682 -0.057062 -0.145841 0.427736 279 C 19 Z 0.024012 0.035311 -0.038083 -0.053165 0.037929 280 C 19 XX 0.024507 -0.016762 0.004026 -0.029403 0.005792 281 C 19 YY -0.008641 0.008838 -0.006513 0.008339 -0.007721 282 C 19 ZZ -0.015866 0.007924 0.002486 0.021064 0.001929 283 C 19 XY 0.009029 0.000069 -0.003481 0.005695 -0.002862 284 C 19 XZ 0.007980 -0.002491 0.001267 0.000389 -0.000580 285 C 19 YZ 0.004664 -0.010817 0.007175 0.005833 0.013854 286 H 20 S 0.046445 -0.084894 0.033705 -0.084589 -0.040061 287 H 20 S -0.336029 0.160537 0.011418 0.267960 -0.201519 288 H 20 X 0.011270 -0.008308 0.002622 -0.008008 -0.000812 289 H 20 Y 0.002892 -0.005019 0.001253 0.005593 -0.003005 290 H 20 Z 0.002639 -0.000935 0.000005 0.000896 -0.001851 291 H 21 S -0.020612 0.029854 -0.019344 0.042558 -0.088207 292 H 21 S 0.071901 -0.115550 0.035824 -0.018761 0.073987 293 H 21 X -0.002708 0.000428 -0.001199 0.006241 -0.002360 294 H 21 Y -0.002445 0.003143 -0.004097 -0.001265 -0.005974 295 H 21 Z 0.007006 -0.000679 -0.000648 -0.001302 0.002693 296 C 22 S 0.029575 0.027190 -0.006677 0.026746 -0.014933 297 C 22 S 0.054524 0.060184 -0.020775 0.059774 -0.054943 298 C 22 S -0.096035 0.015625 -0.205515 -0.349727 -0.308447 299 C 22 X -0.032758 -0.026643 0.012937 -0.073215 0.063149 300 C 22 Y 0.070375 0.119398 -0.042869 0.098625 -0.114761 301 C 22 Z 0.005460 -0.005581 -0.011179 0.027399 0.026358 302 C 22 X 0.316543 0.239924 -0.180028 0.210113 -0.480443 303 C 22 Y -0.311561 -0.018695 -0.206124 -0.177945 -0.581312 304 C 22 Z -0.022137 -0.015125 0.090190 -0.102208 -0.059580 305 C 22 XX 0.001492 -0.002577 -0.000450 0.008438 -0.005360 306 C 22 YY -0.017601 -0.016403 0.011417 -0.024698 0.026899 307 C 22 ZZ 0.016109 0.018980 -0.010967 0.016261 -0.021539 308 C 22 XY -0.019325 -0.012333 0.011875 0.003440 0.013744 309 C 22 XZ -0.003230 -0.007110 0.000376 0.009476 0.017365 310 C 22 YZ 0.003022 0.004709 -0.003820 -0.008822 -0.006604 311 H 23 S -0.115000 -0.104436 0.048491 -0.037342 0.031593 312 H 23 S 0.077609 0.319922 -0.275711 0.126083 -0.742852 313 H 23 X -0.003905 -0.000162 -0.001561 -0.002179 -0.009285 314 H 23 Y 0.018763 0.011059 -0.009453 0.012052 -0.013397 315 H 23 Z 0.000948 0.000205 0.001126 -0.000129 -0.000756 316 H 24 S -0.026570 -0.017344 -0.028511 0.038905 0.056083 317 H 24 S -0.083796 -0.008574 0.025132 -0.019769 0.059938 318 H 24 X 0.001643 -0.002036 0.000496 0.002869 0.002189 319 H 24 Y -0.002171 0.000077 0.000859 0.000254 0.000865 320 H 24 Z 0.003061 0.003847 -0.002201 0.010774 -0.006464 321 H 25 S 0.000138 0.028171 0.008303 -0.044059 -0.062843 322 H 25 S -0.083759 -0.108072 0.118320 0.002711 0.222722 323 H 25 X 0.003805 0.000268 -0.002014 0.000588 -0.000978 324 H 25 Y -0.007256 -0.001951 0.003363 0.001088 0.001764 325 H 25 Z -0.005216 -0.006147 0.003900 -0.008353 0.009670 326 C 26 S 0.012957 0.000103 -0.008700 0.012127 -0.008430 327 C 26 S 0.014837 0.005396 -0.019220 0.013019 -0.016763 328 C 26 S -0.303610 -0.048238 0.026016 -0.230283 0.170195 329 C 26 X 0.019506 -0.008268 -0.004523 0.037362 0.062318 330 C 26 Y 0.002216 0.001073 0.014984 -0.129583 -0.028148 331 C 26 Z 0.058204 0.024064 -0.027752 0.008886 -0.025631 332 C 26 X -0.130011 0.132714 -0.148688 -0.188696 -0.301437 333 C 26 Y 0.021452 -0.163067 0.038644 0.644938 0.269963 334 C 26 Z -0.242985 0.027554 -0.030952 -0.515655 0.068061 335 C 26 XX 0.008339 -0.004502 -0.004898 0.038411 0.000244 336 C 26 YY -0.004306 0.007399 -0.000019 -0.046418 -0.004203 337 C 26 ZZ -0.004032 -0.002897 0.004917 0.008007 0.003960 338 C 26 XY 0.017052 0.001929 -0.011611 0.007005 -0.025328 339 C 26 XZ 0.004859 0.001233 0.003476 -0.014650 -0.016866 340 C 26 YZ 0.017566 -0.004440 -0.008509 0.050364 0.002083 341 H 27 S 0.034988 -0.026913 -0.033260 0.075100 -0.103673 342 H 27 S -0.026212 -0.028353 0.012981 0.016898 0.102975 343 H 27 X -0.006228 -0.000223 0.006090 -0.009886 -0.001836 344 H 27 Y -0.005296 -0.003692 0.004879 0.016829 0.011360 345 H 27 Z -0.006567 0.009074 -0.009947 -0.008116 0.001526 346 H 28 S -0.114312 0.019195 0.037732 -0.372689 -0.024020 347 H 28 S 0.012018 0.106086 -0.108527 -0.093200 -0.133028 348 H 28 X 0.003897 0.003737 -0.003729 -0.001410 -0.008526 349 H 28 Y -0.002647 0.004976 -0.001882 -0.018325 -0.000317 350 H 28 Z 0.009535 0.003299 -0.008616 0.002177 -0.006244 351 H 29 S -0.008827 0.001442 -0.037400 0.150228 0.145550 352 H 29 S 0.156963 0.023169 0.028139 -0.076700 0.008788 353 H 29 X -0.004877 -0.007081 0.003766 0.008270 0.000988 354 H 29 Y 0.005166 -0.002111 -0.002165 0.013675 -0.009066 355 H 29 Z -0.005526 -0.011817 0.011103 -0.004097 0.000936 356 C 30 S -0.003967 0.009565 0.020806 -0.004223 0.018053 357 C 30 S -0.009058 0.022117 0.048987 -0.004303 0.058086 358 C 30 S 0.078732 -0.022541 -0.243499 -0.004808 -0.026032 359 C 30 X 0.038270 -0.016589 -0.020488 -0.008128 -0.035330 360 C 30 Y -0.073400 0.008899 -0.036568 -0.097999 -0.052847 361 C 30 Z -0.031094 -0.034042 -0.051343 0.043312 -0.047910 362 C 30 X 0.182394 -0.193962 0.244888 -0.160620 0.235902 363 C 30 Y 0.093100 -0.116087 0.222248 0.609892 0.370500 364 C 30 Z -0.118651 0.036516 0.251901 -0.264345 -0.194970 365 C 30 XX -0.019464 -0.019817 -0.001084 -0.040595 -0.006230 366 C 30 YY 0.017637 0.007046 0.001582 0.041279 0.013490 367 C 30 ZZ 0.001827 0.012771 -0.000498 -0.000684 -0.007260 368 C 30 XY -0.013363 0.005297 -0.017215 0.012215 -0.000878 369 C 30 XZ -0.001440 -0.007060 0.002154 0.014962 0.017060 370 C 30 YZ -0.035593 -0.018710 0.002806 -0.061186 0.000504 371 H 31 S 0.177559 0.015164 0.011199 0.359184 0.049119 372 H 31 S -0.115840 -0.091711 0.075338 0.039074 0.147512 373 H 31 X 0.005052 -0.005885 0.011456 -0.005713 0.003575 374 H 31 Y -0.011418 -0.008155 0.005689 -0.019982 -0.003232 375 H 31 Z 0.007240 0.005201 -0.002915 0.008286 -0.017426 376 H 32 S -0.049797 -0.044804 -0.003930 -0.176046 -0.022454 377 H 32 S 0.248561 0.011825 -0.012737 -0.107351 0.050702 378 H 32 X -0.003847 0.013884 -0.000165 0.013054 0.009180 379 H 32 Y 0.010975 -0.005610 0.007038 0.004492 0.003999 380 H 32 Z -0.009094 0.006784 -0.007532 -0.015273 -0.013725 381 H 33 S -0.092646 -0.015069 -0.095900 -0.044628 -0.009929 382 H 33 S -0.027725 0.169032 -0.074897 -0.012829 0.001017 383 H 33 X -0.006464 -0.006091 -0.003233 -0.005649 -0.005089 384 H 33 Y 0.002118 0.001135 -0.005562 0.018059 0.004822 385 H 33 Z -0.002947 -0.007298 0.005733 -0.007370 0.023142 386 H 34 S -0.027776 -0.029275 0.037137 0.075770 -0.006912 387 H 34 S 0.049223 -0.034223 0.005408 -0.074421 -0.033506 388 H 34 X -0.000804 -0.000495 -0.000266 0.003896 -0.003866 389 H 34 Y -0.000337 -0.001426 0.000037 -0.005134 -0.002045 390 H 34 Z -0.006294 -0.001414 0.002576 0.001851 -0.000785 391 F 35 S 0.007463 -0.010367 0.001740 -0.004992 -0.007426 392 F 35 S -0.041131 0.037149 -0.005373 0.003301 0.026221 393 F 35 S -0.294778 0.342519 -0.055578 0.105400 0.241984 394 F 35 X -0.043678 0.094381 -0.048037 -0.006166 0.063873 395 F 35 Y -0.078053 0.051985 -0.043435 0.023762 0.017004 396 F 35 Z 0.069475 0.008055 -0.036108 -0.034190 0.011268 397 F 35 X -0.081114 0.183112 -0.061506 0.007073 0.151322 398 F 35 Y -0.125278 0.014238 -0.134063 0.040682 0.023790 399 F 35 Z 0.122241 0.016090 -0.081407 -0.051566 0.030087 400 F 35 XX 0.000200 -0.006263 0.004459 0.001458 -0.003059 401 F 35 YY -0.001393 0.003620 -0.000494 -0.000066 0.000755 402 F 35 ZZ 0.001193 0.002643 -0.003965 -0.001392 0.002304 403 F 35 XY 0.003006 0.001113 0.007021 -0.000943 -0.001666 404 F 35 XZ -0.002591 -0.000226 0.002107 0.001539 -0.000686 405 F 35 YZ -0.002908 -0.002559 -0.005188 0.001975 0.001246 406 F 36 S 0.000604 0.012244 -0.007332 0.000944 0.007914 407 F 36 S -0.029006 -0.010406 0.021726 0.017152 -0.021491 408 F 36 S -0.108418 -0.277663 0.224890 0.039075 -0.242462 409 F 36 X 0.078488 -0.017941 -0.020021 -0.038832 -0.024984 410 F 36 Y -0.034884 0.003715 -0.040605 0.020256 0.018540 411 F 36 Z -0.034578 -0.033675 0.029040 0.026676 -0.026372 412 F 36 X 0.120556 -0.024252 -0.030938 -0.047480 -0.006141 413 F 36 Y -0.057059 -0.024680 -0.118412 0.032651 0.032064 414 F 36 Z -0.062982 -0.093364 0.074392 0.032092 -0.088159 415 F 36 XX 0.000051 -0.000498 0.000534 0.000928 0.000861 416 F 36 YY -0.000036 -0.002113 -0.001148 0.000599 -0.000662 417 F 36 ZZ -0.000015 0.002611 0.000614 -0.001527 -0.000199 418 F 36 XY -0.002091 -0.000473 -0.004465 0.000851 0.000256 419 F 36 XZ -0.005454 0.002250 -0.000377 0.001960 0.002793 420 F 36 YZ 0.002292 0.003414 0.007201 -0.001452 -0.002080 421 C 37 S -0.044009 0.009125 0.007658 -0.069206 0.008949 422 C 37 S -0.062554 -0.033449 0.036995 -0.157384 0.071768 423 C 37 S 0.857853 -0.587373 0.064123 0.334125 0.834880 424 C 37 X 0.034858 0.035548 -0.015925 0.056698 -0.038761 425 C 37 Y 0.019937 -0.031825 0.001564 -0.055383 -0.008270 426 C 37 Z -0.021565 -0.060916 0.013313 -0.088166 0.001672 427 C 37 X -0.303433 0.511249 -0.218237 -0.464097 -0.277079 428 C 37 Y 0.965916 -0.421996 0.039489 -0.604614 0.875338 429 C 37 Z 0.293602 -0.096369 0.044927 -0.091566 0.059184 430 C 37 XX -0.015447 0.003043 0.004164 -0.025441 0.055148 431 C 37 YY 0.002929 -0.001827 -0.006133 -0.008920 -0.049789 432 C 37 ZZ 0.012518 -0.001216 0.001969 0.034360 -0.005358 433 C 37 XY -0.004258 0.008431 -0.009510 0.001766 -0.000603 434 C 37 XZ 0.005441 0.001349 -0.008356 0.002214 -0.000402 435 C 37 YZ -0.004155 -0.003826 0.004489 -0.010873 -0.006332 436 S 38 S -0.001533 0.009581 -0.007936 -0.025197 -0.000012 437 S 38 S -0.013866 0.066085 -0.055103 -0.182323 -0.001530 438 S 38 S -0.052079 0.064791 -0.055952 -0.254276 -0.009359 439 S 38 S -0.017583 -0.615581 0.323363 0.619272 -0.282093 440 S 38 X -0.014808 0.013377 -0.010621 0.006005 0.004575 441 S 38 Y -0.006867 -0.010600 0.015184 0.025737 0.007282 442 S 38 Z 0.002324 -0.009921 -0.002270 -0.003298 -0.000321 443 S 38 X -0.136980 0.069232 -0.044692 0.061663 0.032592 444 S 38 Y -0.029743 -0.056961 0.074051 0.168950 0.021140 445 S 38 Z 0.017094 -0.062416 -0.028094 -0.021976 -0.004225 446 S 38 X -0.100674 -0.129309 0.136873 -0.050599 -0.231412 447 S 38 Y -0.088209 0.504570 -0.244417 -0.285539 0.014464 448 S 38 Z -0.048607 0.041595 -0.034466 0.000165 0.025492 449 S 38 XX 0.010725 -0.008465 0.008358 -0.063926 -0.030268 450 S 38 YY 0.011079 -0.000269 -0.023109 -0.020255 0.008095 451 S 38 ZZ -0.021804 0.008734 0.014752 0.084181 0.022172 452 S 38 XY 0.011188 -0.119585 0.051873 -0.062065 -0.028829 453 S 38 XZ 0.018246 -0.034364 -0.006134 -0.001664 0.008159 454 S 38 YZ 0.014566 -0.023461 -0.060263 -0.019464 -0.009141 455 S 38 XX 0.001704 -0.000916 0.000062 -0.006264 -0.004001 456 S 38 YY 0.002307 0.002622 -0.004257 -0.006759 0.001818 457 S 38 ZZ -0.004011 -0.001706 0.004195 0.013023 0.002184 458 S 38 XY 0.004390 -0.018397 0.006678 -0.012604 -0.005447 459 S 38 XZ 0.002485 -0.004487 -0.000616 0.000122 0.001825 460 S 38 YZ 0.001057 -0.003184 -0.008269 -0.003074 0.000125 461 H 39 S 0.002617 0.070153 -0.011630 -0.083832 0.132308 462 H 39 S 0.211642 -0.350145 0.097747 0.101066 0.042188 463 H 39 X -0.005846 0.006456 -0.002138 -0.011777 0.020703 464 H 39 Y 0.004418 0.008653 -0.008431 -0.002698 0.003231 465 H 39 Z 0.001682 0.000398 -0.004454 -0.008714 -0.005578 146 147 148 149 150 0.5487 0.5627 0.5667 0.5791 0.5834 A A A A A 1 C 1 S -0.013467 -0.058403 0.013674 -0.003596 0.004749 2 C 1 S 0.037336 -0.109221 0.052751 0.030585 0.010517 3 C 1 S -0.569465 0.140097 0.330740 0.561556 0.403027 4 C 1 X -0.000489 -0.008874 0.030571 -0.048270 -0.083072 5 C 1 Y 0.074075 -0.088809 0.056474 0.031354 0.043585 6 C 1 Z -0.011104 -0.038950 -0.030739 0.047859 0.111291 7 C 1 X -0.141289 0.102585 -0.718163 -0.770653 -0.500003 8 C 1 Y 0.914593 0.576918 0.297168 0.391349 -0.094656 9 C 1 Z 0.038195 0.030740 -0.002309 0.026803 0.122611 10 C 1 XX -0.010823 -0.033017 0.006994 0.001623 0.015263 11 C 1 YY -0.042013 0.027756 0.008279 -0.015941 -0.018479 12 C 1 ZZ 0.052836 0.005261 -0.015273 0.014318 0.003216 13 C 1 XY 0.079388 0.032806 0.037850 0.002391 -0.016467 14 C 1 XZ -0.004417 0.002999 0.026287 0.004341 -0.018176 15 C 1 YZ -0.006818 0.002797 0.006455 -0.019351 0.011882 16 C 2 S -0.025977 -0.010612 -0.014330 0.050592 -0.000490 17 C 2 S -0.099528 -0.014509 -0.067242 0.050591 -0.037279 18 C 2 S 0.487150 -0.464517 -0.977365 -1.561851 0.109094 19 C 2 X -0.111186 -0.154146 -0.058695 -0.042404 0.072130 20 C 2 Y -0.040716 0.065908 -0.047744 0.033496 -0.077332 21 C 2 Z -0.050854 -0.005043 -0.055854 0.067777 0.129383 22 C 2 X 0.499888 0.575009 -0.353331 -0.697416 -0.954305 23 C 2 Y -0.140739 -0.401802 -0.345501 -0.640294 0.448200 24 C 2 Z 0.143378 0.009794 0.121647 -0.132598 -0.154771 25 C 2 XX 0.008459 -0.008173 -0.014806 0.012912 0.007089 26 C 2 YY -0.010937 -0.014433 -0.015019 -0.017170 0.020139 27 C 2 ZZ 0.002477 0.022606 0.029825 0.004258 -0.027228 28 C 2 XY -0.050422 -0.019812 -0.012333 -0.000136 0.025985 29 C 2 XZ 0.002047 -0.003806 -0.010048 -0.009353 0.017466 30 C 2 YZ 0.002545 0.005624 -0.026455 0.021963 0.011414 31 C 3 S -0.022499 0.024034 -0.106386 0.014743 0.024281 32 C 3 S 0.063567 0.035848 -0.183785 0.094902 0.098908 33 C 3 S 3.522794 0.203046 1.589896 1.222996 0.141800 34 C 3 X -0.030568 -0.068204 0.021395 -0.072715 0.082325 35 C 3 Y -0.028757 0.024504 0.001613 0.023718 0.085979 36 C 3 Z -0.041116 0.010565 -0.139339 0.201438 0.045111 37 C 3 X -2.963691 -1.961216 -0.265974 0.038671 0.653182 38 C 3 Y 1.384150 -1.179836 -0.175171 -0.681617 0.982916 39 C 3 Z -0.369624 -0.256491 -0.004795 0.041654 0.117874 40 C 3 XX -0.001861 -0.026947 -0.058399 -0.011420 0.026630 41 C 3 YY 0.024098 0.027945 0.001905 0.030349 -0.034816 42 C 3 ZZ -0.022237 -0.000998 0.056494 -0.018929 0.008186 43 C 3 XY 0.025341 -0.046483 0.011342 -0.012015 0.004573 44 C 3 XZ -0.002044 -0.013739 0.002793 -0.017856 -0.019321 45 C 3 YZ 0.004458 -0.010624 0.018751 -0.029072 -0.029019 46 C 4 S 0.032479 -0.050586 -0.012024 0.003821 0.025773 47 C 4 S 0.079780 -0.053233 -0.056939 0.006491 0.015052 48 C 4 S -0.479718 2.109297 -0.066488 -0.101215 -1.078408 49 C 4 X -0.021502 0.090375 0.063482 0.067964 0.073347 50 C 4 Y -0.036492 -0.007000 0.023099 0.024494 0.032920 51 C 4 Z -0.174854 -0.026976 0.126344 0.047979 -0.035746 52 C 4 X 0.275354 -1.368172 0.637403 -0.235651 0.226318 53 C 4 Y -1.226953 -0.490960 -0.229231 0.001057 0.263017 54 C 4 Z 0.078613 -0.646021 0.092474 0.279214 0.621474 55 C 4 XX 0.053099 -0.001052 0.002034 -0.024062 -0.008554 56 C 4 YY -0.001940 0.028377 -0.038380 -0.058396 -0.003132 57 C 4 ZZ -0.051159 -0.027325 0.036346 0.082458 0.011685 58 C 4 XY -0.004347 0.016797 -0.024145 0.047055 0.051256 59 C 4 XZ 0.014581 0.028187 -0.022149 0.001326 0.033745 60 C 4 YZ 0.001262 -0.027058 0.034786 0.018733 0.002959 61 S 5 S 0.013091 -0.010202 0.032156 -0.020264 -0.013242 62 S 5 S 0.090568 -0.079858 0.234481 -0.148092 -0.091675 63 S 5 S 0.084902 -0.159900 0.341287 -0.220460 -0.090485 64 S 5 S -0.705779 -0.107711 -0.596845 0.365528 0.508096 65 S 5 X -0.007071 -0.019873 -0.011522 0.013051 0.041506 66 S 5 Y 0.000173 -0.039608 -0.002731 -0.007834 -0.006190 67 S 5 Z -0.001546 -0.000354 0.029592 -0.023791 0.005061 68 S 5 X -0.039660 -0.097833 -0.048893 0.078301 0.222324 69 S 5 Y 0.031905 -0.273613 0.006683 -0.065519 -0.046454 70 S 5 Z -0.039679 -0.028134 0.198846 -0.113309 0.020003 71 S 5 X 0.407419 0.360843 0.344538 -0.093670 -0.499063 72 S 5 Y 0.126789 0.497652 -0.204172 0.012421 -0.042554 73 S 5 Z -0.187038 0.017847 -0.152308 0.196651 -0.056000 74 S 5 XX -0.068154 0.041172 0.091289 -0.011908 -0.042076 75 S 5 YY 0.055469 -0.110119 0.087982 -0.019881 -0.012340 76 S 5 ZZ 0.012685 0.068947 -0.179271 0.031789 0.054416 77 S 5 XY 0.054470 -0.026545 0.023985 -0.002789 0.017140 78 S 5 XZ -0.125503 -0.061770 0.053958 0.131824 -0.025220 79 S 5 YZ 0.115120 0.010806 -0.120293 -0.061669 0.053413 80 S 5 XX -0.006910 0.009514 0.014582 -0.001046 -0.009211 81 S 5 YY 0.007158 -0.014392 0.010692 -0.004079 -0.002113 82 S 5 ZZ -0.000249 0.004878 -0.025274 0.005124 0.011323 83 S 5 XY 0.008583 0.003017 0.001051 0.003268 0.004446 84 S 5 XZ -0.018807 -0.007070 0.004680 0.017767 -0.002620 85 S 5 YZ 0.015448 -0.000925 -0.013703 -0.008746 0.006018 86 H 6 S -0.176876 -0.088053 -0.100237 0.013206 0.086588 87 H 6 S 0.117021 0.068978 -0.180008 -0.440225 -0.371745 88 H 6 X 0.011816 0.004773 0.014145 -0.005244 -0.016416 89 H 6 Y 0.020437 0.024896 0.012282 0.001704 -0.017741 90 H 6 Z -0.003379 0.001031 0.003346 -0.000166 0.000988 91 C 7 S 0.019035 -0.027252 -0.003215 0.043795 -0.055932 92 C 7 S -0.003153 -0.057558 -0.023615 0.134172 -0.136606 93 C 7 S -2.696997 -0.256318 -0.767459 -0.400848 -0.115332 94 C 7 X -0.042458 0.068168 0.059667 0.011992 0.044172 95 C 7 Y 0.009544 0.019143 -0.003551 0.042592 -0.070670 96 C 7 Z -0.019079 0.124030 0.073558 -0.112752 0.060993 97 C 7 X 0.882821 -0.020113 0.753414 1.382626 0.575489 98 C 7 Y 1.767140 -0.899305 0.224748 -0.549509 0.332548 99 C 7 Z -0.186455 -0.018626 -0.288290 -0.298125 -0.122096 100 C 7 XX -0.016721 0.009962 0.007622 0.038643 -0.029323 101 C 7 YY 0.000728 -0.035069 -0.015518 -0.044980 -0.005112 102 C 7 ZZ 0.015994 0.025107 0.007896 0.006337 0.034435 103 C 7 XY -0.004833 -0.038916 -0.008316 -0.011740 -0.000613 104 C 7 XZ 0.015558 -0.015248 0.005614 -0.021814 0.008082 105 C 7 YZ -0.010846 0.010088 0.019581 0.019347 0.004291 106 C 8 S -0.029496 0.019974 0.046866 0.000122 0.045202 107 C 8 S -0.073849 0.070957 0.087803 -0.044066 0.066358 108 C 8 S -0.068750 1.059474 -0.575054 -1.116039 -0.869906 109 C 8 X -0.028756 0.044484 -0.020714 -0.077957 0.003384 110 C 8 Y 0.108558 -0.172777 -0.036011 0.020106 0.023936 111 C 8 Z 0.015038 -0.030337 -0.041859 -0.017762 -0.161125 112 C 8 X -0.295785 0.402081 0.000896 -0.173092 -0.055537 113 C 8 Y 0.131591 -1.136786 0.631705 1.262497 1.189080 114 C 8 Z 0.032384 -0.292581 0.207902 0.335856 0.315441 115 C 8 XX 0.012154 -0.026389 0.004245 -0.000373 -0.039058 116 C 8 YY -0.023377 0.036574 0.012805 -0.009309 0.035539 117 C 8 ZZ 0.011222 -0.010185 -0.017050 0.009682 0.003519 118 C 8 XY -0.006988 -0.012277 0.011473 0.002115 0.020272 119 C 8 XZ -0.008003 0.031359 -0.029797 -0.035297 -0.037026 120 C 8 YZ -0.006512 0.024069 -0.000925 -0.027077 0.038176 121 C 9 S -0.034644 0.020832 0.004415 0.035332 -0.017238 122 C 9 S -0.039465 0.044026 0.022443 0.022628 -0.042550 123 C 9 S 1.522245 -0.406331 -0.102430 -1.479969 0.289810 124 C 9 X 0.074338 -0.042481 0.017812 -0.077265 0.049070 125 C 9 Y 0.055035 -0.014966 0.050459 0.003149 -0.041047 126 C 9 Z -0.016460 0.082409 -0.046547 -0.099840 -0.046556 127 C 9 X -0.166697 0.842032 0.228874 0.300103 0.508412 128 C 9 Y -0.357585 1.236152 -0.623164 -1.216780 -0.420951 129 C 9 Z 0.766745 -0.186532 0.244668 -0.057768 -0.149057 130 C 9 XX -0.013920 0.011756 -0.002436 -0.007449 -0.026437 131 C 9 YY 0.006588 0.026445 0.000570 0.017212 0.011670 132 C 9 ZZ 0.007332 -0.038201 0.001866 -0.009763 0.014767 133 C 9 XY 0.014252 -0.007455 0.003687 -0.029258 0.001571 134 C 9 XZ -0.000332 -0.007364 -0.005184 0.032937 0.006445 135 C 9 YZ -0.028983 0.002432 0.014107 -0.000960 -0.002913 136 C 10 S 0.036358 0.017622 -0.011475 0.060603 -0.033523 137 C 10 S 0.066946 -0.031639 -0.058776 0.124897 -0.001944 138 C 10 S -0.273738 -2.468296 -0.556010 -0.554222 1.437985 139 C 10 X 0.050263 -0.107095 0.004586 -0.007708 0.027543 140 C 10 Y -0.055644 0.054009 0.066154 0.026602 -0.059259 141 C 10 Z -0.032988 0.031656 0.031724 0.136292 0.102435 142 C 10 X 4.075384 0.070219 0.979810 0.027193 0.640227 143 C 10 Y 0.447571 1.873367 1.224465 2.078227 -0.293253 144 C 10 Z -0.416075 -0.021679 -0.121044 0.168066 -0.136467 145 C 10 XX -0.018057 -0.014770 -0.012183 -0.011817 0.002214 146 C 10 YY 0.031653 -0.005367 -0.007453 0.025664 -0.016091 147 C 10 ZZ -0.013596 0.020137 0.019636 -0.013847 0.013878 148 C 10 XY 0.011886 0.003638 -0.016308 0.000961 -0.011057 149 C 10 XZ -0.004927 0.016326 0.014327 -0.017320 -0.004139 150 C 10 YZ -0.018092 0.002418 0.003312 -0.000625 0.000856 151 C 11 S 0.046937 -0.004475 -0.079516 0.033683 -0.006960 152 C 11 S -0.001679 -0.015527 -0.198126 0.080025 -0.049694 153 C 11 S -2.684813 0.364339 0.605083 1.383589 -0.016368 154 C 11 X -0.110581 0.094859 -0.043223 0.063166 -0.000853 155 C 11 Y 0.098737 0.143377 0.128400 0.161338 -0.067322 156 C 11 Z 0.050039 0.066993 -0.063083 -0.004431 0.108607 157 C 11 X -3.897267 -0.365706 -0.523972 -0.581405 -0.855267 158 C 11 Y 1.113729 2.734987 1.150810 1.529790 -1.088611 159 C 11 Z 0.097672 -0.013681 0.152731 -0.207249 -0.096963 160 C 11 XX 0.017060 0.015580 0.011247 0.034966 0.006963 161 C 11 YY -0.004126 0.004134 -0.029926 0.016233 -0.004807 162 C 11 ZZ -0.012934 -0.019714 0.018678 -0.051199 -0.002156 163 C 11 XY 0.011540 0.018725 0.010286 -0.002806 -0.007592 164 C 11 XZ 0.004185 -0.001047 -0.004657 0.004954 -0.002180 165 C 11 YZ 0.013496 -0.001589 0.018879 -0.013779 0.003679 166 C 12 S -0.047286 -0.027382 -0.013375 0.008720 0.003523 167 C 12 S 0.013205 -0.055093 0.008251 0.032947 0.028525 168 C 12 S 3.052809 0.588275 0.909036 0.151175 0.281909 169 C 12 X 0.044094 -0.083799 -0.002799 -0.086258 0.009364 170 C 12 Y 0.125873 -0.068791 0.078873 0.109819 0.206586 171 C 12 Z 0.047466 0.029687 -0.028897 -0.032748 0.078080 172 C 12 X 1.601142 -0.148716 0.179743 -0.573918 -0.025498 173 C 12 Y -0.781172 -0.734751 -0.784118 -0.685648 -0.124664 174 C 12 Z -0.540629 -0.204473 -0.254365 -0.326732 -0.080565 175 C 12 XX 0.039143 0.021268 0.022700 0.015778 0.011966 176 C 12 YY 0.002330 0.001697 -0.008248 0.004411 0.008706 177 C 12 ZZ -0.041473 -0.022966 -0.014452 -0.020188 -0.020673 178 C 12 XY 0.004533 -0.001080 0.029185 0.005569 0.015539 179 C 12 XZ 0.009462 -0.007680 0.001779 0.019212 0.020519 180 C 12 YZ 0.022455 -0.003048 0.016017 0.032506 0.028637 181 C 13 S 0.009674 -0.004719 0.004169 0.010492 -0.001546 182 C 13 S 0.023474 -0.029020 0.005743 0.033606 -0.007017 183 C 13 S -0.124893 -0.199962 -0.189475 0.034210 -0.067187 184 C 13 X -0.112491 -0.038448 -0.085073 0.052039 0.050372 185 C 13 Y 0.106658 -0.031793 0.047996 -0.008628 0.058046 186 C 13 Z 0.063882 0.027503 0.097078 -0.030943 0.075172 187 C 13 X -0.442079 -0.251442 -0.140775 0.118015 0.073285 188 C 13 Y -0.369153 -0.589994 -0.541654 -0.904066 -0.035729 189 C 13 Z 0.261330 -0.158415 -0.038118 -0.024001 -0.015005 190 C 13 XX 0.004515 -0.004839 -0.014190 0.017430 0.003112 191 C 13 YY -0.005199 -0.016514 -0.001005 -0.006781 -0.017236 192 C 13 ZZ 0.000684 0.021353 0.015195 -0.010649 0.014124 193 C 13 XY -0.045528 -0.006824 -0.036485 -0.023718 -0.043211 194 C 13 XZ 0.001670 0.002756 -0.002140 -0.005967 -0.010636 195 C 13 YZ -0.010768 0.012195 -0.007871 -0.014762 -0.030863 196 C 14 S 0.029446 0.009392 0.004294 0.038348 0.003732 197 C 14 S 0.023025 0.080088 0.012957 0.076272 -0.047298 198 C 14 S -1.662194 0.432827 -0.273794 -0.725224 -0.954035 199 C 14 X 0.070297 0.147243 0.079377 0.114156 -0.044585 200 C 14 Y 0.158673 -0.038498 0.062443 0.038727 0.146284 201 C 14 Z -0.083124 0.026267 -0.103475 0.123910 0.027474 202 C 14 X -0.431367 0.666772 0.262514 0.367836 -0.460860 203 C 14 Y -0.742759 -0.460686 -0.407138 -0.792156 -0.223731 204 C 14 Z -0.378499 -0.023334 -0.061625 0.207120 -0.052688 205 C 14 XX -0.021308 -0.017519 -0.020177 -0.035804 -0.023523 206 C 14 YY -0.002654 0.008338 -0.009092 0.024767 0.009966 207 C 14 ZZ 0.023961 0.009181 0.029269 0.011037 0.013557 208 C 14 XY 0.001333 -0.019274 -0.000945 -0.006278 -0.007390 209 C 14 XZ -0.007890 0.010193 -0.024279 0.004078 0.000471 210 C 14 YZ 0.029855 0.010444 0.004814 0.015231 0.024917 211 F 15 S -0.004131 -0.001474 -0.002183 -0.001980 -0.002227 212 F 15 S 0.010410 0.005676 0.013303 0.012358 -0.007111 213 F 15 S 0.129546 0.046446 0.090179 0.099843 0.016220 214 F 15 X -0.036359 0.013822 -0.008325 0.020757 0.002548 215 F 15 Y 0.006502 0.028871 0.029011 -0.002977 -0.019792 216 F 15 Z 0.042926 0.012951 0.001798 0.010891 0.042776 217 F 15 X -0.079387 0.019640 0.004117 0.053610 0.011624 218 F 15 Y 0.049855 0.064462 0.062579 0.051024 -0.000628 219 F 15 Z 0.001184 -0.009698 -0.030713 -0.028629 0.016539 220 F 15 XX -0.004415 -0.001459 -0.001094 -0.000881 -0.001411 221 F 15 YY -0.002573 -0.001327 -0.001568 -0.003264 -0.003553 222 F 15 ZZ 0.006987 0.002786 0.002662 0.004145 0.004964 223 F 15 XY 0.003037 0.000378 0.000881 0.001015 0.000760 224 F 15 XZ -0.005075 0.001086 -0.001031 0.000727 -0.002322 225 F 15 YZ -0.000414 0.002543 0.000136 -0.001316 -0.003092 226 F 16 S 0.000315 -0.002913 -0.008757 -0.005292 -0.002874 227 F 16 S -0.000295 0.013848 -0.003865 -0.010683 -0.016548 228 F 16 S 0.003674 0.123421 0.157961 0.077892 -0.006945 229 F 16 X -0.080956 -0.014554 -0.047270 -0.017538 0.005447 230 F 16 Y 0.028071 -0.001332 0.041159 0.044404 0.050436 231 F 16 Z -0.018826 0.025347 0.009222 -0.013907 -0.027300 232 F 16 X -0.141104 -0.001760 -0.025999 0.014707 0.010503 233 F 16 Y 0.073570 -0.006912 0.008471 0.043691 0.042371 234 F 16 Z 0.029708 0.062586 0.058958 0.038669 -0.019270 235 F 16 XX -0.002515 0.001901 -0.001013 -0.001730 -0.002814 236 F 16 YY 0.002481 -0.000910 0.002980 0.003281 0.001208 237 F 16 ZZ 0.000034 -0.000990 -0.001967 -0.001551 0.001606 238 F 16 XY -0.003173 0.000452 -0.004242 -0.002204 -0.002487 239 F 16 XZ 0.004244 -0.001815 0.000837 -0.000712 0.001417 240 F 16 YZ -0.005035 -0.000495 -0.004165 -0.005279 -0.004964 241 F 17 S 0.008167 0.004644 0.001847 0.005573 0.002448 242 F 17 S -0.004444 -0.019548 -0.014264 0.003324 0.009655 243 F 17 S -0.190044 -0.180697 -0.107709 -0.098371 -0.013640 244 F 17 X 0.022418 0.003852 0.003065 0.011167 -0.013389 245 F 17 Y 0.011720 -0.017546 -0.018499 0.040348 0.040538 246 F 17 Z 0.038489 -0.016471 0.006794 -0.000509 0.044320 247 F 17 X 0.018741 -0.032951 -0.012736 -0.013170 0.020824 248 F 17 Y -0.014743 -0.040998 -0.020044 0.037503 0.021845 249 F 17 Z -0.002686 -0.072738 -0.026986 -0.048069 0.025615 250 F 17 XX 0.003837 -0.001206 0.000320 0.002281 0.005331 251 F 17 YY 0.000429 0.000012 0.001845 -0.003731 -0.002494 252 F 17 ZZ -0.004265 0.001194 -0.002165 0.001449 -0.002836 253 F 17 XY 0.000103 0.000707 0.000747 -0.000452 -0.000758 254 F 17 XZ -0.001026 0.002745 0.001496 0.001695 -0.001560 255 F 17 YZ -0.005582 -0.001430 -0.001996 -0.004808 -0.005867 256 F 18 S -0.006529 -0.002178 -0.002439 0.001578 -0.001311 257 F 18 S 0.009499 -0.013349 0.001225 -0.015665 0.006808 258 F 18 S 0.160568 -0.020372 0.032218 -0.084933 0.048510 259 F 18 X 0.040794 -0.024572 -0.010947 -0.006472 0.019373 260 F 18 Y 0.022746 0.010589 0.011459 0.017574 0.002460 261 F 18 Z -0.041137 0.025199 -0.036854 0.029821 -0.016791 262 F 18 X 0.052866 -0.053077 -0.006224 -0.046199 0.029459 263 F 18 Y 0.072642 0.041852 0.043512 0.045220 0.027236 264 F 18 Z -0.079706 0.029285 -0.022702 0.042115 -0.039578 265 F 18 XX 0.001523 -0.000931 0.002391 -0.000473 0.000981 266 F 18 YY 0.002613 0.000268 0.002094 0.000870 0.001399 267 F 18 ZZ -0.004136 0.000663 -0.004486 -0.000397 -0.002380 268 F 18 XY 0.000138 0.001009 -0.000071 0.000510 0.000086 269 F 18 XZ 0.002728 -0.004099 0.001288 -0.003356 0.001747 270 F 18 YZ 0.000523 0.000597 0.002460 -0.000393 -0.001274 271 C 19 S -0.012011 0.005294 0.011964 0.009525 0.027174 272 C 19 S -0.034374 0.018754 0.025407 0.019451 0.057891 273 C 19 S 0.121941 0.159200 -0.277633 -0.476011 -0.491972 274 C 19 X 0.017830 -0.018106 -0.022808 -0.086546 0.008042 275 C 19 Y 0.072107 -0.058770 -0.051852 0.012683 -0.086868 276 C 19 Z 0.026637 -0.102787 0.052551 0.096138 0.002022 277 C 19 X 0.133849 -0.497493 0.186319 0.529166 0.286563 278 C 19 Y 0.006960 -0.098943 0.086121 -0.185255 0.371137 279 C 19 Z -0.052833 0.328004 -0.211573 -0.398380 0.066169 280 C 19 XX -0.003369 -0.004614 0.005453 -0.029792 0.064793 281 C 19 YY 0.010299 -0.002043 -0.013379 -0.019092 -0.027791 282 C 19 ZZ -0.006930 0.006657 0.007926 0.048883 -0.037001 283 C 19 XY 0.004897 -0.015268 -0.005812 0.003147 -0.008295 284 C 19 XZ -0.004054 0.022007 -0.012590 -0.029892 0.013736 285 C 19 YZ 0.013314 -0.042289 0.025780 0.042389 0.003822 286 H 20 S -0.037769 0.062584 0.006619 -0.177033 0.193829 287 H 20 S -0.118195 0.349539 -0.089460 -0.079243 -0.374861 288 H 20 X -0.001081 0.000243 0.002588 -0.000856 0.020707 289 H 20 Y -0.004852 -0.001589 -0.000135 0.005295 0.002633 290 H 20 Z -0.003609 0.013571 -0.007363 -0.016010 0.006652 291 H 21 S -0.042942 0.212817 -0.120998 -0.095689 -0.094366 292 H 21 S -0.016471 -0.078328 0.090610 0.157125 0.119780 293 H 21 X 0.002152 -0.007349 0.001125 0.015497 -0.013585 294 H 21 Y 0.001888 0.002947 -0.004534 -0.015042 -0.000582 295 H 21 Z 0.008239 -0.010701 -0.003002 -0.011588 0.011489 296 C 22 S -0.067875 -0.005710 -0.021238 -0.013953 0.008280 297 C 22 S -0.157767 -0.011995 -0.050746 -0.032767 0.026021 298 C 22 S 0.864957 0.268594 0.350167 0.319969 -0.084929 299 C 22 X 0.150172 0.074335 0.007863 0.031471 -0.008375 300 C 22 Y -0.175159 0.001532 -0.034608 -0.023169 0.059339 301 C 22 Z -0.031877 -0.000882 -0.029358 0.004264 0.053232 302 C 22 X -0.499544 -0.187654 0.056103 -0.003016 -0.046344 303 C 22 Y 0.627229 -0.008595 0.297507 0.321995 0.222398 304 C 22 Z 0.027190 0.015594 0.150445 0.076190 -0.275813 305 C 22 XX 0.000741 0.003459 0.004103 0.000632 -0.005245 306 C 22 YY -0.001719 -0.029683 -0.012351 -0.014568 -0.012166 307 C 22 ZZ 0.000978 0.026224 0.008248 0.013936 0.017411 308 C 22 XY -0.035274 -0.052296 -0.016828 -0.017004 0.006972 309 C 22 XZ -0.003151 -0.003234 -0.006234 -0.011665 0.028332 310 C 22 YZ -0.004543 -0.004124 -0.006809 0.009677 0.007489 311 H 23 S -0.052359 -0.195248 -0.034979 -0.039919 -0.004796 312 H 23 S 0.034263 0.135130 0.155733 0.203455 0.230584 313 H 23 X 0.001136 0.007043 -0.004462 -0.000559 0.003445 314 H 23 Y -0.000656 0.016931 0.013717 0.006868 -0.005337 315 H 23 Z 0.000818 0.002163 0.005288 0.001705 -0.013386 316 H 24 S 0.117096 0.070246 -0.020007 0.004217 0.189542 317 H 24 S 0.023468 -0.092393 -0.071761 -0.048948 0.049193 318 H 24 X 0.007218 -0.000713 0.006537 -0.003861 0.000257 319 H 24 Y -0.016171 -0.010632 -0.012333 -0.001436 0.004130 320 H 24 Z -0.000416 0.003446 0.005722 0.000689 0.009169 321 H 25 S 0.096692 0.079168 0.090734 0.089899 -0.091960 322 H 25 S -0.066037 -0.069327 -0.043810 -0.039348 0.007892 323 H 25 X 0.003852 0.000936 0.007076 0.005373 -0.013357 324 H 25 Y -0.008641 -0.011433 -0.006811 -0.009693 0.003977 325 H 25 Z 0.001651 -0.004550 -0.005316 -0.008641 -0.007457 326 C 26 S 0.010715 -0.015074 -0.001087 -0.027351 0.011023 327 C 26 S 0.034541 -0.040094 -0.010786 -0.075927 0.036264 328 C 26 S 0.124811 0.120916 0.087021 0.167400 -0.126785 329 C 26 X 0.004928 0.086855 0.032689 -0.019288 0.081397 330 C 26 Y -0.067772 0.012587 0.029049 0.050741 0.036542 331 C 26 Z 0.047584 -0.092745 0.002720 -0.051272 0.034868 332 C 26 X 0.054484 -0.421350 -0.265437 0.161333 -0.493456 333 C 26 Y 0.372231 -0.261252 -0.027123 0.050936 -0.157584 334 C 26 Z 0.031233 0.332459 -0.053647 -0.049788 -0.200540 335 C 26 XX 0.015945 0.016217 -0.004872 -0.031345 -0.002121 336 C 26 YY -0.009803 -0.012472 -0.009161 0.015966 -0.008404 337 C 26 ZZ -0.006142 -0.003745 0.014033 0.015379 0.010525 338 C 26 XY 0.027679 -0.045488 -0.043176 0.007686 -0.075350 339 C 26 XZ 0.003602 -0.009736 -0.014160 0.003799 -0.020961 340 C 26 YZ 0.037275 -0.011693 -0.013571 -0.009219 -0.010951 341 H 27 S 0.131860 -0.115817 -0.204708 -0.013141 -0.342399 342 H 27 S 0.037560 -0.036591 0.016041 0.110295 0.032003 343 H 27 X -0.006855 -0.003323 0.004144 0.001890 0.012549 344 H 27 Y -0.003478 0.011523 0.009356 -0.012900 0.020823 345 H 27 Z -0.001045 -0.011728 0.013141 -0.005114 0.000731 346 H 28 S -0.175072 0.066374 0.081103 0.107979 0.042596 347 H 28 S 0.022538 0.098520 -0.114340 -0.219683 -0.081139 348 H 28 X 0.005700 -0.023663 -0.016737 0.009909 -0.030095 349 H 28 Y -0.005821 0.003451 -0.000592 0.002819 -0.003641 350 H 28 Z 0.008574 0.002649 -0.011304 -0.009459 0.000030 351 H 29 S 0.040041 0.224698 0.088833 -0.162439 0.191498 352 H 29 S 0.052404 -0.103108 0.045719 -0.021915 -0.029406 353 H 29 X -0.002876 0.011556 0.006616 -0.001333 0.000209 354 H 29 Y 0.006708 -0.012190 -0.009479 0.003244 -0.025320 355 H 29 Z -0.006372 0.014050 -0.000918 0.000731 -0.000547 356 C 30 S -0.043628 -0.008017 0.027223 0.039933 -0.003608 357 C 30 S -0.094257 -0.006247 0.059678 0.094626 -0.017748 358 C 30 S 0.288769 0.220197 -0.146239 -0.289127 -0.230291 359 C 30 X 0.007431 -0.065707 0.156779 -0.066877 -0.053841 360 C 30 Y -0.033722 0.063278 -0.025923 -0.071051 -0.024979 361 C 30 Z 0.120633 0.040934 -0.126814 -0.162841 0.019406 362 C 30 X 0.013319 0.381427 -0.744501 0.354228 0.060911 363 C 30 Y 0.138999 -0.195688 0.016342 0.238726 0.221933 364 C 30 Z -0.595428 -0.170719 0.336352 0.411206 0.100234 365 C 30 XX 0.017931 0.018793 0.000889 -0.012226 -0.024021 366 C 30 YY -0.001442 -0.022551 -0.007925 0.010434 0.030065 367 C 30 ZZ -0.016489 0.003758 0.007037 0.001792 -0.006044 368 C 30 XY -0.036071 -0.030714 0.099357 -0.049661 -0.030904 369 C 30 XZ -0.009228 -0.023526 0.040829 -0.029807 -0.031922 370 C 30 YZ -0.005138 0.020728 0.002715 -0.001693 -0.029290 371 H 31 S 0.082140 -0.129774 -0.071050 0.013490 0.141961 372 H 31 S 0.106325 0.085054 0.002262 -0.022335 -0.040183 373 H 31 X 0.010359 0.010661 -0.034178 0.021100 0.004861 374 H 31 Y 0.002036 0.007393 0.003965 -0.000157 -0.012813 375 H 31 Z -0.002979 -0.003824 -0.000848 -0.009710 0.005610 376 H 32 S 0.164429 0.207242 -0.422385 0.095083 0.034343 377 H 32 S -0.098947 -0.049033 0.066357 -0.001581 -0.132904 378 H 32 X -0.015173 -0.004904 0.003529 0.004414 0.007116 379 H 32 Y 0.014880 0.003853 -0.027950 0.022803 0.015245 380 H 32 Z 0.007795 -0.001833 -0.005248 0.007043 0.003483 381 H 33 S -0.045306 -0.030474 0.340012 -0.323870 -0.176545 382 H 33 S 0.098605 -0.018750 -0.004500 0.082666 0.104557 383 H 33 X 0.000149 0.000239 0.009037 -0.012027 -0.013210 384 H 33 Y -0.008453 -0.016017 0.018721 -0.012470 0.003413 385 H 33 Z 0.001091 0.007940 0.002578 -0.006265 -0.011250 386 H 34 S 0.038151 -0.187024 0.130223 0.360441 -0.163003 387 H 34 S -0.059308 0.055849 -0.000987 -0.002007 0.063006 388 H 34 X 0.000765 0.003517 -0.006262 -0.000420 -0.015481 389 H 34 Y 0.007135 -0.007676 -0.000524 -0.004123 -0.014578 390 H 34 Z -0.005269 0.006814 0.005488 0.016337 -0.013870 391 F 35 S 0.009129 0.002311 -0.000558 0.001480 -0.001827 392 F 35 S -0.009864 -0.005005 -0.014944 0.005834 -0.000380 393 F 35 S -0.214925 -0.071437 -0.052292 0.001266 0.031033 394 F 35 X -0.034050 -0.001636 -0.033506 0.008967 0.003578 395 F 35 Y 0.044395 0.013074 0.017103 0.030708 -0.006406 396 F 35 Z 0.027505 0.016057 0.007990 -0.003317 -0.017485 397 F 35 X -0.078693 -0.008768 -0.031867 -0.005900 0.009078 398 F 35 Y 0.044495 0.032966 0.036125 0.069291 -0.001057 399 F 35 Z 0.033184 0.038550 0.018179 -0.006755 -0.017808 400 F 35 XX 0.002052 0.000075 0.003307 -0.001540 -0.000291 401 F 35 YY -0.001665 -0.000793 -0.002169 0.000784 0.001518 402 F 35 ZZ -0.000386 0.000719 -0.001138 0.000755 -0.001227 403 F 35 XY 0.002031 0.000324 0.001859 -0.000216 0.001628 404 F 35 XZ -0.000867 -0.000217 -0.000327 0.000495 0.002230 405 F 35 YZ -0.000819 0.002172 0.000785 0.002363 -0.000668 406 F 36 S -0.006717 0.001152 0.000902 -0.002651 -0.000190 407 F 36 S -0.002731 -0.004113 0.011764 -0.006890 0.002089 408 F 36 S 0.125079 -0.041102 0.028949 0.022578 0.002427 409 F 36 X 0.026952 0.003721 0.007406 -0.007014 -0.027013 410 F 36 Y 0.024125 0.039073 0.022388 0.033791 -0.015943 411 F 36 Z 0.013394 0.022441 0.029083 -0.011126 0.022540 412 F 36 X 0.042629 0.029026 0.020663 -0.013852 -0.008472 413 F 36 Y 0.017435 0.054293 0.037542 0.059935 -0.014486 414 F 36 Z 0.040370 -0.006154 0.033757 0.002636 0.009862 415 F 36 XX -0.000089 0.001927 0.001049 -0.001186 0.002022 416 F 36 YY 0.000881 0.001921 0.001768 -0.000533 0.000910 417 F 36 ZZ -0.000792 -0.003848 -0.002817 0.001720 -0.002932 418 F 36 XY 0.000821 0.000642 0.001062 0.001865 -0.000120 419 F 36 XZ -0.002594 -0.000965 -0.001709 0.001266 0.001320 420 F 36 YZ 0.001801 -0.001644 0.000655 -0.001176 0.002779 421 C 37 S -0.031969 0.102137 0.031910 -0.064417 0.024598 422 C 37 S -0.084205 0.153933 0.081596 -0.059663 0.078145 423 C 37 S 0.169203 -2.243141 0.574642 2.127119 0.808288 424 C 37 X 0.044821 -0.009041 -0.026534 0.013221 -0.046936 425 C 37 Y -0.017339 0.066425 0.032862 -0.047905 0.146198 426 C 37 Z 0.029812 -0.098682 0.006473 0.100691 -0.209841 427 C 37 X 0.441319 0.949631 -0.363050 -0.990949 -0.488160 428 C 37 Y 0.573078 -1.065860 0.402096 0.623468 0.842581 429 C 37 Z -0.040600 0.244242 -0.095258 -0.232983 0.165948 430 C 37 XX -0.022367 0.030109 0.047182 0.002518 0.029933 431 C 37 YY -0.010393 -0.007714 0.000172 -0.001097 0.000279 432 C 37 ZZ 0.032760 -0.022396 -0.047354 -0.001421 -0.030212 433 C 37 XY 0.023424 -0.030840 -0.009553 -0.002845 -0.025724 434 C 37 XZ 0.011464 0.017000 -0.012577 -0.017337 -0.002172 435 C 37 YZ -0.001858 -0.002906 0.005209 -0.000693 -0.045618 436 S 38 S 0.004215 -0.022040 0.003512 0.008052 -0.009488 437 S 38 S 0.024592 -0.156144 0.027621 0.064158 -0.068726 438 S 38 S -0.014186 -0.192522 0.055929 0.128669 -0.087721 439 S 38 S -0.768130 0.868120 -0.020370 0.194029 0.025601 440 S 38 X 0.012667 -0.015100 -0.008269 -0.002734 -0.033108 441 S 38 Y -0.008825 0.024701 0.013578 0.046277 0.003204 442 S 38 Z 0.005939 0.008085 0.012514 0.009505 0.007586 443 S 38 X 0.061796 -0.045757 -0.054791 -0.024674 -0.206462 444 S 38 Y -0.078793 0.170318 0.063872 0.282154 -0.042260 445 S 38 Z 0.036221 0.047586 0.058817 0.044561 0.028241 446 S 38 X -0.278862 0.294932 0.022266 -0.189630 0.139756 447 S 38 Y 0.448615 -0.409056 -0.157061 -0.642796 -0.120716 448 S 38 Z -0.001980 -0.006902 -0.074616 -0.093282 -0.090137 449 S 38 XX 0.016228 -0.021827 0.020507 0.021620 -0.032793 450 S 38 YY -0.030120 -0.021124 -0.003734 0.042085 -0.054779 451 S 38 ZZ 0.013892 0.042950 -0.016774 -0.063705 0.087572 452 S 38 XY -0.020085 0.040382 0.002391 -0.016272 0.014864 453 S 38 XZ 0.024119 -0.086665 0.085792 0.091422 0.117067 454 S 38 YZ 0.023268 -0.008605 -0.056997 -0.043595 -0.004250 455 S 38 XX 0.003001 -0.002013 0.001770 0.005285 -0.008025 456 S 38 YY -0.001203 -0.008067 -0.001090 -0.000738 -0.004355 457 S 38 ZZ -0.001798 0.010080 -0.000680 -0.004547 0.012381 458 S 38 XY -0.004787 0.003845 0.001214 -0.002819 0.004476 459 S 38 XZ 0.003346 -0.012302 0.011642 0.012839 0.016282 460 S 38 YZ 0.003650 -0.001671 -0.005790 -0.005020 -0.000013 461 H 39 S -0.079973 0.118431 0.119235 -0.060408 0.162631 462 H 39 S -0.218829 -0.576200 0.130585 0.263268 0.320090 463 H 39 X -0.009187 0.014236 0.022239 -0.008211 0.023115 464 H 39 Y 0.018598 -0.020791 -0.002700 -0.000540 -0.007724 465 H 39 Z 0.006111 0.000642 -0.007533 -0.001979 -0.008853 151 152 153 154 155 0.5901 0.5933 0.6025 0.6067 0.6122 A A A A A 1 C 1 S -0.003660 0.011520 0.017437 0.014218 0.014041 2 C 1 S 0.004014 0.021184 0.065982 0.047100 0.006991 3 C 1 S -0.032660 -0.041496 -0.002764 0.424254 -0.028913 4 C 1 X 0.027387 -0.032698 0.030153 -0.046174 -0.053913 5 C 1 Y 0.013193 -0.080782 -0.000059 -0.074243 0.116835 6 C 1 Z 0.113378 -0.083985 -0.037234 0.097965 -0.088278 7 C 1 X -0.098369 0.008629 -0.465418 -0.586919 0.338097 8 C 1 Y 0.046086 0.243553 0.151285 0.136310 -0.525454 9 C 1 Z 0.262752 -0.110168 -0.159239 0.158422 -0.051432 10 C 1 XX -0.004765 0.014222 0.008283 0.000509 0.016716 11 C 1 YY -0.016172 0.014835 -0.022505 0.005938 -0.023954 12 C 1 ZZ 0.020937 -0.029057 0.014222 -0.006448 0.007239 13 C 1 XY 0.027938 -0.001993 -0.003571 0.008720 -0.022153 14 C 1 XZ 0.012216 0.008335 -0.005713 -0.011377 0.014936 15 C 1 YZ 0.070201 -0.012771 -0.036635 0.013282 0.000855 16 C 2 S -0.013787 0.036581 0.007725 0.037720 -0.005694 17 C 2 S -0.039497 0.074278 -0.025205 0.012492 0.003647 18 C 2 S -0.060884 -0.539675 -0.781384 -1.820195 0.291933 19 C 2 X -0.025444 0.043646 0.011286 0.065790 0.049995 20 C 2 Y -0.039921 -0.034009 -0.037156 -0.036066 0.025030 21 C 2 Z 0.224981 -0.084125 -0.099823 0.154626 -0.142973 22 C 2 X 0.007267 0.298828 -0.116426 -0.360867 -0.294766 23 C 2 Y -0.021717 -0.398827 -0.386630 -0.760620 0.200539 24 C 2 Z -0.365793 0.173515 0.219420 -0.280606 0.185035 25 C 2 XX 0.000435 -0.000540 -0.002649 0.009267 0.015991 26 C 2 YY -0.012882 0.007197 -0.001693 -0.002086 -0.017334 27 C 2 ZZ 0.012447 -0.006658 0.004342 -0.007181 0.001343 28 C 2 XY -0.016634 -0.004011 -0.001312 -0.007417 0.022439 29 C 2 XZ 0.020703 -0.017838 -0.012824 0.016572 -0.012966 30 C 2 YZ 0.025799 -0.010148 -0.009902 0.009564 -0.007614 31 C 3 S -0.024375 0.033748 -0.026046 0.017643 0.010232 32 C 3 S -0.015580 0.131564 -0.006777 0.060036 -0.042371 33 C 3 S 0.560024 1.169433 0.825846 -0.685315 -1.340018 34 C 3 X -0.047045 -0.074289 -0.006954 0.007469 0.026108 35 C 3 Y 0.007022 0.027566 -0.037353 -0.055044 0.058164 36 C 3 Z -0.000924 -0.009204 0.117520 -0.004827 -0.042255 37 C 3 X -0.243649 -1.234634 0.051606 0.975896 1.160456 38 C 3 Y 0.118960 -0.566027 -0.245408 -1.620599 -0.317173 39 C 3 Z 0.057884 -0.240184 -0.200375 0.115619 0.009885 40 C 3 XX -0.035951 -0.000142 -0.014321 -0.029651 0.008454 41 C 3 YY 0.019044 0.000613 0.004034 0.014285 -0.010704 42 C 3 ZZ 0.016907 -0.000471 0.010287 0.015366 0.002250 43 C 3 XY 0.011005 -0.028358 0.007393 0.037049 0.036664 44 C 3 XZ 0.005214 0.009468 -0.008963 0.011443 -0.004987 45 C 3 YZ -0.031797 0.024420 0.010188 -0.007250 0.004485 46 C 4 S -0.036420 -0.045607 -0.028660 -0.018140 0.063735 47 C 4 S -0.090773 -0.123094 -0.096729 -0.056309 0.141658 48 C 4 S 0.264954 0.529987 0.073962 0.445376 -0.737643 49 C 4 X -0.006863 -0.025039 -0.020309 -0.139530 -0.012422 50 C 4 Y 0.062248 -0.036733 -0.037478 0.055090 -0.066100 51 C 4 Z -0.013191 0.116114 0.117428 0.043691 -0.058382 52 C 4 X 0.381306 -0.602045 0.220800 -0.096524 0.169534 53 C 4 Y -0.342094 -0.677778 0.032209 0.187720 0.256565 54 C 4 Z 0.335454 -0.266307 0.192338 -0.383216 0.499323 55 C 4 XX -0.004423 0.016716 0.012922 0.037897 -0.021424 56 C 4 YY -0.011741 0.023996 0.009778 -0.007611 -0.022728 57 C 4 ZZ 0.016165 -0.040713 -0.022700 -0.030286 0.044153 58 C 4 XY -0.009410 -0.008740 -0.023973 -0.035825 0.030806 59 C 4 XZ -0.001561 -0.033137 0.009683 -0.015826 0.019219 60 C 4 YZ 0.002955 0.002159 -0.027005 0.024764 -0.029350 61 S 5 S 0.007541 -0.007353 -0.005257 -0.011028 0.007408 62 S 5 S 0.052957 -0.056795 -0.039416 -0.083904 0.060429 63 S 5 S 0.061532 -0.103257 -0.066533 -0.145106 0.135048 64 S 5 S -0.284311 -0.048980 0.064600 0.122221 0.200687 65 S 5 X 0.001611 -0.037342 -0.011359 -0.049911 0.063521 66 S 5 Y -0.000648 0.012343 0.034381 0.025277 -0.013661 67 S 5 Z 0.047294 -0.001934 0.004585 -0.001567 -0.002699 68 S 5 X 0.002402 -0.233960 -0.069662 -0.299868 0.362715 69 S 5 Y 0.015704 0.063111 0.218959 0.144232 -0.074392 70 S 5 Z 0.275471 0.005199 0.030527 -0.010051 -0.015653 71 S 5 X 0.153820 0.307374 0.097700 0.350566 -0.618421 72 S 5 Y -0.086533 0.022057 -0.322247 -0.258101 0.082068 73 S 5 Z -0.360036 0.071842 -0.021877 -0.001511 0.027058 74 S 5 XX -0.033484 -0.021980 -0.025467 -0.053805 -0.027147 75 S 5 YY 0.034646 0.022580 0.023719 0.026062 0.044370 76 S 5 ZZ -0.001161 -0.000600 0.001749 0.027743 -0.017224 77 S 5 XY 0.026302 -0.054058 0.031609 -0.023930 0.011451 78 S 5 XZ -0.090556 0.065443 0.044392 0.026734 -0.037665 79 S 5 YZ -0.136322 -0.059050 0.083129 -0.006968 -0.023587 80 S 5 XX -0.002094 0.000909 -0.001462 -0.001686 -0.009003 81 S 5 YY 0.003488 0.000854 0.001342 0.000400 0.007110 82 S 5 ZZ -0.001395 -0.001762 0.000121 0.001286 0.001893 83 S 5 XY 0.001302 -0.007011 0.000643 -0.005688 0.001918 84 S 5 XZ -0.014679 0.007887 0.004932 0.002677 -0.003607 85 S 5 YZ -0.016284 -0.007593 0.011900 -0.000906 -0.003231 86 H 6 S -0.050766 0.026631 0.008383 0.025089 -0.003170 87 H 6 S 0.010743 0.000728 -0.083350 -0.153371 -0.116556 88 H 6 X 0.010539 -0.007942 -0.000628 -0.010397 -0.010974 89 H 6 Y 0.005852 0.008137 -0.001395 -0.003462 -0.005085 90 H 6 Z 0.004294 0.005263 -0.000167 0.004052 -0.003675 91 C 7 S 0.054524 0.005434 -0.021353 -0.042103 0.064785 92 C 7 S 0.143147 -0.052174 -0.005289 -0.090186 0.134248 93 C 7 S -0.308270 -1.426665 0.315634 0.288052 -0.793949 94 C 7 X -0.028917 0.045069 -0.073803 -0.082113 0.071056 95 C 7 Y 0.007183 -0.071819 0.120702 0.030657 0.031702 96 C 7 Z -0.096914 -0.087163 0.029377 -0.019198 0.020646 97 C 7 X 0.125816 1.043790 0.537553 -0.565134 0.396110 98 C 7 Y -0.216067 0.346103 -0.270723 0.098879 0.281343 99 C 7 Z 0.021255 -0.342013 -0.150775 0.212459 -0.031149 100 C 7 XX 0.014892 0.015441 -0.014108 -0.003082 0.007338 101 C 7 YY -0.000897 0.013506 0.002596 -0.007698 -0.023641 102 C 7 ZZ -0.013995 -0.028948 0.011512 0.010780 0.016303 103 C 7 XY 0.000343 -0.033678 -0.027131 -0.032440 -0.016216 104 C 7 XZ 0.013856 0.013966 0.013376 -0.002106 -0.006041 105 C 7 YZ -0.032423 -0.052011 -0.014797 0.044522 0.008660 106 C 8 S -0.014773 0.031284 0.001956 0.001647 -0.005964 107 C 8 S -0.044235 0.070677 -0.018948 0.060205 0.011326 108 C 8 S -0.304714 0.202333 -0.536740 1.049402 -0.657192 109 C 8 X -0.034102 0.011131 -0.043331 0.008416 -0.120993 110 C 8 Y 0.054887 -0.059603 0.061801 -0.094676 0.063317 111 C 8 Z -0.067735 -0.075427 -0.195000 0.019236 -0.005421 112 C 8 X 0.049250 0.499717 -0.221918 0.211499 0.060131 113 C 8 Y 0.279207 -0.307800 0.831925 -1.352073 0.340110 114 C 8 Z -0.145063 -0.031817 0.061019 -0.039836 -0.093514 115 C 8 XX -0.009600 -0.033092 0.025340 0.014238 -0.054276 116 C 8 YY -0.011434 0.030251 -0.024537 -0.011356 -0.012505 117 C 8 ZZ 0.021035 0.002841 -0.000803 -0.002882 0.066780 118 C 8 XY -0.010540 -0.021893 0.022188 -0.006663 -0.024720 119 C 8 XZ 0.044620 0.016065 0.021535 -0.031057 0.020459 120 C 8 YZ 0.009129 0.006873 0.032503 -0.002581 -0.013922 121 C 9 S -0.035913 -0.002462 -0.004229 0.001035 0.008924 122 C 9 S -0.094257 0.041016 -0.038288 0.029477 0.015540 123 C 9 S 0.063684 0.040932 -0.323808 0.357649 -0.077353 124 C 9 X -0.011114 -0.048549 -0.018043 -0.057823 0.000153 125 C 9 Y -0.021079 -0.009101 -0.152154 0.081068 -0.013162 126 C 9 Z 0.027831 0.044788 0.046902 -0.022476 0.053472 127 C 9 X -0.377785 0.275073 0.270227 0.117623 -0.031708 128 C 9 Y -0.280993 -0.252836 -0.396723 0.721796 -0.534229 129 C 9 Z -0.287582 0.077509 -0.413840 0.074809 -0.145707 130 C 9 XX -0.009007 -0.025235 -0.004241 0.003570 0.006783 131 C 9 YY 0.010430 -0.048298 -0.022126 -0.010960 0.027301 132 C 9 ZZ -0.001423 0.073534 0.026367 0.007391 -0.034084 133 C 9 XY -0.018401 -0.040548 0.076177 0.038096 -0.022187 134 C 9 XZ -0.013011 -0.024708 0.013588 0.007417 -0.005076 135 C 9 YZ -0.013606 0.013475 0.034587 -0.020623 -0.001966 136 C 10 S 0.047607 0.062017 -0.011289 0.044697 0.046271 137 C 10 S 0.081402 0.190406 -0.045321 0.056593 0.139714 138 C 10 S -0.413238 -0.596106 0.028758 -1.344083 0.483055 139 C 10 X 0.013699 -0.039359 -0.031379 -0.078028 -0.082605 140 C 10 Y -0.004174 0.055040 -0.062588 -0.058775 0.034988 141 C 10 Z -0.142108 -0.078868 0.088578 -0.002352 -0.036994 142 C 10 X -0.147674 1.384824 0.148220 0.348493 0.469488 143 C 10 Y 0.422827 1.943855 0.167254 -0.310334 0.403604 144 C 10 Z 0.176512 0.011905 -0.010409 -0.096287 -0.117800 145 C 10 XX 0.008775 -0.019474 -0.005252 -0.055978 -0.042231 146 C 10 YY 0.015838 -0.006097 0.011888 0.026545 0.020074 147 C 10 ZZ -0.024613 0.025571 -0.006636 0.029433 0.022157 148 C 10 XY 0.004937 0.004839 0.017736 0.043084 0.022850 149 C 10 XZ -0.001816 0.007046 -0.000642 -0.018444 -0.019341 150 C 10 YZ -0.013448 -0.002805 -0.002994 -0.004769 0.007851 151 C 11 S 0.009533 0.015797 0.002810 0.020523 0.027836 152 C 11 S 0.004623 0.005413 -0.021459 0.036311 0.081419 153 C 11 S 0.076996 0.640111 -0.164185 0.351452 0.619046 154 C 11 X -0.018828 0.060472 -0.048746 -0.102639 -0.009593 155 C 11 Y 0.104171 0.042974 0.022803 0.027539 -0.012738 156 C 11 Z 0.027604 -0.059301 0.037159 -0.001058 -0.010147 157 C 11 X -0.297768 -1.475745 -0.048298 2.080561 1.537565 158 C 11 Y 0.428197 1.829411 0.160711 0.099127 -0.412088 159 C 11 Z -0.063505 -0.012117 0.040765 0.088302 0.082215 160 C 11 XX 0.020526 0.036480 -0.004977 -0.023358 -0.026079 161 C 11 YY 0.003977 0.014977 0.001162 0.016447 0.002119 162 C 11 ZZ -0.024504 -0.051457 0.003815 0.006911 0.023960 163 C 11 XY -0.001730 -0.009307 -0.004883 -0.070602 -0.057767 164 C 11 XZ 0.002934 0.005583 0.009404 -0.018991 -0.018466 165 C 11 YZ -0.006611 -0.008122 -0.003701 0.000105 -0.013767 166 C 12 S 0.007578 -0.010483 0.008568 0.044384 0.096818 167 C 12 S 0.017595 -0.002166 0.027939 0.176199 0.256070 168 C 12 S -0.137960 0.882287 0.002166 0.569293 -0.175693 169 C 12 X 0.005592 -0.170760 0.025093 -0.146338 -0.176081 170 C 12 Y -0.008389 0.134792 0.028105 0.072713 0.126268 171 C 12 Z -0.068765 0.056249 -0.035727 0.103326 0.104142 172 C 12 X -0.047398 0.014600 0.100762 0.815738 0.200063 173 C 12 Y -0.013644 -0.822801 0.066017 -0.367058 -0.581377 174 C 12 Z 0.000516 -0.105051 -0.106181 -0.132285 0.126388 175 C 12 XX -0.011256 0.055242 0.003281 0.084410 0.105536 176 C 12 YY -0.002605 -0.026365 -0.000130 -0.039153 -0.072650 177 C 12 ZZ 0.013862 -0.028877 -0.003150 -0.045257 -0.032885 178 C 12 XY 0.001092 -0.006787 -0.007890 -0.019144 -0.003927 179 C 12 XZ -0.019480 -0.008963 0.008994 0.011583 0.004609 180 C 12 YZ 0.009642 0.039354 -0.004869 0.011836 0.029892 181 C 13 S -0.001354 -0.001696 -0.001061 0.066484 0.067514 182 C 13 S 0.011891 0.018645 0.008944 0.190714 0.200478 183 C 13 S 0.195010 0.276210 0.127199 -0.127749 0.052068 184 C 13 X -0.014006 -0.019022 -0.059532 -0.237140 -0.262769 185 C 13 Y -0.010712 0.052026 -0.012681 0.009768 0.044809 186 C 13 Z -0.032044 -0.097692 0.050243 -0.155964 -0.206445 187 C 13 X 0.017398 0.310371 0.035060 0.240557 0.701486 188 C 13 Y -0.135256 -0.725259 -0.007302 0.003760 -0.144956 189 C 13 Z 0.163112 -0.100838 0.134510 0.064374 -0.050629 190 C 13 XX 0.015487 0.007590 -0.010747 -0.058478 -0.069114 191 C 13 YY 0.002465 0.010174 0.008358 0.088751 0.117184 192 C 13 ZZ -0.017952 -0.017764 0.002389 -0.030273 -0.048070 193 C 13 XY 0.009103 -0.051881 0.000867 -0.024900 -0.061930 194 C 13 XZ -0.000308 0.005913 0.006472 0.044328 0.048212 195 C 13 YZ 0.007303 -0.006097 -0.004130 0.007945 0.001709 196 C 14 S 0.010216 0.048590 0.004595 0.033378 0.066168 197 C 14 S 0.023997 0.092962 0.014867 0.134244 0.186851 198 C 14 S -0.210524 -1.107425 -0.001563 1.101965 0.223598 199 C 14 X 0.077811 0.086544 -0.004588 -0.172207 -0.225832 200 C 14 Y -0.019862 0.123546 -0.010057 -0.036141 0.054975 201 C 14 Z -0.009862 0.070260 -0.006569 0.079180 0.023034 202 C 14 X 0.041884 0.154562 0.153941 0.963033 0.815381 203 C 14 Y -0.252928 -1.020499 -0.010736 0.521950 0.268013 204 C 14 Z -0.050823 0.202515 -0.077569 -0.086928 0.195432 205 C 14 XX -0.016779 -0.036082 0.010440 0.071701 0.067519 206 C 14 YY 0.009899 -0.000331 -0.001582 -0.029757 -0.057615 207 C 14 ZZ 0.006879 0.036414 -0.008858 -0.041944 -0.009904 208 C 14 XY 0.002191 0.000366 0.000161 0.047865 0.053598 209 C 14 XZ 0.008859 -0.005977 -0.000054 0.024931 0.013092 210 C 14 YZ 0.002390 0.020321 0.005063 0.012942 0.001897 211 F 15 S 0.002029 -0.000376 -0.001378 -0.004955 -0.001522 212 F 15 S 0.004426 -0.006579 0.007687 -0.005519 -0.006510 213 F 15 S -0.011765 -0.015553 0.062609 0.099167 0.032531 214 F 15 X 0.003953 -0.009010 0.001374 -0.045874 -0.027413 215 F 15 Y -0.004524 0.009272 -0.009732 0.001608 0.010153 216 F 15 Z -0.021793 0.034656 -0.002950 0.067908 0.071826 217 F 15 X -0.002374 0.006919 0.002800 -0.061875 -0.017888 218 F 15 Y 0.008350 0.065476 -0.008729 0.045649 0.075289 219 F 15 Z 0.000688 0.039952 -0.029663 -0.004668 0.012125 220 F 15 XX 0.001350 -0.002282 -0.000280 -0.006064 -0.005349 221 F 15 YY 0.001258 -0.003423 -0.000182 -0.005251 -0.005969 222 F 15 ZZ -0.002608 0.005705 0.000462 0.011315 0.011318 223 F 15 XY 0.000884 0.001082 0.000647 0.000371 -0.000274 224 F 15 XZ 0.001456 0.001089 -0.000560 -0.004417 -0.002706 225 F 15 YZ -0.000278 -0.001204 -0.000497 0.001036 0.000493 226 F 16 S 0.000617 -0.005112 0.000382 -0.007419 -0.013653 227 F 16 S 0.004466 0.012088 -0.010316 -0.000686 0.013510 228 F 16 S 0.016551 0.183706 -0.049963 0.156043 0.354772 229 F 16 X -0.003110 -0.004436 -0.012453 -0.039147 0.002247 230 F 16 Y 0.004849 0.049875 0.007207 0.046866 0.078983 231 F 16 Z -0.017136 -0.035904 -0.002908 -0.019601 -0.040944 232 F 16 X -0.010442 0.006203 -0.024567 -0.055499 0.024404 233 F 16 Y -0.010275 -0.004698 0.028078 -0.015915 -0.088375 234 F 16 Z 0.005542 0.038488 -0.004250 0.042394 0.068280 235 F 16 XX -0.000408 -0.004490 -0.000373 -0.005349 -0.008353 236 F 16 YY 0.001281 0.003975 0.000968 0.005025 0.008365 237 F 16 ZZ -0.000872 0.000515 -0.000594 0.000325 -0.000013 238 F 16 XY -0.001257 -0.002105 -0.000602 -0.002129 -0.004177 239 F 16 XZ 0.000823 0.000517 0.000533 0.001802 0.001411 240 F 16 YZ -0.000683 -0.008078 0.000187 -0.007330 -0.011729 241 F 17 S 0.000548 0.007846 0.001027 -0.002218 -0.005332 242 F 17 S -0.013676 0.007718 0.001155 0.009701 0.017705 243 F 17 S -0.078181 -0.128339 -0.012970 0.095501 0.197706 244 F 17 X -0.009366 0.032225 -0.008763 -0.038965 -0.027784 245 F 17 Y 0.002054 0.044433 -0.007437 -0.018399 -0.019412 246 F 17 Z -0.005724 0.006948 -0.002244 -0.016098 -0.012590 247 F 17 X -0.003854 0.004440 -0.017014 -0.061757 -0.055722 248 F 17 Y -0.015891 0.052116 -0.006504 -0.014115 0.049329 249 F 17 Z -0.030473 -0.047878 0.001170 0.038452 0.060268 250 F 17 XX 0.000784 0.001411 -0.000406 -0.003533 -0.004868 251 F 17 YY -0.000599 -0.001539 0.000257 0.001430 0.003829 252 F 17 ZZ -0.000185 0.000128 0.000149 0.002103 0.001039 253 F 17 XY 0.000470 -0.001039 0.000649 -0.002127 -0.001887 254 F 17 XZ 0.000609 0.000798 0.000310 -0.000038 -0.000356 255 F 17 YZ -0.000761 -0.006053 0.000520 0.005033 0.005018 256 F 18 S -0.000453 0.000915 -0.001599 -0.006640 -0.002243 257 F 18 S -0.000976 -0.020191 0.004132 -0.002153 -0.000463 258 F 18 S 0.007317 -0.104312 0.052544 0.137314 0.059246 259 F 18 X 0.005661 -0.012142 0.001462 -0.046094 -0.055959 260 F 18 Y 0.008166 0.015872 0.003724 -0.024971 -0.023772 261 F 18 Z -0.001149 0.003475 0.005655 0.052550 0.025731 262 F 18 X 0.002799 -0.037860 -0.003022 -0.051205 -0.065542 263 F 18 Y 0.024820 0.057235 0.005858 -0.031955 -0.035495 264 F 18 Z 0.002628 0.043433 -0.021050 -0.029059 -0.028550 265 F 18 XX 0.000259 0.000179 -0.000672 -0.005579 -0.004306 266 F 18 YY 0.000244 0.003194 -0.000391 -0.002775 -0.000408 267 F 18 ZZ -0.000503 -0.003373 0.001063 0.008354 0.004715 268 F 18 XY -0.000088 0.001386 -0.000621 0.000342 0.000454 269 F 18 XZ -0.000973 -0.000948 -0.000624 -0.003899 -0.001772 270 F 18 YZ 0.001126 0.000597 -0.000730 -0.006037 -0.005108 271 C 19 S -0.001886 0.004565 0.014606 -0.014701 -0.022340 272 C 19 S -0.004794 0.011722 0.035114 -0.032549 -0.064040 273 C 19 S -0.087751 -0.054715 -0.290644 0.429361 0.007397 274 C 19 X -0.013204 0.055686 -0.061911 0.015983 0.032122 275 C 19 Y 0.031383 -0.068296 0.000849 0.022665 0.123181 276 C 19 Z -0.074735 0.002985 -0.081753 0.026595 -0.040606 277 C 19 X 0.106222 -0.473456 0.486117 -0.412279 0.118323 278 C 19 Y -0.126458 0.254722 -0.107479 -0.147414 -0.233151 279 C 19 Z 0.433105 0.115789 0.504647 -0.266987 0.251689 280 C 19 XX -0.012000 0.076728 -0.060147 -0.034952 0.008117 281 C 19 YY 0.006676 -0.023064 0.017563 0.012126 -0.003784 282 C 19 ZZ 0.005324 -0.053664 0.042584 0.022826 -0.004333 283 C 19 XY 0.006059 -0.013860 0.003251 -0.000209 0.018581 284 C 19 XZ 0.031241 0.011653 0.040304 -0.016690 0.023620 285 C 19 YZ -0.044228 -0.004048 -0.056161 0.020417 -0.026367 286 H 20 S -0.066089 0.326359 -0.252823 -0.052756 -0.021184 287 H 20 S -0.014669 0.014462 -0.060796 0.327255 -0.159429 288 H 20 X -0.002168 0.023242 -0.021220 -0.012583 0.009318 289 H 20 Y -0.000153 0.001782 -0.007402 -0.003283 0.003092 290 H 20 Z 0.019060 0.006304 0.026697 -0.010469 0.013245 291 H 21 S 0.271170 -0.095690 0.407430 -0.053994 0.177355 292 H 21 S 0.006350 0.073842 -0.015861 -0.109772 0.019005 293 H 21 X -0.001127 -0.016087 0.005350 0.008038 -0.002074 294 H 21 Y 0.008645 0.004805 0.018990 0.000562 -0.000406 295 H 21 Z -0.005022 0.012979 -0.017284 -0.005090 0.001951 296 C 22 S -0.013906 -0.003449 -0.019820 -0.008619 0.016878 297 C 22 S -0.035920 -0.008790 -0.051866 -0.022100 0.036184 298 C 22 S 0.118849 0.172094 0.294006 0.243117 -0.483456 299 C 22 X 0.039543 -0.063977 -0.022779 -0.075643 0.019330 300 C 22 Y -0.057984 -0.022564 -0.077966 -0.084658 0.073591 301 C 22 Z 0.131148 -0.053692 -0.114513 0.076128 -0.024801 302 C 22 X -0.079282 0.309391 0.269749 0.548744 -0.230578 303 C 22 Y 0.143889 0.051737 0.211809 0.252503 -0.189635 304 C 22 Z -0.677741 0.302167 0.490891 -0.389485 0.161164 305 C 22 XX 0.005907 0.016681 0.004641 0.032259 -0.016976 306 C 22 YY -0.001050 0.026741 0.037311 0.030179 -0.029558 307 C 22 ZZ -0.004857 -0.043422 -0.041952 -0.062438 0.046534 308 C 22 XY -0.013407 0.021646 0.023668 0.021227 0.009165 309 C 22 XZ 0.089641 -0.030995 -0.065720 0.040316 -0.013385 310 C 22 YZ 0.006032 -0.004748 -0.001340 0.017486 -0.015723 311 H 23 S -0.015577 0.186171 0.187380 0.263967 -0.102662 312 H 23 S 0.013341 -0.082858 -0.076307 -0.028639 0.036673 313 H 23 X -0.002087 -0.005006 -0.007586 -0.010850 0.001051 314 H 23 Y 0.004585 -0.007780 -0.010847 0.001776 -0.002779 315 H 23 Z -0.030186 0.013461 0.023010 -0.018265 0.009310 316 H 24 S 0.406822 -0.281830 -0.370081 0.024323 0.035094 317 H 24 S -0.076073 -0.020187 0.062068 -0.074193 0.033972 318 H 24 X 0.021488 0.003643 -0.002734 0.026123 -0.017100 319 H 24 Y -0.004243 0.003838 -0.002156 0.008369 0.002494 320 H 24 Z 0.003392 -0.012926 -0.016756 -0.020390 0.019387 321 H 25 S -0.355070 0.017341 0.164541 -0.365540 0.202403 322 H 25 S 0.028872 0.008437 -0.079808 -0.052053 0.062858 323 H 25 X -0.017491 0.017607 0.022994 0.009682 -0.008975 324 H 25 Y -0.003331 0.005560 0.007577 -0.000742 0.005036 325 H 25 Z 0.005950 0.011707 0.012233 0.019805 -0.017110 326 C 26 S -0.002899 0.035963 0.010662 -0.003337 -0.029487 327 C 26 S -0.006004 0.077778 0.019904 0.000548 -0.081441 328 C 26 S -0.188460 -0.190493 -0.267215 0.111036 -0.031907 329 C 26 X -0.081295 -0.024826 0.034797 0.057609 -0.029745 330 C 26 Y 0.013549 0.023750 0.008483 0.033960 -0.040063 331 C 26 Z -0.037354 0.099630 0.072754 -0.017001 -0.068529 332 C 26 X 0.440091 0.173890 -0.094827 -0.218033 0.060004 333 C 26 Y -0.176489 -0.014690 -0.074110 -0.294629 0.322204 334 C 26 Z -0.016431 -0.281059 -0.229979 0.067940 0.084670 335 C 26 XX -0.042177 -0.012142 -0.002483 0.016503 0.009320 336 C 26 YY 0.050414 0.018040 0.008103 -0.023464 0.006060 337 C 26 ZZ -0.008237 -0.005898 -0.005620 0.006960 -0.015380 338 C 26 XY 0.020859 0.035084 -0.040279 -0.026931 0.013597 339 C 26 XZ 0.026547 0.035952 -0.033700 -0.023269 0.003226 340 C 26 YZ -0.035494 -0.007334 -0.053215 0.024624 -0.000984 341 H 27 S 0.092039 0.126410 -0.213461 -0.138798 0.144726 342 H 27 S 0.029727 0.007826 0.127442 -0.074005 0.029228 343 H 27 X 0.018512 -0.000414 0.008930 -0.000851 -0.008757 344 H 27 Y -0.018503 -0.013218 0.009101 0.004570 -0.002263 345 H 27 Z 0.003962 -0.014046 0.030148 -0.005920 -0.002214 346 H 28 S 0.201425 0.010950 0.103899 -0.006330 -0.036569 347 H 28 S -0.017321 -0.037291 -0.085536 0.192550 -0.132412 348 H 28 X 0.011028 0.011081 -0.015391 -0.010039 0.004984 349 H 28 Y 0.015310 0.001837 0.013044 -0.015051 0.009905 350 H 28 Z -0.008693 -0.000079 -0.016829 0.007401 -0.003952 351 H 29 S -0.240027 -0.230702 0.069769 0.106149 0.025867 352 H 29 S -0.045308 0.063147 -0.048681 -0.138356 0.088559 353 H 29 X -0.014876 -0.008269 0.000317 0.006442 0.007556 354 H 29 Y -0.008004 0.013186 -0.016606 -0.007322 0.002460 355 H 29 Z 0.007034 0.026300 -0.007558 -0.001840 -0.002466 356 C 30 S 0.008280 -0.020804 -0.021908 -0.022642 0.021495 357 C 30 S 0.018994 -0.039959 -0.040435 -0.064882 0.046957 358 C 30 S -0.224258 0.257815 0.058115 0.197055 -0.238307 359 C 30 X 0.046646 -0.024306 0.037171 -0.017867 0.044186 360 C 30 Y -0.041914 -0.059742 -0.039887 0.034463 -0.026524 361 C 30 Z -0.029493 0.030004 0.069373 0.019433 -0.032897 362 C 30 X -0.198124 0.140512 -0.026610 0.179892 -0.165714 363 C 30 Y 0.341795 0.236391 0.265957 -0.185080 0.098401 364 C 30 Z 0.112893 -0.219345 0.028074 -0.103019 0.185339 365 C 30 XX -0.026706 -0.031079 -0.027916 0.004681 0.018293 366 C 30 YY 0.034031 0.013596 0.012911 -0.006676 0.002113 367 C 30 ZZ -0.007324 0.017483 0.015006 0.001995 -0.020407 368 C 30 XY 0.026505 0.000622 -0.016885 -0.006995 0.010419 369 C 30 XZ 0.010675 0.015481 -0.001982 0.025164 -0.010162 370 C 30 YZ -0.034114 -0.010168 0.002134 -0.020841 0.033570 371 H 31 S 0.138351 0.116423 0.092357 0.019211 -0.041508 372 H 31 S 0.061027 -0.011232 0.003161 -0.097066 0.062064 373 H 31 X -0.012353 0.004373 0.004167 0.008457 -0.006124 374 H 31 Y -0.012557 -0.003266 0.006106 -0.009545 0.006617 375 H 31 Z 0.001934 0.000342 0.000941 0.018457 -0.022859 376 H 32 S -0.180816 -0.063013 -0.058622 0.063318 -0.012884 377 H 32 S 0.025349 0.093813 -0.050614 0.117063 -0.108349 378 H 32 X 0.011124 0.011531 0.007865 -0.001665 -0.009613 379 H 32 Y 0.000366 0.008224 0.015527 0.002687 0.004082 380 H 32 Z -0.000114 -0.003576 0.011509 -0.011255 0.015027 381 H 33 S 0.034904 -0.072296 -0.124045 -0.029316 0.065195 382 H 33 S -0.099367 -0.016598 -0.095432 -0.012701 -0.068761 383 H 33 X -0.009635 -0.002079 -0.017588 0.007955 0.003294 384 H 33 Y 0.022162 0.005325 0.004181 -0.002179 0.006282 385 H 33 Z -0.007107 0.013311 -0.000959 0.001270 -0.006003 386 H 34 S -0.191801 -0.199895 -0.182775 0.170789 -0.094563 387 H 34 S 0.022951 -0.030670 0.008926 -0.056638 0.062818 388 H 34 X 0.010732 -0.016918 0.019123 0.002362 0.011002 389 H 34 Y -0.012653 -0.005871 -0.023383 0.012329 -0.006079 390 H 34 Z -0.001128 -0.018919 0.010495 0.012348 -0.004212 391 F 35 S 0.002798 -0.002961 -0.000475 -0.006602 -0.015123 392 F 35 S -0.004170 0.005678 -0.007236 0.014443 0.012580 393 F 35 S -0.066863 0.086302 -0.019554 0.209162 0.376205 394 F 35 X -0.005786 -0.003250 -0.026307 -0.065122 -0.076764 395 F 35 Y 0.011632 0.025548 -0.002952 -0.013827 -0.035005 396 F 35 Z 0.000502 0.011816 0.002532 0.061072 0.048965 397 F 35 X -0.041760 0.017675 -0.025483 0.069110 0.103674 398 F 35 Y 0.011213 0.054957 -0.002835 0.000362 0.001930 399 F 35 Z -0.003000 -0.000957 -0.005512 -0.010947 -0.040566 400 F 35 XX -0.000797 -0.000117 0.003054 0.011673 0.012866 401 F 35 YY 0.000224 -0.000793 -0.001786 -0.010392 -0.011006 402 F 35 ZZ 0.000573 0.000910 -0.001268 -0.001281 -0.001859 403 F 35 XY -0.000604 0.001925 0.000388 0.003072 0.005488 404 F 35 XZ -0.000189 -0.002326 -0.000992 -0.011845 -0.013446 405 F 35 YZ 0.000756 0.001197 -0.000221 -0.001926 -0.001948 406 F 36 S -0.003048 0.001454 -0.000918 -0.001712 0.002059 407 F 36 S -0.001033 -0.007183 0.006022 -0.010941 -0.001069 408 F 36 S 0.059408 -0.050163 0.044454 0.026730 -0.007481 409 F 36 X 0.013631 0.001818 -0.001580 0.016424 0.008372 410 F 36 Y 0.021955 0.041932 -0.006460 0.003198 0.007995 411 F 36 Z -0.016296 -0.032023 0.011370 -0.068940 -0.085272 412 F 36 X -0.001754 -0.025209 -0.002208 -0.039942 -0.073567 413 F 36 Y 0.014529 0.049255 -0.004121 -0.001407 0.001641 414 F 36 Z 0.013390 -0.037609 0.017898 -0.036350 -0.041328 415 F 36 XX -0.001823 -0.002515 0.000234 -0.005392 -0.006925 416 F 36 YY -0.000892 -0.001927 0.000502 -0.004980 -0.007272 417 F 36 ZZ 0.002715 0.004442 -0.000737 0.010371 0.014197 418 F 36 XY -0.000115 0.001073 0.000188 0.000431 -0.000013 419 F 36 XZ -0.000442 -0.000181 -0.001099 -0.004008 -0.004271 420 F 36 YZ -0.001420 -0.000811 0.000288 -0.001438 -0.001247 421 C 37 S -0.055781 -0.003153 -0.001963 0.063499 -0.053732 422 C 37 S -0.095532 -0.045067 0.058888 0.060734 -0.121315 423 C 37 S 0.752349 -0.476651 0.909571 -1.912038 0.738147 424 C 37 X 0.039430 0.086099 -0.053662 -0.000754 0.013570 425 C 37 Y -0.001128 0.168639 -0.102001 -0.055878 -0.035796 426 C 37 Z -0.092326 0.064338 -0.245651 -0.058010 0.004741 427 C 37 X -0.376565 0.066912 -0.561524 0.838924 -0.288211 428 C 37 Y 0.015455 -0.543384 0.646471 -0.820900 0.320276 429 C 37 Z 0.197654 -0.130739 0.283720 -0.069071 0.120848 430 C 37 XX -0.013431 0.015941 -0.025049 0.005649 0.002474 431 C 37 YY -0.001375 -0.016443 0.020576 -0.000166 -0.010356 432 C 37 ZZ 0.014807 0.000502 0.004473 -0.005483 0.007882 433 C 37 XY 0.001312 0.001135 -0.017909 -0.007504 -0.011831 434 C 37 XZ 0.010966 -0.005799 -0.003764 -0.005683 0.010008 435 C 37 YZ -0.001717 -0.003894 -0.046679 -0.005353 0.005536 436 S 38 S 0.000228 -0.011153 0.017188 0.003055 -0.002650 437 S 38 S 0.004008 -0.078284 0.125241 0.021133 -0.016309 438 S 38 S 0.019215 -0.084241 0.171800 0.020686 -0.009523 439 S 38 S 0.186008 0.360137 -0.251503 -0.086536 0.117796 440 S 38 X -0.003299 -0.035395 0.026745 0.000569 -0.051128 441 S 38 Y 0.015944 -0.016781 0.016558 0.000353 0.024052 442 S 38 Z -0.040358 -0.039110 -0.023143 0.031873 -0.004023 443 S 38 X -0.023576 -0.206533 0.147498 0.018228 -0.320542 444 S 38 Y 0.107654 -0.144200 0.140052 0.017734 0.130058 445 S 38 Z -0.216437 -0.203935 -0.123093 0.161955 -0.021298 446 S 38 X 0.018367 0.329469 -0.337257 0.149854 0.305171 447 S 38 Y -0.238376 0.018547 -0.128321 0.267268 -0.207945 448 S 38 Z 0.240528 0.286262 0.135997 -0.220779 0.041263 449 S 38 XX 0.020427 0.023873 0.002033 0.014283 0.040208 450 S 38 YY 0.023136 -0.082653 0.093047 -0.013589 -0.000367 451 S 38 ZZ -0.043563 0.058780 -0.095080 -0.000694 -0.039840 452 S 38 XY -0.000867 0.056121 -0.035957 0.009057 -0.003682 453 S 38 XZ -0.108477 -0.029244 -0.013246 0.059300 -0.062621 454 S 38 YZ 0.085021 0.153994 0.076347 -0.134698 -0.001883 455 S 38 XX 0.003128 -0.001791 0.002659 0.001376 0.002410 456 S 38 YY 0.000672 -0.008362 0.010628 -0.000213 -0.000529 457 S 38 ZZ -0.003800 0.010153 -0.013287 -0.001162 -0.001881 458 S 38 XY -0.000251 0.004556 -0.005104 -0.000245 0.000869 459 S 38 XZ -0.014472 -0.004267 -0.001115 0.007500 -0.008578 460 S 38 YZ 0.010611 0.020937 0.010478 -0.018277 -0.000417 461 H 39 S -0.042097 0.061741 -0.026682 0.030257 -0.035233 462 H 39 S 0.106784 -0.154711 0.376051 -0.395318 0.107653 463 H 39 X -0.009382 0.006508 -0.014984 0.002228 0.008106 464 H 39 Y 0.005858 -0.008655 0.007637 -0.006276 0.004761 465 H 39 Z -0.007141 -0.004875 -0.010775 0.000716 0.001317 156 157 158 159 160 0.6218 0.6316 0.6339 0.6478 0.6619 A A A A A 1 C 1 S 0.011024 -0.021099 0.039455 -0.040101 0.055109 2 C 1 S 0.039265 -0.021958 0.096048 -0.073862 0.149196 3 C 1 S 0.163595 0.432242 0.556811 0.031156 0.362095 4 C 1 X -0.044753 -0.020814 -0.037130 0.059969 -0.126688 5 C 1 Y 0.038585 -0.017871 -0.003018 -0.054385 0.096945 6 C 1 Z 0.021579 0.006513 -0.024807 -0.059360 -0.139222 7 C 1 X -0.299484 -0.461534 -0.802181 -0.228151 -0.644719 8 C 1 Y -0.117673 0.266952 0.337055 0.139350 -0.217879 9 C 1 Z -0.026109 0.024352 0.172375 -0.012600 0.168618 10 C 1 XX -0.002302 -0.016563 0.007085 -0.029651 0.025602 11 C 1 YY -0.008727 0.002978 0.046077 -0.015842 -0.019719 12 C 1 ZZ 0.011028 0.013585 -0.053163 0.045493 -0.005883 13 C 1 XY -0.007338 -0.011447 -0.034164 -0.017189 -0.007682 14 C 1 XZ 0.007069 0.002397 0.006098 0.010182 0.018983 15 C 1 YZ -0.006818 0.011259 0.018407 0.022419 0.009176 16 C 2 S 0.011169 0.005496 0.082301 -0.034897 0.044320 17 C 2 S 0.010379 -0.016687 0.101477 -0.094323 0.000054 18 C 2 S -0.073733 -0.529855 -1.224495 -0.118541 -1.294178 19 C 2 X -0.019697 -0.041415 0.082803 -0.062078 0.091504 20 C 2 Y 0.009168 0.019757 -0.003170 -0.011094 -0.049456 21 C 2 Z 0.033290 -0.082190 -0.041877 -0.080302 -0.072801 22 C 2 X -0.336035 -0.352109 -0.613477 0.145993 -0.762430 23 C 2 Y 0.261206 -0.051845 -0.553799 -0.107816 -0.347386 24 C 2 Z -0.008838 0.158849 -0.003063 0.150612 0.043728 25 C 2 XX 0.016386 -0.001520 -0.002774 -0.018572 0.027256 26 C 2 YY -0.020569 -0.002367 0.052089 -0.006485 0.007879 27 C 2 ZZ 0.004183 0.003886 -0.049315 0.025056 -0.035136 28 C 2 XY 0.000156 0.011467 0.039859 0.007624 0.029706 29 C 2 XZ -0.010121 0.003093 -0.003408 -0.004129 -0.019216 30 C 2 YZ 0.010118 -0.006175 0.006063 -0.003892 0.004216 31 C 3 S -0.022818 0.005320 -0.019078 -0.036340 0.009461 32 C 3 S -0.015044 0.050145 0.074089 -0.067390 0.083678 33 C 3 S 0.857703 0.626021 2.365125 0.437273 0.032257 34 C 3 X -0.079807 0.002785 -0.022564 -0.001086 -0.007774 35 C 3 Y 0.046740 0.060954 -0.119042 -0.011653 -0.028241 36 C 3 Z 0.135443 -0.062536 -0.110293 0.041300 -0.064791 37 C 3 X -0.086982 0.089256 0.023009 -0.106264 0.327312 38 C 3 Y 0.641166 0.150719 0.414511 0.148177 -0.687710 39 C 3 Z -0.031638 -0.101835 0.109669 -0.190006 0.053987 40 C 3 XX -0.016725 -0.022474 0.014467 -0.030581 0.007844 41 C 3 YY 0.008834 0.007417 -0.006833 0.009137 -0.015571 42 C 3 ZZ 0.007891 0.015057 -0.007634 0.021444 0.007726 43 C 3 XY 0.006275 -0.001877 -0.013123 0.000835 0.008727 44 C 3 XZ -0.025342 0.002331 -0.020471 -0.001414 0.000565 45 C 3 YZ -0.021343 0.009582 -0.006350 0.007561 -0.004051 46 C 4 S -0.009072 0.014212 -0.030744 0.002104 0.022286 47 C 4 S -0.055028 0.032636 -0.111027 0.011652 0.006097 48 C 4 S -0.394886 -0.305041 -0.238846 0.238094 -0.424067 49 C 4 X 0.058544 0.045818 0.010122 -0.076879 -0.020441 50 C 4 Y -0.038366 0.129563 0.119866 0.216799 -0.014099 51 C 4 Z 0.054726 -0.035418 0.024667 -0.029138 -0.063733 52 C 4 X 0.329083 0.184091 0.397972 0.412550 -0.010969 53 C 4 Y -0.136246 0.196649 0.334444 -0.201533 -0.301780 54 C 4 Z 0.470176 0.276632 0.306268 0.342718 0.249256 55 C 4 XX -0.026581 0.029641 -0.038063 0.015080 -0.037530 56 C 4 YY -0.048427 0.008902 -0.013743 0.008165 -0.028343 57 C 4 ZZ 0.075008 -0.038543 0.051806 -0.023245 0.065873 58 C 4 XY 0.017666 -0.010225 -0.032823 -0.013198 0.041552 59 C 4 XZ -0.001906 0.005721 0.005508 0.002527 -0.000936 60 C 4 YZ -0.005700 -0.015981 0.014268 -0.045816 -0.010696 61 S 5 S -0.005996 -0.003830 0.000937 -0.017550 0.000090 62 S 5 S -0.041830 -0.029576 0.007335 -0.131816 0.006799 63 S 5 S -0.045235 -0.056531 0.019953 -0.213829 0.058380 64 S 5 S 0.179670 0.015163 0.022111 0.038248 0.315203 65 S 5 X 0.020230 -0.006666 -0.025892 -0.003651 0.040713 66 S 5 Y -0.001559 0.012816 0.020718 0.026286 0.013085 67 S 5 Z 0.004558 0.015549 -0.021277 0.057881 -0.025054 68 S 5 X 0.109843 -0.032235 -0.159126 -0.044574 0.204763 69 S 5 Y -0.008029 0.049938 0.119086 0.160915 0.103850 70 S 5 Z 0.041282 0.067995 -0.118204 0.310119 -0.129206 71 S 5 X -0.177849 0.087576 0.140637 0.153809 -0.413111 72 S 5 Y -0.111941 -0.148562 -0.280508 -0.246481 -0.190627 73 S 5 Z -0.031459 -0.143478 0.061821 -0.436990 0.115386 74 S 5 XX 0.009590 -0.035969 -0.003843 -0.081123 -0.061438 75 S 5 YY 0.003179 -0.078739 -0.039163 -0.121366 0.103956 76 S 5 ZZ -0.012769 0.114708 0.043006 0.202488 -0.042518 77 S 5 XY -0.001979 0.016549 0.047935 0.075580 0.021329 78 S 5 XZ 0.079361 -0.104601 -0.017725 -0.089725 0.009354 79 S 5 YZ -0.054387 0.068282 -0.046897 0.002309 -0.116344 80 S 5 XX 0.000254 -0.003930 -0.000121 -0.007319 -0.008637 81 S 5 YY -0.000527 -0.010433 -0.005495 -0.018331 0.009778 82 S 5 ZZ 0.000274 0.014364 0.005616 0.025650 -0.001141 83 S 5 XY -0.000481 0.002445 0.005531 0.007358 0.002045 84 S 5 XZ 0.009255 -0.013863 -0.002857 -0.014713 0.001158 85 S 5 YZ -0.005927 0.008930 -0.006104 0.002489 -0.015958 86 H 6 S 0.022875 0.069667 0.224693 0.034793 0.098473 87 H 6 S -0.009284 -0.138713 -0.452676 0.026920 -0.386912 88 H 6 X -0.002790 -0.007426 -0.021298 0.005080 -0.027936 89 H 6 Y 0.002263 -0.003537 -0.040750 -0.001875 -0.023117 90 H 6 Z 0.000113 -0.001398 -0.003274 -0.000371 -0.000892 91 C 7 S -0.026322 -0.008954 0.029827 0.006818 0.001032 92 C 7 S -0.121303 0.055895 0.058825 0.043049 0.036277 93 C 7 S -1.443475 -0.145302 -1.007225 -0.084958 0.631665 94 C 7 X 0.049640 0.024463 0.211263 0.004809 -0.234268 95 C 7 Y -0.173158 -0.051550 0.069255 0.002216 -0.119506 96 C 7 Z -0.064995 0.014312 0.154240 -0.209500 0.017122 97 C 7 X 0.550046 1.464740 1.290179 -0.351145 -0.270834 98 C 7 Y 1.708322 -0.407202 0.019126 -0.322300 0.159918 99 C 7 Z -0.004557 -0.341556 -0.315397 0.438483 0.077766 100 C 7 XX -0.042081 -0.003315 -0.012454 -0.030228 0.032675 101 C 7 YY 0.006554 -0.051008 0.007596 -0.033851 -0.041668 102 C 7 ZZ 0.035527 0.054323 0.004858 0.064079 0.008993 103 C 7 XY -0.011235 -0.005899 0.008139 0.021464 -0.018399 104 C 7 XZ -0.025005 0.022217 -0.041059 -0.002165 0.000007 105 C 7 YZ 0.033703 -0.030274 0.012675 0.034619 0.014912 106 C 8 S -0.055940 0.036403 0.011723 -0.053367 -0.025065 107 C 8 S -0.119636 -0.046819 -0.011286 -0.072253 -0.065198 108 C 8 S 0.243925 -1.245072 -1.362339 -0.250725 0.741674 109 C 8 X 0.164422 0.040189 -0.065955 -0.031648 0.087967 110 C 8 Y 0.076229 -0.061694 0.063921 0.052741 -0.049654 111 C 8 Z 0.015665 0.048719 0.118334 0.056169 -0.072319 112 C 8 X -0.078781 -0.482994 -0.356679 0.031546 -0.116275 113 C 8 Y -0.313347 2.529285 1.608445 0.015899 -0.520130 114 C 8 Z -0.030837 0.277151 -0.077407 -0.019532 -0.067344 115 C 8 XX 0.028753 -0.006506 -0.013706 -0.098033 -0.017505 116 C 8 YY -0.054277 0.070608 -0.001151 -0.008885 0.047083 117 C 8 ZZ 0.025523 -0.064103 0.014857 0.106918 -0.029579 118 C 8 XY -0.005503 0.050844 -0.006458 0.004609 0.042636 119 C 8 XZ 0.014596 0.016907 0.044961 -0.017442 0.008327 120 C 8 YZ -0.012056 0.017891 -0.022848 -0.027351 0.001071 121 C 9 S -0.002398 0.008852 0.046783 0.005217 -0.002381 122 C 9 S 0.029796 -0.068201 0.069822 0.005143 0.060028 123 C 9 S 0.538884 -1.140090 -1.070164 0.157216 0.555249 124 C 9 X -0.005316 0.115664 0.050924 0.098492 -0.039467 125 C 9 Y 0.013067 -0.124122 -0.084182 -0.110818 -0.001207 126 C 9 Z -0.006545 -0.050770 -0.008363 -0.051930 0.106162 127 C 9 X -0.321617 0.561610 0.518960 -0.211105 -0.124733 128 C 9 Y -0.427499 -0.791175 -0.831246 0.305712 -0.302522 129 C 9 Z 0.372668 -0.524194 -0.101044 -0.291520 0.267712 130 C 9 XX 0.082351 -0.048636 0.034126 0.025939 -0.044046 131 C 9 YY 0.001283 0.008039 0.032235 0.041268 0.033273 132 C 9 ZZ -0.083634 0.040597 -0.066361 -0.067207 0.010774 133 C 9 XY 0.025444 -0.023783 0.019673 -0.029726 -0.012230 134 C 9 XZ 0.011113 -0.015023 -0.005812 -0.000315 0.003030 135 C 9 YZ -0.005392 -0.001337 0.008574 -0.073802 -0.012209 136 C 10 S -0.003143 0.004516 -0.031234 -0.006836 0.081049 137 C 10 S 0.006236 -0.026184 0.014997 -0.005013 0.070721 138 C 10 S 0.769682 0.479160 0.484912 -0.010579 -0.810714 139 C 10 X -0.053139 -0.046451 -0.060061 0.007480 0.130490 140 C 10 Y -0.018868 -0.049255 -0.018476 -0.015886 -0.087758 141 C 10 Z 0.072277 -0.091216 0.094831 -0.017698 0.065704 142 C 10 X 2.112287 0.419138 1.426633 -0.353103 -0.770695 143 C 10 Y 0.083113 0.766961 1.181219 -0.141865 -0.200250 144 C 10 Z -0.329581 0.042487 -0.258141 -0.031363 0.079294 145 C 10 XX 0.008358 0.026397 -0.013056 -0.000570 0.044580 146 C 10 YY -0.017171 -0.008703 -0.042051 -0.005848 0.054214 147 C 10 ZZ 0.008812 -0.017693 0.055107 0.006417 -0.098794 148 C 10 XY 0.045998 0.062731 0.000136 -0.010620 0.030895 149 C 10 XZ -0.013899 0.005059 0.023045 -0.022000 -0.031388 150 C 10 YZ -0.010382 0.001078 0.017952 -0.005725 -0.017270 151 C 11 S 0.022251 0.026589 -0.050517 -0.001790 0.082313 152 C 11 S 0.000799 0.063556 -0.159879 -0.002630 0.182140 153 C 11 S -0.623950 0.394007 0.672410 -0.227625 -0.679425 154 C 11 X -0.014815 -0.095822 -0.020105 -0.022852 -0.012280 155 C 11 Y 0.013182 0.001220 -0.107852 -0.004885 0.238571 156 C 11 Z 0.078477 -0.088348 0.086755 -0.000527 0.029300 157 C 11 X -0.958572 -0.477306 -1.800978 -0.042390 1.224236 158 C 11 Y -0.043168 0.235946 0.574767 -0.113427 0.404694 159 C 11 Z -0.063306 0.161940 -0.057160 0.049359 -0.027056 160 C 11 XX 0.019868 0.006609 0.000882 -0.012826 -0.008571 161 C 11 YY -0.002405 0.001463 0.023393 0.004917 0.028443 162 C 11 ZZ -0.017464 -0.008073 -0.024275 0.007909 -0.019872 163 C 11 XY -0.018172 -0.022510 -0.001370 0.008779 -0.037689 164 C 11 XZ -0.007147 0.000779 -0.008527 0.007499 -0.012872 165 C 11 YZ -0.004712 -0.002480 -0.001105 -0.001897 0.017896 166 C 12 S -0.036201 0.039495 -0.033975 0.008825 0.010789 167 C 12 S -0.085314 0.062953 -0.094686 0.014916 0.073399 168 C 12 S 0.806743 -0.887663 0.661227 -0.098791 0.265957 169 C 12 X -0.154568 -0.016537 -0.086619 0.039424 0.178332 170 C 12 Y -0.288440 -0.205051 0.126340 0.143452 -0.038821 171 C 12 Z -0.177334 -0.085520 0.017858 -0.112230 0.032786 172 C 12 X 1.005461 0.297351 0.179898 -0.217891 -0.135761 173 C 12 Y 0.245018 0.733614 -0.418793 -0.151377 -0.036776 174 C 12 Z 0.159822 0.274687 0.015967 0.112719 -0.481905 175 C 12 XX 0.030588 0.001452 0.033540 -0.016870 -0.062605 176 C 12 YY -0.054914 -0.035720 -0.012220 -0.001016 0.078763 177 C 12 ZZ 0.024325 0.034267 -0.021320 0.017886 -0.016158 178 C 12 XY -0.063689 -0.054833 -0.003509 0.026438 0.016951 179 C 12 XZ -0.018769 -0.010784 -0.001817 -0.010404 0.027524 180 C 12 YZ -0.062847 -0.048126 0.021614 0.040507 -0.008829 181 C 13 S -0.038562 -0.000537 -0.033809 0.012296 0.006917 182 C 13 S -0.085756 0.069214 -0.067639 0.017429 -0.019714 183 C 13 S 0.627023 1.126018 0.282581 -0.400971 -0.557176 184 C 13 X -0.261955 -0.301945 0.013964 0.158422 0.114188 185 C 13 Y -0.097201 -0.046560 0.064671 -0.026177 -0.012934 186 C 13 Z -0.044263 -0.168738 0.154961 0.074625 0.035666 187 C 13 X 0.299629 0.912017 0.191228 -0.297976 -0.866859 188 C 13 Y 0.276947 0.311341 -0.259162 0.076143 -0.206359 189 C 13 Z 0.202406 0.558159 -0.128554 -0.111101 0.067166 190 C 13 XX -0.028198 -0.023008 -0.006223 0.010168 0.041213 191 C 13 YY 0.054670 0.084033 -0.021114 -0.022321 -0.040494 192 C 13 ZZ -0.026471 -0.061025 0.027338 0.012154 -0.000719 193 C 13 XY 0.036965 0.032390 -0.036319 0.018518 0.017184 194 C 13 XZ 0.053696 0.063197 -0.018041 -0.041851 -0.021452 195 C 13 YZ 0.041213 0.040376 -0.005858 -0.015621 -0.007207 196 C 14 S 0.034751 0.057393 0.030328 -0.008010 -0.037746 197 C 14 S 0.100108 0.125532 0.029920 -0.029049 -0.018015 198 C 14 S -0.545392 -0.843697 -1.344643 0.190185 1.545540 199 C 14 X 0.044445 -0.051713 0.111755 0.052656 -0.033617 200 C 14 Y 0.063614 -0.068469 0.065564 -0.088491 -0.110983 201 C 14 Z -0.008954 -0.068677 -0.080751 0.002541 -0.034672 202 C 14 X -0.130139 -0.073174 -0.517771 -0.174496 0.880590 203 C 14 Y -0.045974 -0.272964 -0.752628 0.182514 0.621399 204 C 14 Z -0.004879 0.063997 0.108496 -0.093908 -0.153865 205 C 14 XX 0.017327 0.051172 -0.023786 -0.000590 0.000321 206 C 14 YY -0.029297 -0.048004 -0.009315 0.019464 0.045956 207 C 14 ZZ 0.011969 -0.003168 0.033101 -0.018874 -0.046277 208 C 14 XY 0.009625 0.036047 -0.018675 -0.024582 0.012829 209 C 14 XZ 0.012901 0.001499 -0.014300 -0.000312 0.008920 210 C 14 YZ 0.013218 -0.015589 0.002672 -0.014502 -0.016865 211 F 15 S 0.009682 0.001003 0.002234 0.004176 -0.004501 212 F 15 S 0.038189 -0.002793 0.010737 0.008539 0.007972 213 F 15 S -0.022591 -0.027755 -0.006508 -0.052661 0.148044 214 F 15 X -0.001139 -0.015506 0.004911 0.011894 0.019495 215 F 15 Y 0.002279 -0.013378 -0.003089 -0.009593 -0.000658 216 F 15 Z -0.057876 -0.032884 0.005018 -0.025038 0.018044 217 F 15 X -0.038278 -0.020947 0.004641 0.014438 0.005817 218 F 15 Y -0.015129 -0.042571 0.014476 0.007560 -0.003005 219 F 15 Z -0.035597 -0.011598 -0.003580 0.001424 -0.039530 220 F 15 XX -0.000003 0.000898 -0.001024 0.002711 -0.001141 221 F 15 YY 0.004998 0.004429 -0.001151 0.000906 -0.001577 222 F 15 ZZ -0.004995 -0.005327 0.002175 -0.003617 0.002718 223 F 15 XY 0.001271 0.000757 0.001782 0.000678 0.000211 224 F 15 XZ 0.004960 0.001637 0.001050 0.001873 -0.004625 225 F 15 YZ 0.004666 0.002701 -0.001873 -0.003553 0.000972 226 F 16 S 0.003018 0.005865 -0.004266 -0.005800 0.004941 227 F 16 S 0.010847 0.010658 -0.002554 -0.015353 -0.015189 228 F 16 S -0.028969 -0.074969 0.088834 0.061062 -0.175776 229 F 16 X -0.034172 -0.022587 -0.015454 0.021118 -0.017561 230 F 16 Y -0.056008 -0.065092 0.012557 0.057956 -0.008104 231 F 16 Z 0.038976 -0.003873 -0.008892 -0.023430 0.024236 232 F 16 X -0.061545 -0.039231 -0.010874 0.013133 -0.039501 233 F 16 Y -0.018974 -0.048154 0.003535 0.005793 0.087112 234 F 16 Z -0.002193 -0.026284 0.007782 -0.009532 0.000204 235 F 16 XX 0.001248 0.001337 -0.002019 -0.002325 0.004858 236 F 16 YY 0.001873 -0.000685 0.001582 0.003459 -0.004376 237 F 16 ZZ -0.003121 -0.000652 0.000437 -0.001134 -0.000482 238 F 16 XY 0.005457 0.003075 -0.000452 -0.003937 -0.000532 239 F 16 XZ -0.002565 -0.000910 0.000332 0.001836 0.000656 240 F 16 YZ 0.007210 0.005443 -0.003519 -0.004241 0.003591 241 F 17 S -0.002953 -0.002996 0.002767 -0.000122 -0.002230 242 F 17 S 0.002090 0.004403 -0.006095 -0.002209 -0.015341 243 F 17 S 0.061776 0.083609 -0.084858 -0.001971 -0.011090 244 F 17 X -0.008356 0.003864 0.047522 0.006707 -0.032686 245 F 17 Y -0.009854 -0.020370 -0.002790 -0.011304 -0.039345 246 F 17 Z 0.009132 -0.044589 0.007803 -0.007352 -0.027265 247 F 17 X -0.000933 0.014297 0.039663 0.009901 -0.071969 248 F 17 Y 0.021751 0.047806 0.020379 -0.016084 -0.078177 249 F 17 Z 0.028020 0.012829 -0.033515 0.001245 -0.014228 250 F 17 XX -0.000917 -0.005130 0.000406 -0.000239 -0.001676 251 F 17 YY 0.002465 0.003670 0.001160 -0.000992 0.000084 252 F 17 ZZ -0.001548 0.001459 -0.001566 0.001231 0.001592 253 F 17 XY 0.000881 0.000615 0.001329 0.001327 -0.000086 254 F 17 XZ -0.000183 -0.000972 0.000016 0.000834 0.002382 255 F 17 YZ 0.000525 0.006569 -0.003018 0.001694 0.004447 256 F 18 S 0.002032 0.000597 0.003821 -0.002392 0.001490 257 F 18 S 0.012895 0.000066 0.005897 -0.001883 0.017133 258 F 18 S 0.037116 0.008290 -0.061240 0.029889 0.073919 259 F 18 X 0.006516 0.002482 0.029006 0.008510 -0.008783 260 F 18 Y -0.005465 0.005935 0.024106 -0.004032 0.007842 261 F 18 Z -0.000825 0.003112 -0.028795 0.002863 0.019907 262 F 18 X 0.007182 0.017105 0.026428 0.014389 -0.048198 263 F 18 Y -0.013339 -0.004488 0.058625 0.001540 -0.031587 264 F 18 Z -0.030627 -0.005899 -0.002467 -0.006422 -0.016731 265 F 18 XX -0.000962 -0.001253 0.002748 0.000225 -0.001617 266 F 18 YY 0.000802 -0.000380 0.002079 -0.001160 -0.003267 267 F 18 ZZ 0.000160 0.001632 -0.004828 0.000936 0.004884 268 F 18 XY 0.000644 -0.000581 0.000582 -0.000011 -0.002518 269 F 18 XZ -0.001064 0.001064 0.002355 -0.000858 -0.002769 270 F 18 YZ -0.002242 0.000280 0.003371 0.001235 -0.000812 271 C 19 S -0.016886 0.078001 -0.001887 -0.011637 0.042649 272 C 19 S -0.038383 0.194426 -0.014302 -0.036304 0.121429 273 C 19 S 0.279998 -1.138602 -0.399026 0.053345 0.033958 274 C 19 X 0.106992 -0.195622 0.000413 0.007261 -0.102676 275 C 19 Y 0.079674 -0.228640 0.063231 0.135928 -0.144638 276 C 19 Z 0.020726 0.025705 -0.053318 0.003278 -0.061363 277 C 19 X -0.261903 1.032885 0.536208 0.110056 0.020428 278 C 19 Y 0.192268 0.374235 -0.036806 -0.158271 0.123777 279 C 19 Z -0.012709 -0.107378 0.306273 -0.129078 0.222465 280 C 19 XX 0.001389 0.026016 0.017021 0.026378 -0.007620 281 C 19 YY 0.043370 -0.049595 -0.007340 -0.015149 -0.001229 282 C 19 ZZ -0.044760 0.023579 -0.009681 -0.011228 0.008849 283 C 19 XY 0.004270 -0.024875 0.005962 0.029569 -0.010245 284 C 19 XZ 0.001475 -0.027371 0.017522 -0.004156 0.025198 285 C 19 YZ 0.012587 0.005916 -0.030809 0.024753 -0.017597 286 H 20 S 0.085915 -0.050359 -0.022845 0.014372 -0.037790 287 H 20 S -0.003323 -0.398885 -0.395939 -0.142014 0.128509 288 H 20 X -0.012418 0.016371 0.010185 0.020171 -0.004027 289 H 20 Y -0.003114 0.008329 0.000998 0.016279 0.002569 290 H 20 Z -0.002693 -0.011785 0.010752 -0.007160 0.015952 291 H 21 S -0.113808 -0.120675 0.129807 -0.097119 0.072174 292 H 21 S -0.107537 0.207353 0.054699 0.042548 -0.019621 293 H 21 X -0.003053 -0.001332 -0.008210 0.000453 -0.013593 294 H 21 Y 0.012213 -0.025447 -0.008138 -0.027900 -0.005703 295 H 21 Z 0.024712 -0.016004 0.000650 0.017889 -0.000802 296 C 22 S 0.002403 0.006903 0.017439 0.003771 -0.006347 297 C 22 S 0.006918 0.021086 0.049875 0.010531 -0.025455 298 C 22 S -0.036504 0.160702 0.252126 0.149681 -0.031786 299 C 22 X -0.009254 0.000381 -0.110805 0.015593 -0.060414 300 C 22 Y 0.007633 0.022659 0.070114 -0.018196 -0.026382 301 C 22 Z -0.012315 -0.015186 0.065913 -0.081138 0.023402 302 C 22 X 0.046072 0.041471 0.427597 0.141372 0.362180 303 C 22 Y 0.090092 0.088724 0.180952 -0.002836 0.338630 304 C 22 Z 0.103569 -0.011978 -0.258861 0.251744 -0.015489 305 C 22 XX -0.004062 -0.003039 0.025181 0.000415 0.023402 306 C 22 YY -0.007808 0.001805 0.011749 0.035223 -0.002557 307 C 22 ZZ 0.011870 0.001235 -0.036929 -0.035637 -0.020845 308 C 22 XY -0.000919 -0.007603 0.023527 0.008169 0.030666 309 C 22 XZ -0.014042 0.003258 0.034451 -0.027322 0.007644 310 C 22 YZ 0.000969 -0.003324 0.003958 -0.015000 -0.010451 311 H 23 S -0.002886 -0.018109 0.159563 0.080185 0.216301 312 H 23 S 0.104922 0.102229 0.080297 -0.078945 0.131248 313 H 23 X 0.002644 0.003186 -0.011950 -0.002766 -0.014122 314 H 23 Y 0.001325 0.000128 0.002794 -0.009770 -0.002894 315 H 23 Z 0.005004 -0.000894 -0.012354 0.016145 0.002591 316 H 24 S -0.037340 0.009408 0.007745 -0.207382 -0.035107 317 H 24 S -0.002853 -0.006469 -0.061527 0.028643 -0.072265 318 H 24 X -0.005847 0.002356 0.019764 -0.000005 0.010500 319 H 24 Y -0.000732 -0.002533 0.012780 -0.005286 0.012266 320 H 24 Z 0.003031 -0.000465 -0.008922 -0.016752 0.001848 321 H 25 S 0.082732 -0.023112 -0.258875 0.034528 -0.034849 322 H 25 S -0.028917 -0.048879 0.023243 -0.047207 0.037157 323 H 25 X 0.002474 -0.004524 0.008200 0.007047 0.017342 324 H 25 Y 0.000900 0.005162 0.000525 0.017344 -0.000888 325 H 25 Z -0.006590 0.005563 0.010528 0.026719 -0.001096 326 C 26 S -0.068965 0.036029 -0.041057 -0.041072 -0.005208 327 C 26 S -0.157092 0.079882 -0.108713 -0.086454 -0.018212 328 C 26 S 0.401615 -0.325026 0.163663 0.111673 -0.013982 329 C 26 X 0.010680 0.075134 0.051544 0.037820 -0.016116 330 C 26 Y 0.021296 0.022730 -0.081747 0.033676 0.033645 331 C 26 Z -0.235693 0.101182 -0.149739 -0.257036 -0.011243 332 C 26 X -0.003910 -0.152410 -0.162127 -0.008921 0.126598 333 C 26 Y 0.105247 0.020564 0.524442 -0.210906 0.317871 334 C 26 Z 0.389884 -0.372807 0.196860 0.280080 0.073444 335 C 26 XX -0.013369 -0.002298 0.020350 -0.037951 0.023599 336 C 26 YY -0.010380 0.013296 -0.029523 0.013655 -0.005912 337 C 26 ZZ 0.023749 -0.010998 0.009173 0.024296 -0.017688 338 C 26 XY -0.012378 0.016679 0.027089 0.012769 0.031259 339 C 26 XZ -0.016423 0.027233 -0.004210 0.018974 0.001394 340 C 26 YZ -0.006972 -0.001204 0.006929 0.021737 0.022731 341 H 27 S -0.064417 -0.015698 0.117347 0.020273 0.207443 342 H 27 S 0.084281 -0.014599 0.025857 -0.121272 0.113388 343 H 27 X 0.001509 -0.005776 -0.025836 0.009811 -0.019080 344 H 27 Y -0.002245 -0.012739 0.008587 -0.022602 -0.010300 345 H 27 Z 0.001279 -0.010319 0.001656 -0.026192 -0.018077 346 H 28 S 0.092507 -0.032589 -0.130772 0.088513 -0.125639 347 H 28 S -0.160735 -0.114651 -0.196403 -0.023813 -0.066460 348 H 28 X 0.002565 0.001063 0.006365 0.012460 0.009292 349 H 28 Y -0.013057 0.003267 -0.002211 -0.008132 -0.006354 350 H 28 Z -0.015474 0.011234 -0.010007 0.016626 0.020905 351 H 29 S 0.048163 -0.051704 0.124564 -0.039412 0.015248 352 H 29 S -0.014664 0.045492 0.105872 -0.026521 0.077547 353 H 29 X -0.002371 -0.015647 -0.002491 -0.029664 0.013696 354 H 29 Y -0.005052 0.008168 0.019865 -0.009487 0.019494 355 H 29 Z -0.016952 0.017136 -0.008473 -0.008909 -0.005404 356 C 30 S 0.053873 -0.036888 0.056093 -0.019605 0.030317 357 C 30 S 0.141293 -0.085894 0.140643 -0.031797 0.067065 358 C 30 S -0.336844 0.038059 -0.370576 -0.039375 -0.197877 359 C 30 X -0.030437 -0.058208 -0.022470 -0.019134 0.021282 360 C 30 Y -0.044727 0.045681 0.086770 0.028487 -0.092650 361 C 30 Z -0.134568 0.125872 -0.187877 0.162130 -0.174499 362 C 30 X -0.040961 -0.042618 0.050842 -0.123413 -0.021418 363 C 30 Y 0.372809 -0.210120 -0.298382 0.050677 0.172357 364 C 30 Z 0.405711 -0.088698 0.477461 -0.046366 0.160893 365 C 30 XX -0.010987 0.014682 0.042534 -0.017065 0.026588 366 C 30 YY 0.014878 -0.020204 -0.029046 0.001762 0.020748 367 C 30 ZZ -0.003891 0.005522 -0.013488 0.015304 -0.047336 368 C 30 XY 0.004134 0.007173 -0.004001 0.025049 0.010731 369 C 30 XZ -0.007750 0.007415 -0.003094 0.020719 -0.010990 370 C 30 YZ 0.010661 0.005941 0.021501 0.002730 0.026983 371 H 31 S 0.025744 -0.088900 -0.266354 -0.010251 -0.048856 372 H 31 S 0.125877 -0.050803 0.056636 -0.020410 0.056278 373 H 31 X -0.002467 -0.006232 0.001838 -0.014895 -0.002528 374 H 31 Y 0.007088 0.005127 0.002348 0.007863 -0.007177 375 H 31 Z -0.013079 0.002003 -0.009555 -0.007697 -0.041673 376 H 32 S -0.094121 0.054392 0.087088 -0.075447 0.009482 377 H 32 S -0.154174 -0.139094 -0.030270 -0.084830 0.073784 378 H 32 X 0.018264 0.001949 -0.004678 0.026801 -0.009490 379 H 32 Y 0.005811 -0.012345 -0.018846 -0.007543 0.010915 380 H 32 Z -0.002280 -0.004636 -0.007887 0.004094 0.020619 381 H 33 S -0.124752 0.070686 0.041036 0.056011 0.028990 382 H 33 S -0.047725 0.117941 -0.026258 -0.045677 -0.023676 383 H 33 X -0.010043 0.009071 0.004287 -0.013047 0.015704 384 H 33 Y 0.007543 -0.000154 -0.016496 0.017543 0.008576 385 H 33 Z -0.006008 0.021224 -0.003704 0.017020 -0.000580 386 H 34 S -0.095620 0.096013 -0.116233 0.088608 -0.148313 387 H 34 S -0.115745 0.114205 0.117078 0.051079 0.010165 388 H 34 X -0.003896 -0.018956 0.009527 -0.000155 0.004298 389 H 34 Y 0.015557 -0.027223 -0.004095 0.002931 -0.012161 390 H 34 Z -0.022332 0.004742 -0.004780 -0.009551 0.000469 391 F 35 S -0.003108 -0.010868 -0.004787 0.002981 0.018180 392 F 35 S -0.009045 -0.017447 -0.014394 0.000821 0.013385 393 F 35 S 0.037104 0.165339 0.024997 -0.067375 -0.308569 394 F 35 X -0.054878 -0.096703 -0.019171 0.029046 0.061381 395 F 35 Y 0.024445 -0.000442 0.025722 0.003304 -0.019292 396 F 35 Z 0.033907 0.021321 -0.019492 -0.026416 0.008515 397 F 35 X -0.032645 -0.046302 -0.017000 0.001709 -0.053470 398 F 35 Y 0.004633 -0.008983 0.022611 -0.008351 -0.005567 399 F 35 Z 0.005983 -0.058643 0.001574 0.004449 0.047661 400 F 35 XX 0.006729 0.009751 0.001298 -0.003687 -0.006692 401 F 35 YY -0.005990 -0.007478 0.000692 0.003281 0.003425 402 F 35 ZZ -0.000740 -0.002273 -0.001989 0.000406 0.003267 403 F 35 XY -0.001298 0.000552 0.001329 -0.001665 -0.001029 404 F 35 XZ -0.007116 -0.010962 0.003063 0.005693 0.004873 405 F 35 YZ -0.000471 -0.001347 0.000385 0.001090 0.000656 406 F 36 S 0.001275 -0.003923 0.006069 0.001262 -0.005623 407 F 36 S 0.012050 0.007347 0.016125 0.007257 -0.009073 408 F 36 S 0.026133 0.133378 -0.068777 0.002207 0.075362 409 F 36 X 0.016456 0.012583 -0.029018 -0.002195 0.037706 410 F 36 Y 0.016130 0.001675 0.011161 0.001062 -0.014067 411 F 36 Z 0.000928 -0.073964 0.048685 0.019291 0.019258 412 F 36 X -0.004947 -0.071234 -0.005516 0.016150 0.065121 413 F 36 Y -0.003697 -0.014747 0.014019 -0.001075 0.006747 414 F 36 Z 0.009470 0.003672 0.005349 0.025992 0.032989 415 F 36 XX -0.001341 -0.007567 0.003741 0.001675 0.001464 416 F 36 YY -0.000709 -0.005766 0.002683 0.001367 0.001846 417 F 36 ZZ 0.002050 0.013333 -0.006424 -0.003042 -0.003310 418 F 36 XY 0.000433 0.000186 0.000670 -0.000566 0.000130 419 F 36 XZ -0.005616 -0.005503 0.000867 0.003310 0.000738 420 F 36 YZ -0.003231 -0.003463 0.001891 0.000184 0.000746 421 C 37 S 0.009310 0.001137 -0.002050 -0.043263 0.007623 422 C 37 S 0.010214 0.107823 0.080032 -0.118689 -0.047562 423 C 37 S -0.266023 2.548190 1.776462 0.132722 -0.524255 424 C 37 X -0.025770 -0.048585 -0.039137 0.048148 -0.026442 425 C 37 Y -0.113502 0.187314 -0.055489 -0.067706 0.086354 426 C 37 Z -0.050326 0.111409 0.153196 -0.061948 0.058715 427 C 37 X 0.135996 -1.138337 -0.808241 -0.087091 0.373121 428 C 37 Y 0.184967 1.163617 1.295945 0.099946 -0.429515 429 C 37 Z -0.027161 0.007356 0.115114 0.207369 -0.090017 430 C 37 XX -0.053028 0.029415 -0.020756 -0.018673 0.074542 431 C 37 YY 0.031753 -0.005507 0.009904 0.002761 -0.048065 432 C 37 ZZ 0.021275 -0.023908 0.010852 0.015911 -0.026477 433 C 37 XY 0.021019 -0.011558 -0.009288 -0.017479 -0.001452 434 C 37 XZ 0.000113 -0.011410 0.022463 0.009215 0.003077 435 C 37 YZ 0.006473 0.010952 0.039219 0.014615 -0.006373 436 S 38 S -0.030121 -0.012097 0.000805 -0.044306 -0.022379 437 S 38 S -0.230779 -0.087068 0.006243 -0.323561 -0.166471 438 S 38 S -0.400581 -0.113499 0.004319 -0.473375 -0.253168 439 S 38 S -0.404210 0.169139 -0.026326 0.783422 0.048876 440 S 38 X 0.047700 0.029783 -0.002627 -0.062253 0.004548 441 S 38 Y -0.040143 0.047890 -0.003465 0.021270 0.021262 442 S 38 Z -0.027849 -0.031501 0.006866 0.025201 0.027405 443 S 38 X 0.302397 0.190161 -0.041182 -0.346367 0.073217 444 S 38 Y -0.296979 0.256396 -0.015711 0.124591 0.102048 445 S 38 Z -0.161905 -0.164302 0.043285 0.125801 0.148381 446 S 38 X -0.282049 -0.530385 -0.269397 0.438677 -0.001123 447 S 38 Y 0.750488 -0.758856 -0.256445 -0.297553 0.049338 448 S 38 Z 0.142236 0.188859 0.028447 -0.229167 -0.160234 449 S 38 XX -0.061147 -0.091157 0.004312 -0.124201 -0.105014 450 S 38 YY -0.165367 0.003089 0.059953 -0.040537 -0.093051 451 S 38 ZZ 0.226514 0.088068 -0.064265 0.164738 0.198065 452 S 38 XY 0.043962 -0.019235 0.000645 -0.078626 -0.024886 453 S 38 XZ -0.072559 -0.036571 -0.118279 -0.030783 -0.008573 454 S 38 YZ -0.079056 0.090255 0.018978 -0.180917 -0.050766 455 S 38 XX -0.008311 -0.006982 0.001722 -0.018354 -0.012129 456 S 38 YY -0.014993 -0.006525 0.005827 -0.006377 -0.012900 457 S 38 ZZ 0.023303 0.013506 -0.007549 0.024731 0.025029 458 S 38 XY 0.002543 -0.000930 0.001209 -0.008938 -0.003975 459 S 38 XZ -0.008912 -0.003517 -0.015667 -0.004405 -0.001008 460 S 38 YZ -0.009959 0.013275 0.003674 -0.025885 -0.007423 461 H 39 S -0.115365 0.131853 -0.086984 0.072073 0.218583 462 H 39 S 0.209725 0.443384 0.532694 0.005782 -0.366454 463 H 39 X -0.025146 0.015963 -0.016800 0.000662 0.051334 464 H 39 Y 0.003396 -0.002876 0.007359 0.002489 -0.008308 465 H 39 Z -0.006255 0.001360 0.012810 0.002289 -0.000861 161 162 163 164 165 0.6700 0.6733 0.6771 0.6869 0.6956 A A A A A 1 C 1 S -0.055118 -0.045580 -0.019079 -0.013366 -0.028796 2 C 1 S -0.063445 -0.089264 -0.071814 -0.116523 -0.032399 3 C 1 S 0.248163 0.353672 -0.112887 -1.010978 0.301304 4 C 1 X 0.118453 0.039429 -0.003407 0.174447 -0.049834 5 C 1 Y -0.024560 -0.076560 -0.019704 0.023304 -0.040054 6 C 1 Z 0.127480 -0.024631 0.088720 0.084759 0.050474 7 C 1 X -1.034989 -0.471624 0.525986 1.490889 -0.161159 8 C 1 Y -0.006498 0.260733 -0.133310 -0.412395 0.206792 9 C 1 Z 0.007243 0.045888 -0.126621 -0.209694 -0.003039 10 C 1 XX -0.026412 -0.006284 -0.009249 0.005157 0.017515 11 C 1 YY -0.066420 -0.013835 0.016113 0.022227 -0.054421 12 C 1 ZZ 0.092833 0.020119 -0.006864 -0.027384 0.036906 13 C 1 XY 0.020506 0.035670 -0.028632 -0.039806 -0.012263 14 C 1 XZ -0.009753 0.024721 -0.022476 -0.021985 0.014762 15 C 1 YZ -0.051396 0.002656 -0.004149 -0.021367 -0.018626 16 C 2 S -0.066271 -0.013202 -0.028925 -0.078279 0.012505 17 C 2 S -0.157667 -0.011103 -0.024740 -0.057952 -0.025076 18 C 2 S -1.084297 -0.680368 0.799597 2.035060 -1.007644 19 C 2 X -0.166568 -0.093842 0.035237 0.064615 0.036653 20 C 2 Y 0.022652 0.069551 -0.033035 -0.171497 0.002790 21 C 2 Z 0.113056 -0.038888 0.072500 0.072259 -0.065161 22 C 2 X -0.456772 -0.262761 0.292951 1.356402 -0.448356 23 C 2 Y -0.136650 -0.224055 0.420120 0.442562 -0.609390 24 C 2 Z -0.154365 0.032868 -0.027057 -0.149251 0.045456 25 C 2 XX -0.017625 -0.026358 0.005138 -0.034699 0.012316 26 C 2 YY -0.041519 -0.018659 -0.020225 -0.007422 0.006892 27 C 2 ZZ 0.059144 0.045017 0.015087 0.042121 -0.019209 28 C 2 XY -0.013339 -0.017491 -0.008697 -0.027206 0.013019 29 C 2 XZ 0.025443 -0.005750 0.019558 0.020441 0.001291 30 C 2 YZ -0.014564 0.004962 -0.014901 -0.003511 -0.006008 31 C 3 S -0.027608 -0.007519 -0.026359 -0.009463 0.009677 32 C 3 S -0.107288 -0.072834 -0.070526 0.014075 -0.033350 33 C 3 S -0.714528 -0.767072 0.309162 0.057566 -0.059488 34 C 3 X 0.111234 0.156193 -0.128478 -0.246072 0.024583 35 C 3 Y 0.076780 0.043138 0.050623 0.095093 -0.089474 36 C 3 Z -0.066537 -0.017587 -0.003043 0.011179 -0.092763 37 C 3 X 0.900478 0.496664 0.289582 -0.300041 0.949307 38 C 3 Y -0.857048 -0.657879 0.637703 0.439979 -0.994475 39 C 3 Z 0.255577 0.023739 -0.003534 0.048026 0.136511 40 C 3 XX -0.019559 -0.024996 0.007595 -0.011426 0.047368 41 C 3 YY -0.000908 0.022006 -0.012213 -0.032772 -0.022343 42 C 3 ZZ 0.020467 0.002989 0.004618 0.044197 -0.025025 43 C 3 XY -0.001019 -0.005071 0.017405 0.011107 0.001638 44 C 3 XZ 0.015051 0.009323 0.018728 0.020213 0.028755 45 C 3 YZ 0.001359 -0.006795 0.023355 -0.002413 0.005836 46 C 4 S 0.008789 0.003770 -0.012298 -0.010121 0.054087 47 C 4 S 0.000325 0.011318 -0.007198 -0.019173 0.147725 48 C 4 S -0.207634 -0.044123 -0.045503 0.218448 -0.436543 49 C 4 X 0.026794 -0.037883 -0.042382 0.078277 -0.026350 50 C 4 Y -0.085221 0.069068 -0.058624 -0.035660 -0.121310 51 C 4 Z 0.128402 0.056196 -0.009015 0.024478 0.099300 52 C 4 X -0.054178 0.019618 0.459478 -0.243313 -0.180859 53 C 4 Y 0.694804 0.073864 0.603153 0.132240 0.677312 54 C 4 Z -0.420702 0.130171 0.024942 -0.294538 -0.196554 55 C 4 XX -0.005769 0.021656 -0.015026 -0.040947 -0.018246 56 C 4 YY 0.004285 -0.004711 0.004138 0.033199 0.046402 57 C 4 ZZ 0.001484 -0.016945 0.010889 0.007748 -0.028156 58 C 4 XY 0.016462 0.008125 -0.025809 -0.018360 0.021582 59 C 4 XZ -0.005628 0.002746 0.001605 -0.014583 -0.019817 60 C 4 YZ -0.020905 0.027757 -0.030992 -0.018379 -0.014587 61 S 5 S -0.016886 -0.008450 0.000914 0.013445 -0.020213 62 S 5 S -0.120936 -0.065263 0.006060 0.098489 -0.145800 63 S 5 S -0.163931 -0.120151 0.006040 0.141050 -0.199366 64 S 5 S 0.590712 0.032942 -0.098960 -0.253686 0.440691 65 S 5 X 0.000846 -0.038501 0.007335 -0.004577 0.038280 66 S 5 Y 0.038783 -0.003058 -0.008341 -0.001160 0.010776 67 S 5 Z -0.054996 -0.012539 0.022427 -0.028004 -0.024636 68 S 5 X 0.020006 -0.218113 0.042606 0.002415 0.204655 69 S 5 Y 0.224340 -0.033511 -0.059234 0.010969 0.045894 70 S 5 Z -0.290590 -0.061816 0.126289 -0.144764 -0.132952 71 S 5 X -0.147497 0.307099 -0.065901 -0.010903 -0.399446 72 S 5 Y -0.449584 -0.051392 0.075886 0.288914 0.071175 73 S 5 Z 0.430877 0.076546 -0.099971 0.245712 0.240470 74 S 5 XX 0.021754 -0.064854 0.043525 0.186150 -0.039327 75 S 5 YY -0.018952 -0.008042 -0.077197 -0.090106 -0.014687 76 S 5 ZZ -0.002802 0.072896 0.033672 -0.096044 0.054014 77 S 5 XY 0.020883 -0.012419 -0.013990 0.016122 -0.055026 78 S 5 XZ 0.147052 0.036802 0.017846 0.088533 0.072191 79 S 5 YZ 0.081491 -0.094035 0.069707 0.042947 0.002912 80 S 5 XX 0.004485 -0.005872 0.002849 0.021341 -0.007732 81 S 5 YY -0.005615 -0.001375 -0.006637 -0.007688 -0.001734 82 S 5 ZZ 0.001131 0.007247 0.003788 -0.013652 0.009466 83 S 5 XY 0.000726 -0.000462 -0.002132 0.002387 -0.004904 84 S 5 XZ 0.022395 0.004446 0.002804 0.013113 0.012446 85 S 5 YZ 0.009210 -0.012377 0.010370 0.005478 -0.000774 86 H 6 S -0.153326 -0.141217 0.021182 -0.080592 0.057991 87 H 6 S -0.071856 -0.042038 0.307749 0.520727 -0.377475 88 H 6 X 0.016696 0.012447 0.009714 0.039782 -0.015511 89 H 6 Y 0.027135 0.025639 0.001206 0.019475 -0.012774 90 H 6 Z 0.000882 -0.000915 0.002435 -0.001799 0.000953 91 C 7 S -0.005764 -0.003995 0.006720 -0.013015 -0.018645 92 C 7 S 0.009192 -0.014751 0.005430 0.012621 -0.110897 93 C 7 S 0.375888 1.061346 -1.318771 0.540051 -1.021800 94 C 7 X -0.007893 0.071669 0.132397 -0.148241 0.132733 95 C 7 Y -0.021133 -0.080945 -0.033960 -0.033528 0.153286 96 C 7 Z 0.178324 -0.005249 0.121069 -0.000394 -0.168059 97 C 7 X 0.406625 0.823114 -0.061560 -0.427376 0.016444 98 C 7 Y -0.321348 -0.377953 0.990863 -0.056399 0.570782 99 C 7 Z -0.325736 -0.072317 -0.111084 0.052836 0.238476 100 C 7 XX -0.008103 0.036929 -0.018433 -0.034338 0.016470 101 C 7 YY -0.030003 0.007082 -0.025525 0.010475 -0.016510 102 C 7 ZZ 0.038106 -0.044011 0.043958 0.023863 0.000039 103 C 7 XY -0.014600 0.037049 -0.006885 -0.011718 0.031511 104 C 7 XZ -0.003640 0.009175 0.033411 0.029619 0.021281 105 C 7 YZ -0.043719 0.029845 -0.055107 0.022205 0.027584 106 C 8 S -0.027994 -0.028805 -0.040226 -0.022211 -0.022713 107 C 8 S -0.014819 -0.131939 -0.101698 -0.020618 -0.034177 108 C 8 S -0.422491 -0.960442 0.052202 0.145110 0.155068 109 C 8 X -0.020602 0.067158 0.121963 0.034110 0.110080 110 C 8 Y 0.034098 0.118432 -0.041235 -0.017732 -0.094498 111 C 8 Z 0.005014 -0.265334 -0.070901 -0.046376 -0.038659 112 C 8 X 0.151335 -0.611379 -0.467455 -0.195459 -0.502468 113 C 8 Y 0.159117 1.356621 0.699990 -0.020202 0.530933 114 C 8 Z 0.047547 0.231401 0.117574 0.026200 0.088208 115 C 8 XX -0.064035 0.024563 0.001466 -0.023327 -0.016339 116 C 8 YY -0.038198 -0.001255 -0.024975 -0.020268 -0.006912 117 C 8 ZZ 0.102233 -0.023308 0.023509 0.043594 0.023251 118 C 8 XY 0.005489 -0.006087 -0.013001 0.018441 -0.026443 119 C 8 XZ 0.021552 -0.060622 -0.016053 -0.024584 -0.011458 120 C 8 YZ -0.007509 -0.012550 0.003394 -0.012602 -0.013480 121 C 9 S 0.031081 0.030173 0.029543 0.025251 0.007444 122 C 9 S 0.054650 0.026386 0.032461 0.056820 0.014366 123 C 9 S -0.995205 -1.154355 -0.325859 -0.145672 -0.361722 124 C 9 X 0.052801 -0.023181 -0.036931 0.025287 -0.019467 125 C 9 Y -0.107165 0.054855 -0.098249 -0.107541 0.048855 126 C 9 Z -0.001868 -0.063221 -0.084190 0.086230 0.102790 127 C 9 X 0.075873 0.363843 -0.758754 -0.217024 -0.715525 128 C 9 Y -0.315323 -1.118658 0.252494 0.401219 -0.248601 129 C 9 Z -0.138371 -0.375876 -0.054136 -0.026337 -0.463767 130 C 9 XX 0.005162 -0.006142 0.023171 0.004072 -0.020676 131 C 9 YY -0.046573 -0.010550 -0.019348 -0.038944 -0.043696 132 C 9 ZZ 0.041412 0.016692 -0.003824 0.034872 0.064372 133 C 9 XY 0.008306 -0.011275 -0.028077 0.009380 -0.060921 134 C 9 XZ 0.016295 -0.018033 -0.030492 0.022637 -0.004541 135 C 9 YZ 0.043456 -0.030196 0.020105 0.007848 0.015461 136 C 10 S -0.012135 0.002452 -0.006875 0.063072 -0.035101 137 C 10 S -0.065850 0.006016 0.037639 0.156408 -0.022373 138 C 10 S 0.333628 0.256974 0.602399 0.109899 -0.065226 139 C 10 X -0.004613 0.025995 -0.047441 -0.082988 0.122301 140 C 10 Y 0.133751 0.227638 -0.095429 -0.134469 -0.122852 141 C 10 Z 0.005062 0.086889 0.026269 -0.041400 -0.061813 142 C 10 X -0.902340 -1.162993 1.722578 -0.358052 1.110377 143 C 10 Y 0.574870 0.636491 -0.568584 -0.678987 0.240788 144 C 10 Z 0.072224 0.042449 -0.153721 0.208407 -0.302459 145 C 10 XX 0.015847 -0.010822 -0.051299 0.034542 -0.044130 146 C 10 YY 0.021379 0.009818 0.024635 0.008544 -0.042110 147 C 10 ZZ -0.037227 0.001004 0.026664 -0.043086 0.086240 148 C 10 XY 0.002778 -0.029977 0.039243 0.016098 -0.064643 149 C 10 XZ 0.012620 -0.018108 0.017265 0.002644 -0.004781 150 C 10 YZ 0.013326 0.001289 0.010491 -0.002622 -0.006114 151 C 11 S -0.024973 -0.037058 0.036987 0.050009 -0.052235 152 C 11 S 0.025534 0.025222 0.033202 0.023155 -0.148594 153 C 11 S 1.198513 1.222700 -0.807380 -0.284117 1.163098 154 C 11 X 0.011308 -0.047594 0.009091 0.041021 0.234463 155 C 11 Y 0.094028 0.000534 -0.038075 0.015304 -0.086971 156 C 11 Z 0.023186 -0.129267 0.003194 -0.083907 -0.126077 157 C 11 X 1.360508 1.209553 -0.634299 -1.047580 0.314603 158 C 11 Y 0.086999 0.365073 -0.973216 -0.484310 -0.244990 159 C 11 Z -0.008761 0.117392 0.147426 -0.025414 0.124063 160 C 11 XX -0.009994 -0.018123 0.004644 0.104526 -0.003048 161 C 11 YY -0.037861 -0.035593 0.016752 -0.006268 0.028926 162 C 11 ZZ 0.047855 0.053716 -0.021396 -0.098258 -0.025878 163 C 11 XY 0.004225 0.011432 -0.030480 -0.020512 0.049661 164 C 11 XZ -0.007969 -0.005204 -0.000039 0.018175 -0.009054 165 C 11 YZ -0.001873 0.008364 -0.002448 0.006780 0.012767 166 C 12 S 0.024511 0.008274 -0.041019 0.031094 -0.073658 167 C 12 S 0.036620 -0.026755 -0.053059 0.055695 -0.118101 168 C 12 S -0.686049 -0.854594 1.645435 -0.597445 1.288846 169 C 12 X 0.078625 0.024342 -0.185600 0.053331 -0.101065 170 C 12 Y -0.006445 -0.063344 0.042453 0.205693 -0.112956 171 C 12 Z 0.012999 0.065210 0.459110 -0.102539 -0.173734 172 C 12 X -0.678885 -0.813713 0.938211 -0.260597 0.689763 173 C 12 Y -0.173155 0.001176 -0.477414 0.439708 -0.686440 174 C 12 Z 0.152476 -0.059332 -0.830738 0.016737 0.308859 175 C 12 XX -0.014319 0.007588 0.050437 0.008123 -0.002880 176 C 12 YY 0.005263 -0.003039 0.081778 -0.024470 -0.039207 177 C 12 ZZ 0.009056 -0.004549 -0.132216 0.016347 0.042088 178 C 12 XY 0.031466 0.016958 -0.013677 -0.029798 0.007046 179 C 12 XZ -0.008310 0.032414 0.030681 0.000322 -0.007739 180 C 12 YZ 0.001267 -0.016379 0.002676 0.037206 -0.007118 181 C 13 S 0.001380 0.048152 0.021703 0.043525 -0.067984 182 C 13 S -0.001532 0.123215 0.031823 0.167210 -0.234252 183 C 13 S -0.263074 -0.099368 -0.926021 0.697341 -0.216138 184 C 13 X 0.046318 0.027371 0.116680 -0.103408 0.002996 185 C 13 Y -0.018748 0.052826 0.034802 0.058558 0.059985 186 C 13 Z 0.033509 -0.124624 0.156611 -0.234403 0.016661 187 C 13 X -0.010854 0.337098 -0.636727 0.656696 -0.403288 188 C 13 Y -0.045722 -0.408179 0.096560 -0.217332 -0.009057 189 C 13 Z -0.264129 0.049581 -0.384696 0.885624 -0.561820 190 C 13 XX -0.008759 -0.004938 -0.016410 0.070500 -0.013580 191 C 13 YY -0.007965 0.027800 -0.067082 0.021653 0.008412 192 C 13 ZZ 0.016724 -0.022861 0.083492 -0.092153 0.005168 193 C 13 XY 0.005071 -0.017576 -0.010611 -0.036362 -0.032190 194 C 13 XZ -0.012147 0.001817 -0.006996 0.013695 0.001298 195 C 13 YZ -0.002517 0.003311 -0.003483 -0.003308 -0.000693 196 C 14 S -0.033586 -0.024114 0.031917 0.064343 -0.019141 197 C 14 S -0.063831 -0.079338 0.096112 0.109755 -0.011265 198 C 14 S 0.787988 0.275055 -0.007782 -1.532041 0.261714 199 C 14 X -0.091231 -0.130806 -0.007694 0.240362 0.076827 200 C 14 Y -0.097536 -0.035139 -0.082380 0.112418 0.336445 201 C 14 Z -0.022722 -0.056621 0.306763 -0.075716 -0.211561 202 C 14 X 0.372090 0.423451 -0.379986 -0.571063 -0.141734 203 C 14 Y 0.355143 -0.033924 0.603019 -1.041424 0.099007 204 C 14 Z 0.092012 0.294164 -0.556079 0.065660 0.365930 205 C 14 XX 0.011758 0.026410 0.004860 -0.073260 -0.047382 206 C 14 YY 0.003582 -0.031829 0.069480 0.007228 -0.043158 207 C 14 ZZ -0.015340 0.005418 -0.074340 0.066031 0.090540 208 C 14 XY 0.008580 0.038976 -0.029455 0.004067 -0.039522 209 C 14 XZ 0.008416 -0.012835 0.022955 -0.018816 -0.038794 210 C 14 YZ -0.014955 -0.026563 0.036085 -0.003291 0.004406 211 F 15 S 0.002599 -0.003674 -0.019098 0.000935 0.009309 212 F 15 S -0.000815 -0.005131 -0.015450 -0.006236 0.014145 213 F 15 S -0.055567 0.041694 0.338749 -0.034362 -0.154122 214 F 15 X 0.023225 0.015590 -0.054765 0.038580 -0.052398 215 F 15 Y 0.009321 0.025399 -0.013843 -0.020258 0.049267 216 F 15 Z -0.001757 -0.000016 0.143940 -0.020684 -0.058029 217 F 15 X 0.028542 0.059278 -0.032178 0.036500 -0.066600 218 F 15 Y 0.021096 0.002828 0.009451 -0.017678 0.053807 219 F 15 Z 0.011037 -0.020172 -0.046271 0.022355 0.026520 220 F 15 XX 0.001303 0.000049 -0.010390 0.000793 0.003101 221 F 15 YY -0.000137 -0.000328 -0.012684 0.002565 0.004150 222 F 15 ZZ -0.001166 0.000279 0.023074 -0.003358 -0.007250 223 F 15 XY -0.000899 -0.002189 -0.000219 0.001619 -0.000205 224 F 15 XZ 0.000331 -0.000471 -0.009996 0.002946 0.002411 225 F 15 YZ 0.000384 0.001799 0.002469 -0.005006 0.002515 226 F 16 S -0.002717 -0.000211 0.003574 0.002224 -0.014559 227 F 16 S 0.008553 0.008328 -0.001006 -0.011386 -0.010417 228 F 16 S 0.101059 0.017211 -0.092972 -0.089091 0.233737 229 F 16 X 0.032836 -0.008901 -0.044324 -0.001501 -0.049501 230 F 16 Y 0.014737 -0.058001 -0.044897 0.014779 0.022921 231 F 16 Z 0.001793 0.028248 0.042717 -0.069721 0.036965 232 F 16 X 0.054466 0.069167 -0.059928 0.021655 -0.029328 233 F 16 Y -0.037795 -0.023680 0.081174 0.025779 -0.043456 234 F 16 Z 0.021843 0.020186 0.049003 -0.051466 0.032382 235 F 16 XX 0.000934 0.002977 0.002054 -0.003675 -0.000285 236 F 16 YY -0.000649 -0.002656 -0.007475 0.003483 0.005157 237 F 16 ZZ -0.000285 -0.000322 0.005420 0.000192 -0.004872 238 F 16 XY -0.001808 0.002259 0.007318 -0.003175 -0.000229 239 F 16 XZ -0.000294 -0.003463 0.000377 0.000385 0.000787 240 F 16 YZ 0.000090 0.001479 -0.000188 -0.007143 0.001886 241 F 17 S -0.005954 -0.003582 0.003110 0.010068 -0.004317 242 F 17 S -0.012840 0.003941 0.006798 0.003413 0.007069 243 F 17 S 0.062036 0.087390 -0.017014 -0.183434 0.106532 244 F 17 X -0.018780 0.006051 0.013791 0.012648 0.011810 245 F 17 Y -0.022349 0.004231 0.010243 0.061397 -0.024519 246 F 17 Z -0.010479 -0.022230 0.033711 -0.026925 0.042183 247 F 17 X -0.013743 0.001223 0.008830 0.017312 0.009036 248 F 17 Y -0.017551 0.044562 -0.065915 0.026355 0.040834 249 F 17 Z -0.000982 0.002591 0.055615 -0.068214 0.028943 250 F 17 XX -0.001970 -0.002130 0.002874 0.002141 0.002278 251 F 17 YY 0.000849 0.001077 -0.005303 -0.001520 0.005818 252 F 17 ZZ 0.001121 0.001054 0.002428 -0.000621 -0.008096 253 F 17 XY -0.001239 -0.002588 -0.001592 0.003386 0.001107 254 F 17 XZ 0.000541 -0.000878 -0.000246 0.000304 0.001734 255 F 17 YZ 0.002739 0.002733 -0.001903 -0.003392 -0.004272 256 F 18 S -0.000892 0.003996 -0.013847 0.003355 0.010799 257 F 18 S -0.001521 -0.004647 -0.010587 -0.016976 0.016630 258 F 18 S -0.003878 -0.109823 0.267813 -0.140981 -0.171609 259 F 18 X -0.031530 -0.017227 -0.019766 0.050786 -0.006328 260 F 18 Y -0.004954 0.008960 -0.013699 0.036193 -0.028005 261 F 18 Z 0.001650 -0.019885 0.103829 -0.033806 -0.102588 262 F 18 X -0.020719 -0.021038 0.026118 0.027881 -0.023732 263 F 18 Y -0.015691 -0.017761 -0.021518 0.043617 -0.029669 264 F 18 Z 0.001364 0.035670 -0.050673 0.060116 0.006143 265 F 18 XX -0.000345 0.001163 -0.004643 0.003888 0.006693 266 F 18 YY -0.001538 0.000571 -0.008125 0.005017 0.007776 267 F 18 ZZ 0.001883 -0.001734 0.012768 -0.008905 -0.014469 268 F 18 XY -0.000465 -0.001475 0.004345 -0.002238 0.001056 269 F 18 XZ -0.000464 0.003525 -0.007595 0.002289 0.005697 270 F 18 YZ 0.000687 0.002601 -0.009614 0.005612 0.002535 271 C 19 S -0.013750 0.012509 0.002894 -0.000377 -0.003731 272 C 19 S -0.040073 0.030750 0.005291 -0.000984 -0.011559 273 C 19 S -0.010262 -0.340794 -0.240795 0.034645 -0.175148 274 C 19 X 0.039539 -0.044677 -0.032560 -0.016367 -0.045910 275 C 19 Y 0.127151 0.031671 0.068011 0.073968 0.104326 276 C 19 Z 0.081449 -0.097330 0.021686 -0.023136 -0.003506 277 C 19 X 0.019459 0.483677 0.415191 0.178300 0.465656 278 C 19 Y -0.083206 -0.089284 -0.224347 -0.192337 -0.441811 279 C 19 Z -0.104499 0.449843 0.013596 0.101262 0.021276 280 C 19 XX 0.016926 0.038703 -0.026522 -0.023323 -0.028217 281 C 19 YY 0.002960 -0.016864 -0.002831 0.003001 -0.015965 282 C 19 ZZ -0.019886 -0.021839 0.029353 0.020323 0.044182 283 C 19 XY 0.028112 -0.005626 0.010079 0.018071 0.026405 284 C 19 XZ -0.007734 0.061754 0.002313 0.016989 0.011635 285 C 19 YZ -0.007880 0.000568 -0.002030 -0.008076 -0.020443 286 H 20 S 0.023411 0.045744 -0.126341 -0.118723 -0.176501 287 H 20 S -0.086554 -0.372280 -0.061205 0.018919 -0.018452 288 H 20 X 0.009311 0.021955 0.000051 -0.003150 0.006951 289 H 20 Y 0.012727 0.006901 0.020277 0.012949 0.037624 290 H 20 Z -0.001699 0.034110 0.005869 0.011945 0.012707 291 H 21 S -0.023250 0.152488 0.101931 0.112606 0.179732 292 H 21 S 0.022322 0.176750 0.055661 -0.021355 0.032415 293 H 21 X 0.007508 -0.025029 0.007300 -0.000380 0.009412 294 H 21 Y 0.007110 -0.015192 -0.010521 -0.010653 -0.021179 295 H 21 Z 0.008650 0.020396 -0.011150 -0.000501 -0.019954 296 C 22 S -0.044228 -0.021087 0.031929 0.039749 -0.021953 297 C 22 S -0.118809 -0.051632 0.087181 0.105133 -0.065940 298 C 22 S 0.351594 0.275059 -0.267360 -0.507087 0.109394 299 C 22 X 0.090312 0.042218 -0.024853 0.013258 0.067458 300 C 22 Y -0.206020 -0.097719 0.103992 0.174697 -0.077630 301 C 22 Z 0.051128 0.012010 -0.019104 0.035035 0.032610 302 C 22 X 0.159563 0.039873 -0.112146 -0.354967 -0.100210 303 C 22 Y 0.472804 0.213896 -0.350793 -0.748604 0.175720 304 C 22 Z -0.202550 -0.034797 0.045324 -0.077236 -0.143660 305 C 22 XX -0.001196 0.005476 -0.014633 -0.025922 -0.001494 306 C 22 YY 0.024564 0.000279 0.000449 0.022796 0.013848 307 C 22 ZZ -0.023368 -0.005755 0.014183 0.003126 -0.012355 308 C 22 XY -0.020181 -0.031569 0.010801 0.045976 0.005829 309 C 22 XZ 0.009662 0.007546 -0.005953 0.005238 0.016506 310 C 22 YZ 0.033055 0.004242 0.001362 0.014509 0.018088 311 H 23 S 0.066154 -0.039325 -0.060207 -0.071525 0.069339 312 H 23 S 0.118257 0.111578 -0.123981 -0.464209 -0.028692 313 H 23 X -0.001839 0.004826 0.006431 -0.009414 -0.002542 314 H 23 Y 0.004358 0.012776 -0.006394 -0.024727 -0.016557 315 H 23 Z -0.015552 -0.002547 0.000240 -0.007416 -0.013365 316 H 24 S 0.070566 0.027800 -0.022884 0.007872 0.080442 317 H 24 S -0.052471 -0.087272 0.074950 0.154332 0.037340 318 H 24 X 0.007857 0.004222 -0.009261 -0.018196 0.001651 319 H 24 Y 0.001746 -0.005749 0.001165 0.018155 0.010321 320 H 24 Z -0.024193 -0.007378 0.002970 -0.006930 -0.006779 321 H 25 S -0.104982 -0.021310 0.010500 -0.046828 -0.067850 322 H 25 S -0.089735 -0.041801 0.021339 0.154196 0.045436 323 H 25 X 0.007174 0.003846 -0.014203 -0.019238 -0.005324 324 H 25 Y -0.021797 -0.013744 0.013945 0.010913 -0.005666 325 H 25 Z 0.007595 0.004462 0.000316 0.001205 0.000468 326 C 26 S 0.030398 0.007785 0.014446 0.015201 0.021024 327 C 26 S 0.093771 0.023088 0.056960 0.043110 0.064362 328 C 26 S -0.041932 -0.126040 0.111868 -0.039310 -0.281461 329 C 26 X -0.060444 0.004744 -0.076243 -0.026103 0.035423 330 C 26 Y -0.015574 -0.011588 0.021846 0.083025 0.048649 331 C 26 Z 0.044778 -0.038531 -0.027789 0.073253 0.108022 332 C 26 X -0.047809 0.044618 0.340688 0.070937 0.058643 333 C 26 Y 0.185464 0.217323 -0.122524 -0.034855 -0.058247 334 C 26 Z -0.259195 -0.160151 -0.074602 -0.017240 -0.320044 335 C 26 XX 0.023017 -0.009724 -0.041838 0.030501 0.013467 336 C 26 YY -0.047830 0.000261 0.005119 -0.016194 0.012031 337 C 26 ZZ 0.024813 0.009463 0.036719 -0.014307 -0.025499 338 C 26 XY -0.018658 0.042217 0.016494 -0.011492 0.021543 339 C 26 XZ -0.026824 0.020439 0.011791 -0.022378 0.010734 340 C 26 YZ 0.014919 0.022678 0.002370 0.020858 0.000658 341 H 27 S -0.106511 0.096136 0.005213 -0.023001 -0.011607 342 H 27 S 0.019919 -0.057310 0.000505 0.165920 -0.008241 343 H 27 X 0.011648 -0.005788 0.031140 0.002004 -0.007494 344 H 27 Y 0.038468 -0.007472 0.000387 0.000230 -0.008509 345 H 27 Z 0.014001 -0.007945 -0.008247 -0.008067 -0.002260 346 H 28 S -0.207325 -0.046666 -0.003345 -0.083026 -0.041660 347 H 28 S -0.097183 -0.126067 -0.091866 -0.002411 -0.008104 348 H 28 X -0.002854 0.011818 0.011406 -0.004195 0.016790 349 H 28 Y -0.029980 -0.012740 -0.011214 -0.010885 -0.006125 350 H 28 Z 0.015386 -0.000122 0.013027 0.035478 0.004341 351 H 29 S 0.032873 -0.122871 -0.212044 0.062204 -0.099957 352 H 29 S 0.042436 0.079793 -0.026571 -0.035034 0.009774 353 H 29 X 0.001803 -0.015304 -0.020358 0.018847 -0.008671 354 H 29 Y 0.012832 0.016368 0.004850 0.001629 0.014094 355 H 29 Z -0.026045 0.010517 -0.007848 -0.024020 0.013620 356 C 30 S -0.001430 -0.006069 -0.020377 0.003560 -0.018690 357 C 30 S 0.029089 0.003031 -0.056375 0.011776 -0.043751 358 C 30 S 0.283627 0.070130 -0.037299 0.105310 0.258291 359 C 30 X -0.015472 0.065814 0.067108 0.047309 -0.094572 360 C 30 Y 0.012685 0.021947 0.001330 -0.013389 0.054206 361 C 30 Z 0.046879 0.040111 0.050778 -0.024195 0.142151 362 C 30 X -0.009916 0.021204 -0.252249 -0.019743 0.065356 363 C 30 Y -0.206289 -0.111614 -0.115337 -0.068409 -0.159287 364 C 30 Z -0.007424 0.138090 0.055386 -0.013956 -0.119538 365 C 30 XX 0.003294 -0.013738 0.031665 0.016205 -0.036334 366 C 30 YY -0.034876 -0.016415 -0.021040 -0.012591 -0.003632 367 C 30 ZZ 0.031582 0.030153 -0.010624 -0.003614 0.039966 368 C 30 XY 0.008797 -0.019185 0.036608 0.007536 0.034826 369 C 30 XZ -0.001219 -0.013239 0.001964 -0.001179 0.021867 370 C 30 YZ 0.055750 -0.000405 0.021478 0.027940 0.018849 371 H 31 S -0.182896 -0.084343 -0.072616 -0.102777 -0.017262 372 H 31 S -0.032269 -0.146739 0.081084 0.075467 -0.093628 373 H 31 X 0.000250 0.007699 -0.019928 -0.001392 -0.008447 374 H 31 Y 0.035924 0.010482 0.017512 0.010741 0.006292 375 H 31 Z -0.014759 0.002548 0.002938 -0.014469 0.007943 376 H 32 S -0.046468 -0.001694 -0.071710 0.006553 -0.063175 377 H 32 S -0.005276 0.057389 0.003441 0.022110 0.005738 378 H 32 X 0.015575 0.001815 -0.015569 -0.014129 0.030224 379 H 32 Y -0.018729 -0.005015 -0.014158 0.000096 -0.021128 380 H 32 Z 0.012439 0.019494 0.010681 0.006236 -0.008610 381 H 33 S -0.043298 -0.081525 0.161884 0.072625 0.035959 382 H 33 S 0.026029 -0.067688 -0.132465 -0.079626 -0.057493 383 H 33 X -0.005745 -0.022850 0.016518 0.008190 0.005347 384 H 33 Y -0.017510 -0.014792 0.005260 -0.012171 0.011330 385 H 33 Z 0.015193 -0.014521 -0.009497 0.008973 0.015678 386 H 34 S -0.005655 -0.229220 0.061121 -0.010574 0.080181 387 H 34 S -0.001183 0.086577 0.011444 0.010146 0.102255 388 H 34 X -0.004839 0.010669 0.006306 0.013391 0.016021 389 H 34 Y -0.016477 -0.011918 -0.022823 -0.011555 -0.033812 390 H 34 Z -0.027094 -0.003492 0.005143 0.002978 0.014300 391 F 35 S -0.003426 -0.005333 0.008254 -0.005463 0.005435 392 F 35 S -0.001372 0.008765 0.027340 -0.029107 0.014330 393 F 35 S 0.059599 0.150442 -0.042666 -0.010503 -0.050353 394 F 35 X 0.006992 -0.006636 0.038897 -0.059373 0.059698 395 F 35 Y -0.032185 -0.012820 0.025234 0.018187 0.028146 396 F 35 Z -0.008589 -0.014427 0.054500 -0.039625 0.016475 397 F 35 X 0.030946 0.049872 0.062366 -0.110460 0.041265 398 F 35 Y -0.008813 0.028902 0.009986 0.015788 0.000574 399 F 35 Z 0.006001 -0.042972 0.042886 -0.083371 0.069189 400 F 35 XX -0.000390 0.000644 0.000147 0.000011 -0.005368 401 F 35 YY 0.000460 -0.000369 0.000364 0.000787 0.001448 402 F 35 ZZ -0.000070 -0.000275 -0.000510 -0.000798 0.003920 403 F 35 XY 0.000800 0.001514 -0.000430 0.000849 -0.000143 404 F 35 XZ 0.001613 -0.002040 0.001246 -0.003256 0.002439 405 F 35 YZ 0.001034 0.000529 -0.001190 -0.000612 -0.000893 406 F 36 S 0.004462 -0.005170 0.004511 -0.017871 0.012133 407 F 36 S 0.002811 -0.009457 -0.024557 -0.004623 0.019096 408 F 36 S -0.083169 0.071110 -0.185314 0.367359 -0.188481 409 F 36 X -0.006506 -0.015878 -0.002440 -0.003362 0.048157 410 F 36 Y -0.000223 -0.002525 -0.013709 0.016822 0.001289 411 F 36 Z 0.014262 -0.053535 0.057288 -0.112760 0.048704 412 F 36 X 0.000233 -0.036182 0.014800 -0.053300 0.067369 413 F 36 Y 0.008455 0.021566 -0.001430 -0.010631 0.004939 414 F 36 Z -0.015570 0.006238 -0.083428 0.081873 -0.014049 415 F 36 XX 0.001476 -0.004344 0.005905 -0.010890 0.003286 416 F 36 YY 0.000980 -0.003891 0.006713 -0.009091 0.003236 417 F 36 ZZ -0.002456 0.008235 -0.012618 0.019981 -0.006521 418 F 36 XY -0.000835 0.001181 0.000682 0.000645 0.001122 419 F 36 XZ 0.001043 0.001584 0.002196 -0.001249 -0.002227 420 F 36 YZ -0.000103 -0.000508 0.002956 -0.001944 0.001943 421 C 37 S -0.031620 -0.054117 -0.022237 0.011939 -0.030386 422 C 37 S -0.078700 -0.018305 -0.012854 0.017983 -0.072418 423 C 37 S 0.453377 2.080148 0.944113 -0.048284 1.068971 424 C 37 X 0.032412 0.077180 0.001223 -0.022178 0.025168 425 C 37 Y -0.142179 0.109513 0.013255 -0.083905 0.118241 426 C 37 Z 0.094475 -0.018426 0.073062 0.002724 -0.021959 427 C 37 X -0.450747 -1.052051 -0.270787 0.047092 -0.388615 428 C 37 Y 0.200245 0.849270 -0.093911 -0.060701 -0.479784 429 C 37 Z -0.197063 0.204537 -0.084694 -0.004095 -0.098102 430 C 37 XX -0.020134 -0.034121 -0.062326 -0.015406 0.013922 431 C 37 YY 0.022587 0.016189 0.046286 0.026453 0.027622 432 C 37 ZZ -0.002453 0.017932 0.016040 -0.011046 -0.041544 433 C 37 XY -0.010939 0.044449 0.001358 -0.003315 0.027525 434 C 37 XZ -0.021344 0.039351 0.010583 -0.005626 -0.012538 435 C 37 YZ -0.007716 -0.023900 -0.001537 -0.011379 -0.005204 436 S 38 S -0.033615 0.003283 -0.014456 -0.014626 -0.004079 437 S 38 S -0.245560 0.020284 -0.112400 -0.110836 -0.035112 438 S 38 S -0.359140 0.011107 -0.207143 -0.188897 -0.089725 439 S 38 S 0.623611 -0.292275 -0.411522 0.017113 -0.404388 440 S 38 X -0.038237 0.030004 0.033950 -0.005726 0.007382 441 S 38 Y 0.005498 -0.033682 0.016415 -0.014769 0.011647 442 S 38 Z -0.063090 0.083684 0.008721 0.039088 0.000116 443 S 38 X -0.220190 0.155693 0.208821 -0.017035 0.066095 444 S 38 Y 0.026236 -0.215380 0.066903 -0.070575 0.072336 445 S 38 Z -0.325222 0.435150 0.056231 0.207360 -0.006512 446 S 38 X 0.258263 -0.569099 -0.407198 -0.007991 -0.262225 447 S 38 Y -0.148532 0.034810 0.049097 0.176132 0.024088 448 S 38 Z 0.427804 -0.536350 -0.021182 -0.228737 -0.078299 449 S 38 XX -0.093659 -0.045460 -0.112479 -0.108069 -0.114090 450 S 38 YY -0.072316 -0.043145 -0.071216 -0.032385 0.056538 451 S 38 ZZ 0.165975 0.088605 0.183695 0.140454 0.057551 452 S 38 XY -0.079228 -0.049039 0.026387 -0.029286 0.068781 453 S 38 XZ -0.070026 0.249826 0.095069 0.071213 -0.001771 454 S 38 YZ 0.182715 -0.108696 0.146874 -0.058261 -0.151851 455 S 38 XX -0.015162 -0.002152 -0.009849 -0.013744 -0.011010 456 S 38 YY -0.008746 -0.005808 -0.010799 -0.002485 0.006242 457 S 38 ZZ 0.023908 0.007960 0.020647 0.016229 0.004768 458 S 38 XY -0.011435 -0.006671 0.005616 -0.002992 0.011536 459 S 38 XZ -0.009303 0.033854 0.012774 0.009391 0.000455 460 S 38 YZ 0.025723 -0.014364 0.020305 -0.007618 -0.020775 461 H 39 S 0.030509 -0.152876 -0.099175 0.073432 0.061646 462 H 39 S 0.233572 0.595110 0.179765 -0.050121 0.010628 463 H 39 X -0.005125 -0.039849 -0.027406 0.001460 0.015804 464 H 39 Y 0.002403 0.008560 -0.009221 -0.004479 -0.008041 465 H 39 Z -0.001311 0.011191 0.006821 0.001731 -0.006060 166 167 168 169 170 0.7018 0.7079 0.7248 0.7277 0.7326 A A A A A 1 C 1 S -0.014689 0.011399 0.062386 -0.016925 -0.033598 2 C 1 S -0.096243 -0.083665 0.193565 -0.014669 -0.076261 3 C 1 S -0.083591 -0.125765 0.343735 0.011122 0.477760 4 C 1 X 0.095251 -0.004706 -0.135475 -0.153737 0.162603 5 C 1 Y 0.009103 -0.047520 0.037744 -0.029371 0.066877 6 C 1 Z -0.063274 -0.094563 -0.127979 -0.325636 -0.271167 7 C 1 X 0.276038 1.137841 -0.836910 0.769559 -1.646618 8 C 1 Y -0.324604 0.221444 0.018338 0.402135 -0.419320 9 C 1 Z 0.066267 -0.023999 0.313665 0.382588 0.441819 10 C 1 XX 0.013865 0.072381 -0.038415 -0.010516 0.005251 11 C 1 YY 0.028986 0.059914 0.040959 -0.015764 -0.014713 12 C 1 ZZ -0.042852 -0.132295 -0.002544 0.026280 0.009463 13 C 1 XY 0.027630 0.021966 0.036825 -0.021074 -0.008252 14 C 1 XZ -0.055063 0.018059 -0.027476 0.042882 0.047116 15 C 1 YZ -0.028147 0.040125 0.008986 0.016617 0.045359 16 C 2 S -0.080035 0.011551 0.080093 -0.003470 -0.064081 17 C 2 S -0.103935 0.092140 0.125454 -0.046130 -0.157820 18 C 2 S 0.783318 0.719661 -0.610119 0.657496 -2.237443 19 C 2 X 0.057828 0.221837 -0.093299 0.070905 -0.116203 20 C 2 Y -0.146416 -0.142009 0.202293 -0.040703 0.027893 21 C 2 Z 0.254751 -0.161747 0.184822 -0.036266 -0.022975 22 C 2 X 0.264014 0.628507 -0.754492 0.103659 -0.713643 23 C 2 Y 0.489716 -0.177749 0.064615 0.174831 -0.796980 24 C 2 Z -0.356757 0.100397 -0.249872 -0.061997 -0.019983 25 C 2 XX -0.050147 -0.054422 0.068469 0.012722 -0.038496 26 C 2 YY -0.020523 0.026870 -0.003257 0.032975 -0.047422 27 C 2 ZZ 0.070670 0.027552 -0.065212 -0.045697 0.085918 28 C 2 XY -0.018519 -0.026339 0.002586 0.015249 0.051579 29 C 2 XZ 0.026620 -0.019113 -0.008055 -0.043602 -0.028196 30 C 2 YZ 0.012598 0.007226 0.018916 0.004197 -0.004389 31 C 3 S -0.018290 -0.023332 0.021423 0.035979 -0.013548 32 C 3 S -0.051234 -0.048498 0.031643 0.128355 -0.071117 33 C 3 S -1.049286 -0.356906 0.402820 -0.548946 -0.116621 34 C 3 X 0.143067 0.091103 -0.016695 -0.028333 0.025595 35 C 3 Y 0.167505 0.000369 -0.117818 0.020068 0.111819 36 C 3 Z 0.109959 -0.025245 0.054677 -0.107764 -0.023887 37 C 3 X -0.144394 -0.696768 0.789615 -0.297536 1.391050 38 C 3 Y 0.022240 -0.385574 0.860259 0.083298 -1.802372 39 C 3 Z -0.084126 0.007496 0.018553 0.126980 -0.071960 40 C 3 XX -0.039823 -0.007310 0.006297 -0.034853 -0.001627 41 C 3 YY -0.023037 -0.019154 0.056254 -0.039674 0.020179 42 C 3 ZZ 0.062859 0.026464 -0.062551 0.074528 -0.018552 43 C 3 XY -0.013627 -0.011895 0.017297 -0.012049 -0.024184 44 C 3 XZ 0.017021 -0.034790 0.018643 0.020341 -0.005663 45 C 3 YZ 0.003411 -0.018209 0.004567 0.023288 -0.001441 46 C 4 S -0.000756 -0.030586 -0.005552 0.040339 0.001260 47 C 4 S -0.041459 -0.061567 -0.021902 0.121160 0.038061 48 C 4 S -0.227769 0.548867 -0.528707 -0.262956 0.277255 49 C 4 X 0.026776 -0.056303 -0.058340 0.160749 0.088318 50 C 4 Y 0.083839 0.098528 -0.105983 0.153231 0.026219 51 C 4 Z 0.070509 -0.027984 -0.107646 0.207751 -0.020219 52 C 4 X 0.060367 -0.266134 0.476735 -0.406833 -0.651117 53 C 4 Y -0.677791 -0.713120 0.655935 -0.185516 1.121771 54 C 4 Z 0.110853 -0.158886 0.681134 -0.704249 0.415438 55 C 4 XX 0.025586 -0.010011 0.008425 0.053655 -0.003787 56 C 4 YY 0.010083 0.006672 -0.017272 0.036949 0.037301 57 C 4 ZZ -0.035669 0.003338 0.008847 -0.090605 -0.033514 58 C 4 XY 0.059575 0.013378 -0.045223 0.004445 0.022333 59 C 4 XZ -0.036812 0.037530 -0.028123 -0.024317 0.038302 60 C 4 YZ 0.024639 0.025604 0.016575 0.001026 -0.032448 61 S 5 S 0.020758 0.012676 0.010123 -0.006879 -0.025058 62 S 5 S 0.150704 0.086279 0.075906 -0.055545 -0.173577 63 S 5 S 0.214431 0.090511 0.118056 -0.121321 -0.191126 64 S 5 S -0.386410 -0.719717 0.131713 -0.288370 1.375962 65 S 5 X -0.039313 -0.055722 -0.017778 -0.012956 0.052129 66 S 5 Y -0.021339 -0.066812 -0.003936 0.018037 -0.004896 67 S 5 Z -0.038406 0.008516 0.009319 -0.042587 0.007416 68 S 5 X -0.217152 -0.333166 -0.069235 -0.066149 0.311094 69 S 5 Y -0.092393 -0.351681 -0.031102 0.047048 -0.020149 70 S 5 Z -0.195380 0.038584 0.036995 -0.244397 0.018032 71 S 5 X 0.336379 0.582767 -0.018076 0.253151 -0.833824 72 S 5 Y 0.130415 0.787364 -0.218043 0.163549 -0.288355 73 S 5 Z 0.167034 -0.111310 -0.164584 0.221066 -0.025098 74 S 5 XX 0.027828 -0.086135 0.013255 -0.013575 0.042079 75 S 5 YY 0.051734 0.023069 0.119052 -0.058766 0.065786 76 S 5 ZZ -0.079561 0.063066 -0.132307 0.072341 -0.107865 77 S 5 XY 0.042037 0.028144 -0.042802 -0.162492 0.055572 78 S 5 XZ 0.127728 -0.091815 -0.070815 0.005248 -0.148053 79 S 5 YZ 0.036057 -0.106874 0.033540 -0.252984 -0.229011 80 S 5 XX 0.005460 -0.010681 0.000137 -0.001440 0.005257 81 S 5 YY 0.006633 0.008252 0.015497 -0.004545 0.001393 82 S 5 ZZ -0.012093 0.002428 -0.015634 0.005985 -0.006649 83 S 5 XY 0.006233 0.009374 -0.006339 -0.019955 0.008291 84 S 5 XZ 0.014805 -0.013342 -0.011231 0.001013 -0.017795 85 S 5 YZ 0.004564 -0.014470 0.004646 -0.036829 -0.033079 86 H 6 S -0.243640 -0.163591 0.134784 0.220485 -0.155066 87 H 6 S 0.352129 0.257200 -0.215587 -0.117040 -0.434993 88 H 6 X 0.030594 0.024109 -0.030720 -0.028172 0.008836 89 H 6 Y 0.033603 0.017188 -0.022171 -0.029676 0.014917 90 H 6 Z -0.001744 -0.003463 -0.000282 0.008720 0.008219 91 C 7 S 0.013887 0.040215 0.003109 -0.042171 -0.034944 92 C 7 S 0.033780 0.052381 -0.011497 -0.061383 -0.077719 93 C 7 S 0.076830 -0.423297 0.218875 1.130431 0.823457 94 C 7 X 0.019481 -0.114985 0.002125 -0.130795 0.001023 95 C 7 Y 0.017441 0.060208 0.055117 -0.062872 0.000191 96 C 7 Z -0.210543 0.177392 -0.041654 -0.122423 0.084819 97 C 7 X 0.111859 0.285832 0.879366 0.236989 0.597988 98 C 7 Y 0.181054 0.356546 0.072587 -0.215124 -0.464462 99 C 7 Z 0.223161 -0.213579 -0.066833 0.031197 -0.127019 100 C 7 XX 0.019935 0.017337 0.043144 -0.008297 -0.004918 101 C 7 YY -0.021573 -0.001277 0.009719 0.019500 0.030933 102 C 7 ZZ 0.001638 -0.016060 -0.052863 -0.011203 -0.026015 103 C 7 XY 0.049346 -0.010132 -0.012514 -0.039882 -0.034940 104 C 7 XZ -0.010762 -0.033318 0.013861 -0.002790 -0.011107 105 C 7 YZ 0.055885 -0.038955 0.008098 0.032685 -0.003262 106 C 8 S 0.002503 -0.058313 -0.002927 -0.016564 -0.017441 107 C 8 S -0.051053 -0.104162 0.036301 -0.054323 -0.060021 108 C 8 S -0.421439 0.116736 -0.531181 -0.253470 -0.105999 109 C 8 X -0.028016 0.069670 0.143330 -0.041987 0.020883 110 C 8 Y -0.023417 0.050166 -0.022117 0.081739 -0.009718 111 C 8 Z 0.148198 -0.046083 -0.085223 -0.029583 0.225977 112 C 8 X -0.512084 -0.543775 -0.923615 -0.032278 -0.133803 113 C 8 Y 0.988146 0.157860 0.814668 0.135501 0.492457 114 C 8 Z -0.117772 0.087856 0.111283 0.042194 -0.146870 115 C 8 XX -0.013534 -0.041938 -0.038204 0.002689 0.008687 116 C 8 YY 0.063553 -0.020693 -0.025645 -0.008172 -0.009069 117 C 8 ZZ -0.050019 0.062631 0.063849 0.005483 0.000383 118 C 8 XY 0.003291 -0.052410 -0.041901 0.012428 -0.019484 119 C 8 XZ 0.036753 -0.009396 -0.031704 0.007110 0.017999 120 C 8 YZ -0.012231 0.015108 -0.009578 -0.006647 0.017065 121 C 9 S 0.016130 0.004836 0.025679 -0.027855 -0.006035 122 C 9 S 0.075391 0.041342 0.040095 -0.119371 -0.069193 123 C 9 S 0.233607 0.210397 -0.447774 -0.089275 -1.100952 124 C 9 X 0.132242 -0.079153 0.008107 -0.169079 -0.156444 125 C 9 Y 0.013216 0.101718 0.143162 0.060278 -0.029371 126 C 9 Z 0.039986 -0.021921 0.134816 0.029143 0.043596 127 C 9 X -0.046562 -0.138449 0.233387 0.801450 0.453655 128 C 9 Y -0.687431 -0.078694 -0.811387 -0.110602 -0.183970 129 C 9 Z 0.210121 0.188967 -0.743242 -0.327964 -1.161500 130 C 9 XX -0.006200 -0.042218 -0.035633 -0.013168 -0.015866 131 C 9 YY 0.008648 0.026622 0.000070 -0.054412 -0.021006 132 C 9 ZZ -0.002448 0.015596 0.035564 0.067580 0.036873 133 C 9 XY -0.060892 0.002187 0.011733 0.043066 0.018094 134 C 9 XZ 0.024610 0.000180 0.001007 0.046845 0.019458 135 C 9 YZ -0.011709 -0.026954 0.033828 -0.012569 -0.030221 136 C 10 S -0.000563 0.038837 0.005112 0.009879 0.022616 137 C 10 S 0.020085 0.075887 0.064404 -0.000491 0.067405 138 C 10 S 0.250320 0.522443 1.264648 -0.487924 -0.165893 139 C 10 X 0.041655 0.167644 -0.037716 -0.088061 -0.060228 140 C 10 Y -0.021411 0.014454 0.135489 -0.013899 -0.000043 141 C 10 Z -0.081590 0.013783 -0.153271 -0.048572 -0.079656 142 C 10 X 0.204158 0.022798 0.141553 -0.091383 -0.502955 143 C 10 Y -0.546426 -0.060487 -0.081935 -0.213965 0.634808 144 C 10 Z -0.039107 -0.037115 0.098754 0.068703 0.195512 145 C 10 XX -0.036781 0.032391 0.007080 -0.022795 0.024646 146 C 10 YY 0.010319 0.022347 0.014776 0.012485 -0.011776 147 C 10 ZZ 0.026461 -0.054738 -0.021856 0.010309 -0.012869 148 C 10 XY -0.000659 -0.003114 -0.016979 0.044067 -0.007933 149 C 10 XZ -0.020927 -0.004577 -0.000382 0.001381 0.010643 150 C 10 YZ -0.033044 0.012152 -0.003213 -0.014385 0.002839 151 C 11 S -0.039639 0.001887 -0.003331 -0.019889 -0.012637 152 C 11 S -0.105131 -0.008881 0.031258 -0.074704 0.008018 153 C 11 S -0.283998 -0.902697 0.523336 -0.232204 2.243317 154 C 11 X -0.026945 -0.002796 -0.063330 -0.099026 0.115177 155 C 11 Y 0.010690 0.079164 -0.052117 0.027347 -0.041450 156 C 11 Z 0.212491 0.029846 0.111302 0.013006 0.039963 157 C 11 X 0.448733 0.494439 -0.533117 0.092636 0.772761 158 C 11 Y -0.665126 0.110390 -0.848667 0.006021 0.273448 159 C 11 Z -0.055153 -0.090317 -0.002093 0.005661 0.061345 160 C 11 XX -0.003976 -0.028209 0.009136 0.010612 0.049147 161 C 11 YY -0.021522 -0.006501 -0.006044 -0.010607 -0.005009 162 C 11 ZZ 0.025498 0.034710 -0.003092 -0.000005 -0.044138 163 C 11 XY 0.001921 0.004950 0.027505 -0.045215 0.012607 164 C 11 XZ -0.019158 -0.005846 -0.016795 -0.008804 0.005508 165 C 11 YZ 0.013141 -0.012389 -0.011195 0.015131 -0.008736 166 C 12 S 0.004182 0.020759 0.017716 0.008683 -0.000836 167 C 12 S 0.032534 0.079064 -0.000006 0.025259 -0.020193 168 C 12 S 0.150167 0.085842 -0.471654 0.118381 -0.398741 169 C 12 X -0.067260 0.147096 0.029196 -0.064323 0.040560 170 C 12 Y -0.028188 -0.072945 -0.005750 0.187205 -0.066633 171 C 12 Z -0.064296 -0.012344 -0.072808 -0.039992 0.154595 172 C 12 X 0.569177 -0.194464 -0.164864 0.307524 -0.494867 173 C 12 Y -0.071365 -0.024076 0.199547 -0.127822 0.038865 174 C 12 Z 0.192928 -0.003145 0.248666 0.011330 -0.222902 175 C 12 XX 0.008974 -0.033438 0.001064 0.018318 0.007215 176 C 12 YY -0.016470 0.013401 -0.023200 0.005849 0.016889 177 C 12 ZZ 0.007496 0.020036 0.022137 -0.024167 -0.024104 178 C 12 XY -0.004439 0.017275 0.003055 -0.004722 -0.014406 179 C 12 XZ -0.013840 0.008196 -0.017520 -0.017515 0.008402 180 C 12 YZ 0.002877 -0.025386 0.026909 0.033141 -0.010226 181 C 13 S -0.002582 -0.030669 0.053900 0.001385 -0.010176 182 C 13 S -0.033175 -0.096041 0.139948 0.022481 -0.017975 183 C 13 S -0.266350 0.031659 -0.240045 -0.095684 0.257805 184 C 13 X 0.005384 -0.067627 0.141592 0.027583 -0.005519 185 C 13 Y -0.044842 0.004301 0.021745 -0.020966 0.080864 186 C 13 Z 0.065334 0.037867 -0.164665 0.146436 -0.063794 187 C 13 X -0.274310 -0.099126 0.088632 -0.219262 0.348889 188 C 13 Y 0.536810 -0.124117 0.266410 0.155114 -0.301858 189 C 13 Z -0.091019 -0.220461 0.456842 -0.129374 0.198418 190 C 13 XX -0.024617 -0.008439 0.033156 -0.012308 0.027524 191 C 13 YY 0.004613 0.004488 0.007033 -0.019554 -0.012307 192 C 13 ZZ 0.020004 0.003951 -0.040189 0.031862 -0.015218 193 C 13 XY 0.027758 -0.020079 0.041616 0.017613 -0.040166 194 C 13 XZ 0.014194 0.012212 -0.014797 -0.021652 0.024152 195 C 13 YZ -0.014787 -0.007848 0.003043 -0.011796 -0.006835 196 C 14 S -0.040228 -0.049169 0.039544 0.006879 -0.007953 197 C 14 S -0.089952 -0.091433 0.055803 0.018132 -0.032015 198 C 14 S 0.606442 0.664298 -0.738749 0.235316 -0.219194 199 C 14 X -0.072539 -0.115668 0.060175 0.003101 0.029351 200 C 14 Y 0.106085 0.102304 -0.091910 -0.170096 0.219580 201 C 14 Z 0.235436 -0.157945 0.192937 0.082974 0.095407 202 C 14 X -0.109849 0.570164 -0.776893 0.018004 0.016839 203 C 14 Y 0.355126 0.215032 0.028796 0.208522 -0.592276 204 C 14 Z -0.644664 0.335661 -0.570714 -0.288503 -0.117421 205 C 14 XX 0.001930 0.004278 0.005911 0.007253 -0.035158 206 C 14 YY 0.026065 -0.027591 0.024520 0.040804 0.002756 207 C 14 ZZ -0.027995 0.023313 -0.030430 -0.048057 0.032402 208 C 14 XY -0.018615 0.015854 0.001496 -0.004414 -0.003574 209 C 14 XZ 0.044358 -0.012387 0.046081 0.006027 0.002114 210 C 14 YZ 0.075842 -0.008419 0.017724 0.006241 0.039312 211 F 15 S 0.008271 0.002026 0.006390 0.001986 -0.002745 212 F 15 S 0.021342 0.003084 0.002140 0.011560 -0.003937 213 F 15 S -0.043655 -0.022708 -0.109803 0.023874 0.061141 214 F 15 X -0.022619 0.005892 0.031886 -0.009692 0.020563 215 F 15 Y -0.024291 0.014582 -0.023826 -0.021231 -0.011698 216 F 15 Z -0.010679 -0.002421 -0.031799 0.002049 0.032432 217 F 15 X -0.053597 -0.000858 0.008704 -0.025158 0.039880 218 F 15 Y 0.021124 0.002500 0.007984 0.000934 0.004533 219 F 15 Z -0.003961 0.008472 0.032576 -0.019955 0.003058 220 F 15 XX 0.001322 0.000132 0.003453 -0.000740 -0.001009 221 F 15 YY -0.001274 0.001191 0.001852 -0.001752 -0.003517 222 F 15 ZZ -0.000048 -0.001323 -0.005305 0.002492 0.004526 223 F 15 XY 0.000619 -0.001258 0.001276 0.000954 -0.000407 224 F 15 XZ 0.000158 -0.002168 0.003650 0.000032 -0.001513 225 F 15 YZ 0.000509 0.001668 -0.001254 -0.003785 0.001787 226 F 16 S -0.006503 0.000908 0.004552 -0.004494 0.008261 227 F 16 S -0.005544 -0.001001 0.026710 -0.013831 0.021610 228 F 16 S 0.111644 -0.027659 0.049837 0.052589 -0.068798 229 F 16 X 0.000842 0.008684 0.036558 0.002330 0.017072 230 F 16 Y 0.017811 -0.002759 -0.029833 0.044435 -0.054379 231 F 16 Z -0.003435 0.015284 -0.044006 -0.033844 0.009777 232 F 16 X -0.031065 0.004110 0.034885 -0.028605 0.034024 233 F 16 Y -0.029761 0.012770 -0.053896 0.018903 0.008903 234 F 16 Z 0.014412 0.000282 -0.001387 -0.005570 0.017655 235 F 16 XX -0.002429 0.001270 -0.001562 -0.004987 0.002746 236 F 16 YY 0.003923 -0.000376 0.001493 0.004545 -0.004726 237 F 16 ZZ -0.001494 -0.000895 0.000070 0.000442 0.001980 238 F 16 XY 0.000530 -0.000842 0.000357 -0.002280 0.003436 239 F 16 XZ 0.001918 0.000429 0.000347 0.003109 -0.002428 240 F 16 YZ -0.000729 0.003440 -0.002690 -0.005884 0.002266 241 F 17 S 0.004472 -0.007546 0.007325 0.000371 0.010766 242 F 17 S -0.005516 -0.010211 0.011043 -0.011779 0.011609 243 F 17 S -0.160641 0.099685 -0.096215 -0.055362 -0.191546 244 F 17 X -0.066058 -0.033208 0.018407 -0.002956 0.011805 245 F 17 Y 0.042948 -0.014616 0.019103 -0.022724 0.053460 246 F 17 Z 0.083855 0.006447 0.018265 -0.006449 0.039884 247 F 17 X -0.000519 -0.042486 0.055779 -0.008884 0.005765 248 F 17 Y -0.078865 0.017441 -0.040912 -0.053017 -0.003398 249 F 17 Z 0.018928 0.003048 0.026151 -0.011416 -0.032062 250 F 17 XX 0.008954 -0.000851 0.003342 -0.000930 0.006466 251 F 17 YY -0.005916 0.003931 -0.004769 -0.002178 -0.003990 252 F 17 ZZ -0.003038 -0.003080 0.001427 0.003109 -0.002476 253 F 17 XY -0.002043 -0.000989 0.000139 0.000621 -0.001734 254 F 17 XZ -0.002183 0.000807 -0.003101 0.000691 -0.001345 255 F 17 YZ -0.010106 0.000095 -0.000996 0.001994 -0.010516 256 F 18 S -0.013547 0.007691 -0.012960 -0.007736 -0.000252 257 F 18 S 0.000813 0.015381 -0.013363 -0.003762 -0.004060 258 F 18 S 0.273217 -0.103383 0.220216 0.144426 -0.014033 259 F 18 X -0.017216 -0.031725 0.045940 -0.009481 0.010275 260 F 18 Y -0.026749 0.009605 -0.031201 -0.007416 0.025104 261 F 18 Z 0.048258 -0.053887 0.060281 0.043646 0.006891 262 F 18 X 0.041178 -0.046293 0.084614 0.013147 0.012395 263 F 18 Y 0.029686 -0.030014 0.027227 0.023685 0.039124 264 F 18 Z -0.072496 -0.004105 -0.035166 -0.028811 0.019404 265 F 18 XX -0.004011 0.002618 -0.003434 -0.002907 0.000844 266 F 18 YY -0.001964 0.002954 -0.003745 -0.004262 0.002201 267 F 18 ZZ 0.005975 -0.005572 0.007180 0.007169 -0.003045 268 F 18 XY 0.002501 -0.002390 0.002289 0.000890 0.000209 269 F 18 XZ -0.004508 0.003556 -0.003301 -0.003849 0.000678 270 F 18 YZ -0.008344 0.001896 -0.004202 -0.001462 -0.001859 271 C 19 S 0.031782 -0.032143 -0.034727 0.008856 0.009546 272 C 19 S 0.082834 -0.090945 -0.103320 0.027193 0.027652 273 C 19 S -0.332552 0.092285 0.004388 -0.009181 -0.188501 274 C 19 X -0.154853 -0.024086 -0.007285 -0.008311 0.010900 275 C 19 Y -0.063299 0.227078 0.270037 0.003265 0.015952 276 C 19 Z -0.052533 0.087179 0.044002 0.009368 -0.001502 277 C 19 X 0.632586 0.386568 0.573965 0.119718 0.200082 278 C 19 Y -0.062437 -0.546235 -0.681168 0.072164 -0.016650 279 C 19 Z 0.164758 -0.246263 -0.034007 -0.021429 -0.112961 280 C 19 XX 0.047573 0.000537 0.008056 -0.006685 -0.006732 281 C 19 YY -0.041960 -0.017652 -0.015462 0.006321 -0.004845 282 C 19 ZZ -0.005612 0.017115 0.007406 0.000364 0.011577 283 C 19 XY -0.008781 0.044476 0.052293 0.007923 0.015489 284 C 19 XZ 0.013375 -0.021357 0.010175 -0.001158 -0.030858 285 C 19 YZ -0.033507 0.016167 0.001346 0.002318 0.002691 286 H 20 S -0.014809 -0.136354 -0.111386 -0.067390 -0.062082 287 H 20 S -0.354788 -0.106967 -0.278261 -0.062385 -0.065497 288 H 20 X 0.034611 0.025048 0.032217 -0.009733 -0.008183 289 H 20 Y 0.009106 0.035824 0.046594 -0.006536 0.012603 290 H 20 Z 0.010639 -0.010139 0.010703 -0.002661 -0.018144 291 H 21 S 0.057617 0.017406 0.119573 -0.030898 -0.078176 292 H 21 S 0.099673 0.135791 0.181859 -0.008515 -0.000284 293 H 21 X -0.016617 0.028114 0.013377 0.005758 0.012141 294 H 21 Y -0.027396 -0.017930 -0.023647 0.001573 -0.021921 295 H 21 Z -0.004471 -0.004423 -0.003029 0.007659 -0.004784 296 C 22 S 0.018118 0.040815 -0.019021 0.007420 -0.017241 297 C 22 S 0.051139 0.114235 -0.047729 0.025801 -0.047967 298 C 22 S -0.242679 -0.234966 0.228304 -0.022255 0.211066 299 C 22 X -0.044012 -0.072022 -0.102898 0.097889 -0.131924 300 C 22 Y 0.060326 0.194991 -0.105004 0.032910 -0.038998 301 C 22 Z 0.023150 -0.002009 -0.000863 0.052693 0.017636 302 C 22 X 0.101094 -0.162048 0.416192 -0.653818 0.953324 303 C 22 Y -0.191788 -0.470215 0.471650 -0.262725 0.496473 304 C 22 Z 0.063605 0.017734 0.044257 -0.131751 -0.081564 305 C 22 XX 0.004926 0.016812 0.023315 -0.051348 0.062467 306 C 22 YY -0.005835 -0.008086 -0.044626 0.003679 -0.010331 307 C 22 ZZ 0.000909 -0.008725 0.021312 0.047669 -0.052136 308 C 22 XY 0.017650 0.033357 -0.050288 -0.026854 0.010991 309 C 22 XZ -0.034158 0.019138 -0.029261 0.035908 0.014143 310 C 22 YZ -0.003402 -0.014687 -0.017726 -0.016063 -0.015000 311 H 23 S 0.002879 -0.005984 -0.000226 -0.240812 0.255551 312 H 23 S -0.058224 -0.273605 0.454588 -0.047676 0.259637 313 H 23 X -0.007028 -0.012166 0.015877 0.035317 -0.040974 314 H 23 Y 0.007230 -0.006095 0.042538 -0.024456 0.039678 315 H 23 Z 0.013866 -0.000257 0.016154 -0.008464 0.005616 316 H 24 S -0.117379 -0.009132 -0.052545 0.137761 -0.118455 317 H 24 S 0.030486 0.041107 -0.146398 -0.042004 -0.208751 318 H 24 X -0.013964 0.002395 0.007422 -0.039866 0.041083 319 H 24 Y 0.006417 0.008487 -0.016429 0.023786 0.003033 320 H 24 Z -0.006444 0.008896 0.015213 0.021344 -0.012804 321 H 25 S 0.081565 -0.049508 0.110858 0.060659 -0.125168 322 H 25 S -0.027524 0.172305 -0.220590 0.178217 -0.093424 323 H 25 X 0.017257 -0.008310 0.032865 -0.033637 0.050064 324 H 25 Y -0.003176 0.011506 -0.017399 -0.017331 -0.022359 325 H 25 Z -0.005900 0.003803 -0.019952 -0.014239 0.018059 326 C 26 S 0.014479 0.014123 0.042447 0.030964 0.017640 327 C 26 S 0.042219 0.017570 0.078649 0.087241 0.047127 328 C 26 S -0.045766 -0.028013 -0.600236 -0.272985 -0.493880 329 C 26 X -0.099127 0.013962 0.022633 -0.001809 -0.088750 330 C 26 Y -0.144293 0.031262 0.039587 -0.012726 0.055049 331 C 26 Z -0.051977 -0.037247 0.148146 0.131081 0.015722 332 C 26 X -0.013523 0.028123 -0.113694 -0.090298 0.081774 333 C 26 Y 0.401880 -0.143102 -0.008631 -0.011019 -0.327137 334 C 26 Z 0.101637 0.029723 -0.340775 -0.352748 -0.352310 335 C 26 XX 0.006310 -0.012403 0.023220 0.015192 0.020323 336 C 26 YY -0.023961 0.004836 0.030044 0.005744 0.009990 337 C 26 ZZ 0.017650 0.007567 -0.053264 -0.020936 -0.030314 338 C 26 XY -0.009618 -0.028050 -0.018583 -0.033446 -0.059333 339 C 26 XZ -0.007528 -0.005763 -0.004339 -0.033990 -0.025206 340 C 26 YZ -0.006575 0.006258 -0.030335 -0.007613 0.028622 341 H 27 S 0.063806 -0.078380 -0.013946 -0.128101 -0.141679 342 H 27 S -0.092296 0.098954 0.044973 0.111671 0.090535 343 H 27 X 0.021092 0.000193 -0.016494 0.018196 0.025521 344 H 27 Y 0.022408 0.004421 -0.009700 0.014989 0.021765 345 H 27 Z 0.028591 -0.000359 0.021494 0.010976 -0.011900 346 H 28 S -0.053463 0.072866 0.124370 -0.024971 0.003195 347 H 28 S -0.025581 0.068254 -0.096010 -0.013583 0.076726 348 H 28 X 0.005298 -0.012403 -0.011014 -0.005802 -0.023926 349 H 28 Y -0.002413 -0.007879 0.017013 -0.004508 -0.014338 350 H 28 Z -0.024584 0.003681 -0.007529 -0.005763 0.034738 351 H 29 S 0.030796 0.080933 0.096028 -0.023026 0.044043 352 H 29 S 0.213982 -0.192715 0.000773 -0.097276 -0.341090 353 H 29 X 0.002115 0.005345 0.020657 0.004701 0.022637 354 H 29 Y 0.012474 -0.018803 -0.008316 -0.013597 -0.041535 355 H 29 Z -0.015302 0.007092 0.016552 0.015284 0.002609 356 C 30 S -0.002533 0.015041 0.020461 -0.058548 -0.020657 357 C 30 S -0.013156 0.067887 0.022814 -0.137797 -0.081219 358 C 30 S 0.047861 0.069157 -0.528975 0.727554 -0.289471 359 C 30 X 0.018705 -0.010529 -0.044696 0.037672 0.095215 360 C 30 Y 0.015600 -0.005180 0.012297 -0.002720 -0.039086 361 C 30 Z -0.001500 -0.043642 -0.081554 0.264648 0.126695 362 C 30 X -0.128907 0.171576 0.037537 0.008278 -0.033753 363 C 30 Y 0.053104 0.112520 -0.095400 -0.129099 -0.139876 364 C 30 Z -0.056051 -0.023333 0.190003 -0.494364 0.072971 365 C 30 XX -0.008444 -0.011807 0.079919 -0.019299 -0.001957 366 C 30 YY -0.000357 -0.003887 -0.018648 -0.064223 0.009593 367 C 30 ZZ 0.008801 0.015694 -0.061270 0.083522 -0.007636 368 C 30 XY 0.001512 -0.024888 0.017826 0.004861 -0.041932 369 C 30 XZ 0.006510 -0.023629 0.018683 0.012196 -0.041276 370 C 30 YZ -0.011952 -0.010537 0.003704 0.037836 0.012671 371 H 31 S 0.014757 -0.049678 -0.046683 -0.106923 0.061766 372 H 31 S 0.005493 0.028300 0.201266 -0.012333 -0.192848 373 H 31 X 0.009667 0.002272 0.000992 0.009162 0.012045 374 H 31 Y -0.009734 0.005953 -0.000047 0.029813 -0.004607 375 H 31 Z 0.004376 -0.007783 0.009495 -0.008441 -0.020572 376 H 32 S 0.015244 0.026605 0.131706 0.006917 0.149512 377 H 32 S -0.107147 0.074069 -0.065644 -0.023227 -0.076953 378 H 32 X 0.001124 0.020628 -0.034720 -0.005775 -0.039004 379 H 32 Y 0.012911 -0.001151 -0.020276 -0.009840 0.029210 380 H 32 Z -0.000844 0.020959 -0.022171 0.012993 0.024121 381 H 33 S 0.014380 -0.172648 0.182327 0.050220 0.041369 382 H 33 S 0.095658 0.015974 -0.139531 -0.029705 0.102784 383 H 33 X -0.000652 -0.018642 0.048078 -0.001809 -0.004972 384 H 33 Y -0.008316 -0.020174 0.000052 -0.016023 -0.006104 385 H 33 Z 0.003257 -0.013310 -0.002372 0.037406 -0.007959 386 H 34 S -0.065276 0.187499 0.082506 -0.006595 0.107987 387 H 34 S 0.213380 0.050908 0.136206 -0.023070 0.045924 388 H 34 X 0.002931 -0.000013 0.011206 0.000418 0.001629 389 H 34 Y -0.019904 -0.029457 -0.035993 -0.001223 0.004666 390 H 34 Z -0.004247 -0.006475 -0.004375 -0.008151 0.003070 391 F 35 S 0.004741 0.000373 0.000912 0.001861 -0.002013 392 F 35 S 0.017206 -0.002190 0.005651 -0.004018 0.002961 393 F 35 S -0.012810 -0.016192 0.000245 -0.056662 0.059158 394 F 35 X 0.019530 0.006449 0.016203 -0.008292 0.000613 395 F 35 Y -0.002228 -0.030398 0.011362 0.004554 -0.003919 396 F 35 Z 0.027053 0.011783 -0.039942 0.013165 -0.007619 397 F 35 X 0.035062 0.001708 -0.002018 -0.017363 0.000733 398 F 35 Y -0.038283 -0.004921 -0.004816 -0.011436 0.011992 399 F 35 Z 0.013897 0.032958 -0.064093 0.023015 -0.032446 400 F 35 XX 0.001135 0.000217 -0.004923 0.002683 -0.001901 401 F 35 YY -0.001040 -0.000988 0.004291 -0.001407 0.002451 402 F 35 ZZ -0.000096 0.000771 0.000632 -0.001276 -0.000551 403 F 35 XY -0.001001 0.001671 -0.001752 -0.000549 0.002135 404 F 35 XZ -0.000884 -0.000435 0.002048 0.001619 -0.001015 405 F 35 YZ -0.000216 -0.000661 0.001425 0.000302 0.000151 406 F 36 S 0.001538 0.005262 -0.011568 0.004828 -0.003494 407 F 36 S -0.004894 0.008689 -0.009875 0.003419 -0.006070 408 F 36 S -0.057684 -0.081913 0.220603 -0.081613 0.054523 409 F 36 X 0.001665 0.019435 -0.017185 -0.002530 -0.010031 410 F 36 Y 0.015971 -0.018905 0.039410 0.010078 0.010637 411 F 36 Z 0.033075 0.027092 -0.065258 0.037301 -0.015594 412 F 36 X 0.013440 0.024320 -0.025670 0.004542 -0.029789 413 F 36 Y -0.021068 -0.001954 -0.004002 -0.002101 0.005251 414 F 36 Z -0.015930 -0.007307 0.047187 -0.021077 -0.003903 415 F 36 XX 0.003042 0.002233 -0.006305 0.003784 -0.003127 416 F 36 YY 0.002992 0.001445 -0.004829 0.002666 -0.000009 417 F 36 ZZ -0.006034 -0.003678 0.011134 -0.006450 0.003136 418 F 36 XY -0.002567 0.000128 -0.002559 -0.000900 -0.000030 419 F 36 XZ -0.000439 -0.002373 0.003395 0.000923 -0.000271 420 F 36 YZ -0.000109 0.001665 -0.002996 0.000428 0.001023 421 C 37 S -0.005123 -0.011606 0.029585 0.008225 -0.010994 422 C 37 S 0.014215 -0.020775 0.050897 0.073609 0.039262 423 C 37 S 1.200975 0.397898 1.132782 -0.037688 0.555482 424 C 37 X 0.046588 0.062074 -0.043575 -0.021070 0.000001 425 C 37 Y 0.211658 0.041929 0.043204 -0.102091 0.008227 426 C 37 Z 0.029981 -0.028461 0.008644 -0.061881 -0.091033 427 C 37 X -0.321596 0.141847 -0.255014 -0.192344 -0.576108 428 C 37 Y 0.480712 -0.075145 0.379263 0.530551 0.043908 429 C 37 Z 0.040937 -0.019261 0.051462 0.146894 0.250168 430 C 37 XX 0.040389 0.002871 0.031821 -0.020809 -0.054473 431 C 37 YY -0.015402 0.002523 0.041503 -0.020028 0.001007 432 C 37 ZZ -0.024987 -0.005394 -0.073324 0.040837 0.053466 433 C 37 XY 0.044426 0.031981 0.023205 -0.005390 0.000573 434 C 37 XZ -0.005635 0.017068 -0.011241 -0.019093 -0.007491 435 C 37 YZ 0.033582 -0.013858 -0.013977 -0.029303 0.002760 436 S 38 S 0.008854 -0.009685 -0.004056 0.003998 0.008527 437 S 38 S 0.063480 -0.075333 -0.034259 0.027435 0.060543 438 S 38 S 0.085303 -0.139658 -0.076624 0.029704 0.076775 439 S 38 S -0.408984 -0.277608 -0.424442 -0.123685 -0.136955 440 S 38 X 0.002535 -0.012844 -0.020553 0.009526 0.021896 441 S 38 Y 0.013546 0.000277 -0.022807 -0.028779 -0.027860 442 S 38 Z -0.004868 -0.049685 -0.021899 -0.032844 0.013555 443 S 38 X 0.012857 -0.053831 -0.095578 0.046987 0.119285 444 S 38 Y 0.063158 -0.007493 -0.145122 -0.159374 -0.147397 445 S 38 Z -0.031978 -0.258491 -0.123095 -0.178752 0.075174 446 S 38 X -0.259433 -0.216464 -0.364005 -0.096331 -0.318261 447 S 38 Y -0.131978 0.074038 0.090484 0.267371 0.094379 448 S 38 Z -0.015613 0.304586 0.081095 0.159445 -0.019753 449 S 38 XX -0.004392 -0.110879 -0.152712 -0.000137 -0.006651 450 S 38 YY 0.025742 -0.008406 0.001002 -0.037288 0.012875 451 S 38 ZZ -0.021351 0.119285 0.151710 0.037425 -0.006224 452 S 38 XY -0.026062 0.026660 0.041254 -0.014146 0.065834 453 S 38 XZ -0.179286 0.020943 0.088803 -0.038196 -0.118778 454 S 38 YZ -0.203281 0.150364 -0.015136 -0.109654 0.037824 455 S 38 XX 0.002342 -0.012132 -0.017727 -0.001289 0.000504 456 S 38 YY 0.001491 -0.001443 0.000470 -0.001508 0.002708 457 S 38 ZZ -0.003833 0.013575 0.017257 0.002797 -0.003212 458 S 38 XY -0.000985 0.002706 0.005284 -0.003063 0.007645 459 S 38 XZ -0.023614 0.003586 0.012624 -0.004778 -0.016546 460 S 38 YZ -0.027991 0.021225 -0.001661 -0.014465 0.005941 461 H 39 S 0.057736 0.003734 0.090441 -0.080769 -0.152817 462 H 39 S 0.024548 -0.297338 0.029585 0.237790 0.508789 463 H 39 X 0.013796 -0.012881 0.024041 -0.028187 -0.038892 464 H 39 Y 0.019320 -0.004695 -0.013121 0.000591 0.001411 465 H 39 Z -0.009617 0.005799 -0.000119 -0.009223 -0.005760 171 172 173 174 175 0.7374 0.7387 0.7549 0.7571 0.7683 A A A A A 1 C 1 S 0.048107 0.069701 -0.024977 0.016991 -0.008913 2 C 1 S 0.053865 0.146442 -0.053208 0.055859 -0.028191 3 C 1 S 0.089463 0.126729 0.081512 -0.264317 -0.123341 4 C 1 X 0.109137 -0.021821 -0.025315 0.116108 0.108162 5 C 1 Y 0.186257 0.027257 -0.046677 0.006941 0.125107 6 C 1 Z 0.020471 0.127422 0.218374 0.117004 -0.084924 7 C 1 X -0.695664 0.063302 -0.033601 -0.242337 -0.253594 8 C 1 Y -0.797955 0.526654 -0.075579 0.126458 -0.417442 9 C 1 Z -0.007148 -0.129106 -0.328722 -0.264595 0.112397 10 C 1 XX 0.008193 0.079260 -0.015501 0.014771 -0.013199 11 C 1 YY 0.078759 0.007262 -0.006697 -0.019621 0.002470 12 C 1 ZZ -0.086951 -0.086522 0.022198 0.004850 0.010729 13 C 1 XY -0.016502 0.005743 0.001327 0.000208 -0.034599 14 C 1 XZ 0.014740 -0.044686 0.006588 0.043894 -0.007650 15 C 1 YZ -0.010205 -0.012455 -0.009736 0.005165 0.049781 16 C 2 S 0.010190 0.065884 -0.002303 0.012252 -0.050033 17 C 2 S 0.074345 0.082599 0.025635 0.051625 -0.109833 18 C 2 S -0.897991 -1.323143 -0.150928 0.060474 -0.323940 19 C 2 X -0.070470 0.232102 -0.079715 -0.068928 -0.014126 20 C 2 Y 0.040679 -0.056928 0.041020 0.060944 -0.038517 21 C 2 Z -0.234450 0.046457 -0.088297 -0.287867 0.236625 22 C 2 X 0.087409 -0.241658 0.051058 0.151302 0.253315 23 C 2 Y 0.021658 -1.137471 0.250675 0.011629 -0.112583 24 C 2 Z 0.321974 -0.013710 0.196684 0.508752 -0.371050 25 C 2 XX -0.004979 -0.008653 0.018463 -0.017867 -0.020368 26 C 2 YY -0.072289 0.081023 -0.053420 0.012812 -0.029824 27 C 2 ZZ 0.077268 -0.072370 0.034957 0.005055 0.050192 28 C 2 XY 0.007145 0.028907 -0.016626 0.013696 0.047557 29 C 2 XZ -0.000782 0.018334 0.016461 -0.010711 -0.012026 30 C 2 YZ -0.017069 -0.001130 -0.019668 -0.018328 0.030548 31 C 3 S -0.041175 -0.020941 0.019634 0.031134 -0.010010 32 C 3 S -0.105089 -0.023913 0.015163 0.077970 0.001680 33 C 3 S 0.406019 0.132030 -0.342357 0.036775 -0.135899 34 C 3 X -0.124814 0.105539 -0.065789 0.097255 0.044149 35 C 3 Y 0.118748 -0.220257 0.154129 0.074322 0.134815 36 C 3 Z -0.008342 0.033239 -0.029667 0.012566 0.094841 37 C 3 X 0.311549 -0.230592 0.292619 -0.624569 -0.620096 38 C 3 Y -0.454504 -1.841926 -0.201367 0.084419 -0.729489 39 C 3 Z -0.005009 -0.251659 0.051298 -0.112167 -0.155988 40 C 3 XX -0.032379 0.030443 0.000597 -0.001196 -0.032576 41 C 3 YY 0.050015 -0.050696 0.021129 0.005275 -0.002652 42 C 3 ZZ -0.017636 0.020253 -0.021726 -0.004079 0.035228 43 C 3 XY 0.030125 -0.042937 0.030527 -0.039309 -0.032237 44 C 3 XZ 0.008915 0.029187 -0.006788 -0.058474 -0.030822 45 C 3 YZ 0.030996 0.004614 -0.003375 0.019666 -0.072449 46 C 4 S 0.045173 -0.051974 0.009292 -0.058370 0.005978 47 C 4 S 0.143511 -0.084000 0.002308 -0.162744 0.014813 48 C 4 S -0.092947 1.436537 -0.133770 0.597985 -0.108573 49 C 4 X -0.066863 0.138235 -0.106244 0.123826 0.192979 50 C 4 Y -0.046650 -0.175975 -0.083604 -0.005626 0.134004 51 C 4 Z 0.074801 0.082776 -0.053703 0.031380 -0.138242 52 C 4 X 0.075895 -1.116463 0.091741 -0.282794 -0.709076 53 C 4 Y 0.609653 0.588898 0.154306 -0.090484 -0.593132 54 C 4 Z -0.475453 -0.511464 0.467356 -0.209937 0.378785 55 C 4 XX 0.018570 0.003495 -0.011917 0.016263 0.053541 56 C 4 YY 0.001346 0.045138 -0.003632 0.000041 -0.052558 57 C 4 ZZ -0.019915 -0.048633 0.015550 -0.016303 -0.000983 58 C 4 XY 0.001923 -0.028699 -0.004567 -0.007047 0.039049 59 C 4 XZ 0.007842 -0.004157 0.014745 0.000659 0.006776 60 C 4 YZ -0.046894 -0.055572 0.018547 0.040768 0.084719 61 S 5 S 0.011107 0.015324 -0.007034 0.008429 -0.007247 62 S 5 S 0.087317 0.113347 -0.051915 0.062588 -0.048837 63 S 5 S 0.161562 0.167892 -0.077252 0.094308 -0.051604 64 S 5 S 0.433239 -0.106841 0.139319 -0.053241 0.506150 65 S 5 X 0.005579 0.006742 -0.000107 -0.005724 0.028098 66 S 5 Y -0.033900 -0.017237 -0.004583 0.024660 0.015243 67 S 5 Z -0.034570 0.008011 0.028277 0.012272 0.017721 68 S 5 X 0.066540 0.058531 -0.003274 -0.018039 0.177242 69 S 5 Y -0.154557 -0.099737 -0.041302 0.138046 0.078853 70 S 5 Z -0.189630 0.036333 0.157928 0.072590 0.076987 71 S 5 X -0.296695 -0.085152 -0.055589 0.076140 -0.350612 72 S 5 Y -0.175807 0.408970 -0.015544 -0.210008 -0.143802 73 S 5 Z 0.264795 0.119495 -0.109135 0.017968 -0.146999 74 S 5 XX 0.067547 0.022444 -0.017313 0.069279 0.043061 75 S 5 YY 0.088665 0.106893 -0.014678 0.038534 -0.008018 76 S 5 ZZ -0.156212 -0.129336 0.031992 -0.107812 -0.035043 77 S 5 XY 0.126543 -0.031123 -0.036002 -0.029904 0.005811 78 S 5 XZ -0.056880 -0.081670 0.083212 -0.038624 -0.188612 79 S 5 YZ 0.112160 0.178022 0.050589 -0.012471 -0.113966 80 S 5 XX 0.008208 0.001342 -0.003286 0.011163 0.006581 81 S 5 YY 0.009938 0.016524 -0.001231 0.003234 -0.006412 82 S 5 ZZ -0.018146 -0.017866 0.004517 -0.014397 -0.000169 83 S 5 XY 0.014527 -0.000054 -0.004522 -0.006208 0.000559 84 S 5 XZ -0.004511 -0.006743 0.011060 -0.004046 -0.025578 85 S 5 YZ 0.013395 0.021680 0.008819 -0.001002 -0.015970 86 H 6 S -0.186056 0.103616 -0.055730 -0.033944 -0.043562 87 H 6 S 0.386931 -0.622859 0.303191 -0.012959 0.027667 88 H 6 X 0.037628 -0.032472 0.010901 0.004863 0.005057 89 H 6 Y 0.026434 -0.038782 0.026185 0.009503 -0.002224 90 H 6 Z -0.003320 0.004798 -0.000443 0.004014 -0.001568 91 C 7 S 0.021582 -0.040287 -0.000697 -0.003072 -0.007461 92 C 7 S 0.071926 -0.058500 0.010356 0.015304 -0.002928 93 C 7 S -0.668890 0.680361 0.339072 0.262042 -0.089613 94 C 7 X 0.084330 -0.012824 -0.089668 -0.098389 0.036982 95 C 7 Y -0.067042 -0.049454 -0.111580 -0.054150 -0.081799 96 C 7 Z -0.199897 -0.073551 0.011347 -0.243981 0.076542 97 C 7 X -0.057587 0.195660 1.185264 -0.009444 -0.127568 98 C 7 Y 0.281406 -0.709348 0.448383 0.172230 0.650183 99 C 7 Z 0.273650 0.041176 -0.189651 0.274850 -0.135837 100 C 7 XX -0.000420 -0.033522 -0.013520 -0.038666 -0.014527 101 C 7 YY -0.028305 0.023907 0.036387 0.038716 0.004217 102 C 7 ZZ 0.028725 0.009615 -0.022867 -0.000050 0.010310 103 C 7 XY 0.023434 -0.019895 -0.044698 -0.037168 0.003340 104 C 7 XZ 0.035275 0.045625 -0.030864 -0.002567 -0.001599 105 C 7 YZ 0.013472 -0.011842 0.033493 -0.010461 -0.009647 106 C 8 S 0.010595 -0.021605 0.021478 0.019663 0.029979 107 C 8 S 0.016566 -0.083625 -0.009511 0.086814 0.095121 108 C 8 S -0.161592 -0.313880 -0.481187 0.084433 0.379750 109 C 8 X -0.039533 -0.050884 0.002040 0.080337 0.051324 110 C 8 Y 0.062066 0.050613 -0.033668 -0.125412 -0.075996 111 C 8 Z -0.195576 0.113409 0.222892 0.064592 -0.143657 112 C 8 X 0.349550 -0.183755 -0.662822 -0.504958 -0.043159 113 C 8 Y -0.105398 0.466914 1.241507 0.110917 -0.373843 114 C 8 Z 0.225576 -0.057865 -0.097122 -0.024381 0.067970 115 C 8 XX 0.006775 -0.012021 0.025201 -0.032634 0.022570 116 C 8 YY -0.006083 0.012131 0.020141 -0.000488 -0.004131 117 C 8 ZZ -0.000692 -0.000109 -0.045342 0.033122 -0.018439 118 C 8 XY 0.009038 0.029938 -0.032299 0.019742 0.007029 119 C 8 XZ -0.028089 0.011916 0.051707 0.024207 -0.008095 120 C 8 YZ -0.002847 -0.004552 0.015561 -0.034433 -0.026047 121 C 9 S -0.026708 0.024647 0.034184 -0.000040 -0.032488 122 C 9 S -0.107673 0.039057 0.071942 0.008216 -0.080613 123 C 9 S 0.066903 -0.737260 -0.762681 0.177555 0.563268 124 C 9 X 0.106662 0.011044 -0.055733 0.104420 0.007227 125 C 9 Y 0.004865 -0.236753 0.049666 0.058455 0.177564 126 C 9 Z 0.083506 -0.016701 0.088122 0.080587 -0.174254 127 C 9 X -0.285835 0.792376 0.521756 -0.018236 -0.108485 128 C 9 Y 0.355160 0.993472 -0.853803 0.115319 -0.630465 129 C 9 Z -0.526393 -0.477316 -0.401813 -0.033654 0.844939 130 C 9 XX 0.024018 0.061950 0.000214 0.011745 -0.007937 131 C 9 YY -0.020832 -0.026983 -0.036599 -0.044998 0.025640 132 C 9 ZZ -0.003186 -0.034967 0.036384 0.033253 -0.017703 133 C 9 XY -0.010473 0.036061 0.009314 0.003759 -0.019586 134 C 9 XZ 0.000362 -0.003862 -0.017140 0.004653 0.015370 135 C 9 YZ 0.052357 0.058775 -0.022753 0.030405 -0.029192 136 C 10 S 0.009125 -0.033974 0.052369 -0.036345 -0.048211 137 C 10 S 0.027775 -0.151326 0.125334 -0.092001 -0.117838 138 C 10 S -0.323229 -1.334503 0.246961 0.396924 -0.394877 139 C 10 X -0.045539 -0.134341 -0.114354 -0.106712 -0.058163 140 C 10 Y -0.030563 0.166469 0.030140 0.060910 -0.016428 141 C 10 Z 0.018606 -0.170949 0.039067 0.193447 -0.115405 142 C 10 X 0.721462 -0.915669 0.589813 -0.184392 0.621376 143 C 10 Y 0.001797 1.417525 0.508812 -0.135548 -0.118816 144 C 10 Z -0.140884 0.295823 -0.133176 -0.029332 -0.050340 145 C 10 XX -0.033295 -0.007651 -0.029268 0.025083 -0.032301 146 C 10 YY 0.007181 0.021640 0.048990 -0.036874 -0.021629 147 C 10 ZZ 0.026115 -0.013989 -0.019722 0.011790 0.053930 148 C 10 XY 0.037839 -0.019023 0.051204 0.019325 0.028603 149 C 10 XZ -0.017996 0.009046 -0.015177 -0.035821 0.039530 150 C 10 YZ 0.002964 -0.015204 0.012720 -0.007978 0.006864 151 C 11 S 0.028776 -0.086066 0.067360 -0.001129 -0.069793 152 C 11 S 0.057708 -0.144599 0.170257 0.010145 -0.195880 153 C 11 S 0.036777 0.814185 -0.055536 -0.356690 -0.481611 154 C 11 X -0.091317 0.052965 -0.028957 -0.064823 -0.043529 155 C 11 Y -0.015140 0.177031 0.007715 -0.106150 -0.042425 156 C 11 Z -0.052458 -0.141088 -0.104878 -0.027001 -0.082250 157 C 11 X 0.139315 1.417673 0.467448 -0.395701 0.192300 158 C 11 Y -0.033416 2.050616 0.100221 0.317708 0.375600 159 C 11 Z 0.041939 0.183077 -0.016749 -0.053141 0.018152 160 C 11 XX 0.000286 -0.049602 0.001715 0.004614 -0.034037 161 C 11 YY 0.016675 -0.032977 0.011363 -0.036846 -0.016761 162 C 11 ZZ -0.016961 0.082579 -0.013077 0.032232 0.050799 163 C 11 XY -0.029666 -0.018697 -0.051313 0.000533 -0.030250 164 C 11 XZ 0.001909 0.007876 0.004326 0.022224 0.021085 165 C 11 YZ -0.004667 -0.006651 -0.000894 -0.012898 -0.005924 166 C 12 S -0.018530 -0.036163 0.032945 0.029750 -0.049785 167 C 12 S -0.040768 -0.087398 0.074901 0.035663 -0.091723 168 C 12 S 0.637705 0.179460 0.587106 -0.614738 0.816577 169 C 12 X -0.141004 0.054222 -0.094982 0.049902 -0.135905 170 C 12 Y 0.053582 0.069567 0.317149 0.012336 0.255938 171 C 12 Z -0.085376 -0.066440 -0.069158 0.138731 -0.170065 172 C 12 X 0.695101 -0.966738 0.295273 -0.520885 0.577257 173 C 12 Y -0.234280 -0.830338 -0.923211 0.431853 -0.559183 174 C 12 Z 0.059290 -0.117604 -0.132806 -0.096918 0.356245 175 C 12 XX 0.021309 0.007582 0.044980 0.021256 0.012123 176 C 12 YY -0.000588 -0.004159 -0.002678 0.010204 -0.027732 177 C 12 ZZ -0.020720 -0.003423 -0.042302 -0.031460 0.015609 178 C 12 XY -0.005853 0.039157 -0.008936 -0.011210 -0.003468 179 C 12 XZ -0.006231 -0.019664 -0.002899 0.022265 -0.038629 180 C 12 YZ 0.021299 0.020804 0.072523 -0.036858 0.042485 181 C 13 S -0.016315 -0.019761 0.011776 -0.015075 -0.029957 182 C 13 S -0.046232 -0.054310 0.030340 -0.002986 -0.062402 183 C 13 S -0.292110 -0.089734 -0.670398 0.555965 -0.181272 184 C 13 X 0.125084 0.047893 0.269146 -0.190812 -0.019130 185 C 13 Y -0.049182 0.093405 0.004175 -0.083461 -0.011166 186 C 13 Z 0.119924 -0.045749 -0.020908 0.298975 0.063333 187 C 13 X -0.477492 -0.248827 -0.911356 0.862150 -0.351540 188 C 13 Y 0.316787 -1.126107 -0.107040 0.026268 0.146248 189 C 13 Z -0.355223 -0.195083 -0.221365 -0.442586 -0.489138 190 C 13 XX -0.014365 0.013063 0.030126 -0.066191 -0.021606 191 C 13 YY -0.011966 -0.015103 -0.023097 0.000855 -0.009610 192 C 13 ZZ 0.026330 0.002040 -0.007030 0.065335 0.031217 193 C 13 XY 0.037899 -0.055303 -0.002995 -0.019764 0.003328 194 C 13 XZ -0.039515 -0.012174 -0.086181 0.031457 -0.038556 195 C 13 YZ 0.013473 -0.029821 -0.004969 -0.016725 -0.009922 196 C 14 S 0.005383 -0.063910 0.015035 -0.018097 -0.057135 197 C 14 S 0.013991 -0.098681 0.040242 -0.082276 -0.113413 198 C 14 S 0.469176 1.124932 0.678220 -0.434301 0.756846 199 C 14 X 0.019210 -0.148740 -0.039410 -0.064457 -0.072669 200 C 14 Y -0.170590 0.025801 -0.251862 0.027985 -0.179573 201 C 14 Z -0.077180 0.033446 -0.208544 0.075390 -0.183734 202 C 14 X -0.153833 1.698397 0.356406 -0.048599 0.260810 203 C 14 Y 0.619261 -0.312467 0.770104 -0.541754 0.464136 204 C 14 Z 0.095226 0.059055 0.349895 0.283779 0.341037 205 C 14 XX 0.031203 -0.027346 0.023332 0.030313 0.011233 206 C 14 YY 0.012433 0.017396 0.021408 -0.019515 -0.005617 207 C 14 ZZ -0.043636 0.009950 -0.044741 -0.010798 -0.005616 208 C 14 XY -0.012579 0.034002 0.000154 0.001025 -0.003761 209 C 14 XZ -0.004133 -0.012640 -0.011338 -0.031184 -0.024544 210 C 14 YZ -0.038965 0.019230 -0.083336 0.009440 -0.034922 211 F 15 S 0.001113 0.003264 -0.000773 -0.002400 0.001815 212 F 15 S 0.013364 0.004618 0.015421 0.009846 -0.012382 213 F 15 S 0.026538 -0.056995 0.097159 0.097245 -0.147346 214 F 15 X -0.028587 0.028076 0.016435 -0.003919 -0.041842 215 F 15 Y -0.002440 0.044135 0.049892 -0.047529 0.044943 216 F 15 Z -0.014072 -0.026022 0.002435 0.043092 -0.045357 217 F 15 X -0.043807 0.059326 -0.010342 0.063715 -0.058237 218 F 15 Y 0.000083 0.066835 0.051830 -0.055299 0.022882 219 F 15 Z -0.038577 0.020044 -0.048112 -0.044827 0.039935 220 F 15 XX -0.000486 0.003465 -0.002576 -0.002449 0.001472 221 F 15 YY 0.000456 0.000239 -0.001918 -0.004285 0.004222 222 F 15 ZZ 0.000030 -0.003704 0.004494 0.006734 -0.005694 223 F 15 XY 0.001545 -0.001209 0.001801 -0.002921 0.000177 224 F 15 XZ 0.000981 0.003408 0.000834 -0.002864 0.003540 225 F 15 YZ -0.001516 -0.000037 -0.004096 -0.001059 -0.004647 226 F 16 S -0.005970 -0.006686 -0.014522 0.006381 -0.017927 227 F 16 S -0.012228 0.004961 -0.015582 -0.007140 -0.033728 228 F 16 S 0.078756 0.160636 0.270757 -0.173938 0.224938 229 F 16 X -0.012884 -0.015345 -0.009996 0.059139 -0.041275 230 F 16 Y 0.036599 0.007810 0.078242 -0.007947 0.079777 231 F 16 Z -0.002643 -0.003369 -0.032553 0.022586 -0.030085 232 F 16 X -0.051472 0.077755 -0.004307 0.024849 -0.016989 233 F 16 Y 0.001873 -0.013821 0.002983 0.047745 -0.012215 234 F 16 Z 0.005621 0.045279 0.051600 -0.031527 -0.009476 235 F 16 XX -0.002726 0.001935 -0.006919 -0.000882 -0.006191 236 F 16 YY 0.003682 0.001543 0.009937 -0.002906 0.008588 237 F 16 ZZ -0.000956 -0.003478 -0.003018 0.003788 -0.002397 238 F 16 XY 0.000056 -0.002391 -0.003269 0.003087 -0.004089 239 F 16 XZ 0.002627 -0.001406 0.003802 -0.001924 0.003952 240 F 16 YZ -0.001969 -0.004504 -0.013128 0.004256 -0.008568 241 F 17 S -0.008142 0.002315 -0.013062 0.005517 -0.016487 242 F 17 S -0.003219 -0.017564 -0.005424 0.013948 -0.035432 243 F 17 S 0.176845 -0.154654 0.293161 -0.045470 0.163151 244 F 17 X 0.022503 -0.027634 0.002696 0.031609 -0.039979 245 F 17 Y -0.040999 -0.011607 -0.059206 0.034580 -0.058854 246 F 17 Z -0.030957 0.008789 -0.074842 0.002436 -0.031110 247 F 17 X 0.009781 -0.103958 -0.026647 0.002000 -0.003245 248 F 17 Y 0.011388 -0.042339 0.031859 0.051477 0.003794 249 F 17 Z 0.034594 -0.066129 0.039386 -0.026592 -0.008778 250 F 17 XX -0.005076 0.000323 -0.008586 -0.000687 -0.004074 251 F 17 YY 0.002992 -0.001290 0.005088 -0.002070 0.003596 252 F 17 ZZ 0.002084 0.000967 0.003497 0.002758 0.000478 253 F 17 XY 0.000226 -0.003132 0.000789 -0.001370 0.000815 254 F 17 XZ 0.001416 0.002760 0.003235 -0.000775 0.002029 255 F 17 YZ 0.008402 -0.004854 0.015638 -0.005183 0.008011 256 F 18 S 0.002941 -0.008207 0.004526 0.007555 0.000405 257 F 18 S 0.014265 -0.030558 0.008629 0.006988 -0.009971 258 F 18 S 0.008652 -0.002682 -0.052859 -0.128030 -0.104297 259 F 18 X 0.001445 -0.073644 0.006563 -0.027314 -0.023119 260 F 18 Y 0.001705 -0.021446 -0.014814 0.068660 -0.042188 261 F 18 Z -0.005297 0.002933 -0.031826 0.014738 -0.046847 262 F 18 X 0.012787 -0.118392 -0.039984 -0.010009 -0.038836 263 F 18 Y -0.041971 0.038676 -0.062210 0.025937 -0.023435 264 F 18 Z -0.022791 0.031952 -0.010989 0.034183 0.017251 265 F 18 XX -0.000089 -0.001572 0.000762 -0.000411 0.000999 266 F 18 YY -0.002692 0.002198 -0.001542 -0.000851 0.001958 267 F 18 ZZ 0.002781 -0.000626 0.000780 0.001262 -0.002957 268 F 18 XY -0.000396 -0.000721 -0.003399 0.000435 -0.000846 269 F 18 XZ -0.000088 -0.002372 0.001088 0.000911 0.002345 270 F 18 YZ 0.001585 0.000169 0.005080 0.000918 0.005632 271 C 19 S -0.005708 0.021161 0.024231 0.002120 -0.000128 272 C 19 S -0.017878 0.060092 0.064054 0.007520 0.004326 273 C 19 S -0.012197 -0.129545 -0.354630 0.053959 0.109621 274 C 19 X 0.045156 -0.060882 -0.129379 -0.040205 0.069034 275 C 19 Y -0.024764 -0.027738 0.026028 0.086057 -0.020092 276 C 19 Z 0.005571 -0.029318 0.022552 -0.010466 0.012570 277 C 19 X -0.236655 0.303326 0.789088 0.340692 -0.183336 278 C 19 Y 0.204674 0.134413 -0.196099 -0.325120 -0.057555 279 C 19 Z -0.030642 0.037314 -0.077331 0.022411 0.113116 280 C 19 XX 0.010712 0.019832 0.035692 -0.019598 -0.060439 281 C 19 YY 0.009266 -0.009394 -0.033659 -0.009446 0.018416 282 C 19 ZZ -0.019978 -0.010438 -0.002033 0.029044 0.042023 283 C 19 XY -0.018672 -0.002682 0.013116 0.033564 0.008003 284 C 19 XZ 0.001007 -0.006478 -0.009048 0.012762 0.025391 285 C 19 YZ 0.025897 0.006568 -0.037086 -0.017344 -0.009076 286 H 20 S 0.103332 -0.030836 -0.097829 -0.161789 -0.115527 287 H 20 S 0.011188 -0.229602 -0.415129 -0.014094 0.304806 288 H 20 X -0.004096 0.004699 0.028995 0.003618 -0.036505 289 H 20 Y -0.019506 -0.009987 0.019106 0.033756 0.011543 290 H 20 Z -0.003794 -0.006763 -0.002188 0.009822 0.019194 291 H 21 S -0.067074 -0.084938 0.025693 0.087164 0.142350 292 H 21 S 0.028554 0.049369 0.052879 -0.005415 -0.092957 293 H 21 X -0.001107 -0.004993 0.001571 0.002510 0.002845 294 H 21 Y 0.019066 -0.018881 -0.028454 -0.027545 0.014897 295 H 21 Z 0.015004 0.014028 -0.011630 -0.009310 -0.019192 296 C 22 S 0.044803 -0.016398 0.007070 -0.024421 0.013854 297 C 22 S 0.123576 -0.048789 0.020531 -0.061647 0.038456 298 C 22 S -0.287780 0.259575 -0.075090 0.231467 -0.123349 299 C 22 X -0.262728 -0.006060 -0.034208 0.050788 -0.057560 300 C 22 Y 0.146725 0.069189 -0.024496 -0.068087 0.076166 301 C 22 Z 0.045768 -0.008454 -0.032364 -0.067265 0.009716 302 C 22 X 0.909756 -0.157657 0.092130 -0.150524 0.298447 303 C 22 Y -0.047987 0.057773 0.006330 0.121044 -0.135514 304 C 22 Z -0.279644 0.031912 0.085597 0.067265 0.134619 305 C 22 XX 0.055507 0.010803 -0.007449 -0.018437 0.009020 306 C 22 YY -0.052457 -0.004885 -0.008437 0.013283 -0.004713 307 C 22 ZZ -0.003051 -0.005918 0.015886 0.005154 -0.004307 308 C 22 XY 0.024206 0.025374 -0.017515 -0.023777 0.025916 309 C 22 XZ 0.041498 -0.007001 -0.004896 0.048724 -0.044868 310 C 22 YZ 0.014180 0.008392 0.008593 0.006029 -0.022021 311 H 23 S 0.125909 0.054762 -0.029225 -0.084222 0.040584 312 H 23 S 0.146539 -0.096862 0.081660 0.028108 -0.044203 313 H 23 X -0.032568 -0.022113 0.014159 0.005944 -0.020984 314 H 23 Y 0.060416 -0.015764 0.012097 0.002045 0.011877 315 H 23 Z -0.021642 -0.002164 -0.000895 -0.018875 0.031718 316 H 24 S 0.051156 0.043677 0.007770 0.139031 -0.186018 317 H 24 S -0.188544 0.083676 -0.012115 -0.106240 0.015563 318 H 24 X 0.049040 0.010591 0.005260 0.022195 -0.011923 319 H 24 Y 0.007735 -0.005261 -0.016690 -0.019712 -0.004007 320 H 24 Z 0.003611 0.011412 0.002940 0.012482 -0.009754 321 H 25 S -0.235280 0.027839 -0.009030 -0.076092 0.094487 322 H 25 S -0.123565 0.043182 -0.064849 0.102476 -0.089531 323 H 25 X 0.019663 0.002294 -0.010765 -0.031562 0.031716 324 H 25 Y -0.015416 0.005339 0.012006 -0.003762 0.008376 325 H 25 Z -0.003188 -0.013949 -0.003224 0.010078 0.001450 326 C 26 S -0.004016 -0.003529 -0.011582 0.029726 0.012494 327 C 26 S -0.031372 -0.020836 -0.035692 0.084009 0.055489 328 C 26 S -0.303190 -0.044965 -0.143812 -0.132669 0.326051 329 C 26 X 0.036072 -0.037807 0.069079 0.065105 -0.026282 330 C 26 Y -0.024856 -0.016809 0.070418 0.010952 -0.004929 331 C 26 Z 0.166739 -0.049511 0.002856 0.085941 -0.034670 332 C 26 X -0.066250 -0.125872 -0.262554 -0.144304 0.047343 333 C 26 Y 0.011409 -0.140507 -0.062341 -0.030844 0.075687 334 C 26 Z -0.236451 0.043733 -0.090274 -0.093423 0.153301 335 C 26 XX -0.021897 -0.056765 0.069960 -0.029305 -0.000580 336 C 26 YY 0.072336 0.028128 -0.029415 0.035801 -0.034028 337 C 26 ZZ -0.050439 0.028637 -0.040545 -0.006496 0.034608 338 C 26 XY -0.001850 -0.024103 -0.019662 0.041886 0.035515 339 C 26 XZ 0.017718 0.011019 0.007148 0.026286 -0.001362 340 C 26 YZ -0.075434 -0.046857 0.035093 -0.035535 0.042581 341 H 27 S 0.018235 -0.068491 -0.055866 0.011815 0.026979 342 H 27 S 0.021302 0.041385 -0.021376 -0.127066 -0.154998 343 H 27 X 0.002431 0.038510 -0.035035 0.000591 0.002450 344 H 27 Y -0.036214 -0.008711 0.007152 -0.022450 0.005513 345 H 27 Z 0.024316 -0.001180 -0.028958 0.010614 0.008108 346 H 28 S 0.205815 0.172188 -0.058195 0.080091 -0.117635 347 H 28 S -0.288991 -0.286501 0.135975 -0.126932 0.200259 348 H 28 X -0.000153 -0.011487 -0.021308 0.025951 0.020206 349 H 28 Y 0.062544 0.030662 -0.026780 0.013578 -0.040014 350 H 28 Z -0.027431 -0.002210 0.009979 -0.014585 -0.006014 351 H 29 S -0.043048 -0.056004 0.159362 -0.156264 -0.092880 352 H 29 S 0.261012 0.205260 -0.193394 0.342599 0.013629 353 H 29 X -0.004450 -0.016655 0.028902 -0.036093 -0.006624 354 H 29 Y -0.006972 -0.024520 -0.008889 0.017644 0.025356 355 H 29 Z 0.012931 -0.002482 0.022468 0.013325 -0.002604 356 C 30 S -0.007695 -0.032321 0.001718 0.004711 0.032863 357 C 30 S -0.009881 -0.084600 -0.002435 0.014723 0.086313 358 C 30 S 0.300043 0.165453 -0.238069 0.040609 -0.286754 359 C 30 X 0.009527 0.016419 -0.016464 0.041599 -0.097675 360 C 30 Y 0.017618 0.117341 -0.020781 -0.026364 0.149168 361 C 30 Z 0.127948 0.087960 -0.081085 -0.134742 -0.061946 362 C 30 X -0.001276 0.188973 0.074310 -0.004797 0.240366 363 C 30 Y -0.134370 -0.210243 0.118113 -0.030309 -0.351314 364 C 30 Z -0.252950 -0.198076 0.201065 0.075328 0.104574 365 C 30 XX 0.025742 0.013288 -0.020025 -0.007551 -0.033628 366 C 30 YY -0.058158 -0.016265 0.050409 0.017062 0.020015 367 C 30 ZZ 0.032416 0.002977 -0.030384 -0.009511 0.013613 368 C 30 XY -0.029929 -0.051709 0.014374 -0.082789 -0.052033 369 C 30 XZ -0.005475 0.024021 -0.002915 -0.001462 0.006040 370 C 30 YZ 0.064228 -0.000558 -0.025365 -0.038885 -0.081131 371 H 31 S -0.134580 0.040035 0.121467 0.104509 0.043759 372 H 31 S 0.177888 0.117264 -0.125614 -0.194129 -0.357521 373 H 31 X 0.011336 0.034262 -0.015490 0.032621 0.033158 374 H 31 Y 0.036056 0.001545 -0.026941 -0.023143 -0.036051 375 H 31 Z -0.011217 0.047477 0.003843 0.011201 0.032737 376 H 32 S 0.152759 0.113597 -0.034514 0.094933 0.055601 377 H 32 S -0.224388 -0.159416 0.129011 -0.169904 0.076156 378 H 32 X -0.008830 -0.027817 0.012416 -0.026701 0.030551 379 H 32 Y 0.006101 0.014525 0.010974 0.043880 -0.000963 380 H 32 Z 0.018473 -0.050273 0.008042 -0.029390 -0.052619 381 H 33 S -0.049236 -0.014790 -0.028496 -0.153415 -0.137673 382 H 33 S 0.034974 0.036830 -0.089097 0.397688 0.459671 383 H 33 X 0.003887 -0.006185 0.003608 -0.015642 -0.034419 384 H 33 Y -0.029992 -0.027134 0.023815 -0.032587 -0.028689 385 H 33 Z 0.007631 0.019765 -0.019675 0.014857 0.018706 386 H 34 S -0.025839 -0.016375 0.042607 0.028213 -0.038415 387 H 34 S -0.096817 0.036379 0.266095 0.083777 -0.118384 388 H 34 X -0.014901 -0.000175 0.005988 0.018551 0.018386 389 H 34 Y 0.012777 0.007104 -0.030438 -0.023499 -0.012008 390 H 34 Z -0.002554 -0.009652 -0.014149 0.004902 0.016754 391 F 35 S 0.006599 0.006094 0.014694 -0.019947 -0.000376 392 F 35 S 0.010818 0.009300 0.010991 -0.019915 -0.009885 393 F 35 S -0.091541 -0.092960 -0.276620 0.346652 -0.048575 394 F 35 X 0.033372 0.037924 0.074920 -0.099530 -0.000685 395 F 35 Y 0.023870 -0.043031 0.003315 -0.021789 0.001485 396 F 35 Z 0.009964 0.003681 -0.018669 0.028137 0.013163 397 F 35 X 0.010352 -0.002229 -0.035571 0.060229 -0.001132 398 F 35 Y -0.010839 0.044262 -0.007448 0.001911 -0.016828 399 F 35 Z 0.045218 0.032490 0.050209 -0.008463 0.060983 400 F 35 XX -0.001821 -0.004718 -0.009457 0.015068 0.000906 401 F 35 YY 0.000479 0.001166 0.003895 -0.006262 -0.002800 402 F 35 ZZ 0.001342 0.003552 0.005562 -0.008807 0.001894 403 F 35 XY -0.003285 0.005056 -0.001736 0.002107 -0.000074 404 F 35 XZ 0.004765 0.001969 0.009988 -0.006067 0.002249 405 F 35 YZ -0.000232 0.003703 0.000040 -0.000820 -0.000761 406 F 36 S 0.010218 0.001027 0.004500 0.013787 0.009252 407 F 36 S 0.014989 -0.006273 0.010629 0.010594 0.004390 408 F 36 S -0.142886 -0.047479 -0.022596 -0.265311 -0.191876 409 F 36 X 0.027466 0.023330 0.050708 -0.052728 0.021837 410 F 36 Y -0.010139 0.055318 -0.009093 -0.039187 -0.000385 411 F 36 Z 0.045780 -0.000697 -0.006749 0.080839 0.020761 412 F 36 X 0.030559 0.022946 0.062146 -0.072801 0.035541 413 F 36 Y -0.008200 0.068954 -0.003609 -0.010784 -0.002165 414 F 36 Z -0.020332 -0.021249 0.006061 -0.070464 -0.046778 415 F 36 XX 0.003975 -0.000095 0.000711 0.006755 0.004551 416 F 36 YY 0.002973 0.000158 -0.002908 0.007242 0.000364 417 F 36 ZZ -0.006947 -0.000063 0.002197 -0.013997 -0.004915 418 F 36 XY 0.000314 -0.000348 0.000614 0.000810 -0.000202 419 F 36 XZ 0.001878 0.000179 0.004200 -0.001351 -0.000123 420 F 36 YZ -0.000014 0.000161 0.000162 0.003101 0.000671 421 C 37 S 0.004880 0.030783 0.014783 0.047480 0.043873 422 C 37 S 0.017756 0.122106 0.093193 0.042072 0.065462 423 C 37 S -0.085125 -0.180725 1.294462 -0.048246 -0.342314 424 C 37 X -0.025083 -0.013465 0.039738 -0.083518 -0.083261 425 C 37 Y -0.059924 -0.079400 0.188479 -0.012024 -0.060187 426 C 37 Z -0.054719 0.025571 -0.050904 0.075046 0.238850 427 C 37 X 0.049905 0.078394 -0.620197 0.298214 0.202799 428 C 37 Y 0.053526 0.790475 0.541291 0.028421 -0.346803 429 C 37 Z 0.061554 0.237653 0.118889 -0.154588 -0.463447 430 C 37 XX -0.001581 -0.060272 -0.034285 0.043532 0.036632 431 C 37 YY 0.013845 0.006242 0.018639 0.021176 -0.003445 432 C 37 ZZ -0.012264 0.054030 0.015646 -0.064707 -0.033187 433 C 37 XY 0.002488 -0.012827 0.053490 -0.010582 -0.018855 434 C 37 XZ -0.010606 -0.016043 -0.011772 -0.020676 0.021324 435 C 37 YZ -0.037452 0.010766 0.026644 0.032833 0.017999 436 S 38 S -0.009575 -0.017318 0.026410 0.005284 0.007357 437 S 38 S -0.067962 -0.129616 0.187242 0.035196 0.051085 438 S 38 S -0.085350 -0.208730 0.236364 0.030588 0.058199 439 S 38 S 0.270054 0.306629 -0.980555 -0.435626 -0.429577 440 S 38 X -0.000515 0.014871 0.035885 -0.026173 0.010654 441 S 38 Y 0.022613 -0.022498 -0.047202 -0.038834 -0.012309 442 S 38 Z -0.026010 0.029784 -0.014752 0.018110 -0.004071 443 S 38 X -0.017426 0.079683 0.181271 -0.111456 0.060216 444 S 38 Y 0.108565 -0.105346 -0.280907 -0.205558 -0.080930 445 S 38 Z -0.146987 0.161881 -0.071404 0.100757 -0.022645 446 S 38 X 0.190374 -0.195780 -0.684796 -0.011234 -0.031892 447 S 38 Y -0.135009 -0.001918 0.440222 0.371764 0.351388 448 S 38 Z 0.048448 -0.158364 0.135656 -0.143041 0.029148 449 S 38 XX 0.047895 -0.052894 0.042505 -0.109892 -0.001386 450 S 38 YY -0.051560 -0.074325 -0.071498 0.001934 -0.047093 451 S 38 ZZ 0.003665 0.127219 0.028993 0.107958 0.048479 452 S 38 XY -0.039983 -0.063541 0.046420 0.050706 0.067598 453 S 38 XZ 0.117648 -0.065013 -0.254792 -0.141333 0.141643 454 S 38 YZ -0.116425 0.050669 -0.053026 -0.054863 0.113797 455 S 38 XX 0.004236 -0.005709 0.008880 -0.014643 -0.000244 456 S 38 YY -0.007163 -0.009418 -0.006442 0.003170 -0.003860 457 S 38 ZZ 0.002927 0.015128 -0.002438 0.011473 0.004104 458 S 38 XY -0.005658 -0.008545 0.005973 0.008170 0.010264 459 S 38 XZ 0.016312 -0.009476 -0.033891 -0.018694 0.019590 460 S 38 YZ -0.016759 0.006235 -0.005889 -0.008722 0.015421 461 H 39 S -0.050118 -0.096396 -0.127224 0.264928 0.114070 462 H 39 S 0.035096 0.205345 0.474086 -0.354175 -0.218243 463 H 39 X -0.003054 -0.041567 -0.032438 0.052567 0.032043 464 H 39 Y 0.009836 0.013594 0.016601 -0.012760 -0.014508 465 H 39 Z 0.005508 0.000566 -0.011533 -0.009472 0.006480 176 177 178 179 180 0.7709 0.7774 0.7840 0.7989 0.8043 A A A A A 1 C 1 S -0.015219 -0.001096 0.058038 -0.036157 0.026835 2 C 1 S -0.034062 -0.017090 0.146362 -0.082877 0.063132 3 C 1 S -0.092107 0.322009 -0.436441 0.509511 -0.454443 4 C 1 X -0.029334 0.020035 -0.096149 0.122941 -0.048404 5 C 1 Y -0.027214 -0.001162 -0.005632 -0.083663 -0.027500 6 C 1 Z 0.053586 0.073017 -0.127904 -0.165772 -0.150128 7 C 1 X 0.189543 -0.188785 0.052444 -0.696598 0.724845 8 C 1 Y 0.056597 0.123078 -0.332808 0.485995 0.019903 9 C 1 Z -0.064334 -0.072769 0.260738 0.392024 0.147787 10 C 1 XX -0.013843 0.024122 -0.025125 0.032079 0.014554 11 C 1 YY 0.002159 0.003830 0.032070 -0.023463 -0.027503 12 C 1 ZZ 0.011684 -0.027953 -0.006945 -0.008616 0.012949 13 C 1 XY -0.014981 0.006188 0.059724 0.008927 -0.000777 14 C 1 XZ -0.006410 -0.015943 -0.000126 0.019575 0.028457 15 C 1 YZ -0.001480 0.044711 -0.006401 0.012606 0.014451 16 C 2 S 0.025431 0.018390 0.050343 0.017526 0.001339 17 C 2 S 0.062889 0.047420 0.145383 0.088788 0.025317 18 C 2 S -0.481428 -0.239993 1.042224 -0.259488 0.574789 19 C 2 X -0.052358 0.070876 -0.125802 0.027503 0.015197 20 C 2 Y 0.023284 0.036188 -0.033225 0.188321 -0.119672 21 C 2 Z -0.037478 0.127934 0.220763 0.030514 -0.054570 22 C 2 X 0.277549 -0.377965 0.294652 -0.873876 0.513026 23 C 2 Y -0.399818 -0.179961 1.279167 -0.270898 0.465160 24 C 2 Z 0.010866 -0.260918 -0.363572 -0.176068 0.018101 25 C 2 XX 0.025597 -0.018205 0.038967 -0.041086 0.000180 26 C 2 YY -0.026377 0.012184 -0.007914 0.014745 -0.011267 27 C 2 ZZ 0.000780 0.006021 -0.031053 0.026342 0.011087 28 C 2 XY -0.025101 0.011729 -0.047459 0.028893 -0.048327 29 C 2 XZ 0.007924 0.007487 -0.026038 -0.012984 -0.032585 30 C 2 YZ -0.023496 0.004088 0.012093 0.016429 0.028947 31 C 3 S 0.048804 0.048552 0.062992 0.033499 0.026072 32 C 3 S 0.103453 0.099785 0.146670 0.017955 0.081966 33 C 3 S 0.622003 -0.071158 -0.334970 0.485487 -0.542333 34 C 3 X -0.179571 0.081759 -0.050696 0.157846 0.004031 35 C 3 Y 0.026570 0.053853 0.043872 0.078295 0.062411 36 C 3 Z -0.111665 -0.123501 -0.061766 0.001902 0.113738 37 C 3 X 0.138695 0.216440 -0.572491 0.993498 -0.416080 38 C 3 Y -0.694053 -0.044219 1.581186 0.637660 -0.123038 39 C 3 Z 0.122472 0.305370 0.294658 0.375903 -0.099849 40 C 3 XX 0.042341 0.018701 0.008062 0.071823 -0.018255 41 C 3 YY 0.017504 0.017765 0.003193 0.042907 -0.016174 42 C 3 ZZ -0.059845 -0.036466 -0.011254 -0.114730 0.034430 43 C 3 XY 0.020630 -0.015079 0.009470 -0.041316 0.039528 44 C 3 XZ -0.005640 0.005781 0.049866 0.010009 -0.021959 45 C 3 YZ 0.029139 -0.034415 -0.023984 -0.003834 -0.034338 46 C 4 S 0.021521 -0.026594 -0.023218 -0.086836 -0.059140 47 C 4 S 0.085771 -0.069474 -0.074502 -0.229954 -0.142196 48 C 4 S 0.245400 0.029068 0.099625 0.809799 1.043345 49 C 4 X -0.136559 -0.055241 -0.033976 -0.170429 -0.046793 50 C 4 Y -0.097494 0.031874 -0.198257 -0.075725 0.021685 51 C 4 Z -0.150377 -0.190194 0.167615 -0.004585 -0.050252 52 C 4 X -0.069844 0.055172 0.264707 1.135055 0.316864 53 C 4 Y 0.533104 -0.010376 0.107085 1.014384 0.042477 54 C 4 Z 0.207973 0.192841 -0.533856 -0.296876 -0.098800 55 C 4 XX -0.056500 -0.006909 -0.031628 -0.051630 -0.031028 56 C 4 YY 0.021715 -0.031201 0.042410 0.028863 0.019019 57 C 4 ZZ 0.034785 0.038109 -0.010781 0.022767 0.012009 58 C 4 XY 0.000505 -0.010667 0.000384 -0.027877 0.016666 59 C 4 XZ 0.007581 0.025048 0.008554 -0.003410 0.016849 60 C 4 YZ 0.007012 0.062878 -0.068122 -0.026950 0.018624 61 S 5 S -0.008665 0.003053 0.006559 0.015713 0.030439 62 S 5 S -0.062404 0.020899 0.048190 0.112143 0.222231 63 S 5 S -0.082432 0.022158 0.070989 0.151339 0.324921 64 S 5 S 0.193237 -0.103965 -0.046381 -0.504939 -0.722537 65 S 5 X 0.020234 -0.020243 -0.012267 -0.041543 -0.006903 66 S 5 Y -0.007882 -0.005991 -0.022417 0.020788 0.029763 67 S 5 Z 0.018446 0.048703 -0.024265 0.002907 -0.024456 68 S 5 X 0.103650 -0.112083 -0.065327 -0.242206 -0.057234 69 S 5 Y -0.049225 -0.036124 -0.090289 0.119730 0.168853 70 S 5 Z 0.092721 0.244958 -0.132475 0.011713 -0.124913 71 S 5 X -0.246750 0.168647 0.046511 0.480005 0.198481 72 S 5 Y 0.133677 0.004746 0.010593 -0.409488 -0.143889 73 S 5 Z -0.090634 -0.314406 0.106912 -0.155953 0.055825 74 S 5 XX 0.011039 -0.072438 -0.016882 -0.083327 0.058125 75 S 5 YY -0.091644 0.046579 0.088036 0.076250 -0.072291 76 S 5 ZZ 0.080605 0.025859 -0.071154 0.007077 0.014166 77 S 5 XY 0.039614 0.019747 0.020459 0.024825 0.030116 78 S 5 XZ 0.014842 -0.121982 -0.036683 -0.029369 -0.074882 79 S 5 YZ 0.047629 -0.038438 -0.069311 -0.083468 -0.089689 80 S 5 XX -0.001706 -0.009423 -0.002493 -0.009612 0.007231 81 S 5 YY -0.010446 0.007035 0.013148 0.011757 -0.006743 82 S 5 ZZ 0.012152 0.002388 -0.010655 -0.002145 -0.000488 83 S 5 XY 0.006756 0.002854 0.001428 -0.001043 0.000598 84 S 5 XZ 0.002552 -0.016712 -0.004386 -0.006196 -0.011713 85 S 5 YZ 0.006777 -0.004206 -0.010307 -0.010136 -0.011986 86 H 6 S -0.009088 -0.055449 0.027887 -0.116330 -0.054137 87 H 6 S 0.051195 -0.187160 0.664441 -0.448553 0.527502 88 H 6 X 0.004590 -0.003520 0.020534 -0.005510 0.018190 89 H 6 Y 0.018754 -0.007058 0.030846 -0.004713 0.028124 90 H 6 Z 0.002796 -0.006121 0.006270 -0.005122 -0.001014 91 C 7 S 0.080733 -0.012726 0.018317 0.033626 0.047540 92 C 7 S 0.192089 0.000929 0.015345 0.137382 0.097416 93 C 7 S -0.049474 0.502701 -0.358172 -0.941083 -0.712428 94 C 7 X -0.075316 0.027651 -0.034945 -0.036165 0.289169 95 C 7 Y -0.106915 -0.012956 0.039656 -0.078304 -0.033828 96 C 7 Z 0.023751 -0.112929 0.094625 0.076896 0.058809 97 C 7 X 0.498839 -0.077615 -0.627426 -0.692576 -0.434494 98 C 7 Y -0.028721 -0.309517 0.180016 0.538940 -0.202271 99 C 7 Z -0.076215 -0.041738 0.020633 0.226930 0.163971 100 C 7 XX -0.004646 0.034858 0.007605 -0.064347 -0.014766 101 C 7 YY 0.023367 -0.043678 0.006761 0.002562 0.004458 102 C 7 ZZ -0.018722 0.008820 -0.014366 0.061785 0.010308 103 C 7 XY 0.010214 0.018626 0.003657 -0.039883 0.083019 104 C 7 XZ -0.018777 0.008333 0.004325 0.042603 0.041323 105 C 7 YZ 0.010359 0.045930 -0.017962 -0.004325 -0.039103 106 C 8 S 0.002757 -0.021894 -0.047647 0.024039 0.036797 107 C 8 S -0.009545 -0.045491 -0.108575 0.019358 0.115890 108 C 8 S -0.173933 -0.417540 0.198919 0.289126 -0.647859 109 C 8 X -0.015113 -0.066083 -0.047362 -0.166237 0.118332 110 C 8 Y 0.024958 0.081713 0.009903 -0.049518 -0.100733 111 C 8 Z 0.033270 0.071006 0.208139 -0.007314 0.222345 112 C 8 X -0.018317 0.576907 -0.086922 0.271850 0.098843 113 C 8 Y 0.423480 -0.077885 -0.018646 -0.019178 0.720762 114 C 8 Z -0.061475 0.027067 -0.214900 -0.002931 -0.113454 115 C 8 XX 0.009266 -0.004482 -0.058009 0.018275 0.018944 116 C 8 YY -0.004816 -0.027411 0.027436 0.021394 -0.073898 117 C 8 ZZ -0.004450 0.031893 0.030573 -0.039668 0.054954 118 C 8 XY -0.014682 0.012942 0.013815 0.047484 0.009718 119 C 8 XZ -0.043041 0.022059 -0.016243 -0.018114 -0.000918 120 C 8 YZ 0.008453 -0.037198 0.020944 0.055228 0.004795 121 C 9 S 0.019853 -0.062696 0.012593 -0.011983 -0.074977 122 C 9 S 0.013439 -0.218965 0.084880 -0.006181 -0.224108 123 C 9 S -0.712527 0.185126 0.403208 0.545936 0.240305 124 C 9 X -0.045602 -0.111886 -0.064869 0.086241 0.212500 125 C 9 Y 0.011114 -0.001718 -0.210887 -0.173576 -0.095309 126 C 9 Z 0.092453 0.107325 0.062632 0.109888 0.172678 127 C 9 X -0.149894 0.343287 -0.078802 -0.696252 -0.858890 128 C 9 Y -0.241101 -0.418846 1.027051 1.490806 0.118636 129 C 9 Z -0.456971 0.073394 0.176769 -0.418655 -0.737880 130 C 9 XX -0.014799 -0.055199 0.011781 0.061977 0.002776 131 C 9 YY -0.018016 -0.018758 -0.008512 -0.032692 -0.065646 132 C 9 ZZ 0.032815 0.073956 -0.003268 -0.029285 0.062871 133 C 9 XY -0.022583 -0.009998 0.005312 0.046446 -0.034599 134 C 9 XZ 0.007017 0.034511 -0.007862 -0.033291 -0.038751 135 C 9 YZ 0.005552 0.057464 0.048939 0.052596 0.038913 136 C 10 S 0.028252 0.031963 -0.046340 0.012443 0.015453 137 C 10 S 0.001151 0.069196 -0.104510 0.038427 0.050005 138 C 10 S -0.219549 -0.284284 0.203033 0.255134 -0.575947 139 C 10 X 0.141886 0.071124 0.148374 -0.234637 0.078711 140 C 10 Y 0.039492 -0.073085 0.012962 -0.154017 0.010178 141 C 10 Z -0.002350 0.050849 -0.012899 -0.046592 0.015437 142 C 10 X -0.585584 -0.189211 0.590015 0.791889 -0.395382 143 C 10 Y 0.949121 -0.237254 -1.185420 -0.639228 0.585654 144 C 10 Z -0.095362 0.057669 -0.054369 -0.064872 -0.074297 145 C 10 XX 0.039387 -0.015347 -0.041727 0.016645 -0.013663 146 C 10 YY -0.011712 0.016069 -0.003558 -0.003345 -0.006628 147 C 10 ZZ -0.027675 -0.000721 0.045285 -0.013300 0.020290 148 C 10 XY 0.008976 -0.014016 0.010251 0.039639 -0.019939 149 C 10 XZ 0.034257 -0.037660 0.022559 0.002401 0.010525 150 C 10 YZ 0.005162 0.004129 -0.007557 0.001452 0.011965 151 C 11 S 0.017162 0.058527 -0.000024 0.052814 0.015943 152 C 11 S 0.028775 0.139654 -0.035859 0.125367 0.035919 153 C 11 S 0.503498 0.114294 -1.033793 -0.509491 -0.199980 154 C 11 X 0.161504 0.083138 0.034581 0.243631 -0.152900 155 C 11 Y 0.098132 0.041873 -0.039198 -0.150001 0.014033 156 C 11 Z 0.066331 -0.204631 -0.059492 0.121774 0.045009 157 C 11 X 0.032866 -0.170441 -1.335106 -0.120871 0.659492 158 C 11 Y 1.059896 -0.386481 -1.111280 -0.722040 0.628248 159 C 11 Z 0.019748 0.208400 -0.138800 -0.291189 0.023656 160 C 11 XX 0.003979 0.012211 0.007519 -0.032334 -0.020620 161 C 11 YY -0.014374 0.019569 -0.026352 0.034101 0.021988 162 C 11 ZZ 0.010395 -0.031780 0.018833 -0.001767 -0.001368 163 C 11 XY -0.027812 0.025419 0.024184 -0.011004 -0.019762 164 C 11 XZ -0.017496 -0.015531 0.017258 -0.013390 -0.019487 165 C 11 YZ -0.001578 0.018995 0.021741 -0.010296 -0.022248 166 C 12 S -0.022282 0.027468 -0.003665 0.006382 -0.052065 167 C 12 S -0.038447 0.071556 0.019266 0.013901 -0.128956 168 C 12 S -0.191528 -0.336865 -0.074312 0.548660 0.451317 169 C 12 X 0.095789 -0.030870 -0.106313 -0.060595 -0.065032 170 C 12 Y 0.077444 -0.097366 0.047630 0.195361 -0.071370 171 C 12 Z -0.342850 0.083157 0.057997 -0.103526 -0.141903 172 C 12 X -0.749592 0.354466 1.016860 0.353446 -0.217139 173 C 12 Y -0.189609 0.285102 0.514060 -0.495650 -0.316088 174 C 12 Z 1.026378 -0.288262 0.145519 0.271435 0.123987 175 C 12 XX -0.049958 -0.001907 -0.019062 0.052425 -0.009446 176 C 12 YY -0.027557 0.016635 0.003433 -0.040992 -0.007113 177 C 12 ZZ 0.077515 -0.014728 0.015629 -0.011434 0.016559 178 C 12 XY 0.045455 -0.017015 -0.024973 -0.034130 0.047985 179 C 12 XZ -0.038885 0.026085 -0.018716 -0.019843 0.004404 180 C 12 YZ 0.001706 -0.030961 -0.045328 0.052127 0.026556 181 C 13 S -0.047143 0.008278 0.005057 -0.043403 -0.000628 182 C 13 S -0.086515 0.001166 0.023941 -0.101796 -0.014419 183 C 13 S 0.583321 0.004621 -0.069091 0.252486 -0.218405 184 C 13 X -0.361637 0.041935 -0.197909 0.032860 0.126060 185 C 13 Y 0.045614 -0.092262 -0.234315 0.014969 0.166858 186 C 13 Z 0.361584 -0.024474 0.106580 0.053197 -0.076646 187 C 13 X 0.750174 -0.101056 0.266496 -0.171291 -0.469343 188 C 13 Y -0.510494 0.478352 1.353573 0.062096 -0.871713 189 C 13 Z -0.883530 0.206616 -0.362905 -0.237235 0.019803 190 C 13 XX -0.079769 -0.004815 -0.057326 0.000773 0.008427 191 C 13 YY -0.002768 0.010711 0.000845 0.001941 0.010384 192 C 13 ZZ 0.082536 -0.005896 0.056481 -0.002713 -0.018812 193 C 13 XY 0.008386 0.008556 0.046925 -0.054281 0.019012 194 C 13 XZ 0.049299 0.017384 0.012109 -0.019213 -0.027881 195 C 13 YZ -0.036404 0.009609 0.042076 -0.039496 0.004987 196 C 14 S 0.016334 -0.006244 -0.023913 -0.041916 0.056468 197 C 14 S 0.080315 -0.019843 -0.050510 -0.092515 0.127325 198 C 14 S -0.165582 0.025532 -0.149471 0.070851 0.103384 199 C 14 X -0.041523 0.022314 0.135620 -0.104016 -0.107403 200 C 14 Y -0.111655 0.117891 -0.213654 0.183677 -0.139719 201 C 14 Z 0.213772 -0.012381 -0.290070 -0.031383 0.041255 202 C 14 X 0.661658 -0.336834 -1.409630 0.309323 0.842329 203 C 14 Y -0.424035 -0.028741 0.449559 -0.201827 0.500461 204 C 14 Z -0.199833 -0.136286 0.585081 0.144877 -0.133489 205 C 14 XX -0.031099 -0.005432 -0.008288 -0.010654 0.047756 206 C 14 YY 0.029063 0.004868 -0.021693 -0.011898 -0.006586 207 C 14 ZZ 0.002037 0.000564 0.029981 0.022551 -0.041170 208 C 14 XY 0.014830 -0.031490 -0.040425 -0.028726 0.053720 209 C 14 XZ -0.004351 -0.012157 -0.028049 -0.001066 0.029610 210 C 14 YZ 0.079445 -0.004103 -0.063671 0.019626 0.002291 211 F 15 S 0.027296 -0.008283 -0.013871 0.009108 0.006162 212 F 15 S 0.026361 -0.000451 -0.039883 0.018911 0.006351 213 F 15 S -0.475531 0.188026 0.051482 -0.094552 -0.120175 214 F 15 X -0.010774 -0.023478 -0.079634 0.001181 0.013017 215 F 15 Y -0.051524 0.002768 0.032426 -0.000627 0.005964 216 F 15 Z -0.112101 0.032605 0.022383 -0.025501 -0.049144 217 F 15 X -0.018088 -0.004782 -0.071441 -0.013946 -0.011678 218 F 15 Y 0.018888 -0.021644 -0.063211 0.040156 0.026977 219 F 15 Z 0.106337 -0.063107 -0.004905 0.016876 0.022048 220 F 15 XX 0.008586 -0.002097 -0.003704 0.000672 0.003743 221 F 15 YY 0.007131 -0.003142 0.002189 -0.000544 0.004035 222 F 15 ZZ -0.015717 0.005239 0.001515 -0.000128 -0.007779 223 F 15 XY -0.001477 -0.000508 -0.001927 0.001167 0.001821 224 F 15 XZ 0.006219 -0.003452 -0.003476 0.003421 0.003723 225 F 15 YZ -0.005231 0.002874 0.000017 -0.003771 0.000276 226 F 16 S -0.011854 0.003183 -0.007676 -0.012323 -0.001466 227 F 16 S -0.020893 -0.003764 -0.044315 -0.007936 0.011306 228 F 16 S 0.172354 -0.096443 -0.078989 0.241809 0.081383 229 F 16 X -0.017011 0.009021 -0.007255 0.004018 -0.063350 230 F 16 Y 0.028327 0.006404 0.046622 0.057235 -0.031839 231 F 16 Z -0.053984 0.039282 0.034961 -0.035913 -0.013197 232 F 16 X 0.048833 -0.043478 -0.078688 0.032560 0.011007 233 F 16 Y -0.037472 0.023537 0.034319 -0.038830 -0.043562 234 F 16 Z -0.070025 0.013612 -0.041281 0.013864 0.005773 235 F 16 XX -0.003763 0.001631 -0.003040 -0.006535 0.003843 236 F 16 YY 0.006154 -0.001830 0.001048 0.008606 -0.001265 237 F 16 ZZ -0.002391 0.000199 0.001992 -0.002071 -0.002578 238 F 16 XY -0.007516 0.002449 0.001085 -0.000432 -0.002454 239 F 16 XZ 0.001745 -0.000422 0.002629 0.002564 -0.001145 240 F 16 YZ -0.002353 0.004675 0.004008 -0.009266 -0.001548 241 F 17 S -0.000302 0.006862 -0.013759 0.000742 -0.010652 242 F 17 S -0.042520 0.022013 -0.015790 -0.002974 -0.013217 243 F 17 S -0.212830 -0.039446 0.244421 -0.048446 0.165812 244 F 17 X 0.016761 -0.014086 -0.015655 -0.037123 0.007880 245 F 17 Y -0.038033 0.039038 -0.028642 0.017825 -0.051653 246 F 17 Z 0.046542 0.003299 -0.075498 0.031980 0.008283 247 F 17 X -0.059557 0.016961 0.096076 -0.054064 -0.035084 248 F 17 Y -0.095219 0.010405 0.038640 0.007428 -0.003340 249 F 17 Z -0.076447 0.011021 -0.003677 -0.018398 0.063127 250 F 17 XX -0.002792 0.002531 -0.007544 0.003574 -0.003300 251 F 17 YY 0.000067 -0.001421 0.006040 -0.000397 0.003419 252 F 17 ZZ 0.002725 -0.001110 0.001503 -0.003177 -0.000119 253 F 17 XY -0.002359 0.000733 0.005884 0.000015 -0.004895 254 F 17 XZ 0.001738 -0.000075 0.000465 0.000902 0.000204 255 F 17 YZ -0.007946 -0.001723 0.012792 -0.006775 0.006334 256 F 18 S -0.012962 0.001834 0.015931 0.001943 -0.009161 257 F 18 S -0.021500 0.005381 0.008398 0.002513 0.004971 258 F 18 S 0.158367 -0.007698 -0.325717 -0.050359 0.242756 259 F 18 X -0.082727 -0.003502 0.021830 -0.013866 -0.010256 260 F 18 Y -0.023213 0.018940 0.011946 -0.000232 -0.054819 261 F 18 Z 0.070404 -0.016771 -0.073847 -0.028660 0.032177 262 F 18 X -0.049261 0.020454 0.032477 -0.052873 -0.007668 263 F 18 Y 0.082833 -0.004111 -0.074109 0.023613 -0.007424 264 F 18 Z -0.016065 0.002517 0.074945 -0.005975 -0.090105 265 F 18 XX -0.007728 0.002848 0.005411 0.000852 -0.004536 266 F 18 YY -0.001838 0.000256 0.001658 0.004139 -0.003247 267 F 18 ZZ 0.009566 -0.003104 -0.007068 -0.004991 0.007783 268 F 18 XY 0.005105 0.000369 0.001084 -0.001403 -0.000759 269 F 18 XZ -0.008650 0.001408 0.005131 0.000773 -0.002600 270 F 18 YZ -0.004559 -0.000004 0.010526 -0.000163 -0.005384 271 C 19 S -0.000626 -0.006272 0.005315 0.024376 -0.016013 272 C 19 S -0.007945 -0.022696 0.018958 0.083055 -0.065114 273 C 19 S -0.168853 -0.055079 0.013847 -0.081368 -0.276255 274 C 19 X -0.022842 0.072632 -0.106526 -0.013406 0.129578 275 C 19 Y 0.052225 -0.008645 0.046684 -0.195108 0.055184 276 C 19 Z -0.022940 0.092040 -0.040844 -0.046508 -0.067214 277 C 19 X 0.190115 -0.345495 0.328006 0.016626 -0.184442 278 C 19 Y -0.087852 0.256728 -0.083105 0.445125 0.007739 279 C 19 Z 0.115986 -0.062951 0.056881 0.015181 0.071209 280 C 19 XX 0.025225 -0.004315 0.042420 -0.037563 -0.019018 281 C 19 YY -0.016884 0.039656 -0.029424 -0.001607 0.011274 282 C 19 ZZ -0.008341 -0.035341 -0.012995 0.039170 0.007744 283 C 19 XY 0.001306 -0.014222 0.009447 -0.029570 0.006918 284 C 19 XZ 0.006921 0.033755 -0.009368 -0.041108 -0.026979 285 C 19 YZ 0.002632 -0.070696 -0.001244 0.022918 0.018099 286 H 20 S 0.026605 0.103264 -0.025689 -0.128652 0.106453 287 H 20 S -0.167687 0.088092 -0.258369 0.129860 0.117753 288 H 20 X 0.018364 -0.013854 0.031031 -0.042906 -0.006789 289 H 20 Y 0.002667 -0.026889 0.002457 -0.028213 0.019391 290 H 20 Z 0.007216 0.023567 -0.004649 -0.025063 -0.014676 291 H 21 S 0.032141 0.089209 -0.064135 -0.096505 -0.015051 292 H 21 S 0.096248 -0.303651 0.100078 -0.067277 0.000067 293 H 21 X -0.007196 -0.026845 -0.006020 0.016867 -0.004496 294 H 21 Y -0.013830 0.053496 -0.036130 0.000456 -0.018838 295 H 21 Z 0.005512 -0.005202 0.015024 -0.005493 -0.006607 296 C 22 S 0.005226 0.002521 0.000084 -0.023394 0.008506 297 C 22 S 0.006016 0.010946 -0.006363 -0.047648 0.012600 298 C 22 S -0.025494 0.055588 -0.117084 0.386562 -0.141050 299 C 22 X 0.015370 -0.004765 -0.143693 0.083449 0.153679 300 C 22 Y 0.045304 0.012873 -0.105832 -0.155558 0.031882 301 C 22 Z -0.022569 -0.032374 0.106117 0.030021 -0.006455 302 C 22 X 0.026752 -0.000551 0.303079 -0.203626 -0.579065 303 C 22 Y -0.081527 -0.014930 0.309833 0.296649 -0.276954 304 C 22 Z 0.025034 0.222358 -0.179211 -0.128047 -0.019748 305 C 22 XX 0.020853 -0.001368 0.000720 -0.025896 -0.034317 306 C 22 YY 0.009162 -0.005967 -0.041472 0.014699 0.054090 307 C 22 ZZ -0.030015 0.007335 0.040752 0.011197 -0.019772 308 C 22 XY 0.027713 -0.001759 -0.047520 -0.052752 0.034366 309 C 22 XZ 0.001988 -0.039645 -0.045873 -0.005523 0.023360 310 C 22 YZ 0.000616 -0.018780 0.005518 0.003137 0.000357 311 H 23 S 0.119587 -0.049793 0.002236 -0.192868 0.009251 312 H 23 S -0.177891 0.041963 0.389832 0.204604 -0.411737 313 H 23 X -0.022064 0.001263 0.034570 0.028497 -0.003000 314 H 23 Y -0.015336 0.005785 0.036042 0.017976 -0.056834 315 H 23 Z -0.001320 0.026313 0.012759 -0.000430 -0.008251 316 H 24 S -0.030931 -0.104501 -0.014412 -0.000859 0.034136 317 H 24 S 0.050711 0.027231 -0.015237 0.043724 0.144936 318 H 24 X 0.014000 -0.013090 -0.017091 -0.026011 -0.024075 319 H 24 Y 0.005208 -0.022180 0.004762 -0.005512 0.026968 320 H 24 Z -0.009854 0.000261 0.013162 -0.008933 -0.003779 321 H 25 S -0.053761 0.121661 0.148872 0.025640 0.003593 322 H 25 S 0.056511 -0.057249 -0.299742 -0.061564 0.260390 323 H 25 X 0.004008 0.009094 0.041169 -0.003272 -0.026806 324 H 25 Y 0.015279 0.015943 -0.026304 -0.032781 0.003252 325 H 25 Z 0.016476 -0.001153 -0.051441 0.001157 0.017231 326 C 26 S 0.048134 0.069844 0.006067 0.007126 0.067910 327 C 26 S 0.137028 0.247116 0.021308 0.006104 0.197373 328 C 26 S -0.311180 -0.092102 0.093924 -0.242701 -0.549024 329 C 26 X -0.108507 0.059029 -0.078991 0.067216 0.073749 330 C 26 Y -0.055725 -0.027343 -0.016549 0.000242 0.086347 331 C 26 Z 0.105718 0.299555 -0.055801 0.029839 0.230838 332 C 26 X 0.261108 -0.161183 0.191803 0.147568 -0.087917 333 C 26 Y 0.099368 0.146181 -0.023869 -0.186917 -0.234531 334 C 26 Z -0.196975 -0.518297 0.140564 0.077544 -0.603851 335 C 26 XX 0.015525 -0.015915 -0.062612 -0.023460 -0.004495 336 C 26 YY 0.001616 0.024691 0.022613 0.044408 0.045496 337 C 26 ZZ -0.017141 -0.008776 0.039999 -0.020948 -0.041001 338 C 26 XY -0.059169 -0.065421 -0.037611 0.042974 0.031939 339 C 26 XZ -0.003511 0.011589 -0.003197 0.012336 0.006327 340 C 26 YZ 0.009282 -0.024435 -0.035542 -0.033201 -0.038664 341 H 27 S -0.074403 -0.338292 -0.080198 0.151684 -0.107840 342 H 27 S 0.325121 0.434755 0.300248 -0.021330 -0.177096 343 H 27 X 0.036635 0.055708 0.051395 -0.006970 -0.003646 344 H 27 Y 0.050005 0.044786 0.013592 -0.035193 -0.026258 345 H 27 Z -0.013351 -0.026102 -0.009486 -0.006651 0.036995 346 H 28 S -0.071085 -0.127348 0.103731 0.113486 -0.007210 347 H 28 S 0.003646 -0.306151 -0.274552 -0.007981 -0.167193 348 H 28 X -0.022699 -0.019884 -0.007883 0.016946 0.013762 349 H 28 Y -0.000119 0.003919 0.021675 0.038284 0.010988 350 H 28 Z 0.015448 0.015005 0.014896 0.007725 0.032733 351 H 29 S 0.026817 -0.134844 -0.095210 -0.065666 -0.110182 352 H 29 S -0.262485 -0.079526 0.098107 0.164221 0.226180 353 H 29 X 0.014538 -0.034161 -0.020733 -0.029336 -0.042135 354 H 29 Y -0.024110 -0.014500 -0.024300 0.004435 0.016314 355 H 29 Z 0.010116 0.047189 -0.011775 -0.008573 -0.016987 356 C 30 S 0.034097 0.028997 0.001094 0.087382 0.031730 357 C 30 S 0.086732 0.095387 -0.011943 0.224802 0.097535 358 C 30 S -0.337223 -0.205641 0.182981 -0.403921 -0.149755 359 C 30 X -0.129209 -0.074958 -0.022042 -0.102170 0.066381 360 C 30 Y 0.054712 -0.014515 -0.004146 -0.061775 -0.018607 361 C 30 Z -0.045498 -0.187724 0.036372 -0.137267 -0.132188 362 C 30 X 0.287312 0.248955 0.030277 0.019194 -0.212298 363 C 30 Y -0.204399 -0.146113 0.145715 -0.087312 -0.008038 364 C 30 Z 0.143804 0.262195 -0.193507 0.265459 0.190424 365 C 30 XX -0.009240 0.072380 -0.030145 0.038656 -0.027124 366 C 30 YY 0.033170 -0.029539 0.020063 -0.017648 0.035860 367 C 30 ZZ -0.023929 -0.042840 0.010082 -0.021008 -0.008736 368 C 30 XY 0.074277 0.005999 -0.000068 0.053201 -0.036302 369 C 30 XZ 0.005905 0.008393 -0.010712 -0.006766 -0.033891 370 C 30 YZ -0.011767 -0.024406 0.014812 0.005338 -0.033578 371 H 31 S -0.019722 -0.191782 0.097770 -0.091219 0.046619 372 H 31 S -0.106221 0.070660 0.127581 0.116478 -0.171850 373 H 31 X -0.034779 -0.004482 0.004041 -0.031990 0.009628 374 H 31 Y -0.013649 0.015051 -0.001997 0.031727 -0.016822 375 H 31 Z 0.001398 0.003310 0.008239 -0.011137 -0.006162 376 H 32 S -0.069867 0.072647 0.015244 -0.009440 0.008137 377 H 32 S 0.445958 0.044477 -0.017750 0.121359 -0.064261 378 H 32 X 0.046723 -0.015098 0.007273 0.016455 0.003031 379 H 32 Y -0.043997 -0.034090 0.000268 -0.042962 0.016598 380 H 32 Z 0.008659 -0.018203 0.009967 0.004869 0.024232 381 H 33 S 0.090217 -0.014397 -0.038718 0.065081 -0.122059 382 H 33 S -0.265299 -0.029586 -0.070592 -0.159552 0.271540 383 H 33 X 0.016865 0.030441 -0.001362 0.033631 -0.027194 384 H 33 Y 0.035028 -0.024046 0.015234 0.014524 -0.009110 385 H 33 Z -0.019781 0.005462 -0.017861 -0.037078 -0.028512 386 H 34 S -0.007966 -0.182085 -0.007290 0.059137 0.119565 387 H 34 S 0.037081 0.158469 0.110889 -0.237236 -0.111656 388 H 34 X 0.003904 0.012139 0.005063 -0.014142 -0.008072 389 H 34 Y -0.001857 -0.004069 0.000095 0.017739 0.031194 390 H 34 Z -0.001153 -0.036138 -0.011933 0.022273 0.030198 391 F 35 S -0.021279 0.005545 -0.015791 0.004363 0.011739 392 F 35 S -0.036106 0.016968 -0.028275 0.006047 0.017177 393 F 35 S 0.313317 -0.030455 0.211846 -0.066790 -0.183010 394 F 35 X -0.113084 0.023488 -0.078190 0.023613 0.056656 395 F 35 Y -0.033967 0.006512 0.023238 -0.025423 0.014561 396 F 35 Z 0.058764 0.008186 0.023784 0.004970 -0.006659 397 F 35 X 0.029524 0.013186 0.038858 -0.006133 -0.021125 398 F 35 Y 0.037459 -0.033221 -0.070615 -0.030231 0.070810 399 F 35 Z 0.055203 -0.017243 0.011813 0.035949 0.021266 400 F 35 XX 0.017660 -0.001058 0.011496 -0.002134 -0.007041 401 F 35 YY -0.011199 0.001092 -0.006766 0.000307 0.001902 402 F 35 ZZ -0.006461 -0.000034 -0.004730 0.001827 0.005138 403 F 35 XY 0.006482 -0.002631 -0.005191 0.002704 0.000982 404 F 35 XZ -0.008642 -0.000736 -0.005369 0.002792 0.004123 405 F 35 YZ 0.004401 -0.002013 -0.005653 -0.001217 0.004301 406 F 36 S 0.018669 -0.001944 0.006069 0.007506 -0.002164 407 F 36 S 0.007618 0.001338 -0.003921 0.010094 0.000578 408 F 36 S -0.419567 0.059385 -0.183778 -0.123022 0.063108 409 F 36 X -0.037981 0.012830 -0.022119 0.019115 0.022761 410 F 36 Y 0.089156 -0.043894 -0.095469 0.010971 0.065626 411 F 36 Z 0.118232 0.000802 0.020475 0.029403 -0.015077 412 F 36 X -0.040733 0.003182 -0.010661 0.024087 0.032819 413 F 36 Y 0.079926 -0.041486 -0.086282 -0.029011 0.087475 414 F 36 Z -0.101067 0.009413 -0.055572 -0.028538 0.026463 415 F 36 XX 0.011290 -0.001380 0.004752 0.003472 -0.001009 416 F 36 YY 0.008163 0.000931 0.001919 0.000169 -0.002576 417 F 36 ZZ -0.019453 0.000449 -0.006671 -0.003642 0.003585 418 F 36 XY -0.001944 0.000362 0.000995 -0.002390 0.001258 419 F 36 XZ -0.005638 -0.000397 -0.002248 -0.000492 0.001757 420 F 36 YZ 0.000364 0.000236 0.000006 0.002523 -0.001917 421 C 37 S -0.018224 -0.008045 -0.045292 0.030187 0.009510 422 C 37 S -0.002504 0.039037 -0.111447 0.056460 0.038429 423 C 37 S 0.681474 -0.046743 -0.352186 -0.543499 0.875868 424 C 37 X 0.040339 0.059443 0.015512 -0.104287 0.111292 425 C 37 Y 0.048837 -0.212059 0.054643 0.013441 -0.080768 426 C 37 Z -0.024266 0.140005 -0.097181 -0.124743 -0.191092 427 C 37 X -0.410741 -0.538945 0.453529 0.738040 -0.941422 428 C 37 Y -0.049587 0.369090 0.081957 0.041279 0.003753 429 C 37 Z 0.106837 -0.359190 0.204372 0.323200 0.217125 430 C 37 XX -0.037038 -0.022092 -0.015136 -0.012229 -0.055379 431 C 37 YY 0.019164 -0.008124 -0.023206 0.006697 0.099761 432 C 37 ZZ 0.017873 0.030216 0.038341 0.005532 -0.044382 433 C 37 XY 0.027017 -0.008479 -0.015106 -0.027570 -0.015255 434 C 37 XZ -0.004727 -0.070176 -0.018452 0.013646 -0.013205 435 C 37 YZ -0.021343 -0.035211 -0.009193 -0.031685 0.029855 436 S 38 S 0.015267 -0.018954 -0.002696 -0.024539 -0.005576 437 S 38 S 0.112164 -0.135295 -0.019369 -0.182444 -0.039101 438 S 38 S 0.165876 -0.175480 -0.025149 -0.288805 -0.048680 439 S 38 S -0.216218 0.652370 -0.021271 0.261964 0.315291 440 S 38 X 0.003258 -0.005800 -0.035738 0.026706 0.000783 441 S 38 Y -0.021785 0.019445 0.006154 0.004208 0.009573 442 S 38 Z 0.017603 0.001024 0.057479 -0.008409 0.058659 443 S 38 X 0.005024 -0.045653 -0.170574 0.123317 -0.009517 444 S 38 Y -0.119860 0.100695 0.041293 0.034235 0.056842 445 S 38 Z 0.087553 0.001268 0.299236 -0.045279 0.303859 446 S 38 X -0.127137 0.313402 0.256383 0.025627 0.067572 447 S 38 Y 0.090210 -0.221900 -0.011004 0.089922 -0.335853 448 S 38 Z -0.082699 -0.003372 -0.274993 0.036667 -0.325443 449 S 38 XX 0.019833 0.031520 -0.077012 0.013580 -0.010969 450 S 38 YY -0.004504 -0.052781 0.042248 -0.101690 0.038569 451 S 38 ZZ -0.015330 0.021262 0.034764 0.088109 -0.027600 452 S 38 XY -0.033664 -0.062198 -0.059026 0.014422 -0.051953 453 S 38 XZ 0.147036 -0.121007 -0.033275 0.121300 -0.106605 454 S 38 YZ -0.027457 -0.221502 0.082235 0.061052 0.114922 455 S 38 XX 0.003062 0.000905 -0.011570 0.001992 -0.000488 456 S 38 YY 0.000039 -0.007131 0.006147 -0.013472 0.002736 457 S 38 ZZ -0.003100 0.006226 0.005423 0.011480 -0.002248 458 S 38 XY -0.005068 -0.009143 -0.006436 0.004536 -0.003676 459 S 38 XZ 0.019092 -0.016527 -0.005664 0.015644 -0.015412 460 S 38 YZ -0.003005 -0.029219 0.011477 0.007676 0.015114 461 H 39 S -0.140125 -0.094142 -0.025414 -0.033279 0.073812 462 H 39 S 0.306109 0.381055 -0.215232 -0.316383 0.513483 463 H 39 X -0.030559 -0.048702 -0.000269 0.015322 -0.032567 464 H 39 Y 0.004592 0.002818 0.005303 0.019775 -0.006980 465 H 39 Z 0.000183 -0.025376 -0.005363 0.025395 -0.002421 181 182 183 184 185 0.8096 0.8165 0.8282 0.8294 0.8369 A A A A A 1 C 1 S 0.006703 -0.007965 0.020607 0.012156 0.050194 2 C 1 S 0.013069 0.007767 0.071469 0.033628 0.129576 3 C 1 S -0.092969 -0.192295 -0.067318 -0.057707 -0.443671 4 C 1 X -0.017945 -0.001530 -0.029416 -0.039739 -0.044516 5 C 1 Y -0.017110 -0.120216 -0.126896 -0.005920 -0.146601 6 C 1 Z 0.009780 0.087153 -0.219947 0.015615 -0.000657 7 C 1 X -0.213937 0.022273 0.130972 0.021714 0.288999 8 C 1 Y -0.157784 0.314457 0.554266 -0.046424 0.096250 9 C 1 Z -0.186929 -0.245828 0.358447 -0.071751 0.042851 10 C 1 XX -0.016167 0.009826 0.030416 -0.014481 0.021958 11 C 1 YY 0.013844 -0.041078 -0.036413 0.014536 -0.015267 12 C 1 ZZ 0.002323 0.031252 0.005997 -0.000055 -0.006691 13 C 1 XY 0.032651 0.010484 0.014238 0.020971 0.067006 14 C 1 XZ 0.026980 0.003042 0.000969 -0.036323 0.037607 15 C 1 YZ 0.021374 0.030990 -0.010173 -0.020580 -0.018199 16 C 2 S -0.029946 -0.039974 0.038130 0.007903 0.057241 17 C 2 S -0.045887 -0.097867 0.074059 0.005764 0.161559 18 C 2 S 0.627238 0.584326 -0.306984 0.076442 0.367525 19 C 2 X -0.060358 -0.002799 -0.014446 -0.024163 -0.109781 20 C 2 Y -0.036530 -0.089056 0.023677 -0.017074 -0.204442 21 C 2 Z -0.301435 -0.032202 -0.131401 -0.085785 0.051922 22 C 2 X 0.008113 0.023446 -0.055934 0.223727 0.474711 23 C 2 Y 0.787916 0.466973 -0.309041 0.164423 1.014744 24 C 2 Z 0.644469 0.238713 0.108754 0.157086 -0.065810 25 C 2 XX 0.004937 -0.019788 0.000202 0.006993 -0.008390 26 C 2 YY -0.014229 0.036935 0.003187 0.004017 0.015267 27 C 2 ZZ 0.009292 -0.017147 -0.003389 -0.011010 -0.006876 28 C 2 XY -0.004246 -0.010337 -0.040017 0.005555 -0.098920 29 C 2 XZ -0.003822 0.006959 -0.019014 0.028202 -0.028990 30 C 2 YZ -0.038560 -0.010827 0.002407 -0.019197 0.009190 31 C 3 S 0.013527 0.031496 -0.010418 0.042341 0.026189 32 C 3 S 0.027184 0.093751 -0.038856 0.097733 0.069624 33 C 3 S -0.348234 -0.276229 0.540410 -0.282581 -0.541665 34 C 3 X 0.052764 0.090460 -0.002689 0.089320 0.022772 35 C 3 Y 0.098778 0.012270 -0.066042 0.044637 -0.030362 36 C 3 Z 0.118008 0.062754 0.120447 -0.041903 -0.085003 37 C 3 X -0.248480 -0.409692 0.255531 -0.973285 -0.269332 38 C 3 Y 0.897335 0.573722 0.044034 -0.081597 0.447121 39 C 3 Z -0.358396 -0.307308 -0.097947 -0.190597 0.152983 40 C 3 XX 0.003813 0.022560 0.003006 -0.014689 0.032763 41 C 3 YY -0.027959 -0.048232 0.011769 -0.014275 -0.053344 42 C 3 ZZ 0.024146 0.025672 -0.014774 0.028963 0.020581 43 C 3 XY -0.008776 -0.020488 -0.019862 -0.049025 0.047692 44 C 3 XZ -0.006943 -0.016132 -0.008107 0.000705 -0.005246 45 C 3 YZ 0.067379 0.005040 0.031952 0.030224 -0.030428 46 C 4 S -0.035534 -0.053548 0.014630 -0.012092 0.004687 47 C 4 S -0.127483 -0.172201 0.067900 -0.010634 -0.001779 48 C 4 S -0.219218 0.971068 -0.079664 0.209249 0.357008 49 C 4 X 0.000710 0.045558 0.011828 0.122365 0.089160 50 C 4 Y -0.069188 -0.035231 0.001761 0.071885 -0.124703 51 C 4 Z 0.091225 -0.072036 -0.046185 -0.124485 0.013293 52 C 4 X 0.053811 -0.208090 0.045813 -0.793411 -0.035509 53 C 4 Y -0.133763 0.359696 0.418497 -0.631900 0.556190 54 C 4 Z -0.034425 0.341729 0.092366 0.233075 -0.148487 55 C 4 XX 0.006662 -0.051595 -0.027766 0.018177 -0.059704 56 C 4 YY -0.016388 0.041008 0.020471 -0.021354 0.047379 57 C 4 ZZ 0.009726 0.010588 0.007295 0.003177 0.012326 58 C 4 XY 0.021306 -0.010099 0.016839 0.047356 0.003767 59 C 4 XZ -0.027410 0.015630 -0.038746 0.015214 0.023200 60 C 4 YZ -0.003026 0.026064 0.014503 0.028167 -0.016606 61 S 5 S -0.007535 0.014429 0.017119 -0.013278 0.005478 62 S 5 S -0.055930 0.107838 0.126369 -0.096688 0.040805 63 S 5 S -0.087019 0.176386 0.191798 -0.136435 0.063895 64 S 5 S 0.165302 -0.169758 -0.342704 0.307841 -0.047757 65 S 5 X -0.017845 0.010463 0.010638 -0.006953 0.003212 66 S 5 Y -0.007221 0.018749 -0.001634 -0.019432 -0.035006 67 S 5 Z 0.015909 0.026620 -0.020052 -0.007098 0.004651 68 S 5 X -0.092313 0.045095 0.047335 -0.035889 0.017309 69 S 5 Y -0.030944 0.090568 -0.021427 -0.098991 -0.169823 70 S 5 Z 0.084619 0.140617 -0.109901 -0.029434 0.019181 71 S 5 X 0.086509 -0.086205 -0.034991 -0.041981 -0.088401 72 S 5 Y -0.040262 -0.019957 0.192022 0.277220 0.374195 73 S 5 Z -0.069369 -0.112551 0.044779 0.092134 0.009632 74 S 5 XX -0.035545 0.145773 0.067702 -0.064729 0.068269 75 S 5 YY 0.116112 -0.054742 -0.100383 -0.021489 -0.089190 76 S 5 ZZ -0.080567 -0.091031 0.032681 0.086219 0.020921 77 S 5 XY -0.062935 -0.054548 0.016805 0.029217 0.060364 78 S 5 XZ 0.066775 -0.024360 -0.004029 0.108631 -0.059734 79 S 5 YZ -0.075867 -0.107782 0.059607 0.155384 -0.084693 80 S 5 XX -0.003944 0.018626 0.007382 -0.008251 0.006989 81 S 5 YY 0.014922 -0.006900 -0.011950 -0.004281 -0.008810 82 S 5 ZZ -0.010978 -0.011726 0.004568 0.012531 0.001821 83 S 5 XY -0.008311 -0.006640 0.005209 0.007645 0.012251 84 S 5 XZ 0.008838 -0.002960 -0.001591 0.014693 -0.006585 85 S 5 YZ -0.009170 -0.012681 0.006235 0.019435 -0.012073 86 H 6 S -0.003085 0.018987 -0.020867 0.027575 -0.054425 87 H 6 S 0.287232 0.138161 0.034892 0.122590 0.858731 88 H 6 X 0.008402 -0.003780 0.004381 -0.006025 0.044231 89 H 6 Y 0.012520 0.003758 0.017399 0.005345 0.071922 90 H 6 Z 0.016107 0.009878 0.003578 -0.004940 0.005919 91 C 7 S -0.042207 0.018889 0.050713 -0.008714 -0.026433 92 C 7 S -0.123957 0.043452 0.135270 -0.044404 -0.098756 93 C 7 S -0.765038 0.567646 -0.635946 0.130170 -0.673091 94 C 7 X -0.039609 -0.002121 -0.000716 0.110676 0.069949 95 C 7 Y 0.108966 0.106770 -0.072888 -0.191966 -0.062163 96 C 7 Z 0.049797 -0.049928 0.050444 0.021898 -0.096515 97 C 7 X 0.282966 -0.173991 0.034876 0.154463 -0.124162 98 C 7 Y 0.415506 -0.713305 0.557417 0.893122 0.499679 99 C 7 Z -0.178790 0.067082 -0.121261 -0.123963 0.207764 100 C 7 XX -0.006916 0.051720 -0.023244 0.024974 -0.065699 101 C 7 YY -0.016251 0.003389 -0.026523 0.022435 0.048575 102 C 7 ZZ 0.023168 -0.055109 0.049767 -0.047409 0.017125 103 C 7 XY -0.028672 -0.006303 0.030054 -0.016939 -0.016865 104 C 7 XZ -0.007049 -0.003812 -0.003614 0.007647 0.015081 105 C 7 YZ 0.025656 0.017771 0.021417 -0.020123 0.012935 106 C 8 S -0.031974 -0.019710 0.070088 -0.021056 -0.008723 107 C 8 S -0.077458 -0.041497 0.156912 -0.065858 -0.062553 108 C 8 S 0.406784 -0.012357 -0.585606 -0.189630 -0.097181 109 C 8 X -0.108061 -0.000002 0.049146 -0.104416 -0.249518 110 C 8 Y -0.023757 -0.047932 -0.016094 0.000981 -0.080719 111 C 8 Z 0.122787 -0.160079 0.113583 -0.011574 -0.110744 112 C 8 X 0.295645 -0.115200 0.074687 0.502551 0.863858 113 C 8 Y -0.121855 0.500246 0.620291 0.031658 0.599873 114 C 8 Z -0.119873 0.154410 -0.081034 -0.065334 0.352168 115 C 8 XX -0.022858 -0.024426 0.044224 -0.007647 -0.017861 116 C 8 YY 0.028523 0.019492 -0.045649 -0.000706 0.011842 117 C 8 ZZ -0.005665 0.004934 0.001425 0.008352 0.006019 118 C 8 XY 0.015339 0.022883 -0.024787 0.035549 0.057609 119 C 8 XZ -0.017915 -0.041719 -0.010347 -0.008892 0.007524 120 C 8 YZ 0.002268 0.002553 0.012266 -0.045611 0.043744 121 C 9 S 0.006644 0.031370 0.032119 -0.019540 0.018068 122 C 9 S 0.064736 0.082220 0.051246 -0.071023 0.064087 123 C 9 S 0.302496 -0.151033 -0.683979 0.267331 -0.408376 124 C 9 X -0.140103 -0.107977 0.140194 -0.120565 0.058306 125 C 9 Y -0.102069 -0.149917 0.034932 0.013605 -0.118374 126 C 9 Z -0.123738 0.134895 -0.119578 0.032758 -0.027932 127 C 9 X 0.387193 0.794433 -0.741254 0.315739 -0.345458 128 C 9 Y 0.360228 0.581372 -0.234709 -0.759211 0.668095 129 C 9 Z 0.914638 -0.609278 0.052311 0.043147 -0.065864 130 C 9 XX 0.003793 0.018965 0.021743 -0.022701 0.062321 131 C 9 YY 0.016640 -0.022848 -0.022435 0.019334 -0.053789 132 C 9 ZZ -0.020433 0.003884 0.000692 0.003367 -0.008532 133 C 9 XY 0.012998 0.026866 -0.052485 -0.033396 -0.034787 134 C 9 XZ 0.057378 0.019828 0.029929 -0.043097 -0.013115 135 C 9 YZ 0.030043 0.004499 -0.012552 0.006548 -0.014008 136 C 10 S -0.020569 0.062733 -0.001126 0.005559 -0.008071 137 C 10 S 0.001464 0.137577 -0.039180 0.011949 -0.007170 138 C 10 S 0.979036 -1.093445 0.278937 -0.031367 0.281896 139 C 10 X 0.056985 -0.050585 -0.060210 0.076696 -0.049013 140 C 10 Y -0.141176 0.084905 0.124847 0.036307 -0.006008 141 C 10 Z -0.163736 -0.216750 -0.061339 -0.064619 -0.051651 142 C 10 X 1.058993 0.582434 0.718896 0.737402 0.196177 143 C 10 Y -0.204133 -0.999639 -0.425423 -0.101226 0.641292 144 C 10 Z -0.107691 0.114438 0.134145 -0.105671 -0.071018 145 C 10 XX 0.006870 -0.081053 -0.021320 0.010907 0.037396 146 C 10 YY -0.009258 0.073324 0.043294 -0.015792 -0.034775 147 C 10 ZZ 0.002388 0.007729 -0.021974 0.004885 -0.002621 148 C 10 XY 0.006569 0.017385 0.004148 -0.024750 -0.002772 149 C 10 XZ 0.031805 0.019559 -0.011524 0.016828 -0.013709 150 C 10 YZ 0.006144 0.023008 -0.011310 -0.013736 0.029224 151 C 11 S 0.009158 0.020578 -0.013392 -0.030955 0.059497 152 C 11 S -0.010208 0.044861 0.003864 -0.058043 0.161698 153 C 11 S -0.569294 -0.530490 0.365083 0.042608 0.061718 154 C 11 X 0.020060 0.012229 0.101733 0.050321 -0.143073 155 C 11 Y -0.084805 0.074071 0.129494 0.054672 -0.080555 156 C 11 Z 0.065247 -0.081841 0.168865 0.008273 -0.062323 157 C 11 X -0.808379 -0.721912 -0.762398 -0.955659 0.141916 158 C 11 Y -0.827618 -0.702368 -0.707720 -0.047882 0.521380 159 C 11 Z 0.128875 0.169353 -0.270993 0.130549 0.101548 160 C 11 XX -0.013786 0.024310 0.023613 0.006139 0.004289 161 C 11 YY 0.025450 -0.028001 -0.056261 -0.016969 0.020065 162 C 11 ZZ -0.011664 0.003691 0.032649 0.010831 -0.024354 163 C 11 XY 0.025555 0.017104 0.023348 0.037885 -0.004266 164 C 11 XZ 0.006254 0.025410 0.011797 0.003151 -0.016485 165 C 11 YZ -0.011964 -0.017984 -0.003871 0.029512 -0.031980 166 C 12 S -0.014063 0.036500 0.098228 0.039969 0.014645 167 C 12 S -0.018349 0.080083 0.219314 0.092200 0.003714 168 C 12 S 0.489763 -0.213334 -0.781310 -0.427194 -0.142910 169 C 12 X 0.004853 -0.199931 -0.045817 -0.058638 0.053902 170 C 12 Y -0.021101 -0.120405 0.073691 -0.017575 -0.138867 171 C 12 Z -0.176648 -0.016167 0.096827 0.012851 -0.019245 172 C 12 X 0.520821 1.683305 0.895353 0.899519 -0.392481 173 C 12 Y 0.015155 0.528766 -0.067092 0.146517 -0.009638 174 C 12 Z 0.488563 0.267961 -0.101707 0.162835 0.207692 175 C 12 XX -0.031879 0.053407 0.053153 0.007246 0.004763 176 C 12 YY -0.020535 -0.023264 -0.026985 -0.025263 -0.007052 177 C 12 ZZ 0.052415 -0.030143 -0.026168 0.018018 0.002288 178 C 12 XY -0.000484 -0.044000 -0.044864 -0.019454 0.034578 179 C 12 XZ -0.023859 -0.038458 -0.022767 -0.026133 -0.007906 180 C 12 YZ 0.032887 -0.020324 -0.019666 -0.015243 0.011328 181 C 13 S -0.008483 -0.032976 0.024525 0.018424 0.014131 182 C 13 S -0.028834 -0.079910 0.056101 0.036266 0.032103 183 C 13 S -0.168978 0.416302 -0.287750 -0.233640 0.019863 184 C 13 X 0.074210 0.067837 0.008287 0.022596 0.088116 185 C 13 Y 0.076868 -0.233558 -0.349857 -0.205638 -0.009849 186 C 13 Z -0.127220 0.076983 -0.075835 -0.155109 0.099544 187 C 13 X -0.301184 -0.277261 -0.151410 -0.230365 0.145647 188 C 13 Y 0.317877 1.694290 1.768494 1.408407 -0.145194 189 C 13 Z 0.242596 -0.023037 0.284104 0.509444 -0.261930 190 C 13 XX 0.018602 -0.020556 0.007021 0.013150 -0.016106 191 C 13 YY 0.005531 0.003407 -0.005861 -0.000909 0.013568 192 C 13 ZZ -0.024133 0.017149 -0.001160 -0.012242 0.002538 193 C 13 XY 0.048127 0.059492 0.020981 0.053138 0.013764 194 C 13 XZ -0.006264 0.009664 -0.002720 0.004470 -0.003254 195 C 13 YZ -0.009050 0.033978 0.024589 0.022433 0.007847 196 C 14 S 0.036389 -0.031561 -0.072465 -0.040750 0.062692 197 C 14 S 0.082994 -0.068145 -0.155804 -0.084775 0.116349 198 C 14 S -0.483492 0.444616 0.531211 0.292311 -0.112563 199 C 14 X 0.000709 0.060904 0.089995 0.070478 -0.011875 200 C 14 Y -0.032235 0.034962 -0.007531 -0.034396 0.008225 201 C 14 Z 0.155341 0.012345 -0.049954 0.104648 0.094663 202 C 14 X -0.504431 -0.990494 -1.213494 -1.024738 0.142519 203 C 14 Y 0.463735 0.180684 -0.010330 0.122240 -0.018541 204 C 14 Z -0.622415 -0.302402 -0.135587 -0.646280 -0.113199 205 C 14 XX 0.020716 -0.013421 -0.059621 -0.026327 0.049586 206 C 14 YY 0.003353 0.029107 0.032861 0.025480 -0.007995 207 C 14 ZZ -0.024069 -0.015686 0.026759 0.000847 -0.041591 208 C 14 XY -0.020136 -0.055980 -0.068986 -0.055378 0.025376 209 C 14 XZ 0.021872 0.000424 0.016544 0.014560 0.022527 210 C 14 YZ 0.029908 -0.007023 -0.025843 0.003631 0.006696 211 F 15 S 0.007577 -0.002406 -0.012272 -0.006878 0.007119 212 F 15 S -0.011568 0.001411 -0.008720 -0.019508 0.013849 213 F 15 S -0.235352 0.074741 0.241766 0.050918 -0.084306 214 F 15 X -0.008683 -0.072774 -0.031550 -0.017436 0.009375 215 F 15 Y -0.011787 -0.020447 0.053621 0.032390 -0.048175 216 F 15 Z -0.055949 0.002188 0.045130 0.012375 -0.016118 217 F 15 X -0.064607 -0.106247 -0.008866 -0.043375 0.027623 218 F 15 Y 0.018254 -0.027869 0.020926 0.009314 0.011981 219 F 15 Z 0.082800 -0.051716 -0.081424 -0.009327 0.010471 220 F 15 XX 0.004978 -0.002232 -0.003572 -0.000487 0.003144 221 F 15 YY 0.005255 -0.000641 -0.005357 -0.000280 -0.000703 222 F 15 ZZ -0.010233 0.002873 0.008929 0.000767 -0.002441 223 F 15 XY 0.002565 0.001396 0.000656 0.002125 0.000403 224 F 15 XZ 0.003402 -0.000573 -0.001965 0.000508 0.001525 225 F 15 YZ -0.001545 0.002318 0.003684 0.002967 0.000521 226 F 16 S -0.001234 -0.003845 -0.014763 -0.005383 0.005865 227 F 16 S 0.011673 -0.003448 -0.021917 -0.000192 0.029976 228 F 16 S 0.104364 0.066019 0.202929 0.123571 0.039229 229 F 16 X -0.018484 0.027125 0.024650 0.007456 0.037919 230 F 16 Y -0.002458 0.016857 0.071300 0.048567 -0.008702 231 F 16 Z -0.046057 0.010449 0.039980 0.011755 -0.003159 232 F 16 X -0.016027 -0.108598 -0.014916 -0.039824 0.025688 233 F 16 Y -0.054231 -0.060540 -0.039553 -0.058563 -0.063292 234 F 16 Z -0.021843 0.009783 0.070112 0.031901 0.011545 235 F 16 XX -0.001346 -0.004657 -0.003381 -0.000752 0.002477 236 F 16 YY 0.002585 0.004315 0.006596 0.002429 -0.003128 237 F 16 ZZ -0.001240 0.000342 -0.003216 -0.001677 0.000651 238 F 16 XY -0.002638 0.006067 0.003828 0.000488 -0.000200 239 F 16 XZ 0.002564 0.004680 0.003024 0.002096 -0.000875 240 F 16 YZ -0.002893 0.003205 -0.002352 -0.000224 0.002634 241 F 17 S -0.000022 0.007486 0.009810 0.010369 0.003633 242 F 17 S 0.004436 0.013085 0.008399 0.010422 0.014317 243 F 17 S 0.017624 -0.101994 -0.167370 -0.191210 0.005716 244 F 17 X 0.000776 -0.021670 -0.054464 -0.035637 0.048089 245 F 17 Y -0.028611 0.040260 0.058934 0.037857 0.038056 246 F 17 Z 0.044198 -0.003940 -0.028584 0.008809 0.008337 247 F 17 X 0.017868 0.042178 0.052693 0.058593 -0.004283 248 F 17 Y -0.028494 -0.023931 -0.041768 -0.059393 0.003260 249 F 17 Z 0.072934 -0.015008 -0.062328 -0.013973 0.027223 250 F 17 XX 0.003058 0.002461 0.002311 0.003877 -0.002605 251 F 17 YY -0.000825 -0.003024 -0.004262 -0.004834 0.001140 252 F 17 ZZ -0.002234 0.000563 0.001950 0.000957 0.001464 253 F 17 XY 0.000627 0.003360 0.007876 0.004991 -0.005361 254 F 17 XZ -0.001597 -0.000824 -0.001543 -0.002444 -0.000892 255 F 17 YZ -0.000262 -0.001260 -0.000918 -0.001940 -0.000449 256 F 18 S -0.016406 0.003962 0.007501 -0.008767 0.002857 257 F 18 S -0.010616 0.011267 0.000293 -0.017079 0.025877 258 F 18 S 0.308817 -0.023240 -0.175450 0.093848 0.108797 259 F 18 X 0.020767 0.005187 0.037289 0.026346 -0.013802 260 F 18 Y -0.073727 0.026333 0.038159 -0.020224 0.032479 261 F 18 Z 0.046564 -0.002486 -0.017655 0.024336 0.030723 262 F 18 X 0.065596 0.046148 0.032591 0.072101 0.019177 263 F 18 Y -0.000161 -0.003441 -0.010089 0.009914 0.015469 264 F 18 Z -0.087099 0.017868 0.079121 0.017576 -0.046647 265 F 18 XX -0.003877 0.001225 0.002460 -0.000883 -0.003388 266 F 18 YY -0.002039 -0.000725 0.001947 -0.000357 -0.003333 267 F 18 ZZ 0.005916 -0.000499 -0.004407 0.001240 0.006721 268 F 18 XY 0.001788 0.002274 0.000315 0.001987 0.001549 269 F 18 XZ -0.002875 -0.000165 0.000450 -0.001409 -0.002384 270 F 18 YZ -0.007985 0.001379 0.006226 -0.000663 -0.003329 271 C 19 S 0.003574 0.020233 -0.013714 0.018457 0.046944 272 C 19 S 0.017483 0.047645 -0.063161 0.078091 0.162711 273 C 19 S -0.069635 -0.282693 -0.186370 -0.156474 -0.611236 274 C 19 X -0.024140 -0.147115 0.035814 0.301247 0.073025 275 C 19 Y -0.066557 0.088604 -0.018551 -0.149133 -0.197775 276 C 19 Z 0.133076 -0.189208 0.233182 -0.330272 0.256535 277 C 19 X -0.003448 0.434501 0.012598 -0.479648 0.126819 278 C 19 Y 0.257974 -0.058364 0.012406 0.369364 0.652500 279 C 19 Z -0.091171 0.357649 -0.358153 0.709190 -0.570466 280 C 19 XX -0.006933 0.087134 -0.003301 -0.162130 -0.072311 281 C 19 YY 0.010966 -0.055406 0.018372 -0.001892 -0.008112 282 C 19 ZZ -0.004034 -0.031728 -0.015071 0.164021 0.080423 283 C 19 XY -0.021242 -0.022585 -0.000191 0.044287 0.013469 284 C 19 XZ 0.039501 -0.031845 0.037601 -0.034750 0.009392 285 C 19 YZ -0.088150 0.100502 -0.103739 0.114445 -0.112340 286 H 20 S -0.028638 0.121133 0.107430 -0.407058 -0.351741 287 H 20 S 0.023605 -0.490730 -0.038485 0.862577 0.377934 288 H 20 X -0.011519 0.060050 0.013130 -0.149062 -0.096400 289 H 20 Y -0.023715 -0.006999 0.003040 0.033309 0.009975 290 H 20 Z 0.032959 -0.024008 0.032337 -0.023920 0.008985 291 H 21 S 0.123440 -0.182474 0.225305 -0.071049 0.037868 292 H 21 S -0.358386 0.603354 -0.448755 0.170676 -0.692422 293 H 21 X -0.029313 0.009516 -0.031988 0.047993 0.018708 294 H 21 Y 0.041067 -0.063963 0.061774 -0.072448 0.045875 295 H 21 Z -0.027525 0.070889 -0.066203 0.000913 -0.063390 296 C 22 S 0.002121 -0.018812 -0.028287 0.001447 -0.012318 297 C 22 S 0.015210 -0.058990 -0.100201 -0.006979 -0.072876 298 C 22 S -0.019829 0.164000 0.311554 -0.032357 0.035641 299 C 22 X -0.203035 0.155657 0.215522 -0.070634 0.044152 300 C 22 Y -0.096870 -0.040031 0.035364 0.008106 -0.026777 301 C 22 Z -0.255715 -0.168113 -0.120425 -0.106435 0.202326 302 C 22 X 0.409746 -0.406552 -0.558216 0.212187 -0.193264 303 C 22 Y 0.272900 0.115223 0.034459 0.092309 0.217046 304 C 22 Z 0.456082 0.438621 0.085577 0.184080 -0.402055 305 C 22 XX -0.012266 -0.016291 0.020376 0.023059 0.002808 306 C 22 YY -0.045674 0.059907 0.065857 -0.021540 0.023815 307 C 22 ZZ 0.057940 -0.043616 -0.086233 -0.001519 -0.026623 308 C 22 XY -0.084526 0.013352 0.046105 -0.007622 0.024667 309 C 22 XZ 0.127796 0.051123 0.078276 0.043108 -0.077370 310 C 22 YZ -0.031893 -0.020424 0.003976 -0.011063 0.032538 311 H 23 S -0.139497 0.087295 0.226326 0.083985 0.258036 312 H 23 S 0.561453 -0.203745 -0.521852 0.107867 -0.178659 313 H 23 X 0.056494 -0.003524 -0.052172 -0.005256 -0.019226 314 H 23 Y 0.061988 -0.054194 -0.077836 0.010100 -0.050677 315 H 23 Z -0.031658 -0.004557 -0.032962 -0.013060 0.010827 316 H 24 S 0.221207 0.038099 0.121501 0.088999 0.018275 317 H 24 S -0.688850 -0.083963 0.015629 -0.253504 0.432691 318 H 24 X 0.072190 0.021956 0.037877 0.044681 -0.027257 319 H 24 Y -0.041037 -0.017678 0.030899 -0.006855 0.025084 320 H 24 Z 0.084247 0.009598 0.004443 0.028259 -0.025349 321 H 25 S -0.117147 -0.034248 -0.096123 -0.042822 0.173008 322 H 25 S 0.236289 0.436500 0.499266 0.113052 -0.272165 323 H 25 X -0.065421 -0.041938 -0.024066 -0.010295 0.057998 324 H 25 Y -0.003922 0.027897 -0.006316 0.005454 -0.002888 325 H 25 Z 0.015703 0.047094 0.055357 0.012343 -0.054569 326 C 26 S -0.018721 0.011905 -0.015480 0.033412 -0.029525 327 C 26 S -0.025390 0.006009 -0.059457 0.089697 -0.085617 328 C 26 S 0.606282 -0.327291 0.184255 -0.205627 0.156749 329 C 26 X -0.063617 -0.113335 0.004070 0.004730 0.157718 330 C 26 Y 0.033024 0.110282 -0.037609 -0.166626 0.195149 331 C 26 Z -0.127923 0.016530 0.019577 0.086805 -0.071913 332 C 26 X 0.048377 0.103201 0.087946 -0.150222 -0.396344 333 C 26 Y -0.010963 -0.291714 -0.040235 0.585313 -0.578187 334 C 26 Z 0.277843 -0.012058 -0.011811 -0.151233 0.236109 335 C 26 XX -0.026970 0.114919 -0.051044 -0.019437 0.038211 336 C 26 YY -0.050318 -0.068439 0.042072 0.024004 -0.028221 337 C 26 ZZ 0.077289 -0.046480 0.008971 -0.004567 -0.009990 338 C 26 XY -0.050944 -0.015063 -0.025075 -0.030127 0.062683 339 C 26 XZ -0.039004 -0.037528 -0.022263 0.040744 0.033950 340 C 26 YZ 0.025867 0.041267 -0.002445 -0.041603 0.072421 341 H 27 S -0.166970 0.130971 -0.049394 -0.001763 0.096270 342 H 27 S 0.218688 -0.081946 0.022343 0.256991 -0.554104 343 H 27 X 0.032917 -0.031625 0.012840 0.025318 -0.062957 344 H 27 Y 0.029789 0.023849 -0.030764 0.031471 -0.050604 345 H 27 Z -0.018268 -0.017634 0.024687 -0.013212 -0.050076 346 H 28 S -0.095562 -0.115303 0.156306 0.000543 -0.059791 347 H 28 S -0.023601 0.486518 -0.185945 -0.416318 0.478112 348 H 28 X -0.006560 -0.015094 0.002173 -0.027223 0.016869 349 H 28 Y -0.030452 -0.038767 0.043206 0.033194 -0.034381 350 H 28 Z 0.021115 0.030142 -0.002473 -0.025434 0.037973 351 H 29 S -0.010033 0.227452 0.031665 -0.011974 0.082105 352 H 29 S -0.162541 -0.409676 -0.040363 0.260371 0.058301 353 H 29 X 0.003655 0.080752 -0.006976 -0.016288 0.000239 354 H 29 Y -0.013560 -0.006141 -0.020013 -0.002031 0.011245 355 H 29 Z -0.017737 -0.012701 -0.032317 0.039502 0.002018 356 C 30 S 0.003746 0.071096 -0.006935 0.015119 -0.009950 357 C 30 S 0.010797 0.196658 -0.038518 0.075861 -0.020802 358 C 30 S 0.006486 -0.490146 -0.102533 -0.073667 0.093760 359 C 30 X -0.003654 0.172724 -0.156359 0.005577 0.030474 360 C 30 Y 0.040612 0.062911 0.086529 0.057657 0.023837 361 C 30 Z -0.021936 -0.166920 -0.010762 -0.023751 -0.026016 362 C 30 X -0.014067 -0.229773 0.243281 0.024931 -0.086710 363 C 30 Y -0.171556 -0.214551 -0.349426 0.011116 -0.121305 364 C 30 Z 0.036272 0.453779 0.092285 0.034454 0.181735 365 C 30 XX -0.022462 0.031203 -0.043517 -0.025319 0.005375 366 C 30 YY 0.013312 -0.012626 0.046564 0.017846 -0.001833 367 C 30 ZZ 0.009150 -0.018577 -0.003047 0.007473 -0.003542 368 C 30 XY -0.027165 -0.092466 0.067013 0.015289 -0.009642 369 C 30 XZ 0.014818 -0.023402 0.032631 -0.020129 -0.010555 370 C 30 YZ -0.021009 -0.033487 -0.049214 -0.006832 -0.009383 371 H 31 S 0.041529 -0.099278 0.131864 -0.061277 -0.023210 372 H 31 S -0.210008 -0.037276 -0.443899 -0.037482 -0.086898 373 H 31 X 0.016379 0.037850 -0.017267 -0.010746 0.000732 374 H 31 Y -0.014862 0.007221 -0.051329 -0.003200 -0.000336 375 H 31 Z 0.012419 0.014678 0.022353 -0.008879 0.016786 376 H 32 S 0.028161 0.123678 -0.078046 -0.167620 -0.001212 377 H 32 S -0.018144 -0.368090 0.477037 0.149943 -0.194444 378 H 32 X 0.009437 -0.044018 0.046332 0.031658 -0.022381 379 H 32 Y 0.020747 0.016247 -0.020081 -0.013865 -0.000563 380 H 32 Z -0.018506 -0.017570 -0.018565 0.001785 -0.020115 381 H 33 S -0.105538 -0.117615 0.125592 -0.049682 -0.031276 382 H 33 S 0.294309 0.332090 -0.098850 0.025752 0.074283 383 H 33 X -0.013395 -0.042409 0.024776 -0.041488 -0.001171 384 H 33 Y -0.022496 -0.067880 0.038877 -0.000667 -0.016037 385 H 33 Z 0.005510 -0.029318 0.007187 0.002958 -0.007901 386 H 34 S -0.187876 0.040268 -0.038606 0.162911 -0.120498 387 H 34 S 0.241885 -0.201742 0.382305 -0.962536 0.256877 388 H 34 X 0.030710 -0.039391 0.020266 0.013206 0.029758 389 H 34 Y -0.026114 0.021096 -0.037147 0.055761 -0.079493 390 H 34 Z -0.037544 0.008196 -0.030788 0.127458 -0.039473 391 F 35 S 0.006328 0.009419 -0.001637 0.002518 -0.000253 392 F 35 S 0.004995 0.023217 -0.007618 -0.001503 0.014941 393 F 35 S -0.127295 -0.075046 -0.004747 -0.075199 0.093689 394 F 35 X 0.038388 0.035516 -0.006393 0.010868 0.006568 395 F 35 Y 0.012465 0.013015 -0.025642 -0.010286 -0.017071 396 F 35 Z -0.017359 0.041444 -0.011241 -0.019941 0.011450 397 F 35 X -0.024482 0.008265 -0.000819 -0.015103 0.046005 398 F 35 Y -0.012194 -0.112524 -0.140528 -0.102169 0.019954 399 F 35 Z -0.004312 0.019471 -0.026391 -0.033222 -0.003337 400 F 35 XX -0.006557 -0.000232 0.000660 -0.002581 0.000689 401 F 35 YY 0.002929 -0.000462 0.000560 0.001792 0.000567 402 F 35 ZZ 0.003628 0.000694 -0.001220 0.000789 -0.001256 403 F 35 XY -0.001227 -0.006532 -0.005331 -0.004644 0.000669 404 F 35 XZ 0.002746 -0.000087 -0.000418 -0.000065 0.000681 405 F 35 YZ 0.000967 -0.004821 -0.005811 -0.002904 0.002615 406 F 36 S -0.004333 0.011626 -0.005101 -0.011410 0.010915 407 F 36 S -0.000950 0.018390 -0.005886 -0.015196 0.022102 408 F 36 S 0.103919 -0.143531 0.084827 0.179448 -0.105902 409 F 36 X 0.013918 0.057067 -0.005992 -0.015539 0.023187 410 F 36 Y 0.047889 -0.048332 -0.076082 -0.025492 0.020424 411 F 36 Z -0.027602 0.039636 -0.029985 -0.047840 0.032801 412 F 36 X 0.025500 0.007812 0.012505 0.021754 -0.032647 413 F 36 Y 0.002729 -0.107556 -0.153220 -0.096689 0.026296 414 F 36 Z 0.023805 -0.050910 0.011210 0.029274 -0.011217 415 F 36 XX -0.002624 0.002770 -0.000963 -0.002853 0.000248 416 F 36 YY -0.003009 0.003473 -0.001872 -0.003223 0.003055 417 F 36 ZZ 0.005634 -0.006243 0.002834 0.006076 -0.003303 418 F 36 XY -0.002957 -0.003428 -0.004435 -0.004349 -0.000562 419 F 36 XZ 0.000247 -0.001211 -0.000000 0.000143 0.001285 420 F 36 YZ -0.001624 -0.001179 -0.001903 -0.003193 -0.000869 421 C 37 S -0.007051 0.024761 0.041551 0.011257 -0.015289 422 C 37 S -0.030361 0.062242 0.124902 0.062137 -0.009391 423 C 37 S -0.695223 -0.284860 0.800989 0.123609 0.265287 424 C 37 X -0.051796 0.013089 0.145335 0.063146 0.122595 425 C 37 Y -0.041533 -0.025210 -0.008476 -0.012456 0.053389 426 C 37 Z 0.241362 -0.091546 0.139961 -0.108088 0.082325 427 C 37 X 0.606250 -0.002331 -0.914484 -0.570164 -0.480684 428 C 37 Y 0.128758 0.428187 -0.030149 -0.007381 -0.033464 429 C 37 Z -0.393096 0.331587 -0.197786 0.124884 -0.164851 430 C 37 XX 0.011212 -0.048757 -0.058654 0.034012 -0.020037 431 C 37 YY -0.041335 0.028618 0.088418 -0.054527 0.013698 432 C 37 ZZ 0.030123 0.020139 -0.029763 0.020515 0.006340 433 C 37 XY -0.033151 -0.033271 0.040678 -0.028760 -0.002157 434 C 37 XZ -0.038092 0.010689 0.008725 -0.000492 0.007940 435 C 37 YZ -0.028814 -0.019507 0.008390 0.025401 -0.033173 436 S 38 S -0.012263 0.007087 0.004079 -0.004265 -0.007872 437 S 38 S -0.089722 0.054890 0.029177 -0.033679 -0.057914 438 S 38 S -0.131466 0.097624 0.035757 -0.062189 -0.090830 439 S 38 S 0.160344 0.145616 -0.185397 -0.167348 0.267608 440 S 38 X -0.010054 -0.005808 0.018747 -0.033358 -0.031894 441 S 38 Y 0.022801 0.006051 0.004555 -0.029035 -0.034499 442 S 38 Z 0.037222 -0.022818 0.002096 0.011582 -0.014645 443 S 38 X -0.052275 -0.023655 0.073300 -0.181827 -0.186298 444 S 38 Y 0.118758 0.053096 0.006347 -0.181212 -0.167707 445 S 38 Z 0.190209 -0.118210 0.006904 0.058088 -0.077188 446 S 38 X 0.138370 -0.051722 -0.111227 0.466756 0.589554 447 S 38 Y -0.060921 -0.320440 0.013094 0.543960 0.344978 448 S 38 Z -0.159130 0.089164 0.030654 -0.024642 0.022680 449 S 38 XX -0.021762 -0.066248 0.055523 0.066501 0.068506 450 S 38 YY 0.004875 0.108567 -0.083450 -0.082995 0.004768 451 S 38 ZZ 0.016886 -0.042320 0.027927 0.016494 -0.073274 452 S 38 XY 0.020818 -0.107722 -0.078846 0.140693 -0.002344 453 S 38 XZ 0.117262 0.140092 0.111973 -0.043178 0.076765 454 S 38 YZ 0.079645 0.000183 -0.041084 0.051945 -0.041724 455 S 38 XX -0.004819 -0.007920 0.008421 0.002670 0.002169 456 S 38 YY 0.001454 0.011821 -0.011431 -0.003498 0.007538 457 S 38 ZZ 0.003365 -0.003901 0.003010 0.000828 -0.009707 458 S 38 XY 0.002063 -0.013711 -0.009576 0.021056 0.003690 459 S 38 XZ 0.014713 0.020036 0.013989 -0.005743 0.011256 460 S 38 YZ 0.011130 -0.000393 -0.004473 0.007877 -0.006546 461 H 39 S -0.040935 -0.093064 -0.043109 0.082361 -0.014065 462 H 39 S -0.325593 0.285132 0.605709 0.072951 0.157128 463 H 39 X 0.009214 -0.029382 -0.056409 -0.011573 -0.025364 464 H 39 Y 0.000523 -0.014589 0.014283 0.005134 0.035872 465 H 39 Z -0.007465 0.020928 0.003551 -0.010626 0.018513 186 187 188 189 190 0.8420 0.8489 0.8524 0.8551 0.8622 A A A A A 1 C 1 S 0.024448 -0.025821 -0.019863 0.007662 0.027776 2 C 1 S 0.065602 -0.066439 -0.030170 0.026364 0.087815 3 C 1 S -0.436797 0.583221 0.057667 0.231108 -0.356555 4 C 1 X -0.038756 -0.071401 -0.042314 -0.024765 -0.041630 5 C 1 Y -0.037729 0.090657 -0.047421 -0.069841 -0.226476 6 C 1 Z -0.057401 0.104353 -0.057128 0.110504 0.021120 7 C 1 X 0.384373 -0.045068 0.078310 0.027990 0.243867 8 C 1 Y 0.011262 0.105932 0.369230 0.381206 0.239479 9 C 1 Z -0.025898 -0.179913 0.230609 -0.194316 -0.057225 10 C 1 XX -0.015503 0.003134 -0.006274 0.030732 -0.003667 11 C 1 YY 0.008149 0.028439 -0.002974 -0.011196 -0.009327 12 C 1 ZZ 0.007354 -0.031573 0.009248 -0.019535 0.012994 13 C 1 XY 0.015059 -0.039589 -0.030828 0.005033 0.069484 14 C 1 XZ -0.006652 -0.023775 0.031962 0.048113 0.039669 15 C 1 YZ 0.047158 0.030634 -0.066220 0.009347 -0.028266 16 C 2 S 0.023150 -0.003555 -0.048187 0.016093 0.013884 17 C 2 S 0.068215 -0.043955 -0.117261 0.034658 0.044378 18 C 2 S 0.472068 -0.273034 0.338877 -0.487269 0.857285 19 C 2 X -0.091916 0.047602 -0.014867 -0.015319 -0.078710 20 C 2 Y -0.024495 0.167675 0.203139 0.015676 -0.011152 21 C 2 Z 0.041102 0.100500 -0.081032 -0.030338 -0.091505 22 C 2 X 0.517761 -0.406952 -0.131368 -0.202552 0.313329 23 C 2 Y 0.283298 -0.766457 -0.399048 -0.305775 0.657236 24 C 2 Z -0.018017 -0.088710 0.058553 0.088592 0.201624 25 C 2 XX 0.022974 0.019683 0.012786 0.002036 0.009327 26 C 2 YY -0.000903 -0.009879 -0.019641 -0.022897 -0.002711 27 C 2 ZZ -0.022071 -0.009805 0.006856 0.020861 -0.006616 28 C 2 XY -0.051866 0.023045 0.031534 -0.040670 -0.029860 29 C 2 XZ -0.003220 0.014906 -0.020443 -0.025900 -0.019576 30 C 2 YZ 0.005048 -0.005651 -0.026897 -0.010051 0.005132 31 C 3 S 0.017430 -0.044543 0.055364 -0.014656 -0.026210 32 C 3 S 0.013754 -0.073782 0.127538 -0.033699 -0.080982 33 C 3 S 0.089810 1.222049 0.293696 0.404155 -0.025735 34 C 3 X -0.023486 0.005106 0.089104 -0.043317 0.073482 35 C 3 Y -0.081482 -0.033036 0.171142 0.018143 -0.031906 36 C 3 Z 0.094161 0.095083 -0.149652 -0.048415 -0.008902 37 C 3 X -0.259406 -0.233558 -0.447662 0.570535 -0.305127 38 C 3 Y 0.364684 0.125890 0.234358 -0.233273 1.173680 39 C 3 Z -0.131307 -0.126129 0.173179 0.255381 -0.047282 40 C 3 XX 0.047082 -0.018106 -0.012165 -0.002447 0.005358 41 C 3 YY -0.004785 0.042906 0.044330 0.017799 -0.022596 42 C 3 ZZ -0.042296 -0.024801 -0.032165 -0.015352 0.017238 43 C 3 XY 0.019851 -0.019101 -0.047822 0.025843 -0.039473 44 C 3 XZ 0.026239 -0.019696 -0.001104 -0.028289 -0.038042 45 C 3 YZ 0.014885 0.007651 0.026761 -0.002932 -0.014288 46 C 4 S 0.018138 -0.019813 -0.042242 0.040563 -0.019555 47 C 4 S 0.064524 -0.035327 -0.113513 0.101388 -0.075889 48 C 4 S -0.020221 0.182125 0.274047 -0.826833 -0.101826 49 C 4 X -0.064387 0.049482 0.019832 0.041422 0.176493 50 C 4 Y -0.160366 -0.033199 -0.002479 -0.088257 -0.053972 51 C 4 Z -0.038411 0.025973 0.023027 0.179950 -0.143599 52 C 4 X 0.228103 0.138118 -0.069376 0.073606 -0.100832 53 C 4 Y 0.491343 -0.194927 -0.181298 0.368714 0.141907 54 C 4 Z -0.410837 0.148280 -0.365714 -0.328673 0.284195 55 C 4 XX -0.036157 0.018440 0.027708 0.007274 -0.060291 56 C 4 YY 0.038295 -0.025587 -0.018830 0.013865 0.013941 57 C 4 ZZ -0.002138 0.007147 -0.008878 -0.021139 0.046350 58 C 4 XY 0.012154 0.009533 -0.000155 -0.002361 -0.001246 59 C 4 XZ 0.021956 -0.008816 0.054521 -0.010285 0.046999 60 C 4 YZ 0.032749 -0.056904 0.009076 0.016117 0.008508 61 S 5 S -0.001910 -0.003469 0.010822 0.002066 -0.000201 62 S 5 S -0.013657 -0.025758 0.080345 0.014288 -0.000448 63 S 5 S -0.018313 -0.034953 0.134729 0.012801 0.008623 64 S 5 S -0.012063 -0.078213 -0.313213 -0.119535 0.008104 65 S 5 X 0.011522 0.004625 -0.005037 0.001595 0.012497 66 S 5 Y -0.021670 -0.027292 -0.002884 -0.024059 -0.048002 67 S 5 Z -0.003346 0.019130 0.006736 0.011223 0.003756 68 S 5 X 0.061247 0.017110 -0.049652 0.016086 0.054014 69 S 5 Y -0.111068 -0.157401 -0.031483 -0.146592 -0.237519 70 S 5 Z -0.020752 0.105275 0.035641 0.048488 0.025250 71 S 5 X -0.119025 0.044219 0.134957 0.034345 -0.155408 72 S 5 Y 0.174584 0.159042 0.047438 0.269513 0.559316 73 S 5 Z 0.055351 -0.091055 -0.050624 0.019374 0.027547 74 S 5 XX 0.068179 0.020349 0.073158 0.032296 0.021038 75 S 5 YY -0.105842 -0.001871 -0.086795 -0.046963 -0.056033 76 S 5 ZZ 0.037663 -0.018478 0.013637 0.014666 0.034995 77 S 5 XY 0.058489 0.001555 -0.007692 -0.018981 0.005107 78 S 5 XZ -0.052739 0.095968 -0.000551 -0.080735 -0.049137 79 S 5 YZ -0.106766 -0.081298 0.096128 -0.153501 0.010451 80 S 5 XX 0.006406 0.002461 0.011058 0.003719 0.000937 81 S 5 YY -0.011591 -0.000000 -0.012059 -0.004770 -0.005382 82 S 5 ZZ 0.005185 -0.002460 0.001001 0.001051 0.004445 83 S 5 XY 0.008541 0.000834 -0.001882 0.000546 0.006747 84 S 5 XZ -0.005420 0.012926 -0.000079 -0.008164 -0.005598 85 S 5 YZ -0.014729 -0.009997 0.011205 -0.020587 0.000484 86 H 6 S -0.036024 -0.052235 -0.058864 -0.099349 0.051230 87 H 6 S 0.428739 -0.455834 -0.226397 0.071073 0.425914 88 H 6 X 0.016533 -0.032128 -0.040288 0.009013 -0.001107 89 H 6 Y 0.026814 -0.027844 -0.019676 0.021887 0.021904 90 H 6 Z 0.006106 -0.000725 0.006242 0.015171 0.003010 91 C 7 S 0.006423 -0.049265 0.010867 -0.039876 -0.027536 92 C 7 S 0.022024 -0.125042 -0.006488 -0.095088 -0.056407 93 C 7 S 0.031652 -0.053948 -0.379921 -1.227594 -0.615784 94 C 7 X 0.080295 0.005349 0.000827 -0.041810 -0.238660 95 C 7 Y -0.045225 0.000934 -0.048316 0.010303 0.165505 96 C 7 Z 0.083065 -0.045335 -0.003252 -0.036798 -0.079396 97 C 7 X -1.312876 -0.102322 -0.023751 0.895634 0.205503 98 C 7 Y 0.120140 0.374182 0.713206 0.977221 0.327587 99 C 7 Z 0.058249 0.322916 -0.062042 -0.050833 0.217647 100 C 7 XX -0.019846 0.010122 0.019474 -0.045259 -0.022387 101 C 7 YY 0.019985 -0.003200 0.012065 -0.015783 -0.053416 102 C 7 ZZ -0.000139 -0.006922 -0.031540 0.061041 0.075804 103 C 7 XY 0.022093 -0.017192 -0.024580 -0.038231 -0.038330 104 C 7 XZ 0.016978 0.020646 -0.013403 -0.001548 0.023217 105 C 7 YZ 0.000815 -0.025974 0.008673 -0.003917 -0.018425 106 C 8 S -0.040031 -0.023720 -0.041626 0.009566 0.019753 107 C 8 S -0.100250 -0.069277 -0.080780 0.006130 0.058030 108 C 8 S 0.745287 0.228385 0.547519 0.099639 0.368736 109 C 8 X -0.104349 -0.066411 0.086268 -0.148965 0.063951 110 C 8 Y -0.020693 0.031802 0.007307 -0.022427 0.096096 111 C 8 Z -0.131118 0.031899 -0.012198 0.262203 -0.059871 112 C 8 X -0.099664 0.178170 -0.514470 0.371505 0.028322 113 C 8 Y -0.815143 -0.237773 -0.571791 0.088432 -0.265044 114 C 8 Z 0.194799 0.045665 0.031697 -0.683238 0.132354 115 C 8 XX -0.041551 -0.009945 -0.032843 -0.008517 0.045276 116 C 8 YY 0.058478 0.010843 0.021360 0.045354 -0.021074 117 C 8 ZZ -0.016927 -0.000898 0.011482 -0.036837 -0.024202 118 C 8 XY 0.036255 -0.007984 -0.009395 0.016018 -0.055608 119 C 8 XZ 0.043554 0.001799 0.011926 -0.084881 0.012980 120 C 8 YZ 0.042752 0.039816 0.015331 -0.075522 -0.024589 121 C 9 S -0.035725 -0.012817 0.023030 -0.010481 0.036613 122 C 9 S -0.071009 -0.041878 0.077759 -0.025236 0.100639 123 C 9 S 0.938045 0.363749 0.399303 -0.237789 -0.310132 124 C 9 X 0.022501 0.029252 -0.145921 0.066064 0.034481 125 C 9 Y 0.039464 0.032137 -0.075045 0.095799 0.066688 126 C 9 Z -0.011543 0.129363 -0.120810 -0.063970 0.052269 127 C 9 X -0.427580 -0.177046 0.352941 -0.377163 -0.406952 128 C 9 Y 1.053859 0.019198 0.473818 -0.391856 0.023911 129 C 9 Z 0.574774 -0.640725 0.682360 0.386191 -0.081631 130 C 9 XX 0.021502 -0.019986 0.016442 0.014046 -0.037217 131 C 9 YY 0.012166 -0.021987 0.043877 -0.013441 -0.005885 132 C 9 ZZ -0.033668 0.041973 -0.060319 -0.000605 0.043102 133 C 9 XY 0.012424 -0.010677 0.013049 0.010010 -0.006687 134 C 9 XZ -0.042404 -0.013052 0.001237 0.030473 0.018768 135 C 9 YZ 0.062411 0.008268 0.047162 0.032222 -0.005697 136 C 10 S -0.083723 -0.064447 0.011872 -0.023397 -0.069357 137 C 10 S -0.201645 -0.147100 0.069880 -0.043702 -0.129751 138 C 10 S -0.428806 -0.065417 0.649189 1.332086 1.418156 139 C 10 X 0.037972 -0.042477 0.020368 -0.091141 -0.103465 140 C 10 Y -0.035511 0.120011 -0.014421 -0.057063 -0.057156 141 C 10 Z 0.254823 0.026594 -0.136679 0.095165 0.016785 142 C 10 X -0.533206 0.861115 1.031504 1.123767 0.836740 143 C 10 Y -0.453184 -0.598984 -0.909832 0.709584 -0.749299 144 C 10 Z -0.269968 -0.294228 0.007239 -0.325809 -0.268272 145 C 10 XX -0.001198 -0.027939 0.003214 0.038882 -0.002889 146 C 10 YY -0.035839 0.000718 0.010684 0.001236 -0.022157 147 C 10 ZZ 0.037037 0.027221 -0.013898 -0.040118 0.025045 148 C 10 XY -0.041431 0.005925 0.017422 0.031475 0.013028 149 C 10 XZ 0.009519 0.014542 0.026715 -0.019924 0.011483 150 C 10 YZ -0.036273 -0.001603 0.005113 0.022110 -0.020715 151 C 11 S -0.055452 -0.044472 0.020127 0.068988 -0.077668 152 C 11 S -0.128812 -0.104226 0.013209 0.167491 -0.200988 153 C 11 S -0.387947 -0.733660 -1.133329 0.402353 -0.635833 154 C 11 X 0.090315 -0.071902 0.014823 -0.110953 0.117116 155 C 11 Y -0.040342 0.002555 -0.034676 -0.010319 -0.136919 156 C 11 Z -0.008925 0.100121 -0.113059 0.121046 -0.021199 157 C 11 X -0.074918 -0.560218 -0.803191 0.007618 -1.224024 158 C 11 Y 0.069309 -0.065986 -0.731876 -0.098563 -1.248372 159 C 11 Z 0.156691 -0.085284 0.138983 -0.159512 0.138831 160 C 11 XX -0.025293 -0.020568 0.013961 0.023899 -0.023650 161 C 11 YY -0.005881 -0.035029 -0.007031 0.017284 -0.033503 162 C 11 ZZ 0.031174 0.055597 -0.006930 -0.041184 0.057152 163 C 11 XY 0.027192 0.000830 0.014698 -0.011823 0.051047 164 C 11 XZ 0.007917 0.008629 0.004582 -0.016524 0.003485 165 C 11 YZ 0.058746 -0.005128 0.012922 -0.031888 0.010077 166 C 12 S -0.039766 -0.013116 -0.019722 0.044323 0.035345 167 C 12 S -0.074553 -0.027618 -0.038983 0.082560 0.081912 168 C 12 S 0.120037 0.199222 0.642237 -0.000642 0.124516 169 C 12 X 0.018440 -0.071196 -0.062406 0.054809 0.047458 170 C 12 Y 0.125993 0.002768 -0.030578 -0.089068 0.221764 171 C 12 Z 0.031294 -0.109991 -0.036220 -0.019943 -0.058327 172 C 12 X -0.260594 0.872761 0.718498 0.065290 0.134212 173 C 12 Y -0.199430 0.201045 0.391155 -0.119520 -0.158608 174 C 12 Z -0.197936 0.467659 -0.037945 0.169357 0.228514 175 C 12 XX -0.016571 0.016490 -0.012308 0.014654 0.004115 176 C 12 YY -0.010501 -0.037798 0.012379 -0.015522 -0.021976 177 C 12 ZZ 0.027072 0.021307 -0.000071 0.000868 0.017861 178 C 12 XY 0.013243 -0.018029 -0.017764 0.000972 -0.034052 179 C 12 XZ 0.015641 -0.018446 -0.011057 0.004348 -0.001188 180 C 12 YZ -0.001256 -0.010095 0.008833 0.017324 0.032444 181 C 13 S 0.039579 -0.055689 -0.019022 -0.030597 0.028269 182 C 13 S 0.087434 -0.117353 -0.040277 -0.064893 0.071121 183 C 13 S -0.546720 0.450382 0.128851 0.225252 -0.567540 184 C 13 X -0.059125 -0.023891 0.051589 0.129612 -0.061410 185 C 13 Y 0.042774 -0.121905 0.076590 -0.031160 0.031399 186 C 13 Z -0.216850 -0.008059 -0.087178 -0.036743 -0.060214 187 C 13 X -0.183617 -0.071105 -0.287205 -0.077438 -0.001888 188 C 13 Y -0.296515 0.806389 0.146796 0.131696 0.429825 189 C 13 Z 0.571095 0.004688 0.356131 0.067938 0.133499 190 C 13 XX 0.028617 -0.004906 0.023786 0.020923 0.004072 191 C 13 YY -0.010635 -0.001335 -0.008751 0.006931 -0.010683 192 C 13 ZZ -0.017982 0.006241 -0.015035 -0.027854 0.006611 193 C 13 XY -0.006766 0.036760 0.036403 0.013753 0.013304 194 C 13 XZ -0.006734 -0.010680 -0.002265 -0.018192 -0.014518 195 C 13 YZ -0.010699 0.011685 0.000550 0.008449 -0.026309 196 C 14 S 0.000971 -0.066650 0.021071 0.041618 0.013266 197 C 14 S 0.021940 -0.147243 0.043325 0.073941 0.026829 198 C 14 S -0.019921 0.365358 -0.482555 -0.180716 -0.746241 199 C 14 X 0.042938 -0.030982 -0.005808 -0.003639 0.055296 200 C 14 Y -0.085646 -0.067750 -0.063704 0.028584 -0.101005 201 C 14 Z 0.092076 -0.046380 0.060854 -0.018850 0.119927 202 C 14 X 0.079410 -0.286673 -0.314051 -0.064355 -0.958619 203 C 14 Y 0.068510 0.057985 0.371683 0.092474 0.364569 204 C 14 Z -0.401050 0.020498 -0.348080 0.080942 -0.467892 205 C 14 XX -0.028508 0.002606 0.020376 0.036935 -0.011590 206 C 14 YY 0.004982 -0.003732 0.006911 -0.011015 -0.001879 207 C 14 ZZ 0.023526 0.001126 -0.027287 -0.025920 0.013469 208 C 14 XY -0.000074 0.001667 -0.004122 0.016176 -0.044663 209 C 14 XZ -0.007527 0.006932 -0.006845 0.030047 -0.010616 210 C 14 YZ 0.019977 -0.012626 0.000130 -0.024175 0.014964 211 F 15 S -0.005573 0.001853 -0.002204 0.004011 0.003237 212 F 15 S -0.017602 -0.009074 -0.010110 0.011617 -0.000906 213 F 15 S 0.016698 -0.117205 -0.008887 -0.021300 -0.077014 214 F 15 X 0.042581 -0.006842 -0.009574 0.029748 0.022441 215 F 15 Y 0.054635 0.010407 -0.013784 -0.018410 0.013157 216 F 15 Z 0.018232 -0.022209 -0.007246 -0.005927 0.002606 217 F 15 X 0.024659 -0.066891 -0.045328 0.007859 -0.005529 218 F 15 Y 0.019924 -0.012442 -0.034684 0.020696 0.012008 219 F 15 Z 0.021381 0.017738 0.015449 -0.007345 0.024373 220 F 15 XX -0.001055 0.000518 -0.000690 0.000749 -0.000294 221 F 15 YY 0.001436 0.004666 0.002771 -0.000589 0.001145 222 F 15 ZZ -0.000381 -0.005184 -0.002082 -0.000160 -0.000851 223 F 15 XY 0.000313 0.001788 0.001658 0.003285 -0.000035 224 F 15 XZ 0.000948 0.002385 0.000549 0.001079 0.000451 225 F 15 YZ 0.000434 0.000121 -0.001176 0.001466 -0.003886 226 F 16 S -0.004012 -0.004680 0.007757 0.002186 -0.006035 227 F 16 S -0.014337 -0.003865 0.007164 0.024944 -0.008338 228 F 16 S -0.003638 0.089704 -0.130271 0.105247 0.115627 229 F 16 X -0.044628 0.009660 -0.009615 0.023992 0.004257 230 F 16 Y 0.025972 0.030761 -0.035229 0.006500 0.025427 231 F 16 Z 0.003377 -0.011492 -0.027660 -0.005581 -0.048699 232 F 16 X 0.026251 -0.039980 -0.056316 0.007393 0.035602 233 F 16 Y 0.020768 -0.046359 0.023883 -0.063055 0.005456 234 F 16 Z 0.007142 -0.018163 -0.034296 0.027668 -0.004201 235 F 16 XX 0.002713 -0.003658 -0.001013 0.000803 -0.006060 236 F 16 YY -0.001235 0.004360 -0.001037 0.000195 0.006520 237 F 16 ZZ -0.001478 -0.000703 0.002051 -0.000998 -0.000460 238 F 16 XY -0.004193 0.000613 0.001224 0.000149 -0.001827 239 F 16 XZ -0.002525 0.002380 0.001440 0.000403 0.002186 240 F 16 YZ -0.003148 -0.000090 -0.000006 0.000381 -0.008718 241 F 17 S 0.002587 0.000138 -0.001685 0.002919 -0.002189 242 F 17 S -0.006173 -0.003798 0.007145 0.024760 -0.004953 243 F 17 S -0.093917 -0.030510 0.078337 0.093956 0.018053 244 F 17 X -0.021572 -0.023812 -0.005229 0.023705 -0.007877 245 F 17 Y 0.002885 -0.004587 -0.031360 0.009808 -0.020627 246 F 17 Z 0.008616 -0.012963 0.014656 -0.009872 0.031738 247 F 17 X -0.006124 0.022510 0.017014 0.004367 0.043931 248 F 17 Y -0.055434 -0.010941 0.003361 0.039527 -0.028700 249 F 17 Z -0.000470 -0.025598 0.060807 0.037879 0.050001 250 F 17 XX 0.000898 -0.000090 0.001616 -0.001750 0.002241 251 F 17 YY -0.001050 -0.000849 -0.000604 0.001408 -0.000684 252 F 17 ZZ 0.000152 0.000939 -0.001012 0.000342 -0.001557 253 F 17 XY 0.001815 0.001667 0.000556 -0.001594 0.003586 254 F 17 XZ -0.000166 -0.001220 -0.000668 -0.000999 -0.001052 255 F 17 YZ 0.000257 0.001148 0.003206 0.002821 0.000617 256 F 18 S -0.013064 0.000859 -0.011235 0.005017 -0.015273 257 F 18 S -0.030161 -0.007015 -0.011837 0.020577 -0.027146 258 F 18 S 0.130076 -0.080556 0.189092 0.017014 0.181713 259 F 18 X 0.023551 0.016529 0.010885 0.028258 0.011881 260 F 18 Y -0.062420 -0.009976 -0.052538 0.022164 -0.073070 261 F 18 Z 0.027981 -0.012790 0.022551 0.002957 0.031877 262 F 18 X 0.002172 -0.004280 0.046582 0.009036 0.067402 263 F 18 Y 0.004701 0.002062 -0.011028 -0.011876 -0.007815 264 F 18 Z 0.002711 0.032548 -0.054007 -0.031555 -0.033259 265 F 18 XX -0.002543 0.000195 -0.000374 -0.000215 -0.001027 266 F 18 YY 0.000957 0.001359 -0.002594 -0.001401 -0.001010 267 F 18 ZZ 0.001586 -0.001554 0.002968 0.001616 0.002037 268 F 18 XY -0.000039 -0.000450 -0.000006 -0.002062 0.002972 269 F 18 XZ -0.002187 0.001595 -0.000002 0.000436 -0.001710 270 F 18 YZ -0.002720 0.003386 -0.004528 -0.000951 -0.004488 271 C 19 S 0.030174 0.001371 -0.017323 -0.010679 -0.054384 272 C 19 S 0.119980 0.017755 -0.036425 -0.014302 -0.192922 273 C 19 S 0.235478 0.037933 0.379072 -0.042090 0.271220 274 C 19 X -0.254725 0.018933 -0.060255 -0.102648 -0.014520 275 C 19 Y 0.063509 -0.052953 0.045276 0.112931 -0.068989 276 C 19 Z 0.088370 0.138373 0.177193 -0.452810 -0.139303 277 C 19 X 0.451263 -0.042863 0.099109 0.229270 -0.204130 278 C 19 Y -0.169222 0.108042 -0.193257 -0.157088 0.059501 279 C 19 Z -0.380208 -0.384361 -0.434059 1.393414 0.224706 280 C 19 XX 0.077490 -0.021459 0.006386 0.042643 0.008118 281 C 19 YY -0.016779 0.006829 0.016353 -0.039584 -0.012046 282 C 19 ZZ -0.060711 0.014630 -0.022739 -0.003059 0.003928 283 C 19 XY -0.009106 0.011384 0.008838 -0.028443 -0.043836 284 C 19 XZ -0.022688 0.006957 0.017794 0.016139 -0.022697 285 C 19 YZ -0.014257 -0.060643 -0.054877 0.137313 0.046770 286 H 20 S -0.110154 -0.102905 -0.033127 -0.029802 0.299093 287 H 20 S -0.359249 0.151238 -0.084236 -0.253612 -0.079534 288 H 20 X 0.042413 -0.024631 0.016854 0.029819 0.059448 289 H 20 Y -0.014482 0.003975 0.001662 -0.026613 -0.024943 290 H 20 Z -0.022574 0.004433 0.007955 0.022377 -0.014100 291 H 21 S -0.207559 0.021530 0.014824 -0.044765 0.142949 292 H 21 S 0.122365 -0.364981 -0.237247 0.896788 0.061792 293 H 21 X 0.023353 0.002158 -0.004258 -0.024142 -0.010973 294 H 21 Y -0.007993 0.026206 0.030115 -0.111705 0.019362 295 H 21 Z 0.051376 -0.032808 -0.019976 0.092508 -0.018059 296 C 22 S -0.001776 0.032719 0.012765 -0.007586 -0.037453 297 C 22 S -0.022210 0.105498 0.041927 -0.033274 -0.148139 298 C 22 S -0.016060 -0.119432 0.062370 0.168824 0.170459 299 C 22 X 0.074433 0.195290 0.374263 0.172022 -0.049680 300 C 22 Y 0.074328 0.194755 0.062262 0.096992 -0.111640 301 C 22 Z -0.259126 -0.182783 0.291524 0.104379 0.178085 302 C 22 X -0.184701 -0.275317 -0.764060 -0.417998 0.107821 303 C 22 Y -0.141533 -0.407101 -0.146598 -0.116672 0.413287 304 C 22 Z 0.591758 0.469269 -0.783011 -0.134613 -0.391393 305 C 22 XX 0.030798 0.057509 0.020343 0.021622 0.020773 306 C 22 YY 0.026366 0.028449 0.081740 0.040009 -0.010705 307 C 22 ZZ -0.057164 -0.085958 -0.102083 -0.061630 -0.010067 308 C 22 XY 0.031869 0.072420 0.073181 0.058278 -0.019260 309 C 22 XZ 0.095266 0.065119 -0.091371 -0.047313 -0.059488 310 C 22 YZ -0.030740 -0.021331 0.062631 0.019264 0.030188 311 H 23 S 0.167665 0.058299 0.093430 0.165900 0.279679 312 H 23 S -0.341709 -0.485619 -0.650805 -0.488695 0.088253 313 H 23 X -0.036304 -0.060269 -0.054534 -0.054144 -0.008166 314 H 23 Y -0.039441 -0.037108 -0.076646 -0.060913 -0.020821 315 H 23 Z -0.012535 -0.006650 -0.005255 0.012838 0.002130 316 H 24 S 0.062471 -0.102162 -0.174564 -0.061020 0.103737 317 H 24 S -0.345449 -0.085548 0.963991 0.407379 0.217123 318 H 24 X 0.061983 0.028883 -0.075395 -0.019620 0.008339 319 H 24 Y -0.002525 -0.001695 0.056493 0.011388 0.010242 320 H 24 Z 0.034145 -0.033909 -0.133288 -0.048286 -0.002775 321 H 25 S -0.060209 -0.193708 -0.109809 0.049029 0.160892 322 H 25 S 0.593856 0.604774 -0.103402 0.018996 -0.397858 323 H 25 X -0.035862 -0.040623 0.033925 0.026039 0.067139 324 H 25 Y 0.020961 0.032214 -0.015931 0.015120 -0.009083 325 H 25 Z 0.068713 0.105646 0.025621 0.001764 -0.071763 326 C 26 S 0.011816 0.031285 -0.023205 -0.028251 -0.002400 327 C 26 S 0.076232 0.114908 -0.094074 -0.028528 0.024154 328 C 26 S 0.304047 -0.364688 0.284435 0.398446 0.061235 329 C 26 X 0.043551 0.070903 -0.065550 0.042031 0.044063 330 C 26 Y -0.097763 0.106177 -0.319415 -0.093782 -0.021598 331 C 26 Z 0.042760 -0.021020 -0.026148 -0.026898 -0.043082 332 C 26 X 0.055686 -0.216581 0.075964 0.004243 -0.023408 333 C 26 Y 0.165310 -0.310120 0.827760 0.383678 -0.086714 334 C 26 Z 0.145848 -0.335587 0.353381 -0.023415 -0.005491 335 C 26 XX -0.036706 0.025842 -0.072688 -0.040370 -0.040049 336 C 26 YY -0.005522 -0.022229 0.034298 -0.010736 0.015159 337 C 26 ZZ 0.042228 -0.003613 0.038391 0.051106 0.024890 338 C 26 XY 0.048893 0.055527 -0.109434 -0.010882 0.027308 339 C 26 XZ 0.026284 0.009839 0.031293 -0.007305 -0.004858 340 C 26 YZ -0.044066 0.018087 -0.082619 -0.023414 0.016004 341 H 27 S -0.000667 -0.052220 -0.013125 -0.181450 -0.085866 342 H 27 S -0.046099 -0.432122 0.817995 0.254028 -0.082732 343 H 27 X 0.013943 -0.024442 0.067956 0.020877 0.018773 344 H 27 Y 0.010708 0.000413 0.047593 0.021415 -0.003285 345 H 27 Z 0.019375 0.012973 -0.033547 0.021579 0.003490 346 H 28 S -0.090869 -0.204644 0.237346 -0.087987 -0.092034 347 H 28 S -0.017169 0.264549 -0.737557 -0.326267 0.096238 348 H 28 X 0.022399 0.025964 -0.059966 0.012426 0.022708 349 H 28 Y -0.005619 -0.055659 0.098408 0.001456 -0.010177 350 H 28 Z -0.040767 0.025640 -0.058904 -0.025131 0.004840 351 H 29 S -0.235202 -0.126200 0.117667 -0.123033 -0.134450 352 H 29 S 0.297640 0.084134 0.141215 0.069906 0.053023 353 H 29 X -0.051992 -0.029888 0.001501 -0.038701 -0.038376 354 H 29 Y 0.036949 0.032381 -0.040653 0.008496 0.013719 355 H 29 Z 0.016917 0.012145 0.031944 0.004004 -0.004477 356 C 30 S 0.029549 -0.001149 0.035348 -0.064119 0.013596 357 C 30 S 0.087111 -0.004350 0.107583 -0.206379 0.098981 358 C 30 S -0.029886 -0.082063 0.059857 0.440006 -0.041325 359 C 30 X 0.122778 0.023934 0.139463 -0.148138 0.138571 360 C 30 Y 0.235958 -0.499696 -0.039870 0.027870 -0.151864 361 C 30 Z -0.002209 0.106520 -0.039956 0.025094 -0.044850 362 C 30 X -0.363535 -0.112778 -0.307088 0.325226 -0.397305 363 C 30 Y -0.759599 1.261488 0.072440 -0.269343 0.357209 364 C 30 Z -0.071567 -0.218388 -0.004645 -0.107169 0.299911 365 C 30 XX -0.034028 0.155277 -0.011640 -0.007540 0.045752 366 C 30 YY -0.008268 -0.119382 -0.008830 -0.005944 -0.044056 367 C 30 ZZ 0.042296 -0.035895 0.020470 0.013484 -0.001696 368 C 30 XY -0.020892 0.011672 -0.055869 0.052384 -0.054678 369 C 30 XZ -0.053171 -0.020722 -0.037194 0.022775 -0.029168 370 C 30 YZ -0.066979 0.150700 -0.006865 -0.023295 0.035825 371 H 31 S -0.029731 -0.196322 0.017422 0.118031 -0.267996 372 H 31 S -0.372085 1.314673 -0.034083 -0.278031 0.348633 373 H 31 X -0.003011 -0.002984 0.007640 -0.018738 0.004673 374 H 31 Y -0.016256 0.152017 0.020497 -0.035254 0.075675 375 H 31 Z 0.061343 -0.080189 -0.006619 0.041858 -0.037479 376 H 32 S -0.050986 0.132444 -0.041601 0.085407 -0.157599 377 H 32 S 0.185485 -0.715267 -0.253193 0.262517 -0.562971 378 H 32 X 0.018274 -0.091487 -0.022102 -0.000037 -0.035672 379 H 32 Y -0.033099 0.007640 0.019025 -0.004016 0.006489 380 H 32 Z 0.018795 0.032120 0.003079 -0.012939 -0.020054 381 H 33 S -0.055717 0.102370 -0.159363 0.155705 -0.172664 382 H 33 S 0.518014 -0.586255 0.393229 -0.239674 0.177303 383 H 33 X -0.057221 0.090448 -0.050358 0.069661 -0.027223 384 H 33 Y -0.045915 0.012274 -0.029592 0.032762 -0.058049 385 H 33 Z -0.070792 0.023768 -0.018737 0.008329 0.011050 386 H 34 S -0.111229 -0.033424 -0.065946 -0.051459 0.233597 387 H 34 S 0.385741 0.250869 0.381493 -0.722632 -0.390438 388 H 34 X -0.014104 0.018067 0.015197 0.015541 -0.044501 389 H 34 Y -0.039013 -0.027887 -0.033748 0.084694 0.049200 390 H 34 Z -0.081715 -0.023257 -0.045017 0.062894 0.079133 391 F 35 S -0.002051 0.000570 0.008206 0.004061 -0.008027 392 F 35 S -0.021284 -0.006668 0.004127 0.004440 -0.023837 393 F 35 S -0.093590 -0.058885 -0.174618 -0.081930 0.042540 394 F 35 X -0.012797 0.001661 0.033246 0.033610 -0.032290 395 F 35 Y -0.000503 -0.003463 0.031068 -0.006624 -0.000386 396 F 35 Z -0.044306 -0.005026 -0.006788 -0.027996 -0.024890 397 F 35 X -0.043396 -0.023993 -0.052953 -0.020936 -0.006082 398 F 35 Y 0.015217 -0.056072 0.001513 -0.011095 -0.024280 399 F 35 Z -0.031540 0.023191 0.001698 0.005159 -0.021537 400 F 35 XX -0.002301 -0.000535 -0.005058 -0.005895 0.001558 401 F 35 YY 0.001055 -0.000834 0.002184 0.003624 0.000047 402 F 35 ZZ 0.001246 0.001370 0.002874 0.002271 -0.001605 403 F 35 XY 0.000896 -0.002842 -0.002205 -0.001346 0.000248 404 F 35 XZ -0.000325 0.001147 0.002128 0.004916 -0.000160 405 F 35 YZ 0.001352 -0.001793 -0.000546 0.000640 -0.000928 406 F 36 S -0.023494 0.001218 -0.004150 0.004257 -0.007830 407 F 36 S -0.038531 -0.003822 -0.001416 0.016918 -0.015572 408 F 36 S 0.309227 -0.070239 0.105508 0.007422 0.090813 409 F 36 X -0.062862 -0.004908 0.010076 0.010453 -0.040237 410 F 36 Y 0.014171 -0.015288 0.014402 -0.003090 0.018597 411 F 36 Z -0.085475 0.003167 -0.017710 0.003733 -0.033892 412 F 36 X 0.030134 0.020672 0.023842 0.013112 -0.000637 413 F 36 Y 0.020217 -0.044949 0.002897 -0.006783 -0.029149 414 F 36 Z 0.070838 -0.027436 0.012262 0.009256 0.018811 415 F 36 XX -0.004063 0.003168 -0.001802 -0.000904 -0.000683 416 F 36 YY -0.006236 -0.000597 -0.002209 -0.001368 -0.002809 417 F 36 ZZ 0.010299 -0.002571 0.004011 0.002273 0.003492 418 F 36 XY 0.000876 -0.002217 -0.000652 -0.000685 -0.002718 419 F 36 XZ 0.001147 -0.000220 -0.000256 0.001145 0.000961 420 F 36 YZ -0.001752 -0.001288 -0.000467 -0.000911 0.000182 421 C 37 S -0.051066 -0.066618 -0.014827 -0.045920 0.015446 422 C 37 S -0.152579 -0.151858 -0.076189 -0.118563 0.026575 423 C 37 S -0.781650 0.147642 -0.754090 0.427569 -0.178172 424 C 37 X -0.174000 -0.005281 -0.180753 -0.130309 0.135309 425 C 37 Y 0.031940 0.107043 -0.020736 0.012790 0.058218 426 C 37 Z -0.104159 -0.043708 0.064242 0.081670 0.041630 427 C 37 X 1.344574 0.084684 1.161443 0.438392 -0.226538 428 C 37 Y -0.270968 -0.348080 0.029088 -0.174694 -0.364466 429 C 37 Z 0.019502 0.081568 -0.092163 -0.110384 -0.212688 430 C 37 XX 0.037841 0.031857 0.023740 0.052731 -0.022086 431 C 37 YY -0.043742 -0.038851 -0.044222 -0.039206 0.008257 432 C 37 ZZ 0.005901 0.006995 0.020481 -0.013524 0.013829 433 C 37 XY -0.014478 0.026882 -0.049076 0.017221 0.061256 434 C 37 XZ 0.018673 -0.016523 -0.009467 -0.031314 0.003485 435 C 37 YZ -0.018011 -0.030645 -0.013250 0.021107 0.002710 436 S 38 S -0.002364 0.007054 0.015276 -0.004615 -0.002307 437 S 38 S -0.017992 0.051374 0.109788 -0.033798 -0.018751 438 S 38 S -0.029181 0.073016 0.153701 -0.049063 -0.043822 439 S 38 S -0.047809 -0.190461 -0.700895 -0.100920 -0.094560 440 S 38 X -0.005884 -0.015372 -0.014076 -0.007408 0.041599 441 S 38 Y -0.016248 -0.009793 0.006338 0.008091 0.032389 442 S 38 Z -0.032796 0.034789 0.023582 -0.020836 0.001418 443 S 38 X -0.003856 -0.081105 -0.042926 -0.039762 0.198022 444 S 38 Y -0.058896 -0.058453 0.008963 0.028338 0.166276 445 S 38 Z -0.160772 0.176204 0.116922 -0.105923 0.008025 446 S 38 X 0.255754 0.186241 -0.085119 0.170408 -0.391322 447 S 38 Y 0.272857 0.235307 0.240479 0.194025 -0.115736 448 S 38 Z 0.168076 -0.251040 -0.150250 0.248987 -0.062879 449 S 38 XX -0.015813 0.038375 -0.035628 0.030987 0.012364 450 S 38 YY 0.002930 -0.005535 0.032179 -0.062576 -0.063655 451 S 38 ZZ 0.012883 -0.032840 0.003450 0.031589 0.051290 452 S 38 XY -0.020837 0.032533 0.115095 -0.023522 0.006195 453 S 38 XZ -0.143114 -0.005661 -0.004483 0.214104 -0.103150 454 S 38 YZ -0.147744 0.122293 0.007729 0.064918 0.016795 455 S 38 XX -0.003236 0.003095 -0.004565 0.000111 0.005996 456 S 38 YY 0.001479 0.001735 0.005823 -0.004976 -0.011827 457 S 38 ZZ 0.001756 -0.004830 -0.001257 0.004866 0.005831 458 S 38 XY 0.000546 0.004568 0.014637 -0.003919 -0.002654 459 S 38 XZ -0.018141 -0.000523 0.000386 0.024662 -0.013114 460 S 38 YZ -0.019672 0.014880 0.001028 0.009141 0.001008 461 H 39 S -0.045318 0.000883 0.025567 -0.044339 0.003934 462 H 39 S -0.836590 -0.196173 -0.690269 -0.448109 0.138169 463 H 39 X 0.055629 0.028002 0.049426 0.051597 -0.040227 464 H 39 Y -0.006182 0.009884 -0.034088 0.010072 -0.004530 465 H 39 Z 0.011670 -0.004564 -0.006427 -0.012520 -0.005726 191 192 193 194 195 0.8630 0.8697 0.8728 0.8802 0.8847 A A A A A 1 C 1 S -0.014863 -0.029670 0.022808 0.021704 -0.005878 2 C 1 S -0.051700 -0.057436 0.056974 0.062115 -0.026777 3 C 1 S 0.434692 0.896694 -0.110153 -0.368431 -0.243772 4 C 1 X 0.032593 0.017693 -0.037708 0.072703 -0.116766 5 C 1 Y 0.112861 -0.043382 -0.048161 -0.229545 0.076815 6 C 1 Z -0.112936 -0.200625 -0.075179 -0.074031 -0.016213 7 C 1 X -0.192768 -0.415586 0.349848 -0.292990 0.381151 8 C 1 Y -0.161390 0.357570 0.106731 0.355307 -0.018629 9 C 1 Z 0.342778 0.467745 0.022338 0.253850 0.037229 10 C 1 XX 0.021168 0.036798 -0.013179 0.014498 -0.021553 11 C 1 YY 0.014482 -0.029946 0.007406 -0.021936 0.024895 12 C 1 ZZ -0.035650 -0.006852 0.005773 0.007439 -0.003342 13 C 1 XY -0.024360 -0.005361 0.035282 0.068199 -0.028765 14 C 1 XZ 0.027431 -0.027538 -0.038219 -0.004610 0.037732 15 C 1 YZ -0.080528 -0.017947 0.045415 -0.041075 -0.008099 16 C 2 S 0.009283 -0.043676 0.051636 0.016819 -0.022831 17 C 2 S 0.006962 -0.104916 0.124022 0.063712 -0.070458 18 C 2 S -0.618521 -1.308525 0.287137 0.709269 0.271464 19 C 2 X 0.074156 0.104548 -0.048409 -0.075183 0.011836 20 C 2 Y 0.000834 0.241175 0.056276 -0.248254 0.084436 21 C 2 Z -0.179093 0.022742 0.079432 -0.062148 -0.119343 22 C 2 X -0.296602 -1.057971 0.278061 0.330352 0.159507 23 C 2 Y -0.480559 -1.188637 -0.016188 1.417623 -0.344094 24 C 2 Z 0.236353 -0.180862 -0.287305 0.069216 0.220083 25 C 2 XX -0.019446 -0.007774 0.017331 -0.068035 0.046393 26 C 2 YY 0.000437 -0.059921 -0.010460 0.084295 -0.017832 27 C 2 ZZ 0.019009 0.067695 -0.006871 -0.016261 -0.028561 28 C 2 XY 0.018280 0.040242 -0.019171 -0.037184 0.011535 29 C 2 XZ -0.009792 -0.003497 0.003293 -0.003188 -0.026399 30 C 2 YZ 0.001254 -0.003416 0.020806 0.009405 -0.004649 31 C 3 S -0.065047 -0.008556 -0.030379 0.078705 -0.031758 32 C 3 S -0.137479 -0.009003 -0.075963 0.207589 -0.087459 33 C 3 S 0.536723 -0.982693 0.507318 -0.398639 0.294390 34 C 3 X -0.029223 -0.026793 0.027744 0.120878 -0.042053 35 C 3 Y -0.075316 0.237911 -0.033274 -0.033624 -0.055085 36 C 3 Z 0.058304 0.092520 -0.119510 0.088884 0.069413 37 C 3 X 0.195471 1.850151 -0.364235 -1.879119 0.278156 38 C 3 Y -0.366294 -1.572809 0.468534 1.049866 -0.077309 39 C 3 Z -0.289342 -0.091626 0.220938 -0.085391 -0.171548 40 C 3 XX -0.019373 -0.047538 -0.027407 0.074752 -0.009640 41 C 3 YY 0.011132 0.031378 0.039903 -0.097460 0.020479 42 C 3 ZZ 0.008241 0.016160 -0.012496 0.022708 -0.010839 43 C 3 XY 0.005022 -0.032537 0.003853 -0.041762 0.019575 44 C 3 XZ -0.028276 -0.003955 0.019434 -0.005338 -0.010573 45 C 3 YZ 0.012160 -0.001329 -0.049826 0.008347 0.028840 46 C 4 S 0.004556 -0.063385 0.011253 -0.019728 -0.040855 47 C 4 S 0.018989 -0.199187 0.011633 -0.039275 -0.104621 48 C 4 S -0.171298 0.377535 -0.499304 1.039206 0.379719 49 C 4 X 0.035684 0.249857 0.049581 0.039994 -0.179624 50 C 4 Y 0.023451 -0.103853 -0.017640 0.321349 -0.123701 51 C 4 Z -0.167750 -0.133772 -0.126121 -0.020146 -0.109964 52 C 4 X -0.068686 -0.946635 0.342286 -0.238405 0.320320 53 C 4 Y -0.313544 0.865339 -0.674544 -0.801674 0.472365 54 C 4 Z 0.513205 0.372579 0.379918 -0.184172 0.375458 55 C 4 XX 0.014427 0.024589 -0.015317 -0.014209 -0.018002 56 C 4 YY -0.057757 -0.049791 -0.048753 0.017920 -0.001945 57 C 4 ZZ 0.043330 0.025203 0.064069 -0.003712 0.019946 58 C 4 XY -0.008204 -0.010734 0.022302 0.041254 -0.002364 59 C 4 XZ 0.006891 -0.031900 0.006511 -0.040719 -0.035898 60 C 4 YZ 0.023629 -0.017569 0.013393 -0.018658 0.004947 61 S 5 S -0.026814 0.001673 -0.016858 0.027689 -0.003701 62 S 5 S -0.198175 0.014793 -0.126329 0.202464 -0.026667 63 S 5 S -0.303616 0.031969 -0.197521 0.297844 -0.030356 64 S 5 S 0.427301 0.321520 -0.039629 -0.576924 0.022365 65 S 5 X -0.001931 -0.017288 -0.013603 0.002210 -0.005729 66 S 5 Y -0.011349 -0.012431 -0.041323 -0.007259 0.007176 67 S 5 Z 0.010534 -0.007437 -0.050314 0.038414 0.014719 68 S 5 X 0.004933 -0.063518 -0.077634 -0.016345 -0.036875 69 S 5 Y -0.054964 -0.094573 -0.194592 -0.017090 0.036763 70 S 5 Z 0.056704 -0.051304 -0.253062 0.194244 0.071616 71 S 5 X -0.019483 -0.093100 0.212224 0.241324 -0.044604 72 S 5 Y 0.078555 0.357518 0.414482 0.054063 -0.007534 73 S 5 Z -0.165506 0.043956 0.199623 -0.350806 -0.166242 74 S 5 XX -0.116602 -0.010271 -0.090592 0.114651 0.034503 75 S 5 YY 0.021000 0.077037 -0.085482 -0.021467 0.036827 76 S 5 ZZ 0.095602 -0.066766 0.176074 -0.093184 -0.071330 77 S 5 XY 0.022980 -0.141086 0.065764 0.055055 -0.047501 78 S 5 XZ 0.092436 -0.031974 -0.029478 0.093721 -0.102712 79 S 5 YZ 0.151834 0.175534 0.030170 0.106237 -0.017649 80 S 5 XX -0.015580 -0.001838 -0.011921 0.019976 0.001821 81 S 5 YY 0.001602 0.009261 -0.010692 -0.005819 0.007161 82 S 5 ZZ 0.013978 -0.007422 0.022612 -0.014157 -0.008983 83 S 5 XY 0.004362 -0.013086 0.012216 0.008819 -0.007620 84 S 5 XZ 0.009313 -0.004643 -0.005840 0.009500 -0.015411 85 S 5 YZ 0.019517 0.020582 0.004615 0.013769 -0.000684 86 H 6 S -0.028775 -0.114376 -0.003447 0.080520 0.050461 87 H 6 S -0.288854 -0.729959 0.162650 0.608115 -0.170029 88 H 6 X 0.006673 -0.051060 0.002867 0.028158 -0.017115 89 H 6 Y -0.014869 -0.017230 0.012241 0.046388 -0.032245 90 H 6 Z -0.004436 -0.006114 -0.016996 -0.002679 0.016092 91 C 7 S -0.001990 -0.050814 -0.011738 -0.008644 -0.029465 92 C 7 S 0.020978 -0.141913 0.014546 -0.015136 -0.035661 93 C 7 S 0.235038 1.752895 -0.659774 0.177664 0.308657 94 C 7 X 0.074637 -0.077648 0.025047 0.161266 0.044998 95 C 7 Y -0.055282 0.005499 -0.063557 -0.101010 0.038175 96 C 7 Z 0.010236 0.004818 -0.142290 -0.025586 -0.123807 97 C 7 X -0.589605 -1.174733 0.208376 0.007601 -0.410431 98 C 7 Y -0.091243 -0.533199 0.441985 -0.533501 -0.342079 99 C 7 Z 0.073981 0.124128 -0.011046 -0.047905 0.159300 100 C 7 XX -0.000189 -0.002969 -0.034140 -0.030811 0.009032 101 C 7 YY 0.024356 0.022203 -0.001700 0.044766 -0.024432 102 C 7 ZZ -0.024167 -0.019234 0.035839 -0.013956 0.015401 103 C 7 XY 0.008885 -0.001130 0.016867 0.034344 0.038659 104 C 7 XZ 0.033531 0.010600 0.053325 -0.014691 0.014603 105 C 7 YZ -0.013229 -0.007378 -0.004241 0.000591 -0.019791 106 C 8 S -0.006063 -0.009579 -0.011305 -0.024103 -0.040124 107 C 8 S -0.009858 -0.023644 -0.027572 -0.056770 -0.113954 108 C 8 S 0.165045 -0.253079 0.338872 0.307514 0.280397 109 C 8 X -0.030617 -0.046172 0.036742 0.120935 -0.129789 110 C 8 Y -0.038771 -0.004878 0.038309 0.028384 -0.171371 111 C 8 Z 0.019874 -0.037597 0.166087 -0.086030 0.097743 112 C 8 X -0.016078 0.214294 -0.280881 -0.462179 0.464077 113 C 8 Y -0.406679 -0.099676 -0.486035 -0.481399 0.479189 114 C 8 Z -0.006458 0.039328 -0.375076 0.033011 -0.242885 115 C 8 XX -0.015900 -0.007648 0.003285 -0.013769 0.006504 116 C 8 YY 0.026445 -0.001160 0.019436 0.019153 0.013471 117 C 8 ZZ -0.010545 0.008809 -0.022722 -0.005384 -0.019976 118 C 8 XY 0.018019 0.016956 -0.011785 -0.010479 0.037547 119 C 8 XZ 0.004438 -0.003073 -0.015249 0.004294 -0.023885 120 C 8 YZ 0.011981 -0.028570 0.002537 -0.026080 -0.011266 121 C 9 S -0.113634 0.041167 -0.087483 -0.004815 0.020140 122 C 9 S -0.288348 0.145971 -0.217812 -0.079091 0.060460 123 C 9 S 1.531357 -0.432535 1.201322 0.348283 -0.497291 124 C 9 X -0.002583 -0.107750 0.207300 -0.043827 0.238401 125 C 9 Y 0.050426 -0.060034 -0.025082 -0.104555 0.040446 126 C 9 Z 0.049117 -0.003998 -0.067098 -0.038664 0.004917 127 C 9 X 0.104243 0.297857 -0.663172 0.347635 -0.801509 128 C 9 Y 0.125186 0.444680 -0.231986 0.745159 0.075049 129 C 9 Z 0.088467 -0.195117 0.547834 -0.028799 -0.205740 130 C 9 XX -0.016632 0.017606 -0.000462 0.004959 0.020402 131 C 9 YY 0.008507 -0.019517 0.034349 0.001953 -0.028577 132 C 9 ZZ 0.008125 0.001911 -0.033887 -0.006912 0.008175 133 C 9 XY 0.031166 -0.021379 0.011890 -0.007433 -0.059736 134 C 9 XZ -0.022468 0.000110 0.045552 0.046771 0.047007 135 C 9 YZ -0.001694 -0.005746 -0.000598 -0.015116 -0.006295 136 C 10 S -0.000733 -0.060581 0.032324 -0.007549 -0.048098 137 C 10 S -0.042024 -0.122972 0.086331 -0.029256 -0.107148 138 C 10 S -1.263237 -0.243355 0.512896 -1.302601 0.108116 139 C 10 X -0.087230 0.111634 -0.193090 0.142943 0.058886 140 C 10 Y 0.045716 -0.095077 0.013119 -0.058583 0.047283 141 C 10 Z -0.042750 0.047771 -0.168084 0.090305 0.130295 142 C 10 X 0.174422 -1.829109 0.362181 -0.667803 -0.653996 143 C 10 Y -0.217844 -1.147853 0.263982 1.433245 -0.315327 144 C 10 Z -0.052616 0.158565 0.324500 0.102594 0.024760 145 C 10 XX -0.021679 -0.011302 0.023656 0.007339 -0.032784 146 C 10 YY 0.010217 -0.026773 -0.017239 -0.058315 0.000169 147 C 10 ZZ 0.011463 0.038074 -0.006418 0.050976 0.032615 148 C 10 XY -0.008454 0.019310 -0.000992 -0.032936 -0.045830 149 C 10 XZ 0.016834 0.017415 -0.020057 0.007621 -0.003618 150 C 10 YZ -0.017862 -0.012187 0.014538 -0.021051 -0.035302 151 C 11 S -0.048892 0.033506 0.006015 0.066455 -0.095742 152 C 11 S -0.087020 0.044968 0.020437 0.160354 -0.221235 153 C 11 S 0.582596 0.579300 -0.304961 -1.208785 0.330240 154 C 11 X -0.003578 -0.138632 -0.036381 0.065099 0.068340 155 C 11 Y 0.075346 -0.109319 -0.040950 -0.136798 0.079495 156 C 11 Z 0.100105 -0.064109 -0.272244 0.046308 0.018970 157 C 11 X -0.058654 2.188427 -0.394147 -0.536686 0.047548 158 C 11 Y 0.159833 -0.738568 0.128845 2.135130 -0.490521 159 C 11 Z 0.037878 0.054956 0.243549 -0.245932 -0.005225 160 C 11 XX 0.003200 0.040553 -0.003255 -0.091141 -0.008487 161 C 11 YY -0.014598 0.003652 0.001896 0.062593 -0.033398 162 C 11 ZZ 0.011398 -0.044205 0.001359 0.028548 0.041884 163 C 11 XY -0.001483 -0.019507 0.005129 -0.011994 0.033645 164 C 11 XZ -0.002419 0.039089 -0.017051 0.009464 0.012532 165 C 11 YZ 0.007223 0.026871 -0.026408 0.020533 0.032246 166 C 12 S 0.024306 -0.084998 -0.001761 -0.035145 -0.043076 167 C 12 S 0.046500 -0.169141 -0.038480 -0.066121 -0.085931 168 C 12 S -0.438444 0.112302 0.300791 0.086614 0.020606 169 C 12 X -0.109768 -0.038544 0.002053 -0.008678 0.022813 170 C 12 Y -0.031810 0.006383 -0.023051 0.082525 0.062359 171 C 12 Z -0.040684 0.122445 0.074083 0.048043 0.123158 172 C 12 X 1.008834 -0.556136 -0.494051 -0.586026 -0.465439 173 C 12 Y 0.054014 0.360493 -0.029208 -0.549171 0.000156 174 C 12 Z 0.312662 -0.330001 -0.424019 -0.421088 -0.466548 175 C 12 XX 0.047075 -0.071836 0.037744 -0.025093 -0.014915 176 C 12 YY -0.040574 0.051003 0.022043 0.011323 0.008458 177 C 12 ZZ -0.006501 0.020833 -0.059787 0.013770 0.006457 178 C 12 XY -0.025942 0.023798 -0.002823 0.022180 0.012562 179 C 12 XZ -0.030475 0.021954 0.005956 0.008147 0.018593 180 C 12 YZ -0.007376 0.013777 0.011719 -0.010103 -0.024117 181 C 13 S -0.008991 -0.005381 0.061664 -0.031819 0.010106 182 C 13 S -0.022541 -0.005129 0.139352 -0.071014 0.020653 183 C 13 S 0.188372 0.057024 -0.311533 0.122310 -0.480497 184 C 13 X 0.043265 -0.047377 0.086611 -0.032292 -0.092931 185 C 13 Y -0.205760 0.212181 0.082052 0.025468 0.071581 186 C 13 Z -0.059172 0.025496 0.121454 -0.119250 -0.120475 187 C 13 X -0.245118 0.068108 0.160988 -0.279454 0.101559 188 C 13 Y 1.300510 -1.080460 -0.574214 -0.978036 -0.436987 189 C 13 Z 0.355903 -0.025660 -0.273966 0.156264 0.222132 190 C 13 XX 0.010765 0.015308 -0.024873 0.008176 -0.002663 191 C 13 YY 0.003082 -0.008285 0.014424 -0.015814 -0.012231 192 C 13 ZZ -0.013847 -0.007023 0.010449 0.007639 0.014894 193 C 13 XY 0.028882 -0.000569 -0.033651 -0.035346 -0.011994 194 C 13 XZ 0.002124 0.001752 -0.003875 -0.012859 -0.004581 195 C 13 YZ 0.016806 -0.029658 0.001700 -0.009797 0.001226 196 C 14 S -0.071295 0.041198 0.042524 -0.009090 -0.014614 197 C 14 S -0.147851 0.073392 0.073007 -0.012468 -0.018492 198 C 14 S 0.815745 0.110511 -0.548519 0.116206 -0.329868 199 C 14 X 0.013310 -0.019435 0.000224 -0.167928 0.065236 200 C 14 Y 0.063911 -0.020079 0.029125 -0.082977 -0.100628 201 C 14 Z 0.119593 -0.036595 -0.009619 -0.081251 -0.017806 202 C 14 X -0.463028 0.649056 0.086838 1.343729 -0.202133 203 C 14 Y -0.204608 0.304838 -0.102655 -0.244765 0.208024 204 C 14 Z -0.606701 0.267288 0.134276 0.357946 0.119085 205 C 14 XX -0.035701 0.060202 0.023515 0.025059 -0.032774 206 C 14 YY 0.036690 -0.015242 -0.005187 -0.032815 -0.014124 207 C 14 ZZ -0.000988 -0.044960 -0.018328 0.007756 0.046898 208 C 14 XY -0.038573 0.068096 0.004030 0.037847 -0.006428 209 C 14 XZ 0.017628 -0.036870 -0.006885 -0.005386 -0.021565 210 C 14 YZ 0.019279 0.003772 -0.012354 -0.002183 -0.010821 211 F 15 S -0.000651 -0.008314 0.001152 -0.011277 -0.009833 212 F 15 S -0.001634 -0.032580 0.025469 -0.022657 -0.017096 213 F 15 S 0.012251 -0.005984 0.126512 0.105245 0.118426 214 F 15 X -0.026312 -0.028205 -0.007812 0.015742 0.025395 215 F 15 Y 0.010514 -0.023752 -0.033640 0.079088 0.051038 216 F 15 Z -0.009871 0.009532 0.015893 0.025012 0.043152 217 F 15 X -0.050497 0.008604 0.073589 0.037309 0.036112 218 F 15 Y 0.024730 -0.035880 -0.021316 0.023252 -0.018320 219 F 15 Z -0.022064 0.060502 -0.051765 -0.011609 -0.011377 220 F 15 XX 0.000558 -0.000564 -0.000736 -0.000387 -0.002938 221 F 15 YY -0.000738 0.000213 -0.004138 -0.000027 -0.000069 222 F 15 ZZ 0.000180 0.000352 0.004873 0.000415 0.003007 223 F 15 XY 0.002893 -0.002587 -0.002456 0.000043 -0.001664 224 F 15 XZ 0.002279 -0.002971 -0.000330 -0.000055 -0.001782 225 F 15 YZ 0.002814 -0.002730 -0.001977 0.002497 0.001303 226 F 16 S -0.010751 0.010038 0.008695 -0.005505 0.004228 227 F 16 S -0.005922 -0.004459 0.011832 -0.016278 -0.005955 228 F 16 S 0.203368 -0.272309 -0.138926 0.021240 -0.146671 229 F 16 X -0.008100 -0.012525 0.026393 -0.063010 -0.010706 230 F 16 Y 0.041059 -0.032584 -0.045777 0.013824 -0.000978 231 F 16 Z 0.012371 0.003696 0.004301 0.028440 0.024474 232 F 16 X -0.035331 -0.020054 0.031295 0.024077 0.019606 233 F 16 Y -0.088495 0.067175 0.050751 0.036272 0.064938 234 F 16 Z 0.034198 -0.056724 0.001056 0.030012 0.001550 235 F 16 XX -0.001063 0.002409 0.001092 0.004439 0.002291 236 F 16 YY 0.003994 -0.007882 -0.003535 -0.001299 -0.003299 237 F 16 ZZ -0.002931 0.005473 0.002444 -0.003140 0.001008 238 F 16 XY 0.002434 -0.003010 0.003911 -0.003156 -0.001595 239 F 16 XZ 0.002299 -0.002704 -0.001939 -0.002156 -0.002821 240 F 16 YZ -0.000820 0.003377 0.000507 -0.001640 0.001576 241 F 17 S 0.014380 -0.009148 -0.000830 -0.005543 -0.005343 242 F 17 S 0.003626 -0.002003 0.009943 -0.009966 -0.004254 243 F 17 S -0.332680 0.197406 0.081150 0.072156 0.108283 244 F 17 X -0.030012 -0.003842 0.042400 -0.027877 -0.004939 245 F 17 Y 0.057460 -0.034841 0.004870 -0.002152 -0.057086 246 F 17 Z 0.019640 -0.014326 0.002187 -0.029401 -0.002568 247 F 17 X 0.006291 0.008950 -0.002787 -0.073994 0.021536 248 F 17 Y -0.083128 0.040270 0.039110 0.027131 0.021571 249 F 17 Z -0.069247 0.054896 0.027628 -0.010022 0.023769 250 F 17 XX 0.005372 0.001126 -0.001823 -0.006055 -0.000089 251 F 17 YY -0.006661 0.000422 0.001404 0.004261 0.001186 252 F 17 ZZ 0.001289 -0.001548 0.000419 0.001794 -0.001097 253 F 17 XY 0.003599 -0.004683 -0.002995 -0.002821 0.003661 254 F 17 XZ -0.002131 0.000730 0.000855 0.001446 0.000561 255 F 17 YZ -0.007916 0.004664 0.000859 0.003962 0.003461 256 F 18 S -0.002168 0.005216 0.001175 -0.002629 -0.006456 257 F 18 S -0.000810 0.022524 0.005806 -0.015128 -0.030561 258 F 18 S 0.047416 0.029495 0.011014 -0.037419 -0.042064 259 F 18 X 0.017870 0.031791 -0.047135 -0.011202 0.016467 260 F 18 Y 0.017595 -0.019474 0.026439 -0.017889 -0.053177 261 F 18 Z 0.028641 0.000623 -0.009850 -0.014605 -0.007923 262 F 18 X 0.027073 -0.003908 0.009826 -0.095727 0.000795 263 F 18 Y 0.043724 -0.013176 -0.002351 0.000265 -0.037723 264 F 18 Z 0.028799 -0.038307 -0.020328 0.003783 0.032594 265 F 18 XX -0.002043 -0.001151 0.002522 -0.003651 0.002443 266 F 18 YY 0.000612 -0.001683 -0.002556 0.003878 0.001058 267 F 18 ZZ 0.001430 0.002834 0.000034 -0.000226 -0.003502 268 F 18 XY 0.001103 -0.003720 0.002337 -0.003763 -0.000078 269 F 18 XZ -0.002178 0.003310 0.000281 0.000190 0.001107 270 F 18 YZ 0.000261 -0.002288 0.000010 0.000996 0.000154 271 C 19 S 0.025779 0.049606 -0.033498 0.008039 0.077154 272 C 19 S 0.093471 0.145390 -0.081875 0.034184 0.232641 273 C 19 S 0.038364 -0.170649 0.387224 0.204087 -0.661849 274 C 19 X -0.221577 -0.117508 0.003006 -0.013273 0.101672 275 C 19 Y 0.211022 0.091217 0.046110 0.138919 -0.142295 276 C 19 Z 0.045378 -0.125258 0.011157 -0.035406 -0.075646 277 C 19 X 0.393961 0.217524 -0.120864 -0.005724 -0.132635 278 C 19 Y -0.378637 -0.227951 -0.155253 -0.369648 0.387448 279 C 19 Z -0.128411 0.272184 0.070225 0.067864 0.332662 280 C 19 XX 0.091562 0.052273 -0.008416 0.011071 -0.039034 281 C 19 YY 0.006597 -0.025904 0.033634 0.021483 -0.024291 282 C 19 ZZ -0.098159 -0.026369 -0.025218 -0.032554 0.063324 283 C 19 XY -0.007661 0.019246 -0.011605 0.019900 -0.002910 284 C 19 XZ 0.015885 -0.000507 0.022080 0.005998 0.005279 285 C 19 YZ -0.006132 0.044077 -0.009697 0.029400 0.000492 286 H 20 S -0.016993 -0.044964 0.002355 -0.051647 -0.187649 287 H 20 S -0.442781 -0.197766 0.030459 -0.034319 0.401955 288 H 20 X 0.056527 0.021225 0.003975 0.001346 -0.086296 289 H 20 Y -0.017649 0.009936 -0.016262 0.007409 0.023050 290 H 20 Z 0.004322 -0.001708 0.016792 0.001140 0.013700 291 H 21 S -0.155620 -0.119681 0.026215 -0.083699 -0.071760 292 H 21 S 0.266769 0.447497 -0.038424 0.285252 0.057470 293 H 21 X -0.005366 0.010359 -0.018558 0.015468 -0.000926 294 H 21 Y -0.023423 -0.055160 0.009260 -0.018040 -0.042188 295 H 21 Z 0.075799 0.065283 -0.000406 0.043997 0.004480 296 C 22 S 0.000871 -0.043901 -0.010984 -0.004392 0.052258 297 C 22 S 0.013175 -0.124756 -0.050116 -0.050178 0.177776 298 C 22 S -0.019155 0.308591 0.032226 0.199178 -0.283319 299 C 22 X -0.122957 0.092567 -0.006609 -0.000940 0.069491 300 C 22 Y 0.019045 0.029158 0.041349 -0.143423 -0.022442 301 C 22 Z 0.385911 -0.111103 -0.255392 0.044098 0.194548 302 C 22 X 0.301109 -0.086347 0.003236 -0.084998 -0.196823 303 C 22 Y -0.024913 0.023257 -0.073614 0.598853 -0.071392 304 C 22 Z -1.085073 0.070172 0.640335 -0.214991 -0.501833 305 C 22 XX -0.001148 0.037721 0.034118 -0.030677 -0.011504 306 C 22 YY -0.050326 0.001579 -0.005248 0.029397 0.019981 307 C 22 ZZ 0.051474 -0.039300 -0.028870 0.001280 -0.008477 308 C 22 XY 0.002644 0.019997 0.002110 -0.040917 -0.002915 309 C 22 XZ -0.104923 0.061155 0.085618 -0.007475 -0.058079 310 C 22 YZ 0.055038 0.009502 -0.034860 0.018249 0.023126 311 H 23 S -0.072828 0.112308 0.132288 0.138945 -0.184121 312 H 23 S 0.174617 -0.206855 -0.139548 0.267752 0.019830 313 H 23 X 0.002747 -0.052735 -0.026093 0.030816 0.035275 314 H 23 Y 0.039487 -0.019909 -0.013398 -0.026511 0.019885 315 H 23 Z -0.006241 -0.029265 -0.005553 -0.016825 0.003070 316 H 24 S -0.007830 0.092334 0.086351 0.146692 -0.189315 317 H 24 S 0.520937 -0.175707 -0.511412 0.110616 0.542479 318 H 24 X -0.056483 0.042800 0.064816 0.001673 -0.069553 319 H 24 Y 0.037603 0.019544 -0.007731 0.003377 0.017659 320 H 24 Z -0.044557 0.020466 0.054842 0.015394 -0.079831 321 H 25 S 0.026110 -0.055137 0.012629 0.091480 -0.151958 322 H 25 S -0.844956 0.244541 0.488453 -0.126514 -0.164198 323 H 25 X 0.065425 -0.005607 -0.020867 0.011026 -0.002183 324 H 25 Y -0.039463 -0.029183 0.010583 -0.015203 -0.007557 325 H 25 Z -0.094371 0.033367 0.046892 -0.031121 0.007641 326 C 26 S 0.048791 -0.021491 -0.020845 -0.004556 0.007120 327 C 26 S 0.166424 -0.075401 -0.050644 -0.010590 0.021430 328 C 26 S -0.174376 0.084166 0.132077 0.118111 -0.037531 329 C 26 X 0.043954 0.125366 -0.316106 -0.210761 -0.434032 330 C 26 Y 0.299732 0.148359 0.139408 0.002836 0.147965 331 C 26 Z 0.081529 -0.058568 0.069489 0.080378 -0.016147 332 C 26 X -0.112918 -0.402017 0.964674 0.462688 1.114734 333 C 26 Y -0.674817 -0.558076 -0.055763 -0.256931 -0.480999 334 C 26 Z -0.216542 0.153307 0.104950 -0.105302 0.032039 335 C 26 XX 0.063798 -0.011135 0.073367 0.020321 0.060344 336 C 26 YY -0.040339 0.017001 -0.052682 -0.001541 -0.063821 337 C 26 ZZ -0.023458 -0.005866 -0.020685 -0.018781 0.003476 338 C 26 XY 0.068753 0.041416 -0.074635 -0.062521 -0.100013 339 C 26 XZ 0.007344 0.009757 -0.066420 -0.039814 -0.094908 340 C 26 YZ 0.044124 0.048395 0.016485 0.005770 0.057725 341 H 27 S -0.031464 0.064132 -0.004820 -0.045007 -0.101711 342 H 27 S -0.493980 -0.512105 0.698579 0.175349 0.444233 343 H 27 X -0.051397 -0.033702 0.015800 0.035111 0.042224 344 H 27 Y -0.015441 -0.060253 0.039763 0.026611 0.056604 345 H 27 Z 0.000844 -0.034640 0.011262 0.005487 0.043975 346 H 28 S -0.187173 0.084548 0.000856 0.031083 -0.041995 347 H 28 S 0.565666 0.270336 0.223077 0.147418 0.562050 348 H 28 X 0.026124 0.011836 -0.011176 -0.010956 0.007203 349 H 28 Y -0.093635 -0.004609 -0.028747 0.007097 -0.060259 350 H 28 Z 0.046597 0.028775 0.025032 0.012696 0.039219 351 H 29 S -0.115988 0.044108 0.167803 0.028846 0.106040 352 H 29 S -0.075482 0.111965 -0.787200 -0.519856 -1.010341 353 H 29 X 0.002417 -0.005058 0.107126 0.057167 0.106369 354 H 29 Y 0.023871 -0.005219 -0.040178 -0.041760 -0.060981 355 H 29 Z 0.011480 -0.004652 -0.056911 -0.014800 -0.077882 356 C 30 S 0.017198 0.043300 -0.019564 0.026737 0.038079 357 C 30 S 0.075022 0.147993 0.002999 0.038771 0.117451 358 C 30 S -0.224279 -0.435386 0.219755 -0.135137 -0.430409 359 C 30 X -0.021922 -0.306666 -0.046853 -0.182935 0.062396 360 C 30 Y 0.046290 -0.012278 -0.071426 -0.303241 -0.003861 361 C 30 Z -0.023775 -0.059682 -0.025531 0.016327 -0.028326 362 C 30 X -0.031095 0.871961 -0.106407 0.576140 -0.130599 363 C 30 Y 0.052760 -0.110448 0.566264 0.691515 -0.117818 364 C 30 Z 0.181004 0.284419 0.333766 -0.240805 0.270534 365 C 30 XX -0.041768 0.012073 -0.019694 0.089549 0.025232 366 C 30 YY 0.042055 0.022224 0.015600 -0.054543 -0.008229 367 C 30 ZZ -0.000286 -0.034297 0.004094 -0.035006 -0.017003 368 C 30 XY 0.020811 0.099742 0.025409 0.059213 -0.050780 369 C 30 XZ 0.004743 0.057853 0.010491 0.042322 0.012568 370 C 30 YZ -0.009520 -0.004926 0.008696 0.065490 -0.011653 371 H 31 S -0.007165 -0.108010 -0.086618 -0.029069 -0.106122 372 H 31 S -0.151465 -0.086347 0.137038 0.652694 -0.018671 373 H 31 X -0.017468 -0.017306 -0.012186 -0.001319 0.023789 374 H 31 Y -0.015525 0.022761 0.027002 0.050463 0.027509 375 H 31 Z -0.020069 -0.013758 -0.022613 -0.066992 -0.003153 376 H 32 S -0.222430 -0.241388 -0.325737 0.189008 0.011631 377 H 32 S 0.181724 0.780359 -0.256894 0.098449 -0.104528 378 H 32 X 0.047075 0.079343 0.022396 -0.016737 0.002053 379 H 32 Y -0.006203 -0.063770 -0.011079 -0.009073 0.008363 380 H 32 Z -0.008459 -0.065831 -0.035989 0.007155 -0.013898 381 H 33 S -0.067254 0.005165 -0.170711 0.175275 -0.132270 382 H 33 S 0.052957 -0.561475 -0.203738 -0.657068 0.217476 383 H 33 X -0.041300 0.033016 -0.019067 0.099381 -0.016853 384 H 33 Y 0.014354 0.035828 0.020146 0.040917 -0.046684 385 H 33 Z 0.007354 0.033926 0.004107 0.055554 -0.019656 386 H 34 S -0.184797 -0.072485 -0.041891 -0.071652 -0.117960 387 H 34 S 0.470734 0.001561 0.042975 0.074972 -0.205193 388 H 34 X 0.013539 -0.000180 0.021450 0.006495 0.019411 389 H 34 Y -0.015970 -0.004340 0.023746 -0.002777 -0.011330 390 H 34 Z -0.093536 -0.020010 -0.008855 -0.021992 0.006514 391 F 35 S 0.006482 0.000112 -0.000279 0.004932 -0.008185 392 F 35 S 0.008037 -0.005045 0.021107 -0.007607 -0.021393 393 F 35 S -0.106932 -0.026846 0.141457 -0.176646 0.047890 394 F 35 X 0.024181 -0.010517 -0.006048 0.023039 -0.034761 395 F 35 Y -0.023213 0.054360 0.003958 -0.022107 0.024018 396 F 35 Z -0.001013 0.008800 0.023801 -0.013297 -0.038707 397 F 35 X -0.021557 -0.028950 0.070105 -0.056945 0.002723 398 F 35 Y -0.105110 0.083292 0.050048 0.044705 0.037677 399 F 35 Z -0.009080 0.010969 -0.021151 0.022866 -0.024973 400 F 35 XX -0.002342 0.000540 0.003145 -0.003561 0.001000 401 F 35 YY 0.001129 -0.000634 0.000194 -0.000790 0.000325 402 F 35 ZZ 0.001214 0.000093 -0.003339 0.004351 -0.001326 403 F 35 XY -0.003157 0.000089 0.002347 0.003022 0.000113 404 F 35 XZ 0.000494 -0.000670 -0.000638 0.001190 -0.000829 405 F 35 YZ -0.002614 0.001639 0.001111 0.002496 0.000174 406 F 36 S -0.003499 -0.002004 0.009763 -0.010745 -0.016123 407 F 36 S -0.001329 -0.005056 0.022044 -0.027837 -0.034947 408 F 36 S 0.076456 0.016133 -0.065619 0.072364 0.150944 409 F 36 X 0.008764 -0.002652 0.028104 -0.022334 -0.071410 410 F 36 Y -0.010093 -0.017588 0.010356 0.006625 -0.011519 411 F 36 Z -0.016845 -0.007465 0.032836 -0.030211 -0.047013 412 F 36 X 0.019636 -0.009901 -0.045198 0.043299 0.010239 413 F 36 Y -0.095047 0.099546 0.028517 0.050964 0.027431 414 F 36 Z 0.013330 0.012530 -0.005710 -0.005395 0.025167 415 F 36 XX -0.000487 -0.000557 -0.001880 0.001469 -0.002113 416 F 36 YY -0.000959 0.000406 0.003567 -0.003857 -0.002030 417 F 36 ZZ 0.001445 0.000151 -0.001687 0.002387 0.004143 418 F 36 XY -0.005144 0.006822 0.001163 0.002904 0.002780 419 F 36 XZ -0.000207 0.000396 0.001259 -0.000016 0.001345 420 F 36 YZ -0.002575 0.003091 0.001524 -0.000280 0.000268 421 C 37 S -0.008464 0.009195 -0.030970 -0.015793 0.009364 422 C 37 S -0.026190 0.038786 -0.098558 -0.034502 0.006226 423 C 37 S -0.495471 -0.420525 0.060733 -0.548794 0.351503 424 C 37 X -0.172163 0.248258 -0.304030 -0.226834 0.187178 425 C 37 Y -0.119292 -0.028867 -0.005472 -0.073329 0.131565 426 C 37 Z -0.029260 0.031331 -0.111167 0.100115 0.013842 427 C 37 X 0.667753 -0.764372 1.078461 0.907433 -0.543818 428 C 37 Y 0.046087 0.083682 -0.180114 -0.064179 -0.360496 429 C 37 Z -0.005876 -0.052673 0.134555 -0.038640 0.010552 430 C 37 XX 0.033888 -0.042971 0.070150 -0.002744 -0.031212 431 C 37 YY -0.020636 0.024888 -0.042524 -0.019130 0.048385 432 C 37 ZZ -0.013251 0.018083 -0.027625 0.021874 -0.017173 433 C 37 XY -0.027710 0.026737 -0.009516 -0.037216 0.039480 434 C 37 XZ -0.017511 -0.010053 -0.027672 -0.012337 -0.008596 435 C 37 YZ 0.004693 -0.003151 0.011403 -0.015165 0.010951 436 S 38 S 0.009618 0.010433 0.005378 0.014704 -0.013405 437 S 38 S 0.072222 0.077382 0.038344 0.107335 -0.097880 438 S 38 S 0.117894 0.118915 0.052284 0.156760 -0.143540 439 S 38 S -0.062885 0.043195 -0.321915 -0.213656 0.428712 440 S 38 X -0.000678 -0.017536 0.010179 0.006388 -0.007342 441 S 38 Y -0.011939 -0.008397 0.008875 -0.014552 -0.002256 442 S 38 Z 0.030204 -0.012573 0.006626 -0.020092 -0.044320 443 S 38 X 0.015856 -0.084470 0.059397 0.056903 -0.057003 444 S 38 Y -0.046242 -0.026870 0.030349 -0.066670 -0.001785 445 S 38 Z 0.155248 -0.059272 0.034868 -0.098212 -0.216065 446 S 38 X 0.176798 0.357374 -0.172606 -0.194610 0.147612 447 S 38 Y 0.125744 0.113807 0.077524 0.028726 -0.161309 448 S 38 Z -0.177174 0.076758 0.013399 0.108086 0.302521 449 S 38 XX 0.019361 0.008399 0.034862 0.010223 0.037974 450 S 38 YY 0.033726 0.070794 -0.026347 0.061364 -0.046659 451 S 38 ZZ -0.053088 -0.079194 -0.008514 -0.071588 0.008685 452 S 38 XY -0.031038 -0.124755 0.121596 0.096804 -0.019752 453 S 38 XZ -0.019466 -0.031491 0.022433 0.032433 0.083939 454 S 38 YZ 0.098577 -0.030224 0.032226 -0.070487 -0.107614 455 S 38 XX 0.000785 -0.001643 0.005711 0.003146 0.005747 456 S 38 YY 0.005670 0.012890 -0.003890 0.007848 -0.007809 457 S 38 ZZ -0.006454 -0.011247 -0.001821 -0.010993 0.002062 458 S 38 XY -0.002323 -0.014574 0.015158 0.012171 -0.000475 459 S 38 XZ -0.002660 -0.004424 0.001019 0.004573 0.009263 460 S 38 YZ 0.013134 -0.003974 0.004276 -0.009274 -0.014617 461 H 39 S 0.014088 -0.002589 0.110738 -0.010799 -0.051842 462 H 39 S -0.392139 0.599629 -0.863348 -0.424891 0.304388 463 H 39 X 0.038976 -0.071942 0.101445 0.046193 -0.037736 464 H 39 Y -0.015591 0.020117 -0.013215 -0.022397 0.031625 465 H 39 Z -0.003312 -0.009149 -0.004735 -0.012940 0.015267 196 197 198 199 200 0.8873 0.9002 0.9034 0.9094 0.9179 A A A A A 1 C 1 S 0.029696 -0.024075 -0.021644 -0.036289 0.047850 2 C 1 S 0.086458 -0.043708 -0.037445 -0.073821 0.102366 3 C 1 S 0.456099 0.526551 0.207640 0.095267 -0.240228 4 C 1 X 0.072134 0.001229 0.111671 -0.132065 -0.013656 5 C 1 Y -0.260700 0.041926 -0.063633 -0.133577 0.072514 6 C 1 Z 0.160209 0.159169 0.306948 0.050099 0.255549 7 C 1 X -0.047865 -0.381641 -0.001061 0.368378 -0.458909 8 C 1 Y 1.008399 0.118580 0.226972 0.155756 0.230641 9 C 1 Z -0.331808 -0.330831 -0.788121 -0.129774 -0.633579 10 C 1 XX 0.054287 0.011309 0.013701 -0.032430 0.024391 11 C 1 YY -0.032214 0.000281 -0.024405 -0.005490 0.012515 12 C 1 ZZ -0.022072 -0.011590 0.010704 0.037920 -0.036906 13 C 1 XY 0.043687 -0.016557 -0.011323 0.024155 0.020990 14 C 1 XZ -0.008859 0.038778 0.024581 -0.006182 0.029363 15 C 1 YZ 0.000930 0.006606 0.074015 0.015416 0.037624 16 C 2 S -0.008346 -0.031591 -0.056541 -0.053717 0.128403 17 C 2 S -0.023138 -0.082024 -0.128137 -0.142874 0.299044 18 C 2 S -0.679326 -0.652263 -0.250181 0.226706 -0.490754 19 C 2 X 0.131940 -0.004188 0.155314 -0.032152 -0.126383 20 C 2 Y 0.313660 -0.014256 0.016822 0.018741 0.034869 21 C 2 Z -0.031241 -0.097594 -0.035713 -0.002673 -0.065552 22 C 2 X -0.501418 -0.457927 -0.122584 0.040529 0.166592 23 C 2 Y -1.303657 -0.193333 -0.588921 0.005314 0.162614 24 C 2 Z 0.179312 0.416691 0.191527 0.001372 0.448827 25 C 2 XX 0.000213 -0.016739 -0.024179 0.024114 0.017642 26 C 2 YY -0.036194 -0.008146 -0.000391 -0.027455 0.010127 27 C 2 ZZ 0.035981 0.024884 0.024569 0.003341 -0.027769 28 C 2 XY 0.052901 -0.006175 0.049223 0.006390 -0.010468 29 C 2 XZ 0.044661 -0.016118 0.014839 0.000118 0.005794 30 C 2 YZ 0.006486 -0.026543 -0.019261 0.024741 0.000837 31 C 3 S 0.027597 -0.016646 -0.017807 -0.023164 0.049249 32 C 3 S 0.003221 0.007737 -0.029591 -0.071207 0.112907 33 C 3 S -0.072903 -0.260420 0.091595 -0.583129 1.006416 34 C 3 X -0.026383 -0.014975 -0.025269 -0.061080 0.121087 35 C 3 Y 0.149663 0.054775 0.051132 0.005971 0.039296 36 C 3 Z 0.050967 0.136954 -0.192590 0.064980 0.075211 37 C 3 X 0.234665 0.545811 0.136572 0.483068 -1.612697 38 C 3 Y -0.957585 -0.575456 -0.845285 -0.266302 0.329001 39 C 3 Z -0.252890 -0.313176 0.383452 -0.026823 -0.396110 40 C 3 XX -0.055940 -0.004369 -0.009301 -0.053622 0.050449 41 C 3 YY 0.079805 -0.032174 -0.019534 0.007725 0.006951 42 C 3 ZZ -0.023865 0.036543 0.028835 0.045897 -0.057400 43 C 3 XY -0.062543 0.006134 -0.036603 0.020798 -0.041024 44 C 3 XZ 0.020484 -0.016017 -0.042681 -0.028662 0.029822 45 C 3 YZ 0.021132 0.038018 0.016150 -0.038491 0.020347 46 C 4 S 0.078580 -0.023797 -0.054667 0.011808 0.041804 47 C 4 S 0.203501 -0.094642 -0.105505 0.016933 0.099752 48 C 4 S -0.471389 0.143717 0.877601 -0.738788 0.020962 49 C 4 X -0.008918 0.132372 0.079811 -0.072774 0.160756 50 C 4 Y 0.157261 -0.082174 -0.044496 0.162427 -0.062089 51 C 4 Z 0.112436 0.064989 -0.060558 0.049505 0.072098 52 C 4 X -0.058129 -0.704556 -0.674798 0.019355 -0.084930 53 C 4 Y -1.031327 0.693003 0.639046 -0.415843 -0.634934 54 C 4 Z 0.089771 0.020166 -0.426169 0.120135 -0.171363 55 C 4 XX 0.067055 0.004039 -0.026091 0.028352 -0.000071 56 C 4 YY -0.032522 0.008960 0.037605 -0.007662 -0.001484 57 C 4 ZZ -0.034533 -0.012999 -0.011514 -0.020689 0.001555 58 C 4 XY 0.016942 0.002206 -0.013141 0.001075 0.071272 59 C 4 XZ 0.005633 -0.071206 -0.019027 -0.024263 0.001006 60 C 4 YZ -0.005897 -0.005925 -0.011023 0.018228 -0.022407 61 S 5 S 0.020366 -0.005418 -0.008134 0.027368 -0.004382 62 S 5 S 0.144483 -0.038420 -0.058780 0.199723 -0.031660 63 S 5 S 0.182265 -0.055788 -0.080313 0.287789 -0.045059 64 S 5 S -0.851475 0.385412 0.235099 -0.590522 0.036716 65 S 5 X -0.017422 -0.014096 -0.004383 0.004568 0.002817 66 S 5 Y -0.036012 0.003756 0.021043 -0.004528 -0.021068 67 S 5 Z 0.007203 0.009350 -0.033882 -0.005433 -0.033050 68 S 5 X -0.106304 -0.039054 -0.018607 0.006136 0.016064 69 S 5 Y -0.188466 -0.009771 0.113638 -0.037183 -0.100571 70 S 5 Z 0.045309 0.034070 -0.170239 -0.025426 -0.158918 71 S 5 X 0.558352 -0.071023 -0.072057 0.109317 0.049770 72 S 5 Y 0.513039 0.080251 0.102967 0.207033 0.040694 73 S 5 Z -0.038354 0.061011 0.447356 0.017850 0.308834 74 S 5 XX -0.130081 0.040191 -0.020797 0.025461 -0.131764 75 S 5 YY 0.078841 0.030897 -0.042355 0.077243 0.030849 76 S 5 ZZ 0.051240 -0.071088 0.063152 -0.102705 0.100915 77 S 5 XY -0.079240 -0.103147 -0.075805 -0.074631 0.093947 78 S 5 XZ 0.132951 -0.147812 -0.220218 -0.088847 -0.028976 79 S 5 YZ -0.076307 -0.108247 -0.194922 0.058889 -0.224593 80 S 5 XX -0.013037 0.005049 -0.003067 0.004920 -0.017430 81 S 5 YY 0.009896 0.003112 -0.005383 0.010437 0.003100 82 S 5 ZZ 0.003141 -0.008160 0.008450 -0.015357 0.014330 83 S 5 XY -0.005295 -0.010939 -0.008477 -0.008529 0.014648 84 S 5 XZ 0.017373 -0.017456 -0.024723 -0.012501 -0.001316 85 S 5 YZ -0.008390 -0.013497 -0.024102 0.008742 -0.028198 86 H 6 S 0.010608 -0.066698 0.011644 0.122761 -0.036548 87 H 6 S -0.677974 -0.139126 -0.375407 -0.060867 0.205605 88 H 6 X -0.072293 0.001294 -0.023564 -0.024794 0.020861 89 H 6 Y -0.038130 0.006298 -0.038754 -0.014317 0.042575 90 H 6 Z 0.000688 0.034844 0.015792 -0.008518 0.025861 91 C 7 S 0.045448 0.015511 -0.016394 -0.005000 0.002381 92 C 7 S 0.149816 0.017919 -0.057964 -0.001467 0.003750 93 C 7 S 0.864678 0.466583 -0.307690 -1.431441 0.424675 94 C 7 X 0.043800 0.066153 0.009357 -0.009486 -0.078504 95 C 7 Y 0.033286 0.087681 -0.155436 0.045478 0.070233 96 C 7 Z 0.059391 -0.004040 -0.110880 0.103190 0.110945 97 C 7 X -0.786365 0.552704 -0.296533 1.193857 -0.265538 98 C 7 Y -0.689930 -0.747969 0.586150 0.840885 -0.933372 99 C 7 Z -0.023840 -0.147917 0.384153 -0.236331 -0.370193 100 C 7 XX 0.061363 0.019809 -0.045231 -0.021181 0.023446 101 C 7 YY -0.029769 0.028282 0.024053 -0.032678 -0.031810 102 C 7 ZZ -0.031594 -0.048091 0.021178 0.053860 0.008364 103 C 7 XY 0.051152 0.022056 -0.011151 -0.033211 0.043293 104 C 7 XZ -0.000235 0.002393 0.015391 -0.018620 0.025766 105 C 7 YZ 0.002046 0.009373 -0.045897 0.009600 0.036350 106 C 8 S -0.025527 -0.009734 0.012057 0.025541 0.044961 107 C 8 S -0.046202 -0.019031 0.024100 0.031523 0.092094 108 C 8 S -0.238060 0.131452 -0.108352 0.357497 -0.870822 109 C 8 X -0.039744 -0.063427 0.126405 -0.193608 0.205439 110 C 8 Y 0.004561 0.187067 -0.071863 -0.080047 0.128260 111 C 8 Z 0.013976 -0.088533 0.050501 -0.311594 -0.009791 112 C 8 X 0.067011 -0.069441 -0.227425 0.838826 -0.556275 113 C 8 Y -0.062414 0.029114 -0.135915 -0.321491 -0.690188 114 C 8 Z -0.057583 0.230549 -0.182881 0.751103 -0.006335 115 C 8 XX -0.006781 -0.028152 0.005860 0.015116 0.032653 116 C 8 YY -0.010676 0.026221 -0.031985 0.030015 -0.042541 117 C 8 ZZ 0.017457 0.001931 0.026125 -0.045131 0.009888 118 C 8 XY 0.030333 -0.015121 -0.002414 -0.037867 -0.048090 119 C 8 XZ 0.008193 0.037109 -0.009615 0.069474 0.002589 120 C 8 YZ 0.007060 0.062744 0.042841 0.022004 -0.018546 121 C 9 S -0.065653 -0.020004 0.030196 -0.044847 0.034009 122 C 9 S -0.147024 -0.044568 0.062508 -0.087646 0.088416 123 C 9 S 1.383870 -0.120790 -0.643811 0.017226 -0.276073 124 C 9 X 0.028489 -0.083074 0.132272 0.111934 -0.048886 125 C 9 Y 0.028727 -0.073246 -0.027612 0.244526 -0.078307 126 C 9 Z 0.097278 0.127824 0.013150 0.118616 -0.052464 127 C 9 X 0.087162 0.740927 -0.609041 -0.845232 0.149615 128 C 9 Y -0.439910 0.091279 0.406435 -1.338177 -0.224433 129 C 9 Z 0.039567 -0.750442 -0.595389 -0.363868 0.406977 130 C 9 XX -0.032622 -0.008709 0.040669 -0.030168 -0.029543 131 C 9 YY 0.034586 0.020560 -0.036916 -0.002171 0.020047 132 C 9 ZZ -0.001964 -0.011850 -0.003753 0.032339 0.009495 133 C 9 XY 0.005895 0.032451 -0.034019 -0.035941 -0.007531 134 C 9 XZ 0.015810 0.019784 -0.011765 0.018808 0.045061 135 C 9 YZ -0.018089 0.065435 -0.008279 -0.013354 0.009252 136 C 10 S 0.025647 -0.015020 0.002269 0.008753 -0.018438 137 C 10 S 0.069852 -0.026006 -0.018936 0.033233 -0.058885 138 C 10 S -1.064697 -0.091864 -0.294612 1.735098 -1.552434 139 C 10 X 0.004225 0.188365 -0.052247 -0.017456 0.072812 140 C 10 Y 0.000859 -0.010878 0.005460 -0.182835 -0.084166 141 C 10 Z 0.033223 -0.025812 0.082490 -0.168521 -0.184151 142 C 10 X -0.699457 -1.071741 0.495475 0.569896 -0.733682 143 C 10 Y -1.041967 1.042794 -0.192102 1.712653 0.594087 144 C 10 Z 0.193178 0.153544 -0.262750 0.202591 0.584130 145 C 10 XX -0.030421 0.005862 0.009449 0.071885 0.006535 146 C 10 YY -0.004491 -0.022423 0.011992 -0.036593 -0.063839 147 C 10 ZZ 0.034912 0.016561 -0.021441 -0.035293 0.057304 148 C 10 XY 0.021625 -0.030423 0.018120 -0.001407 0.001036 149 C 10 XZ 0.012877 0.005423 0.019417 -0.026831 0.007232 150 C 10 YZ -0.021303 -0.008386 -0.011841 0.050720 -0.024672 151 C 11 S 0.000811 0.022496 -0.001435 0.012791 0.007875 152 C 11 S -0.016803 0.059875 -0.006775 0.042836 0.011480 153 C 11 S -0.181287 1.069413 0.274458 1.851374 -1.016075 154 C 11 X 0.075033 -0.166495 0.002199 -0.063836 0.017477 155 C 11 Y -0.112840 -0.028837 0.095913 -0.014047 -0.227678 156 C 11 Z 0.115421 0.044906 0.147216 0.048851 -0.080308 157 C 11 X 0.574962 0.808991 -0.042238 0.063385 -0.841939 158 C 11 Y -0.126544 0.575993 -0.106555 -0.137865 1.832588 159 C 11 Z -0.172580 -0.004166 -0.252074 -0.107733 0.191298 160 C 11 XX 0.013332 0.000163 0.031813 0.014594 -0.068479 161 C 11 YY -0.002378 0.023824 -0.018994 0.051707 0.041903 162 C 11 ZZ -0.010954 -0.023987 -0.012819 -0.066300 0.026575 163 C 11 XY -0.004952 0.001368 -0.014437 0.008159 0.017935 164 C 11 XZ 0.008002 0.029381 0.001088 -0.018034 -0.005588 165 C 11 YZ 0.031608 0.001913 0.008474 -0.078999 0.017027 166 C 12 S -0.064203 0.020600 0.026512 0.050693 0.015143 167 C 12 S -0.134264 0.052046 0.050795 0.098020 0.048391 168 C 12 S 0.389840 -0.832217 -0.137150 -0.432800 -0.309513 169 C 12 X -0.114973 0.053229 -0.074332 0.170688 0.030039 170 C 12 Y 0.059854 0.015415 -0.048535 -0.009224 0.149305 171 C 12 Z -0.003906 0.103795 0.006885 -0.017324 0.003354 172 C 12 X 0.271174 -0.580548 0.719886 -0.959895 -0.218033 173 C 12 Y 0.391940 -0.321909 0.149326 -0.592946 -0.260322 174 C 12 Z -0.142743 -0.100033 0.046404 0.295559 -0.409432 175 C 12 XX -0.014300 -0.032366 0.028710 -0.011603 -0.029950 176 C 12 YY 0.020900 0.001957 -0.018416 -0.007303 0.031303 177 C 12 ZZ -0.006600 0.030409 -0.010294 0.018906 -0.001353 178 C 12 XY -0.029173 0.027103 -0.014596 0.021464 -0.017947 179 C 12 XZ 0.010495 0.000631 -0.017409 0.001372 0.002709 180 C 12 YZ 0.003563 -0.004689 0.004946 0.023632 0.002206 181 C 13 S -0.018741 0.026127 -0.074145 0.059524 0.069055 182 C 13 S -0.035665 0.058765 -0.156097 0.122703 0.147369 183 C 13 S 0.220015 -0.337793 0.537475 -0.761548 -0.370757 184 C 13 X -0.064422 0.008709 0.018487 0.036280 -0.017803 185 C 13 Y 0.119044 -0.068481 -0.044408 -0.055414 -0.063946 186 C 13 Z 0.027549 -0.037504 -0.144232 0.120220 -0.014263 187 C 13 X -0.023365 0.045892 -0.278863 0.564645 -0.294522 188 C 13 Y -0.333280 0.026489 0.456838 0.171563 -0.037378 189 C 13 Z 0.010695 0.024983 0.552635 -0.774521 0.413230 190 C 13 XX 0.004127 -0.006502 0.050090 -0.057494 0.016356 191 C 13 YY -0.008341 0.002188 -0.022719 0.033848 -0.002677 192 C 13 ZZ 0.004214 0.004314 -0.027371 0.023646 -0.013679 193 C 13 XY 0.004147 0.007607 0.026092 -0.018209 -0.011814 194 C 13 XZ -0.000825 -0.002179 -0.010206 0.000695 0.006478 195 C 13 YZ -0.010801 -0.008800 0.016871 -0.000054 -0.027867 196 C 14 S -0.007874 -0.007355 -0.006379 0.027798 -0.032099 197 C 14 S -0.012272 -0.029759 -0.006122 0.041571 -0.075458 198 C 14 S 0.090809 0.475422 0.053151 -0.276964 0.362988 199 C 14 X 0.032503 -0.017076 0.004840 0.089869 -0.101612 200 C 14 Y -0.045186 -0.013691 -0.021892 0.064562 -0.003909 201 C 14 Z -0.080214 0.041068 0.059607 -0.056736 0.111575 202 C 14 X 0.173939 0.111925 -0.124177 -0.763842 0.537200 203 C 14 Y 0.148422 -0.047797 0.085166 -0.002222 -0.483841 204 C 14 Z 0.260005 -0.082593 -0.218878 0.365596 -0.679014 205 C 14 XX 0.010266 0.033107 -0.013846 0.020951 0.012955 206 C 14 YY -0.016013 0.000200 0.015278 -0.027216 0.023721 207 C 14 ZZ 0.005747 -0.033307 -0.001431 0.006266 -0.036676 208 C 14 XY 0.009342 0.025587 0.000342 -0.024596 -0.010741 209 C 14 XZ -0.018243 -0.004390 0.008934 0.027190 -0.005004 210 C 14 YZ 0.005211 -0.001331 -0.018862 -0.021081 0.052275 211 F 15 S -0.002526 -0.008137 -0.005105 0.006132 -0.007510 212 F 15 S -0.009233 -0.024242 -0.008323 0.006170 -0.007718 213 F 15 S -0.001969 0.050869 0.069471 -0.113401 0.141959 214 F 15 X -0.018633 -0.023114 0.018603 -0.013432 -0.036552 215 F 15 Y -0.015818 0.039708 0.011729 -0.006842 0.030152 216 F 15 Z -0.001177 0.010441 0.013220 -0.028126 0.018204 217 F 15 X -0.036750 0.031837 -0.030556 0.057754 0.035719 218 F 15 Y -0.046499 0.034762 0.002673 0.043313 0.022505 219 F 15 Z 0.011391 0.018971 -0.026655 0.033268 -0.035759 220 F 15 XX -0.002043 0.002057 -0.002410 0.005667 0.002662 221 F 15 YY 0.002749 -0.003880 0.000507 -0.003151 -0.003748 222 F 15 ZZ -0.000706 0.001823 0.001904 -0.002516 0.001085 223 F 15 XY -0.000958 -0.001220 0.005128 -0.002231 -0.001993 224 F 15 XZ -0.000505 -0.002070 0.001647 -0.000271 -0.001753 225 F 15 YZ -0.003635 0.002937 0.002872 -0.000654 -0.000740 226 F 16 S 0.004514 -0.006797 -0.000309 -0.005659 -0.006790 227 F 16 S -0.016381 -0.005367 0.010221 0.010847 -0.027971 228 F 16 S -0.202821 0.114809 0.070040 0.207505 -0.003805 229 F 16 X -0.013927 -0.011648 -0.020467 0.038095 -0.029117 230 F 16 Y -0.026051 0.020604 0.007183 0.031174 0.016672 231 F 16 Z -0.016810 0.042747 -0.004752 0.020382 0.005077 232 F 16 X -0.046926 0.036649 -0.035976 0.097037 0.003984 233 F 16 Y 0.076608 -0.028109 -0.056694 -0.055146 0.062096 234 F 16 Z -0.058791 0.038974 0.025433 0.030762 0.015450 235 F 16 XX -0.002277 0.002953 0.000528 0.000929 0.000883 236 F 16 YY -0.001524 -0.000630 0.000518 0.001320 0.001765 237 F 16 ZZ 0.003801 -0.002322 -0.001046 -0.002249 -0.002648 238 F 16 XY 0.000759 -0.001911 0.000748 -0.000574 -0.001101 239 F 16 XZ -0.000076 -0.000971 0.001084 -0.000200 0.001053 240 F 16 YZ 0.000343 0.000420 -0.000783 -0.000868 -0.004498 241 F 17 S -0.007525 0.005911 0.004428 -0.000599 0.011521 242 F 17 S -0.010312 0.012807 0.012780 0.013993 -0.007951 243 F 17 S 0.112051 -0.062778 -0.023699 0.105238 -0.340288 244 F 17 X -0.012502 0.008154 -0.016251 0.053142 -0.000301 245 F 17 Y -0.050042 0.022558 -0.010469 -0.008337 0.054414 246 F 17 Z -0.011880 -0.008649 0.000075 0.004320 0.018811 247 F 17 X 0.011828 0.013809 -0.001796 0.064417 -0.057524 248 F 17 Y 0.023842 -0.006404 0.005163 0.051684 -0.096239 249 F 17 Z 0.010001 -0.009070 0.010041 0.016362 -0.065505 250 F 17 XX 0.000166 -0.000030 0.001403 -0.001477 0.001128 251 F 17 YY 0.001266 -0.002286 -0.002213 0.002159 -0.004048 252 F 17 ZZ -0.001432 0.002316 0.000810 -0.000682 0.002920 253 F 17 XY 0.000885 -0.001110 0.002883 -0.000110 -0.000460 254 F 17 XZ 0.000807 -0.001764 -0.001068 -0.001245 -0.001135 255 F 17 YZ 0.003151 -0.000356 0.000719 0.000057 -0.006436 256 F 18 S 0.003697 0.004822 -0.006556 0.012234 -0.005675 257 F 18 S 0.005807 0.016858 -0.015174 0.024584 0.010276 258 F 18 S -0.058163 0.002110 0.062851 -0.146899 0.207033 259 F 18 X 0.031269 0.030154 0.033573 -0.001505 -0.012958 260 F 18 Y -0.022461 0.017654 -0.016171 0.037468 0.010765 261 F 18 Z -0.013680 0.015549 0.025082 -0.029957 0.046877 262 F 18 X -0.009838 0.007943 0.014096 0.034101 0.008787 263 F 18 Y -0.015490 0.014293 -0.005954 -0.013009 0.079259 264 F 18 Z -0.001346 0.005915 0.002679 0.016135 -0.048688 265 F 18 XX 0.000557 -0.003555 -0.000713 0.002544 -0.006431 266 F 18 YY 0.001236 -0.000428 -0.000669 -0.000285 0.000255 267 F 18 ZZ -0.001793 0.003983 0.001382 -0.002260 0.006176 268 F 18 XY -0.001921 -0.001097 -0.003025 0.003754 0.000950 269 F 18 XZ 0.002377 0.000727 -0.000641 0.001330 -0.002592 270 F 18 YZ 0.000735 0.000328 -0.002026 0.003002 -0.001758 271 C 19 S 0.014772 -0.135349 0.060921 0.100873 0.127790 272 C 19 S 0.046702 -0.386582 0.172456 0.301862 0.327063 273 C 19 S -0.047607 0.668333 -0.175757 -0.666701 -0.205392 274 C 19 X 0.116583 0.039718 -0.066158 -0.079839 0.192964 275 C 19 Y -0.047347 -0.195512 0.124705 0.100260 0.209318 276 C 19 Z 0.088307 0.093551 0.187459 0.004245 -0.032111 277 C 19 X -0.328209 0.042461 0.117709 0.012671 -0.772935 278 C 19 Y 0.168502 0.514974 -0.420486 -0.097541 -0.804268 279 C 19 Z -0.180938 -0.418607 -0.460990 -0.322927 -0.005153 280 C 19 XX -0.040942 -0.034895 0.029894 0.048258 -0.015181 281 C 19 YY 0.030880 -0.014323 0.015228 -0.000659 0.085940 282 C 19 ZZ 0.010061 0.049218 -0.045122 -0.047599 -0.070759 283 C 19 XY 0.003672 -0.036964 0.042646 -0.001177 0.098572 284 C 19 XZ 0.006829 -0.040441 0.021485 -0.042309 -0.001722 285 C 19 YZ -0.024912 -0.043321 -0.043392 0.016293 0.041607 286 H 20 S -0.051126 0.139961 -0.068576 -0.143748 -0.027235 287 H 20 S 0.314339 -0.158205 -0.022419 0.097463 0.566235 288 H 20 X -0.052297 0.034840 0.004601 -0.026467 -0.072747 289 H 20 Y 0.000734 -0.043474 0.038027 0.001447 0.059294 290 H 20 Z 0.002269 -0.031260 0.008842 -0.044721 -0.005113 291 H 21 S -0.032149 0.187830 -0.092025 -0.259523 -0.163716 292 H 21 S -0.222527 -0.689338 -0.012818 0.286902 0.541228 293 H 21 X -0.003057 0.005123 0.000912 0.053803 0.034030 294 H 21 Y 0.023753 0.087194 -0.016957 -0.024130 -0.027676 295 H 21 Z -0.011868 -0.105256 0.007898 0.091419 0.084272 296 C 22 S -0.130633 0.003840 -0.075769 0.003092 0.111972 297 C 22 S -0.396581 0.020597 -0.219876 0.000899 0.314597 298 C 22 S 0.985107 0.058119 0.405068 -0.124173 -0.324020 299 C 22 X 0.047248 0.064449 -0.217242 0.066732 0.108103 300 C 22 Y 0.057169 0.053687 -0.050144 -0.039554 -0.045770 301 C 22 Z 0.059505 0.122275 0.003584 -0.031255 0.047330 302 C 22 X -0.203338 -0.089617 0.445125 -0.132569 -0.207225 303 C 22 Y 0.036804 -0.031479 0.030423 0.029459 0.370250 304 C 22 Z 0.003908 -0.183098 0.361895 0.129538 0.157262 305 C 22 XX 0.040946 0.004373 -0.023925 0.003542 0.024237 306 C 22 YY -0.014745 0.007090 -0.048522 0.013526 0.039895 307 C 22 ZZ -0.026200 -0.011463 0.072446 -0.017068 -0.064132 308 C 22 XY 0.014501 0.028861 -0.026902 -0.005502 -0.020447 309 C 22 XZ -0.042940 -0.047855 -0.031919 -0.003629 -0.038461 310 C 22 YZ -0.012855 0.003846 -0.049683 -0.012163 -0.018445 311 H 23 S 0.297527 0.005111 0.036012 0.053444 -0.098614 312 H 23 S -0.408688 -0.109475 0.228082 -0.024552 0.180555 313 H 23 X -0.090121 -0.018456 0.009020 0.010307 0.023554 314 H 23 Y -0.063075 -0.013363 0.018769 -0.021763 0.031719 315 H 23 Z 0.022758 0.016616 0.049862 0.008767 0.034807 316 H 24 S 0.205864 -0.069169 0.084166 -0.029040 -0.227302 317 H 24 S -0.050190 0.297792 -0.432607 0.030515 0.407142 318 H 24 X 0.048950 -0.025609 0.026684 -0.004496 -0.035148 319 H 24 Y -0.033612 -0.010151 -0.062561 -0.004367 -0.035692 320 H 24 Z 0.036967 -0.044821 0.064869 -0.006549 -0.101358 321 H 25 S 0.277037 -0.006080 0.246588 -0.005685 -0.141433 322 H 25 S -0.288275 -0.141446 -0.334344 0.125420 0.305977 323 H 25 X 0.067677 0.012819 0.033991 -0.007094 -0.012465 324 H 25 Y 0.022438 0.016947 0.044029 0.018238 0.027731 325 H 25 Z -0.076181 -0.011604 -0.088185 0.014927 0.064822 326 C 26 S 0.044091 0.006174 0.021368 0.003155 -0.032670 327 C 26 S 0.109566 0.016299 0.037930 0.006691 -0.110975 328 C 26 S -0.329672 -0.331721 -0.395668 -0.337309 0.347590 329 C 26 X -0.155029 -0.176209 -0.075289 -0.123502 0.044202 330 C 26 Y 0.155965 0.044107 -0.257846 -0.132472 0.087122 331 C 26 Z 0.069103 0.044979 -0.008691 0.034694 0.026065 332 C 26 X 0.441366 0.381624 0.244847 0.381389 0.016813 333 C 26 Y -0.194118 0.063903 0.498693 0.397504 -0.074969 334 C 26 Z -0.263738 -0.355861 0.065726 -0.516997 0.016602 335 C 26 XX 0.072627 0.076981 -0.047930 -0.001668 0.001221 336 C 26 YY -0.035773 -0.059511 0.041461 0.033944 0.004104 337 C 26 ZZ -0.036853 -0.017470 0.006469 -0.032276 -0.005324 338 C 26 XY -0.000774 0.008812 -0.039098 -0.053193 0.025576 339 C 26 XZ -0.044544 -0.046578 -0.010166 -0.032106 -0.046188 340 C 26 YZ 0.000036 -0.040279 -0.032975 -0.044298 0.007285 341 H 27 S 0.055753 0.097140 0.033342 -0.127193 0.109165 342 H 27 S 0.049393 0.082707 0.456295 0.413611 -0.111399 343 H 27 X -0.021139 -0.010611 0.052591 0.051220 -0.032710 344 H 27 Y 0.020290 0.030313 0.032323 0.015852 -0.040427 345 H 27 Z 0.034826 0.036721 0.018789 0.060812 -0.002935 346 H 28 S -0.051125 -0.130424 0.101362 0.034934 0.051830 347 H 28 S 0.260565 0.081442 -0.332880 -0.439991 -0.035817 348 H 28 X 0.017329 0.001512 -0.005153 -0.022050 0.015038 349 H 28 Y -0.050757 -0.033911 0.066945 0.022948 0.018744 350 H 28 Z 0.019346 -0.010369 -0.021301 -0.018146 0.013582 351 H 29 S 0.023257 0.034343 0.039365 -0.020794 0.084950 352 H 29 S -0.404389 -0.360372 0.160031 -0.251604 -0.127827 353 H 29 X 0.058217 0.067651 -0.023844 0.019061 0.021124 354 H 29 Y -0.002228 0.022093 -0.010504 0.009069 0.004523 355 H 29 Z -0.013190 -0.009321 -0.026708 -0.004122 -0.030722 356 C 30 S -0.010121 0.019954 0.001969 0.050956 -0.017957 357 C 30 S -0.086540 0.066341 0.046175 0.130549 -0.059241 358 C 30 S 0.013473 -0.124442 0.121935 -0.218569 0.240195 359 C 30 X 0.191804 -0.373173 -0.124847 -0.042470 -0.057474 360 C 30 Y 0.167173 0.141978 -0.082408 0.006114 0.033839 361 C 30 Z 0.020604 -0.004742 0.032317 0.067137 0.009181 362 C 30 X -0.524609 1.134059 0.511310 0.087035 -0.140003 363 C 30 Y -0.125973 -0.457819 0.064084 0.125919 0.090292 364 C 30 Z -0.338174 -0.004005 0.006038 -0.324011 -0.156146 365 C 30 XX -0.049810 -0.020954 0.026111 -0.033608 -0.008925 366 C 30 YY 0.040572 0.003182 -0.026054 -0.003053 0.002925 367 C 30 ZZ 0.009237 0.017772 -0.000057 0.036661 0.006000 368 C 30 XY -0.047427 0.110281 0.035201 0.001688 0.039892 369 C 30 XZ -0.044317 0.078130 0.031917 0.031700 -0.011641 370 C 30 YZ 0.000822 -0.034875 0.026156 0.027692 -0.005450 371 H 31 S 0.228295 -0.019224 -0.204592 0.005360 0.083852 372 H 31 S -0.097361 -0.256004 0.215387 0.182766 0.076979 373 H 31 X -0.002118 -0.005644 -0.009446 0.003247 -0.010062 374 H 31 Y -0.083829 -0.008888 0.060520 0.010974 -0.014140 375 H 31 Z 0.015886 0.043475 -0.017804 -0.029966 0.029644 376 H 32 S 0.194549 -0.112564 -0.135935 -0.026451 -0.040669 377 H 32 S -0.223445 1.087231 0.341834 0.195648 -0.122671 378 H 32 X -0.024396 0.096996 0.032128 0.039235 -0.007771 379 H 32 Y 0.053694 -0.078799 -0.025708 0.004654 -0.021106 380 H 32 Z 0.055466 -0.050619 -0.026803 0.003099 -0.013076 381 H 33 S 0.185394 0.038938 -0.052602 -0.028566 0.120939 382 H 33 S 0.395986 -0.680519 -0.492003 0.069701 -0.031642 383 H 33 X -0.042363 0.051380 0.026063 -0.019905 0.015130 384 H 33 Y -0.002417 0.046182 0.003783 -0.010373 0.022058 385 H 33 Z -0.001362 0.006822 0.008074 0.032606 0.009979 386 H 34 S -0.063383 0.293105 -0.111331 -0.132046 -0.133552 387 H 34 S 0.068467 -0.234841 0.622495 0.367114 0.312901 388 H 34 X 0.009131 -0.043889 0.030967 -0.016702 0.017799 389 H 34 Y -0.000581 0.022735 -0.047171 -0.041335 -0.002133 390 H 34 Z -0.021179 0.076821 -0.086838 -0.075001 -0.057915 391 F 35 S 0.000582 -0.003189 0.006798 -0.015134 0.005584 392 F 35 S -0.006722 -0.002767 -0.013393 0.008842 0.002880 393 F 35 S -0.050300 0.055694 -0.261645 0.422621 -0.103101 394 F 35 X -0.009736 -0.011998 0.036793 -0.054095 0.009243 395 F 35 Y 0.047751 -0.014269 0.007457 -0.026793 -0.039066 396 F 35 Z 0.008971 -0.013099 -0.036555 -0.001261 0.016520 397 F 35 X -0.031627 0.023039 -0.109763 0.168632 -0.034638 398 F 35 Y 0.025976 -0.011212 -0.041033 0.000040 -0.020655 399 F 35 Z 0.018080 -0.018761 0.016167 -0.031506 -0.023653 400 F 35 XX 0.001399 0.000737 -0.007456 0.006116 0.001520 401 F 35 YY -0.001575 0.000342 0.002959 -0.000126 -0.000683 402 F 35 ZZ 0.000177 -0.001079 0.004497 -0.005990 -0.000837 403 F 35 XY -0.000879 -0.000495 -0.002812 0.001675 0.002227 404 F 35 XZ -0.000631 -0.000295 0.003886 -0.001148 -0.002641 405 F 35 YZ -0.001048 0.000736 -0.001226 0.000480 0.000684 406 F 36 S -0.002883 -0.003799 -0.008163 0.015080 -0.008243 407 F 36 S -0.009456 -0.008641 -0.008856 0.023367 -0.002761 408 F 36 S -0.005186 0.040839 0.135807 -0.211704 0.199210 409 F 36 X -0.010123 -0.018591 -0.021932 0.010322 0.004612 410 F 36 Y -0.008952 -0.022282 0.001704 -0.004394 0.015747 411 F 36 Z 0.000886 -0.015814 -0.029432 0.046131 -0.031266 412 F 36 X 0.010948 -0.006211 0.050086 -0.064804 0.006578 413 F 36 Y 0.029970 -0.000233 -0.032730 -0.018163 -0.027201 414 F 36 Z -0.004042 0.006706 0.016690 -0.036124 0.066804 415 F 36 XX 0.001702 -0.001520 0.000006 -0.001452 -0.002159 416 F 36 YY -0.000300 -0.000378 -0.004270 0.004779 -0.001038 417 F 36 ZZ -0.001401 0.001897 0.004263 -0.003327 0.003197 418 F 36 XY 0.002806 0.000607 -0.001669 -0.001763 -0.002376 419 F 36 XZ -0.000427 0.001153 -0.000526 0.001221 -0.000403 420 F 36 YZ 0.001936 -0.000111 -0.002144 0.001104 0.000106 421 C 37 S 0.045179 -0.032235 0.003327 0.027587 0.040382 422 C 37 S 0.123092 -0.046681 -0.022442 0.052258 0.112686 423 C 37 S -0.084878 0.064501 0.085168 0.240994 -0.208364 424 C 37 X -0.016606 -0.211917 0.104070 0.098536 0.091128 425 C 37 Y -0.119056 0.075953 0.017193 0.045704 -0.033915 426 C 37 Z -0.027169 -0.197477 -0.160768 0.131556 0.004647 427 C 37 X -0.076066 0.614585 -0.300151 -0.347999 -0.474066 428 C 37 Y 0.374375 0.295769 -0.393218 -0.951306 0.080757 429 C 37 Z 0.137901 0.485568 0.440256 -0.568869 -0.145550 430 C 37 XX 0.048184 0.050028 -0.039440 0.012910 0.011564 431 C 37 YY -0.015704 -0.072624 0.049727 0.017008 0.012228 432 C 37 ZZ -0.032480 0.022596 -0.010286 -0.029917 -0.023791 433 C 37 XY -0.021427 -0.011541 0.016249 0.057492 0.017128 434 C 37 XZ 0.002529 0.012067 0.045816 0.038864 -0.017007 435 C 37 YZ 0.019586 -0.033485 0.012859 0.000893 -0.008458 436 S 38 S -0.021222 -0.023107 0.032465 -0.022829 0.003279 437 S 38 S -0.152975 -0.169381 0.236949 -0.166804 0.026101 438 S 38 S -0.207509 -0.247725 0.341608 -0.242022 0.049263 439 S 38 S 0.619403 0.545195 -0.766762 0.407901 0.197191 440 S 38 X -0.005338 -0.001328 -0.012784 0.012791 0.023268 441 S 38 Y 0.010599 -0.014908 -0.004079 0.017274 0.031114 442 S 38 Z 0.000281 0.025037 0.009999 0.069771 0.003684 443 S 38 X -0.035287 -0.013179 -0.042676 0.046883 0.125842 444 S 38 Y 0.063045 -0.061200 -0.034738 0.084772 0.161996 445 S 38 Z 0.003843 0.125742 0.050926 0.336381 0.015943 446 S 38 X 0.139483 -0.095899 0.078890 0.187945 -0.286397 447 S 38 Y -0.345540 -0.132593 0.292181 0.094649 -0.470655 448 S 38 Z 0.014500 -0.176620 -0.087746 -0.515085 0.009385 449 S 38 XX -0.062227 -0.083303 0.069374 0.143113 0.005115 450 S 38 YY 0.000160 0.025249 0.062754 -0.167142 0.046910 451 S 38 ZZ 0.062067 0.058054 -0.132128 0.024029 -0.052026 452 S 38 XY -0.050788 0.022720 -0.014968 0.070561 -0.033710 453 S 38 XZ 0.013601 -0.121238 0.120685 -0.217038 -0.082165 454 S 38 YZ 0.007488 -0.020437 0.063269 0.117380 -0.028947 455 S 38 XX -0.007695 -0.011751 0.009112 0.015778 0.005734 456 S 38 YY -0.003842 0.002800 0.011447 -0.020952 0.000378 457 S 38 ZZ 0.011537 0.008950 -0.020558 0.005175 -0.006112 458 S 38 XY -0.005240 0.001523 -0.001401 0.007087 -0.008070 459 S 38 XZ 0.001623 -0.015241 0.015586 -0.025502 -0.011075 460 S 38 YZ 0.001226 -0.002529 0.007135 0.016294 -0.002678 461 H 39 S 0.080217 -0.069615 0.079243 -0.163072 0.153502 462 H 39 S -0.084034 -0.318553 0.165930 0.084854 0.225689 463 H 39 X 0.001535 0.057814 -0.016750 -0.035306 -0.019551 464 H 39 Y -0.000965 0.001471 -0.004958 0.017822 0.008949 465 H 39 Z 0.010954 0.008678 0.027214 -0.009861 -0.017815 201 202 203 204 205 0.9237 0.9274 0.9327 0.9350 0.9475 A A A A A 1 C 1 S -0.027932 0.050470 -0.114154 0.010636 0.006638 2 C 1 S -0.036563 0.103665 -0.240735 -0.001520 0.026588 3 C 1 S 0.603625 -0.061461 0.684399 0.465644 0.099908 4 C 1 X 0.034746 0.015455 -0.116937 0.091790 0.094036 5 C 1 Y 0.192587 0.015039 0.048461 -0.312791 0.063703 6 C 1 Z -0.102511 0.086595 0.056012 -0.076991 -0.132356 7 C 1 X 0.306609 -0.398094 0.234783 -1.099991 -0.643412 8 C 1 Y -0.525609 0.588290 -0.375990 1.510440 0.055137 9 C 1 Z 0.260814 -0.179575 -0.124653 0.300952 0.443560 10 C 1 XX -0.017575 0.049399 -0.055112 0.105288 0.011813 11 C 1 YY 0.030573 -0.013663 0.014007 -0.083854 -0.012819 12 C 1 ZZ -0.012999 -0.035736 0.041106 -0.021434 0.001005 13 C 1 XY -0.083280 0.024213 -0.015291 0.044185 -0.026086 14 C 1 XZ 0.027525 -0.018511 -0.027086 -0.015141 -0.026253 15 C 1 YZ -0.011452 0.036661 0.008730 0.000654 -0.011874 16 C 2 S 0.027408 0.070085 -0.040304 -0.055508 0.020538 17 C 2 S 0.065330 0.156897 -0.110393 -0.128752 0.057785 18 C 2 S -0.649767 -0.903068 -0.330685 -1.524906 -0.775850 19 C 2 X -0.005561 0.051526 -0.082527 0.262127 -0.045080 20 C 2 Y 0.140206 0.121079 -0.009697 0.108261 -0.034855 21 C 2 Z 0.012711 0.039764 0.042197 0.057677 0.106730 22 C 2 X 0.198648 -0.197709 0.224076 -1.515474 -0.249354 23 C 2 Y -0.860652 -0.593413 -0.094904 -0.962486 0.039041 24 C 2 Z -0.099164 -0.130848 0.019454 -0.141358 -0.527484 25 C 2 XX 0.012000 0.011762 0.001749 -0.063873 -0.025006 26 C 2 YY -0.020150 -0.009242 0.001191 0.003931 0.008642 27 C 2 ZZ 0.008149 -0.002520 -0.002940 0.059941 0.016363 28 C 2 XY 0.027197 0.035208 0.031981 0.057030 0.000026 29 C 2 XZ -0.035055 0.021110 0.039308 0.011589 -0.001545 30 C 2 YZ -0.014500 0.003258 0.027087 0.008136 -0.018149 31 C 3 S 0.021679 0.042979 0.046951 -0.027635 -0.036990 32 C 3 S 0.062246 0.086262 0.119870 -0.092226 -0.050450 33 C 3 S 1.578753 0.962796 -0.239143 0.069115 1.129550 34 C 3 X -0.034463 0.021672 -0.011756 -0.256389 -0.025728 35 C 3 Y 0.057235 0.114082 0.035726 0.064672 0.036941 36 C 3 Z 0.071954 -0.220172 0.095767 -0.012127 -0.374021 37 C 3 X -0.347448 -1.020873 -0.769711 1.372181 0.196752 38 C 3 Y -0.888014 -0.684416 -1.146426 -1.261175 -0.091407 39 C 3 Z -0.125061 0.378581 -0.493800 0.030009 1.043897 40 C 3 XX 0.022954 -0.000613 0.020401 -0.011324 0.036673 41 C 3 YY 0.047984 0.042018 -0.027664 -0.015618 -0.013044 42 C 3 ZZ -0.070938 -0.041405 0.007263 0.026942 -0.023629 43 C 3 XY 0.025244 -0.024061 0.014152 0.017211 0.030662 44 C 3 XZ 0.025214 -0.006183 0.016032 0.015420 -0.047433 45 C 3 YZ 0.017838 -0.007206 -0.011430 -0.012595 -0.004553 46 C 4 S -0.030042 0.026175 -0.038676 0.008834 -0.019217 47 C 4 S -0.073609 0.107658 -0.096102 0.003138 -0.078048 48 C 4 S 0.459044 0.476956 0.634132 -0.330441 0.169335 49 C 4 X -0.191622 0.058661 0.004066 -0.137534 0.044164 50 C 4 Y -0.157233 0.020344 0.095482 -0.034696 -0.111935 51 C 4 Z 0.119555 -0.002576 -0.065601 0.045318 0.071921 52 C 4 X 0.722284 -0.037023 -0.328992 0.092731 0.265478 53 C 4 Y 0.156078 -0.497274 -0.672280 0.575682 1.085392 54 C 4 Z -0.695525 -0.433732 0.450949 -0.309407 -0.322433 55 C 4 XX 0.031346 0.027146 0.025963 -0.014317 -0.025980 56 C 4 YY -0.013227 -0.014546 -0.010179 0.003292 0.022519 57 C 4 ZZ -0.018119 -0.012600 -0.015784 0.011025 0.003461 58 C 4 XY -0.006141 0.032281 0.016481 -0.048779 -0.067562 59 C 4 XZ -0.001940 0.040716 0.021088 0.012736 0.052999 60 C 4 YZ -0.025035 -0.033330 0.012584 -0.043132 0.010287 61 S 5 S -0.009158 0.004941 0.004726 0.023977 -0.022520 62 S 5 S -0.070048 0.035384 0.033324 0.175314 -0.163977 63 S 5 S -0.118001 0.048718 0.044986 0.255255 -0.233137 64 S 5 S -0.099177 -0.288043 -0.148703 -0.553371 0.558258 65 S 5 X -0.024650 0.000756 0.003276 0.014046 0.003293 66 S 5 Y 0.046611 -0.019057 0.004721 -0.032963 0.003661 67 S 5 Z 0.029853 -0.029814 0.008573 0.005557 0.005795 68 S 5 X -0.120490 -0.007918 0.006301 0.044749 0.033222 69 S 5 Y 0.235210 -0.075542 0.013112 -0.167475 0.004450 70 S 5 Z 0.138886 -0.143694 0.048767 0.025432 0.019734 71 S 5 X 0.286725 0.200949 0.046734 0.149979 -0.165775 72 S 5 Y -0.602521 0.152047 0.014574 0.389589 -0.297324 73 S 5 Z -0.290552 0.209859 -0.081597 -0.030318 -0.036376 74 S 5 XX -0.014820 -0.183072 -0.026883 -0.040392 0.040170 75 S 5 YY -0.058489 0.059108 0.044391 0.160083 -0.079014 76 S 5 ZZ 0.073309 0.123964 -0.017508 -0.119691 0.038844 77 S 5 XY -0.020098 0.057139 -0.049726 -0.080721 -0.023782 78 S 5 XZ -0.000768 0.010033 0.079913 -0.099387 0.001835 79 S 5 YZ -0.032469 -0.045184 0.025765 0.072954 0.139880 80 S 5 XX -0.002892 -0.023009 -0.003280 -0.001972 0.004667 81 S 5 YY -0.005464 0.007564 0.006294 0.020493 -0.010703 82 S 5 ZZ 0.008356 0.015445 -0.003014 -0.018521 0.006035 83 S 5 XY -0.011409 0.009568 -0.007372 -0.005307 -0.005978 84 S 5 XZ -0.001501 0.002216 0.009445 -0.012945 0.001033 85 S 5 YZ -0.004403 -0.005419 0.004273 0.008476 0.017157 86 H 6 S -0.060561 0.008216 0.091288 0.083713 -0.031394 87 H 6 S -0.192025 -0.311387 -0.107083 -1.047271 0.029235 88 H 6 X -0.009453 -0.019530 -0.024854 -0.059317 0.019942 89 H 6 Y -0.009004 -0.007419 0.003420 -0.051450 0.020171 90 H 6 Z 0.010529 -0.010831 -0.013792 -0.010686 -0.024953 91 C 7 S -0.027455 -0.012620 -0.073917 -0.063385 0.055140 92 C 7 S -0.087825 -0.060135 -0.179497 -0.145794 0.082917 93 C 7 S -0.651851 -1.504877 0.299904 0.039761 -1.064538 94 C 7 X -0.000988 0.091117 0.002936 0.003379 -0.134156 95 C 7 Y -0.021251 -0.154503 0.068550 -0.130369 0.311801 96 C 7 Z 0.120638 -0.034094 0.000939 0.025344 -0.343079 97 C 7 X 0.244755 0.168898 1.174284 0.093216 1.607095 98 C 7 Y -0.205592 1.033756 -0.538260 -0.057437 -1.071837 99 C 7 Z -0.355737 0.028418 -0.197333 0.012208 0.606235 100 C 7 XX -0.030609 -0.085009 -0.013126 -0.057488 0.023858 101 C 7 YY 0.012402 0.059401 0.015363 0.026087 -0.014732 102 C 7 ZZ 0.018206 0.025608 -0.002237 0.031401 -0.009126 103 C 7 XY 0.036938 -0.013773 -0.023965 0.039698 -0.024827 104 C 7 XZ 0.011433 -0.011857 0.022801 0.031628 -0.058877 105 C 7 YZ 0.040688 -0.001346 -0.027685 -0.004672 -0.054141 106 C 8 S -0.013208 -0.041306 0.023203 0.028378 -0.034442 107 C 8 S -0.033664 -0.062203 0.061092 0.040380 -0.095090 108 C 8 S -0.053653 0.376613 -0.051862 -0.000634 -0.117176 109 C 8 X 0.148295 -0.063312 -0.084052 0.151066 0.033908 110 C 8 Y -0.004712 -0.232057 -0.047222 0.313707 -0.030024 111 C 8 Z -0.152552 -0.252173 0.353835 0.037810 -0.069925 112 C 8 X -0.313107 0.702238 0.341156 -0.489522 -0.027603 113 C 8 Y 0.184536 1.496123 0.015342 -1.318771 0.587596 114 C 8 Z 0.422138 0.716216 -0.826022 -0.135281 0.235237 115 C 8 XX 0.005602 -0.011824 0.004996 -0.018832 0.018597 116 C 8 YY -0.023029 -0.018671 0.011706 0.033934 -0.021902 117 C 8 ZZ 0.017427 0.030495 -0.016702 -0.015102 0.003305 118 C 8 XY 0.002643 0.099928 0.009713 -0.073831 -0.027584 119 C 8 XZ 0.017222 0.028230 -0.053740 -0.012785 0.005839 120 C 8 YZ -0.020808 -0.026823 -0.006261 -0.011114 0.007398 121 C 9 S 0.074413 -0.019012 -0.003006 0.001920 0.007331 122 C 9 S 0.188944 -0.023386 0.008241 -0.016211 0.023453 123 C 9 S -1.375280 0.313357 -0.047424 -0.620925 -1.130122 124 C 9 X 0.138130 0.085620 -0.085336 0.174787 -0.110834 125 C 9 Y -0.076905 -0.015562 0.135089 -0.093353 -0.026350 126 C 9 Z -0.117915 -0.000669 0.139804 -0.017822 0.120484 127 C 9 X -0.720476 -0.793630 0.481483 -0.504958 0.584354 128 C 9 Y 0.222554 0.281615 -1.125918 0.293243 0.212222 129 C 9 Z 0.703880 0.350461 -0.886909 0.080373 -1.133079 130 C 9 XX 0.025799 0.071993 -0.041043 -0.028722 -0.006528 131 C 9 YY -0.027038 -0.056803 0.015927 0.023578 -0.007238 132 C 9 ZZ 0.001239 -0.015190 0.025116 0.005144 0.013766 133 C 9 XY -0.021801 -0.028439 0.021854 -0.002775 0.026952 134 C 9 XZ 0.017471 0.042827 -0.013296 -0.043336 0.031865 135 C 9 YZ 0.024150 -0.044014 -0.013040 0.009438 0.034015 136 C 10 S 0.000694 -0.044927 -0.108356 -0.012255 0.003532 137 C 10 S -0.020056 -0.105536 -0.257968 -0.068512 0.027865 138 C 10 S -1.161175 -0.222239 -0.737886 -1.050069 -0.110239 139 C 10 X 0.091239 0.051583 0.229372 0.038722 0.158611 140 C 10 Y -0.058669 -0.097431 -0.233548 -0.021017 -0.016473 141 C 10 Z -0.060193 -0.001404 -0.102784 0.131142 0.158861 142 C 10 X -0.117417 0.896187 -1.218393 -0.504872 0.038246 143 C 10 Y 1.595570 1.462892 3.234385 1.141076 1.762265 144 C 10 Z 0.128236 -0.072784 0.305058 -0.332842 -0.499064 145 C 10 XX 0.025228 0.059542 0.054196 0.017035 0.023813 146 C 10 YY -0.040673 -0.066389 -0.122890 -0.025042 -0.024145 147 C 10 ZZ 0.015445 0.006847 0.068694 0.008007 0.000333 148 C 10 XY -0.002046 0.011609 -0.016359 0.028875 0.024945 149 C 10 XZ -0.016953 0.019441 0.005459 -0.002241 0.037153 150 C 10 YZ 0.016141 0.001919 -0.011124 0.002627 0.006026 151 C 11 S 0.030394 0.026605 0.027556 0.064473 0.013684 152 C 11 S 0.086836 0.064636 0.080464 0.171095 0.022814 153 C 11 S 0.646362 0.062161 1.499912 1.909227 0.441586 154 C 11 X -0.101549 -0.043306 -0.172475 -0.100112 -0.149416 155 C 11 Y -0.094581 -0.100754 -0.243297 -0.016642 -0.166315 156 C 11 Z -0.149864 0.093462 -0.036053 -0.018212 0.252546 157 C 11 X -0.038926 -0.545639 1.012829 1.067259 0.110242 158 C 11 Y 2.041052 1.752720 3.207933 1.110553 1.474694 159 C 11 Z 0.419252 -0.226320 0.162516 0.270771 -0.658034 160 C 11 XX -0.020908 -0.016948 -0.046606 0.053318 -0.025863 161 C 11 YY 0.046327 0.039668 0.098678 0.022609 0.035470 162 C 11 ZZ -0.025419 -0.022720 -0.052072 -0.075927 -0.009607 163 C 11 XY -0.023911 -0.013944 -0.033247 -0.072662 -0.033455 164 C 11 XZ -0.018704 -0.010686 0.021377 0.000974 0.024355 165 C 11 YZ -0.018507 -0.001934 0.001764 0.001925 -0.018724 166 C 12 S 0.022060 -0.004194 -0.019843 0.013006 0.115904 167 C 12 S 0.053724 -0.010182 -0.017910 0.022870 0.260183 168 C 12 S -0.437955 0.023958 -0.795278 -0.707355 -1.011555 169 C 12 X 0.075110 0.022762 0.167359 -0.033328 0.052860 170 C 12 Y 0.045696 -0.015568 0.101233 0.004001 0.059728 171 C 12 Z -0.079012 0.002042 0.089137 -0.086405 -0.002054 172 C 12 X -0.158132 0.063592 -1.470817 0.165508 0.056757 173 C 12 Y -0.543790 -0.339322 -1.095675 -0.318731 -0.401469 174 C 12 Z 0.089299 -0.006598 -0.199973 0.520225 0.357142 175 C 12 XX -0.001225 -0.009545 -0.081731 0.007549 -0.001779 176 C 12 YY -0.005705 -0.009240 0.022026 -0.021501 -0.033059 177 C 12 ZZ 0.006930 0.018785 0.059704 0.013951 0.034838 178 C 12 XY 0.009314 0.012465 0.055029 0.007070 -0.018975 179 C 12 XZ 0.003752 -0.019965 0.002951 -0.007062 -0.014479 180 C 12 YZ -0.010956 0.001385 -0.004672 0.002417 0.018858 181 C 13 S 0.032136 -0.068899 0.012318 -0.029654 -0.196367 182 C 13 S 0.067361 -0.145136 0.025137 -0.055261 -0.396147 183 C 13 S -0.068248 0.418004 -0.312394 0.453961 1.627126 184 C 13 X 0.062491 -0.002547 -0.032798 0.017815 -0.048430 185 C 13 Y -0.177644 -0.085161 -0.128375 -0.157100 -0.090366 186 C 13 Z -0.001901 -0.111857 -0.017364 0.023657 -0.102605 187 C 13 X -0.123778 -0.097755 0.186488 -0.011734 -0.081004 188 C 13 Y 0.341491 0.049534 -0.614642 0.543316 -0.006254 189 C 13 Z 0.149623 0.314019 -0.174642 0.024290 0.269768 190 C 13 XX -0.000974 0.028906 -0.004889 0.024637 0.066249 191 C 13 YY 0.009653 -0.020303 -0.007881 -0.010795 -0.056435 192 C 13 ZZ -0.008679 -0.008603 0.012770 -0.013842 -0.009814 193 C 13 XY -0.014012 0.003439 -0.043097 0.010779 0.006196 194 C 13 XZ 0.007317 -0.011443 0.003285 0.003958 -0.027377 195 C 13 YZ -0.001461 0.008286 -0.025862 0.012351 -0.012354 196 C 14 S -0.048670 -0.023790 -0.032448 -0.004772 -0.008258 197 C 14 S -0.113969 -0.054878 -0.080818 -0.009984 -0.031054 198 C 14 S 0.846635 0.192224 1.053040 0.850653 0.107835 199 C 14 X -0.097354 -0.074012 -0.101403 -0.006664 -0.185057 200 C 14 Y 0.055588 -0.021348 0.052682 0.025176 -0.013087 201 C 14 Z 0.047470 0.037519 -0.012350 0.028473 -0.018585 202 C 14 X 0.531795 0.447232 1.203058 0.262067 0.985329 203 C 14 Y -0.677448 -0.324840 -0.790238 -0.447009 -0.433118 204 C 14 Z -0.544418 -0.111912 0.028236 -0.310502 0.382049 205 C 14 XX -0.000441 0.019931 0.035790 -0.007140 0.032704 206 C 14 YY 0.039385 -0.007159 -0.001645 0.056965 -0.027606 207 C 14 ZZ -0.038944 -0.012772 -0.034144 -0.049825 -0.005098 208 C 14 XY 0.008478 0.019085 0.047409 0.035378 0.061796 209 C 14 XZ 0.021743 0.018286 0.001599 0.016463 0.007340 210 C 14 YZ 0.028274 -0.006754 0.026847 0.000333 -0.033402 211 F 15 S 0.000402 -0.006666 -0.009559 0.003111 -0.003662 212 F 15 S 0.005017 -0.019245 -0.032748 -0.001777 -0.015528 213 F 15 S 0.014176 0.020970 0.013843 -0.097373 0.002736 214 F 15 X -0.011504 0.018603 -0.009052 -0.000469 0.063578 215 F 15 Y 0.033874 0.038337 0.074554 0.000860 0.055171 216 F 15 Z -0.013475 0.011178 0.021796 -0.026681 0.025119 217 F 15 X 0.022436 0.004887 0.077325 -0.024739 -0.042095 218 F 15 Y 0.055030 0.028841 0.089202 0.054517 0.038816 219 F 15 Z -0.029420 -0.000214 0.032358 0.003756 -0.007036 220 F 15 XX 0.005169 0.001770 0.006812 0.003274 -0.001663 221 F 15 YY -0.002195 0.000268 -0.004849 0.000147 -0.000512 222 F 15 ZZ -0.002974 -0.002038 -0.001963 -0.003421 0.002175 223 F 15 XY 0.000538 0.004047 -0.001699 0.003151 0.006285 224 F 15 XZ 0.000833 0.001770 -0.002344 0.002302 -0.000578 225 F 15 YZ 0.002471 0.003515 0.004096 0.002052 0.004523 226 F 16 S -0.012169 -0.003895 -0.013271 -0.012791 -0.009089 227 F 16 S -0.014966 0.003740 -0.015875 -0.006594 0.012420 228 F 16 S 0.204824 0.117045 0.218304 0.275272 0.332360 229 F 16 X -0.026016 -0.029083 -0.030503 -0.028838 -0.038785 230 F 16 Y 0.047192 0.033690 0.074729 0.054461 0.026566 231 F 16 Z 0.022560 0.016770 0.054381 0.003566 -0.014646 232 F 16 X 0.021454 0.002317 0.082931 0.001864 0.024291 233 F 16 Y -0.032620 -0.048961 -0.020741 -0.100121 -0.096728 234 F 16 Z 0.042990 0.036145 0.071223 0.033305 0.066465 235 F 16 XX 0.002855 0.004316 0.007312 0.001179 -0.002473 236 F 16 YY 0.003309 -0.001189 -0.001245 0.003012 0.007459 237 F 16 ZZ -0.006164 -0.003126 -0.006067 -0.004191 -0.004986 238 F 16 XY -0.001319 -0.001668 -0.006188 -0.001907 -0.002162 239 F 16 XZ 0.001094 0.000192 -0.001285 0.001354 0.002667 240 F 16 YZ -0.001827 -0.000126 -0.000019 -0.001054 -0.006185 241 F 17 S 0.018730 0.006291 0.012228 0.013442 0.004022 242 F 17 S 0.006557 0.009461 0.004218 0.006800 0.019248 243 F 17 S -0.410397 -0.098436 -0.273657 -0.275579 0.034575 244 F 17 X 0.027329 0.003687 0.031973 0.022522 -0.014745 245 F 17 Y 0.081994 0.016144 0.069978 0.056915 0.031789 246 F 17 Z 0.006190 -0.004692 -0.020215 -0.025357 -0.033240 247 F 17 X -0.049271 -0.021054 -0.046660 -0.008159 -0.053810 248 F 17 Y -0.103793 -0.003020 -0.050981 -0.072714 0.053459 249 F 17 Z -0.108252 -0.021873 -0.096283 -0.080720 -0.009426 250 F 17 XX -0.000886 -0.001853 -0.003720 -0.001109 -0.005651 251 F 17 YY -0.004208 -0.000806 -0.001621 -0.004612 0.001817 252 F 17 ZZ 0.005094 0.002659 0.005341 0.005721 0.003834 253 F 17 XY -0.002429 -0.001025 -0.004933 -0.002431 -0.002775 254 F 17 XZ -0.001669 -0.001617 -0.001027 -0.001162 -0.001560 255 F 17 YZ -0.007298 -0.001062 -0.005134 -0.002928 0.001470 256 F 18 S -0.000242 -0.003274 0.009004 0.006792 -0.002655 257 F 18 S 0.013297 -0.006054 0.023181 0.024605 -0.020265 258 F 18 S 0.088041 0.033993 -0.064780 0.013773 -0.081759 259 F 18 X -0.026597 0.018368 0.004315 0.018826 0.037812 260 F 18 Y 0.049331 0.001743 0.057171 0.053461 0.013947 261 F 18 Z 0.020086 0.019127 0.004208 0.027066 0.006508 262 F 18 X -0.011960 -0.019473 -0.064854 -0.013417 -0.086908 263 F 18 Y 0.094241 0.031877 0.075098 0.067032 0.014699 264 F 18 Z -0.006132 0.000972 0.023003 0.010989 0.031005 265 F 18 XX -0.004227 -0.003489 -0.006672 -0.004674 -0.004453 266 F 18 YY 0.000388 0.001059 0.003326 -0.000961 0.003218 267 F 18 ZZ 0.003839 0.002431 0.003346 0.005635 0.001236 268 F 18 XY 0.001498 -0.002377 -0.001191 -0.000303 -0.007447 269 F 18 XZ -0.001978 -0.000463 0.000008 -0.001834 0.001091 270 F 18 YZ 0.003235 0.000043 0.004453 0.003825 0.001008 271 C 19 S 0.008589 -0.148039 -0.016398 -0.006280 0.073883 272 C 19 S 0.015451 -0.388288 -0.043842 -0.039345 0.188232 273 C 19 S -0.085857 -0.067382 0.098226 0.635186 -0.744503 274 C 19 X 0.071564 -0.330524 -0.128002 0.183466 0.177118 275 C 19 Y -0.002050 -0.112110 -0.014500 0.071811 0.027891 276 C 19 Z -0.126829 -0.094974 0.090688 0.001977 0.046518 277 C 19 X -0.104744 1.249977 0.209634 -0.672563 -0.387571 278 C 19 Y -0.063294 0.811792 0.000990 -0.550762 0.108550 279 C 19 Z 0.168815 0.172366 0.114767 -0.040008 -0.177355 280 C 19 XX -0.011339 0.063550 0.026051 -0.040007 -0.023771 281 C 19 YY -0.011627 -0.114668 -0.013651 0.034722 0.041997 282 C 19 ZZ 0.022967 0.051118 -0.012401 0.005285 -0.018225 283 C 19 XY 0.025242 -0.118388 -0.027220 0.090351 0.001025 284 C 19 XZ -0.041381 -0.039014 0.072563 0.010275 -0.006741 285 C 19 YZ 0.032230 -0.002820 -0.024043 0.012139 -0.001600 286 H 20 S 0.016146 0.132069 0.049340 -0.001725 0.002451 287 H 20 S 0.151801 -0.994454 -0.255392 0.477836 0.389446 288 H 20 X -0.010337 0.142036 0.041827 -0.027558 -0.073336 289 H 20 Y 0.039838 -0.053897 -0.026184 0.048198 0.010123 290 H 20 Z -0.021210 -0.019360 0.051415 0.006910 -0.010789 291 H 21 S -0.009184 0.144015 0.095721 0.098203 -0.116950 292 H 21 S 0.198938 -0.256254 -0.107459 0.033858 0.023361 293 H 21 X 0.031815 -0.011896 -0.061678 0.021339 0.006179 294 H 21 Y -0.013949 0.012802 -0.010046 0.012819 0.004331 295 H 21 Z 0.014216 -0.038918 -0.031993 -0.018314 0.027799 296 C 22 S -0.181512 0.076670 -0.036908 0.075181 -0.014088 297 C 22 S -0.478160 0.214116 -0.088305 0.189057 -0.027992 298 C 22 S 0.697197 -0.021030 -0.147731 0.337637 0.297165 299 C 22 X -0.082557 0.031856 -0.014233 0.062500 0.045318 300 C 22 Y 0.317470 -0.067985 0.083539 -0.275141 0.072467 301 C 22 Z 0.059308 -0.071498 0.013717 -0.056127 -0.113331 302 C 22 X 0.212312 -0.138445 0.236327 -0.295054 -0.097906 303 C 22 Y -1.159689 0.437739 -0.412314 1.232583 -0.001707 304 C 22 Z -0.309089 0.328814 -0.010797 0.132315 0.158683 305 C 22 XX 0.006543 0.014449 0.020811 -0.024538 -0.002327 306 C 22 YY -0.093695 0.029199 -0.050557 0.076252 0.014106 307 C 22 ZZ 0.087152 -0.043649 0.029746 -0.051714 -0.011779 308 C 22 XY 0.102419 -0.045711 0.038154 -0.112139 0.013980 309 C 22 XZ 0.018740 0.002355 -0.010274 0.002848 0.036357 310 C 22 YZ 0.010391 -0.021254 -0.028799 0.018540 0.019837 311 H 23 S 0.068057 -0.101697 0.026598 -0.063677 -0.009839 312 H 23 S -0.757168 0.267502 -0.106152 0.678192 -0.138096 313 H 23 X -0.115677 0.028252 -0.022598 0.077315 -0.027590 314 H 23 Y -0.053716 0.039861 -0.011227 0.031430 -0.010799 315 H 23 Z -0.020383 0.020464 0.013474 -0.006701 -0.019717 316 H 24 S 0.263608 -0.137398 -0.009620 -0.070435 0.009893 317 H 24 S -0.462840 0.079734 -0.147054 0.259627 -0.131974 318 H 24 X 0.041028 -0.008494 0.004308 -0.018828 0.013731 319 H 24 Y 0.028398 -0.029093 -0.001355 -0.017523 0.018039 320 H 24 Z 0.098169 -0.039897 0.009098 -0.031968 0.021443 321 H 25 S 0.209104 -0.090447 0.006057 -0.071752 -0.012984 322 H 25 S -0.631076 0.380169 -0.178634 0.374841 0.207975 323 H 25 X 0.038793 -0.017120 0.009709 -0.022656 -0.011990 324 H 25 Y -0.002478 0.003727 0.033174 -0.041697 -0.032398 325 H 25 Z -0.105755 0.059922 -0.013631 0.048953 0.033036 326 C 26 S -0.045480 0.034889 -0.038448 -0.066129 0.014130 327 C 26 S -0.112697 0.073397 -0.120961 -0.128779 0.020839 328 C 26 S 0.651061 -0.120709 -0.258414 0.467771 -0.499372 329 C 26 X -0.120115 -0.127962 0.063146 0.008005 -0.095097 330 C 26 Y -0.005414 0.099987 -0.073984 0.063334 0.100260 331 C 26 Z -0.119319 -0.024109 0.157665 -0.060074 0.009619 332 C 26 X 0.493414 0.439234 -0.170266 -0.000483 0.068183 333 C 26 Y 0.028001 -0.452407 0.318807 -0.197355 -0.339085 334 C 26 Z 0.425285 0.288380 -0.734201 0.078762 -0.248464 335 C 26 XX -0.015198 0.002478 0.015630 -0.003971 0.045725 336 C 26 YY -0.037321 0.017506 0.056028 -0.005146 -0.024658 337 C 26 ZZ 0.052518 -0.019984 -0.071658 0.009116 -0.021067 338 C 26 XY -0.056966 -0.049056 0.018976 0.012699 -0.008795 339 C 26 XZ -0.032073 -0.036869 0.007467 0.024255 0.012421 340 C 26 YZ 0.036844 0.068239 -0.048595 0.028763 -0.021267 341 H 27 S -0.122648 -0.047196 0.148486 -0.116468 0.029785 342 H 27 S 0.469771 0.264741 -0.213197 -0.146278 -0.057222 343 H 27 X 0.037104 0.033878 -0.036167 0.000176 -0.027402 344 H 27 Y 0.023454 0.001327 -0.033655 -0.004883 0.033559 345 H 27 Z -0.013818 -0.018414 0.018576 -0.011492 -0.012732 346 H 28 S -0.059526 0.092046 0.121841 -0.135206 0.047516 347 H 28 S 0.095659 0.403127 -0.557943 0.114105 0.155528 348 H 28 X -0.010797 0.004024 -0.001930 0.003141 0.006046 349 H 28 Y -0.010075 -0.015853 0.067449 -0.016878 -0.022458 350 H 28 Z 0.019648 0.052708 -0.029971 0.028218 -0.002793 351 H 29 S 0.036212 0.060338 0.074623 -0.087768 0.044629 352 H 29 S -0.424526 -0.363308 -0.012287 -0.043536 -0.226114 353 H 29 X 0.016601 0.017630 0.024317 -0.009467 0.044262 354 H 29 Y -0.028179 -0.045409 -0.000118 -0.000011 -0.018030 355 H 29 Z -0.038583 -0.032454 0.021079 -0.012630 0.031181 356 C 30 S 0.012017 0.012394 0.120826 0.021560 -0.085529 357 C 30 S 0.037032 0.006397 0.323294 0.072743 -0.199709 358 C 30 S 0.138897 0.052918 -0.795714 -0.069873 0.564981 359 C 30 X 0.052670 0.111107 0.211048 0.168339 0.051214 360 C 30 Y -0.057202 0.006725 -0.002200 0.143632 0.154022 361 C 30 Z 0.049980 0.038989 0.070881 0.092377 -0.094992 362 C 30 X -0.309901 -0.440123 -0.606749 -0.366168 -0.018347 363 C 30 Y -0.099175 0.200978 0.202320 -0.491810 -0.484864 364 C 30 Z -0.326217 -0.295133 -0.144600 -0.232526 0.378981 365 C 30 XX 0.031582 -0.028961 -0.022026 -0.045068 -0.014740 366 C 30 YY -0.052671 0.037654 -0.015356 0.003056 0.026747 367 C 30 ZZ 0.021088 -0.008693 0.037381 0.042013 -0.012006 368 C 30 XY -0.015945 -0.011482 -0.058130 -0.059259 -0.013425 369 C 30 XZ -0.016800 -0.029276 -0.044352 -0.017727 0.017229 370 C 30 YZ 0.002547 0.038433 0.026601 0.003621 -0.037408 371 H 31 S -0.050481 0.130987 -0.106175 -0.096589 0.012900 372 H 31 S 0.206994 0.144324 0.423818 -0.142353 -0.608133 373 H 31 X 0.001643 -0.019941 0.005651 0.004227 -0.014512 374 H 31 Y 0.048123 -0.019707 0.053651 0.003090 -0.060113 375 H 31 Z 0.022817 -0.022465 -0.036840 -0.000102 0.037031 376 H 32 S 0.069536 -0.008355 -0.060506 -0.035247 -0.061941 377 H 32 S -0.182665 -0.264983 -0.337743 0.046656 -0.030967 378 H 32 X -0.026835 -0.011061 0.005451 0.020194 -0.010560 379 H 32 Y -0.017909 0.037710 0.014744 0.011021 0.019510 380 H 32 Z 0.016542 0.014326 0.009949 0.023642 -0.033098 381 H 33 S -0.042590 0.077473 -0.135534 -0.147573 -0.033685 382 H 33 S 0.338480 0.292078 0.627514 0.619976 0.030363 383 H 33 X 0.003155 -0.036461 -0.092271 -0.071181 -0.006477 384 H 33 Y -0.023189 0.004165 -0.053498 -0.061573 -0.012212 385 H 33 Z -0.023949 0.025118 -0.012667 -0.020597 0.004070 386 H 34 S 0.052631 0.173740 -0.035403 0.079699 -0.094350 387 H 34 S -0.241621 -0.474914 0.128957 -0.024802 0.203646 388 H 34 X -0.034647 -0.069447 0.056392 0.019931 -0.001238 389 H 34 Y -0.013163 -0.016156 0.023281 0.007860 -0.004501 390 H 34 Z 0.045074 0.076597 -0.027407 0.029509 -0.037228 391 F 35 S 0.004364 0.002208 -0.005285 0.002825 0.004084 392 F 35 S 0.013030 -0.011884 -0.002677 -0.000430 -0.036939 393 F 35 S -0.021646 -0.146677 0.112069 -0.061366 -0.350769 394 F 35 X 0.017893 0.019084 -0.020413 0.013675 0.045347 395 F 35 Y -0.070490 -0.031466 -0.074069 -0.040816 -0.038526 396 F 35 Z 0.004565 -0.036548 -0.009623 0.003634 -0.047742 397 F 35 X 0.011969 -0.064937 0.039568 -0.036418 -0.195574 398 F 35 Y -0.043713 -0.019947 0.012812 -0.053830 -0.034539 399 F 35 Z -0.016173 0.014373 -0.010085 0.017252 0.080244 400 F 35 XX -0.000234 -0.004993 0.001667 -0.001137 -0.008830 401 F 35 YY 0.000384 0.001824 -0.000630 -0.000277 0.000804 402 F 35 ZZ -0.000150 0.003169 -0.001038 0.001415 0.008026 403 F 35 XY 0.002115 0.000441 0.004574 -0.000048 0.000100 404 F 35 XZ -0.000281 0.002979 -0.001241 0.000660 0.006202 405 F 35 YZ 0.001598 0.001223 0.004158 0.000912 0.000589 406 F 36 S 0.000769 -0.006351 -0.002543 0.004111 -0.002164 407 F 36 S 0.009745 -0.012055 -0.011629 0.008321 -0.018622 408 F 36 S 0.057330 0.067534 -0.017298 -0.051474 -0.097558 409 F 36 X 0.018189 -0.029112 -0.012357 0.015940 -0.034216 410 F 36 Y 0.012369 0.009568 -0.009076 -0.000319 -0.000196 411 F 36 Z 0.002611 -0.018559 -0.006433 0.016680 0.003886 412 F 36 X 0.000485 0.034125 -0.017230 0.004814 0.062899 413 F 36 Y -0.042543 -0.012675 0.023437 -0.027439 -0.010996 414 F 36 Z 0.018229 -0.002354 -0.006781 -0.014316 -0.080298 415 F 36 XX -0.001726 0.000338 -0.001214 0.001642 0.007697 416 F 36 YY 0.000691 -0.002260 0.001712 0.000108 -0.005383 417 F 36 ZZ 0.001034 0.001922 -0.000498 -0.001750 -0.002313 418 F 36 XY -0.003618 -0.001762 0.001253 -0.001869 -0.000406 419 F 36 XZ -0.000428 -0.000043 0.000609 -0.001057 -0.001339 420 F 36 YZ -0.001790 -0.001903 0.000354 -0.002286 -0.000858 421 C 37 S -0.063157 0.016378 0.036551 -0.048239 0.020032 422 C 37 S -0.168542 0.017526 0.082771 -0.100732 0.049428 423 C 37 S 0.736687 0.640839 0.001512 -0.165449 0.248556 424 C 37 X 0.055707 0.122565 0.078365 -0.148945 0.001042 425 C 37 Y 0.089249 -0.215911 -0.036962 0.186774 0.019247 426 C 37 Z 0.126049 0.193008 -0.090538 0.097861 0.022364 427 C 37 X -0.197356 -0.642633 -0.457102 0.689331 -0.095110 428 C 37 Y -0.163574 0.378037 -0.117172 -0.676017 0.270651 429 C 37 Z -0.524104 -0.483911 0.420610 -0.275255 0.105012 430 C 37 XX -0.023218 -0.067955 0.015744 0.058802 0.002111 431 C 37 YY 0.039223 0.105869 -0.009312 -0.087389 0.006354 432 C 37 ZZ -0.016005 -0.037913 -0.006432 0.028587 -0.008465 433 C 37 XY 0.022079 -0.022680 0.017577 0.058075 -0.018604 434 C 37 XZ -0.016473 -0.005888 0.008419 0.010083 -0.021500 435 C 37 YZ -0.020905 0.001661 0.035716 -0.002899 -0.010817 436 S 38 S 0.011531 0.002551 -0.018787 0.026236 -0.028102 437 S 38 S 0.083824 0.016513 -0.137930 0.192025 -0.203250 438 S 38 S 0.117693 0.011442 -0.203191 0.279594 -0.282535 439 S 38 S -0.182995 -0.189201 0.517720 -0.518905 0.901325 440 S 38 X -0.000057 -0.019871 0.006512 -0.013378 0.032319 441 S 38 Y -0.005984 -0.041966 -0.009301 -0.005395 0.031523 442 S 38 Z 0.001274 0.005389 -0.026310 -0.006200 0.031631 443 S 38 X 0.013893 -0.086604 0.042483 -0.046963 0.147143 444 S 38 Y -0.026582 -0.195311 -0.023320 -0.044939 0.172956 445 S 38 Z 0.002942 0.024607 -0.127144 -0.030133 0.148591 446 S 38 X -0.174852 0.405806 0.038906 -0.013502 -0.581384 447 S 38 Y -0.075708 0.489544 0.013085 0.230180 -0.866755 448 S 38 Z -0.030943 -0.119971 0.312986 0.050179 -0.377353 449 S 38 XX 0.021373 0.025664 -0.036507 0.036670 -0.029518 450 S 38 YY 0.078565 0.060484 -0.047371 0.046365 0.035930 451 S 38 ZZ -0.099939 -0.086148 0.083878 -0.083035 -0.006411 452 S 38 XY 0.007149 -0.018541 -0.016557 -0.003318 0.046534 453 S 38 XZ -0.142783 -0.061681 0.250181 0.011482 -0.013889 454 S 38 YZ -0.066821 0.019116 0.018341 -0.044600 0.133065 455 S 38 XX 0.005844 -0.001737 -0.006894 0.004648 0.001792 456 S 38 YY 0.009106 0.015190 -0.004772 0.008420 -0.003915 457 S 38 ZZ -0.014950 -0.013454 0.011666 -0.013068 0.002123 458 S 38 XY -0.000120 0.003144 -0.004274 -0.005070 0.000965 459 S 38 XZ -0.017333 -0.005521 0.029295 0.001106 -0.000922 460 S 38 YZ -0.007650 0.002867 0.003424 -0.006096 0.014419 461 H 39 S 0.071073 0.003045 -0.033401 0.104502 -0.045610 462 H 39 S -0.000809 0.498595 0.247383 -0.728032 0.077599 463 H 39 X 0.018923 -0.044993 -0.032940 0.062282 -0.006872 464 H 39 Y 0.007362 0.001899 -0.007243 -0.005297 -0.004290 465 H 39 Z -0.021027 -0.016427 0.030413 0.013418 -0.000229 206 207 208 209 210 0.9509 0.9623 0.9769 0.9794 0.9847 A A A A A 1 C 1 S 0.015749 0.041382 -0.148778 0.053739 0.041164 2 C 1 S 0.027251 0.091700 -0.335493 0.111412 0.081292 3 C 1 S -0.026442 -0.228262 0.527575 0.462728 0.184142 4 C 1 X 0.171416 0.191623 -0.071220 0.205477 0.150977 5 C 1 Y -0.082356 -0.151760 -0.037990 -0.108835 -0.049352 6 C 1 Z -0.180464 0.046355 0.029954 -0.041233 0.005113 7 C 1 X -0.618849 -0.860914 0.338388 -1.209141 -0.616930 8 C 1 Y 0.943282 0.606217 -0.218800 0.947499 0.386495 9 C 1 Z 0.582131 -0.160559 -0.231391 0.088303 0.114256 10 C 1 XX 0.063892 0.041281 -0.055744 0.084530 0.048340 11 C 1 YY -0.040963 -0.040188 -0.005261 -0.066226 -0.021040 12 C 1 ZZ -0.022930 -0.001094 0.061005 -0.018303 -0.027300 13 C 1 XY -0.007899 0.004836 -0.023922 -0.014180 -0.011416 14 C 1 XZ 0.026137 -0.010165 0.005393 0.020337 -0.003487 15 C 1 YZ -0.075137 0.023606 0.031394 -0.029687 0.013943 16 C 2 S 0.080766 0.007440 -0.069450 -0.064498 -0.004590 17 C 2 S 0.201074 0.035834 -0.155879 -0.136080 0.006924 18 C 2 S -1.125975 0.039127 0.281095 -0.924234 0.153950 19 C 2 X 0.138098 0.041340 -0.028592 0.272276 0.177023 20 C 2 Y 0.022315 0.033161 -0.051305 0.069807 0.021467 21 C 2 Z 0.034294 -0.018743 -0.043208 -0.029865 0.112681 22 C 2 X -0.309933 -0.409160 0.032103 -1.469996 -0.779810 23 C 2 Y -0.659963 0.238329 -0.074154 -0.547856 0.044751 24 C 2 Z -0.079492 0.210869 0.193833 0.170584 -0.091916 25 C 2 XX -0.059509 -0.052641 -0.010854 -0.076993 -0.043648 26 C 2 YY 0.028094 0.035320 0.005427 -0.011524 0.013765 27 C 2 ZZ 0.031415 0.017322 0.005428 0.088517 0.029882 28 C 2 XY 0.022354 0.026135 -0.011172 0.027818 -0.006184 29 C 2 XZ -0.051499 0.006304 0.025016 -0.011944 -0.001759 30 C 2 YZ -0.035098 0.017244 0.009932 -0.037664 -0.015376 31 C 3 S 0.024232 -0.078263 -0.042129 -0.033301 -0.021896 32 C 3 S 0.054397 -0.175100 -0.091606 -0.051546 -0.054750 33 C 3 S 1.186510 1.385998 0.423227 0.336026 0.905295 34 C 3 X -0.065329 -0.101390 -0.094738 -0.148922 -0.059144 35 C 3 Y -0.013627 -0.091084 -0.090569 0.074066 -0.068870 36 C 3 Z 0.210126 0.092050 0.083054 0.052687 0.117276 37 C 3 X -0.539398 -0.517836 0.771834 1.137562 0.162932 38 C 3 Y -0.502095 1.227127 0.067514 -0.165371 1.183677 39 C 3 Z -0.389810 -0.346834 -0.220479 -0.212698 0.035903 40 C 3 XX 0.040068 0.031093 0.060378 -0.021021 0.038481 41 C 3 YY -0.004005 -0.014216 -0.033374 -0.009048 -0.010565 42 C 3 ZZ -0.036063 -0.016877 -0.027004 0.030069 -0.027916 43 C 3 XY -0.026485 0.009912 0.034468 0.040898 -0.005671 44 C 3 XZ -0.029624 0.007482 0.009223 0.008823 -0.023080 45 C 3 YZ 0.005147 -0.000400 0.044521 0.022296 0.036545 46 C 4 S 0.027766 0.055777 -0.045394 0.000546 0.070573 47 C 4 S 0.090570 0.093434 -0.101005 0.025978 0.168807 48 C 4 S -0.022246 -1.690238 -0.093158 0.248061 -1.226844 49 C 4 X 0.178052 -0.149783 -0.122351 -0.030778 -0.120890 50 C 4 Y -0.170291 0.112547 -0.022381 -0.119318 -0.107798 51 C 4 Z 0.073366 -0.011165 -0.239687 -0.176509 0.164570 52 C 4 X -0.323147 0.398023 0.598934 0.428192 0.815135 53 C 4 Y 0.437561 -0.592282 0.416360 0.663976 0.232897 54 C 4 Z 0.079129 0.338558 1.067683 1.038839 -0.865696 55 C 4 XX -0.012907 0.023428 -0.050115 -0.009740 -0.024543 56 C 4 YY 0.016147 -0.041247 -0.010116 -0.051274 0.053989 57 C 4 ZZ -0.003240 0.017818 0.060230 0.061014 -0.029446 58 C 4 XY 0.014834 -0.047623 -0.008379 -0.015896 -0.007448 59 C 4 XZ 0.011900 -0.010373 -0.015935 0.006886 -0.000281 60 C 4 YZ 0.030870 0.065734 0.039568 -0.003855 -0.017599 61 S 5 S -0.022278 0.014406 -0.026160 0.005137 0.011578 62 S 5 S -0.163191 0.106892 -0.192245 0.039097 0.083806 63 S 5 S -0.238020 0.160085 -0.269073 0.062547 0.111379 64 S 5 S 0.345624 -0.224846 0.312101 -0.027644 -0.340256 65 S 5 X 0.021780 0.015167 -0.001303 -0.010306 0.002829 66 S 5 Y -0.024888 0.001108 0.004477 0.009601 0.006846 67 S 5 Z 0.064056 -0.044519 -0.046607 -0.037663 0.038668 68 S 5 X 0.109171 0.069372 -0.027962 -0.047057 0.011637 69 S 5 Y -0.117250 -0.004374 0.012396 0.038229 0.037139 70 S 5 Z 0.301680 -0.208479 -0.216536 -0.171708 0.175229 71 S 5 X -0.183367 0.003817 -0.106001 0.109836 0.144456 72 S 5 Y 0.379406 -0.185466 0.077404 -0.150016 -0.310724 73 S 5 Z -0.430424 0.274246 0.254203 0.215392 -0.274110 74 S 5 XX -0.047254 0.119226 0.023081 -0.060819 -0.033894 75 S 5 YY -0.198804 0.002169 -0.073717 -0.075641 -0.086422 76 S 5 ZZ 0.246058 -0.121395 0.050636 0.136460 0.120316 77 S 5 XY 0.042968 -0.065306 -0.014348 -0.008723 0.116198 78 S 5 XZ 0.097025 -0.175611 -0.049036 0.050349 -0.045695 79 S 5 YZ 0.014524 0.039594 -0.079132 -0.062663 -0.092541 80 S 5 XX -0.007714 0.019016 -0.000109 -0.007525 -0.004461 81 S 5 YY -0.026961 -0.003443 -0.007870 -0.012845 -0.011613 82 S 5 ZZ 0.034675 -0.015573 0.007979 0.020370 0.016075 83 S 5 XY 0.011527 -0.009010 -0.000479 0.001166 0.013391 84 S 5 XZ 0.013637 -0.024846 -0.008166 0.005915 -0.005176 85 S 5 YZ -0.001977 0.006606 -0.007998 -0.007672 -0.013445 86 H 6 S -0.009413 0.086530 0.003677 -0.072322 -0.098861 87 H 6 S -0.330521 -0.182317 -0.104799 -0.676519 -0.212379 88 H 6 X 0.011330 -0.001672 0.001850 -0.021049 -0.001652 89 H 6 Y -0.011286 -0.018676 0.001801 -0.054142 -0.022986 90 H 6 Z 0.022403 0.002877 0.013526 0.029945 0.003718 91 C 7 S -0.047573 0.044764 -0.091908 0.020216 0.015593 92 C 7 S -0.107401 0.097925 -0.175194 0.011561 0.021340 93 C 7 S 0.452452 0.124225 1.009615 -1.204135 -0.653459 94 C 7 X -0.062666 -0.051107 0.050688 0.124591 0.021931 95 C 7 Y -0.007542 0.050041 -0.037411 0.106985 -0.006917 96 C 7 Z 0.015529 0.071748 -0.104273 -0.175427 -0.110506 97 C 7 X -0.069555 1.081249 -0.742667 1.131708 1.024857 98 C 7 Y 0.278660 -0.082858 0.373476 0.061444 0.710703 99 C 7 Z 0.056065 -0.468296 0.168949 -0.003409 0.019265 100 C 7 XX 0.035841 0.107906 -0.020960 -0.010552 0.008485 101 C 7 YY -0.033920 -0.031201 -0.014261 -0.000818 -0.040654 102 C 7 ZZ -0.001921 -0.076704 0.035222 0.011370 0.032169 103 C 7 XY -0.006217 -0.001769 0.011933 0.031315 0.012080 104 C 7 XZ 0.017499 -0.002836 -0.002234 -0.007177 -0.070420 105 C 7 YZ -0.016529 -0.009066 -0.016746 0.008664 0.020202 106 C 8 S -0.025380 -0.177026 0.133650 0.047040 -0.020161 107 C 8 S -0.043289 -0.378450 0.284485 0.090841 -0.058234 108 C 8 S -0.338251 0.308185 -0.298461 -0.359542 -0.166893 109 C 8 X -0.060218 -0.039740 -0.212652 0.000129 0.036266 110 C 8 Y -0.062326 -0.328088 0.286839 -0.111596 -0.156719 111 C 8 Z -0.021577 0.054037 -0.096719 -0.009106 0.034174 112 C 8 X 0.366798 0.337274 0.481373 -0.008124 -0.014294 113 C 8 Y 0.455298 1.783180 -1.297337 0.774653 1.199541 114 C 8 Z 0.057954 0.013451 0.275708 0.018294 0.288624 115 C 8 XX -0.001506 0.004069 -0.032447 0.038061 0.021653 116 C 8 YY -0.041776 -0.047471 0.083919 -0.014028 -0.014355 117 C 8 ZZ 0.043281 0.043402 -0.051472 -0.024033 -0.007299 118 C 8 XY 0.046626 0.088285 -0.057728 0.002053 0.015450 119 C 8 XZ 0.013436 -0.002550 -0.004013 -0.015406 -0.008276 120 C 8 YZ 0.021831 -0.068364 0.007844 0.033276 -0.027398 121 C 9 S 0.047854 0.014305 -0.039327 0.034082 0.005617 122 C 9 S 0.115155 0.022999 -0.103133 0.057520 -0.000204 123 C 9 S -0.786243 -0.494885 0.636829 -0.597335 -0.051626 124 C 9 X 0.145924 -0.107106 0.016639 -0.084522 -0.057755 125 C 9 Y 0.226949 0.206207 -0.007786 -0.076290 -0.062471 126 C 9 Z 0.120262 -0.339178 -0.256926 -0.118128 0.029848 127 C 9 X -0.682262 0.938414 -0.218439 0.242328 0.103954 128 C 9 Y -1.235661 -1.226975 0.053488 -0.081549 -0.176479 129 C 9 Z -0.736881 1.139598 0.583277 0.253643 -0.364547 130 C 9 XX -0.009062 -0.039834 -0.026767 0.024184 0.004755 131 C 9 YY -0.014023 0.034602 0.022576 0.043444 -0.034629 132 C 9 ZZ 0.023085 0.005232 0.004190 -0.067628 0.029874 133 C 9 XY -0.039904 0.024679 -0.009538 0.015546 -0.006859 134 C 9 XZ 0.016284 -0.049691 0.029766 0.023096 0.071297 135 C 9 YZ 0.058608 -0.027843 0.018814 0.013255 0.055318 136 C 10 S -0.016765 0.105811 -0.066150 -0.083377 -0.046643 137 C 10 S -0.058219 0.243530 -0.156852 -0.148999 -0.073805 138 C 10 S -0.804147 -0.694232 -0.607718 1.806876 2.197642 139 C 10 X -0.069659 0.108475 0.017889 0.222516 0.089288 140 C 10 Y -0.027092 0.022563 0.066200 -0.027358 0.163654 141 C 10 Z -0.029064 0.127395 -0.069440 -0.273263 -0.106391 142 C 10 X 0.134315 0.484528 -0.323352 0.005127 0.744386 143 C 10 Y -0.053847 0.366079 -0.842855 1.833800 -0.255652 144 C 10 Z 0.073795 -0.489513 0.254315 0.457003 0.220946 145 C 10 XX 0.011053 0.010839 -0.035106 0.002169 0.002454 146 C 10 YY -0.014964 -0.005635 -0.002941 -0.016422 0.024410 147 C 10 ZZ 0.003911 -0.005204 0.038047 0.014253 -0.026863 148 C 10 XY 0.033165 0.016004 0.022151 -0.059537 -0.000130 149 C 10 XZ 0.012032 0.006687 0.047328 -0.029005 0.030828 150 C 10 YZ 0.021804 -0.029986 -0.039718 0.016591 0.031871 151 C 11 S 0.048753 -0.011455 0.020738 -0.025317 -0.006563 152 C 11 S 0.076932 -0.034535 0.046104 -0.054541 -0.015933 153 C 11 S -1.044827 -0.705512 -0.755181 1.864203 -0.836764 154 C 11 X -0.070454 0.009137 0.023915 -0.115538 0.115047 155 C 11 Y -0.079218 -0.113996 -0.034978 0.083657 0.154556 156 C 11 Z -0.146555 -0.148114 0.153850 -0.107695 0.126272 157 C 11 X -0.289551 -1.104251 0.814673 0.300613 -1.004446 158 C 11 Y 1.133555 0.832297 0.254742 -0.052823 -0.944568 159 C 11 Z 0.288949 0.541860 -0.373650 0.163084 -0.415664 160 C 11 XX -0.006096 -0.056020 -0.009771 0.007702 -0.006783 161 C 11 YY 0.020281 0.047562 -0.007158 0.018429 -0.038317 162 C 11 ZZ -0.014184 0.008458 0.016929 -0.026132 0.045099 163 C 11 XY -0.032193 -0.021931 -0.056980 -0.012174 0.008586 164 C 11 XZ 0.042255 -0.003534 0.052420 0.011367 0.075624 165 C 11 YZ -0.026543 0.022570 0.034689 -0.025803 -0.025288 166 C 12 S -0.019538 0.024347 -0.085102 -0.043472 0.027072 167 C 12 S -0.041287 0.059023 -0.170789 -0.073621 0.071239 168 C 12 S 0.374589 -0.097414 0.415845 -0.136609 0.210158 169 C 12 X -0.061172 -0.070509 -0.137137 0.234043 0.065183 170 C 12 Y -0.057662 0.044976 -0.095332 0.111499 -0.015276 171 C 12 Z -0.016049 -0.145382 0.007745 0.068456 0.154672 172 C 12 X 0.261638 0.871080 0.436075 -1.507706 -0.380895 173 C 12 Y 0.360171 0.097528 0.574290 -1.009601 0.197169 174 C 12 Z -0.274974 0.558111 -0.122051 -0.227595 -0.526862 175 C 12 XX -0.013464 0.006092 -0.042479 -0.056565 -0.040648 176 C 12 YY 0.044614 -0.007034 0.035236 0.009099 0.030781 177 C 12 ZZ -0.031150 0.000942 0.007243 0.047466 0.009867 178 C 12 XY -0.018518 -0.044667 0.005030 0.070233 -0.002021 179 C 12 XZ 0.003947 -0.004680 -0.026923 0.011408 -0.017948 180 C 12 YZ 0.004402 -0.012425 -0.015901 -0.035140 -0.004846 181 C 13 S -0.023179 -0.001070 -0.123988 0.059899 -0.035513 182 C 13 S -0.044569 0.002391 -0.254123 0.115330 -0.071547 183 C 13 S 0.789084 0.536022 1.418506 -1.665534 -0.025361 184 C 13 X 0.031167 0.005934 -0.061609 -0.071158 -0.130381 185 C 13 Y 0.029752 -0.096445 0.032445 -0.073669 0.069857 186 C 13 Z 0.018611 0.036869 -0.015260 -0.020047 -0.010999 187 C 13 X -0.216363 -0.234487 -0.040415 0.557214 0.160948 188 C 13 Y -0.495806 0.783549 -0.553623 -0.155792 -0.489628 189 C 13 Z 0.290083 0.219968 0.142221 -0.703801 0.023472 190 C 13 XX 0.049277 0.021401 0.052107 -0.089924 0.040262 191 C 13 YY -0.013792 -0.006875 -0.044661 0.007931 -0.042683 192 C 13 ZZ -0.035484 -0.014526 -0.007446 0.081993 0.002421 193 C 13 XY -0.003354 0.012087 0.002800 -0.014454 0.014879 194 C 13 XZ 0.016280 0.016043 0.020947 -0.002109 -0.005929 195 C 13 YZ -0.006256 0.000664 -0.005662 0.004098 -0.005834 196 C 14 S 0.028892 -0.050008 -0.021573 -0.051783 0.031614 197 C 14 S 0.055664 -0.099590 -0.028721 -0.110367 0.081464 198 C 14 S -0.115923 0.352610 0.329631 0.216838 -1.011105 199 C 14 X -0.102556 -0.089149 -0.085515 0.110251 0.040259 200 C 14 Y 0.042172 0.047801 0.020134 -0.138694 -0.104615 201 C 14 Z -0.067452 0.085184 -0.087048 -0.019788 0.035152 202 C 14 X 0.921611 0.089284 1.150546 -0.705550 -0.270577 203 C 14 Y -0.413113 -0.474246 -0.302635 0.317381 0.293146 204 C 14 Z 0.050265 -0.654917 0.543773 0.146584 0.369271 205 C 14 XX 0.026377 -0.023613 -0.019248 -0.000424 -0.017730 206 C 14 YY 0.025933 0.043716 0.010158 -0.001483 -0.008540 207 C 14 ZZ -0.052310 -0.020103 0.009090 0.001906 0.026270 208 C 14 XY 0.030908 -0.013479 0.052387 0.007690 0.007419 209 C 14 XZ -0.014176 -0.006489 -0.031959 0.008036 -0.034540 210 C 14 YZ -0.003797 0.032979 0.011336 -0.007559 -0.037205 211 F 15 S -0.003396 0.008925 -0.009190 -0.005903 -0.006518 212 F 15 S 0.001411 0.013166 -0.033817 -0.020224 -0.009000 213 F 15 S 0.084590 -0.122657 -0.011573 -0.014734 0.129303 214 F 15 X -0.011385 0.002344 -0.014886 -0.005404 0.004014 215 F 15 Y -0.032629 -0.014108 -0.022956 0.097275 0.016408 216 F 15 Z 0.008523 -0.036360 0.009278 0.015964 0.042166 217 F 15 X 0.003330 -0.072815 -0.054849 0.085814 0.042387 218 F 15 Y -0.033555 0.006745 -0.039537 0.047457 -0.039409 219 F 15 Z -0.033740 0.009268 0.027354 0.024520 0.010514 220 F 15 XX -0.001136 0.000133 -0.001267 0.006306 -0.003952 221 F 15 YY 0.000587 0.002752 0.004364 -0.002597 -0.002360 222 F 15 ZZ 0.000549 -0.002885 -0.003097 -0.003709 0.006312 223 F 15 XY 0.000781 0.002266 0.001276 -0.005508 -0.002135 224 F 15 XZ -0.000005 0.001857 0.000288 -0.002607 -0.003082 225 F 15 YZ -0.001611 -0.001200 0.000005 0.003876 0.000603 226 F 16 S 0.007341 -0.006986 0.007033 -0.006920 0.007978 227 F 16 S -0.004292 -0.011656 -0.006015 -0.007551 0.000380 228 F 16 S -0.201041 0.126829 -0.225714 0.120036 -0.202540 229 F 16 X 0.000398 -0.034841 0.000156 0.020522 0.034412 230 F 16 Y -0.025427 0.013188 -0.016173 0.051754 -0.045383 231 F 16 Z -0.011646 -0.033051 -0.007496 0.066505 0.020783 232 F 16 X -0.064096 -0.041138 -0.086411 0.109815 -0.001549 233 F 16 Y 0.054771 -0.019958 0.032317 0.030809 0.085063 234 F 16 Z -0.038473 -0.020425 -0.053349 0.045570 -0.016826 235 F 16 XX 0.001232 -0.003619 0.001282 0.004394 -0.000268 236 F 16 YY -0.004030 0.005208 -0.005783 0.000999 -0.002847 237 F 16 ZZ 0.002799 -0.001589 0.004501 -0.005392 0.003115 238 F 16 XY 0.000608 -0.000008 -0.000858 -0.003100 0.000651 239 F 16 XZ -0.000308 0.002920 -0.000237 -0.001214 -0.001570 240 F 16 YZ 0.001738 -0.003124 0.005465 0.002125 0.001739 241 F 17 S 0.002988 0.011401 -0.001719 -0.004619 -0.013826 242 F 17 S 0.005547 -0.008674 -0.006307 -0.009050 -0.009804 243 F 17 S -0.033543 -0.351302 0.024412 0.057838 0.274054 244 F 17 X -0.004958 0.010795 -0.031006 0.036446 -0.045083 245 F 17 Y 0.025237 0.060503 0.002569 -0.042034 -0.054380 246 F 17 Z -0.033588 0.016408 -0.042931 0.002517 -0.012974 247 F 17 X -0.056830 -0.047431 -0.076925 0.083044 0.041600 248 F 17 Y 0.017535 -0.102892 0.017098 -0.011895 0.077129 249 F 17 Z -0.014913 -0.081087 -0.039216 -0.003562 0.074515 250 F 17 XX -0.001899 0.000950 -0.002540 -0.001252 0.000441 251 F 17 YY -0.000896 -0.003955 0.000753 0.000397 0.001346 252 F 17 ZZ 0.002795 0.003005 0.001786 0.000855 -0.001787 253 F 17 XY -0.003173 0.000249 -0.000454 -0.001095 0.002285 254 F 17 XZ 0.001559 -0.000899 0.002348 -0.001011 0.001265 255 F 17 YZ 0.001684 -0.007485 0.000096 0.002096 0.005522 256 F 18 S 0.000401 -0.005079 0.005911 0.004078 -0.000974 257 F 18 S 0.006595 -0.002625 -0.005756 0.001528 -0.018094 258 F 18 S 0.039724 0.117464 -0.169577 -0.105260 -0.065133 259 F 18 X -0.015701 -0.027646 0.029509 0.004744 0.027802 260 F 18 Y 0.035328 0.019349 0.029659 -0.024144 -0.038614 261 F 18 Z 0.001327 0.025969 -0.012807 -0.015711 0.002657 262 F 18 X -0.045819 -0.005268 -0.118527 0.034399 -0.018078 263 F 18 Y 0.028082 0.063958 -0.019042 -0.015578 -0.064081 264 F 18 Z -0.035069 -0.003407 0.044842 0.037083 0.033525 265 F 18 XX -0.001243 -0.003589 -0.001989 0.000315 0.000484 266 F 18 YY -0.000170 0.000424 0.003984 -0.000052 -0.001037 267 F 18 ZZ 0.001413 0.003165 -0.001995 -0.000263 0.000553 268 F 18 XY -0.002837 0.002591 -0.006145 0.004603 -0.001003 269 F 18 XZ 0.000477 -0.002204 0.000687 0.001094 -0.000312 270 F 18 YZ 0.001372 0.000779 0.002213 0.003797 -0.003083 271 C 19 S -0.004832 -0.059366 -0.016425 0.003061 -0.037665 272 C 19 S -0.004810 -0.113140 -0.052390 0.015482 -0.081849 273 C 19 S -0.184650 -0.591821 0.594062 -0.344496 -0.391776 274 C 19 X -0.062571 -0.072373 -0.020801 0.010967 0.045265 275 C 19 Y -0.043908 -0.103725 0.050139 0.049243 0.024554 276 C 19 Z 0.067143 -0.004104 -0.072090 -0.011823 -0.099299 277 C 19 X 0.212577 0.575923 -0.153088 0.146292 0.239044 278 C 19 Y 0.198407 0.821878 -0.339390 0.054747 0.267744 279 C 19 Z -0.194545 0.193438 0.023316 0.058981 0.288733 280 C 19 XX 0.015951 -0.003824 0.020459 -0.000574 -0.006647 281 C 19 YY -0.029401 -0.042131 -0.004168 0.021090 -0.008237 282 C 19 ZZ 0.013450 0.045956 -0.016291 -0.020517 0.014884 283 C 19 XY -0.011540 -0.111859 0.057282 -0.025471 -0.035469 284 C 19 XZ -0.002923 0.049963 -0.025227 -0.020823 -0.017894 285 C 19 YZ -0.023109 -0.013843 0.013959 0.003747 0.012370 286 H 20 S 0.000561 -0.031262 -0.039489 -0.039718 -0.043201 287 H 20 S -0.108759 -0.287710 -0.047351 -0.050380 -0.067733 288 H 20 X 0.016714 0.003075 0.017645 -0.012723 -0.012265 289 H 20 Y 0.008855 -0.032945 -0.016850 -0.017043 -0.001590 290 H 20 Z -0.005883 0.032769 -0.020166 -0.008174 -0.000702 291 H 21 S -0.023167 -0.073630 0.077471 -0.051755 -0.028849 292 H 21 S -0.177931 -0.237814 0.123490 0.088984 0.077910 293 H 21 X -0.008459 -0.066341 0.044337 0.008397 -0.007506 294 H 21 Y -0.003648 -0.022103 0.021457 -0.000819 -0.014696 295 H 21 Z -0.019548 -0.014961 0.019040 0.020620 0.016956 296 C 22 S 0.078726 0.013563 -0.061250 0.038154 0.015396 297 C 22 S 0.189925 0.014844 -0.138285 0.077875 0.021212 298 C 22 S 0.167164 0.371269 0.018102 0.459853 0.242442 299 C 22 X -0.144937 0.055223 -0.048489 -0.032339 -0.050481 300 C 22 Y -0.184366 -0.091775 0.004669 -0.078151 -0.036258 301 C 22 Z 0.007525 0.010299 0.041180 0.005560 0.005304 302 C 22 X 0.158505 -0.190408 0.227196 -0.094028 0.012532 303 C 22 Y 0.860195 0.585884 -0.300044 0.680857 0.287682 304 C 22 Z -0.259381 0.110043 -0.012464 0.015496 -0.001300 305 C 22 XX -0.029216 -0.021317 -0.006888 -0.037768 -0.026105 306 C 22 YY 0.020290 0.054284 -0.032363 0.044891 0.019082 307 C 22 ZZ 0.008926 -0.032968 0.039250 -0.007123 0.007023 308 C 22 XY -0.084488 -0.041723 0.021057 -0.051945 -0.022963 309 C 22 XZ 0.020640 -0.013828 -0.011564 0.009505 -0.002113 310 C 22 YZ 0.071168 -0.014104 -0.034208 0.036228 -0.009884 311 H 23 S -0.044246 0.050107 -0.022214 0.003719 0.009301 312 H 23 S 0.634669 0.180221 -0.038664 0.334567 0.170688 313 H 23 X 0.067840 0.010993 0.006712 0.025311 0.014682 314 H 23 Y 0.065441 -0.011594 -0.006748 0.012359 0.004469 315 H 23 Z -0.049246 0.016609 0.021116 -0.016057 0.003849 316 H 24 S 0.032415 0.024017 -0.040840 0.062058 0.064514 317 H 24 S 0.145603 0.110309 -0.148794 0.071656 -0.016708 318 H 24 X 0.006181 -0.001365 -0.006076 0.002471 0.001214 319 H 24 Y 0.028678 -0.033355 -0.002497 -0.001067 -0.018918 320 H 24 Z 0.000559 -0.015532 0.012457 0.002416 0.014647 321 H 25 S -0.075858 0.056739 -0.001326 0.048908 0.075382 322 H 25 S -0.021821 0.127441 -0.201251 0.077298 -0.054875 323 H 25 X -0.005705 0.006454 0.006207 -0.004600 0.005751 324 H 25 Y -0.066076 -0.003875 0.032798 -0.039701 0.000029 325 H 25 Z 0.003894 0.001244 -0.030696 -0.008508 -0.016004 326 C 26 S -0.051847 -0.063603 -0.109919 0.164101 -0.132023 327 C 26 S -0.116007 -0.182043 -0.283940 0.390177 -0.345997 328 C 26 S -0.001926 0.824725 1.001899 -0.823304 0.708372 329 C 26 X -0.158606 0.003480 0.015551 0.144084 0.220830 330 C 26 Y -0.284902 0.118693 0.027919 -0.064340 0.067119 331 C 26 Z 0.091644 0.001940 0.194693 -0.132335 0.206234 332 C 26 X 0.617732 -0.184972 -0.110765 -0.357333 -0.709857 333 C 26 Y 1.121978 0.050846 -0.304890 0.242923 -0.002689 334 C 26 Z -0.683418 0.282285 -0.226414 0.806765 -0.830471 335 C 26 XX 0.041095 -0.004467 -0.012661 -0.045191 0.073100 336 C 26 YY -0.039759 -0.038273 0.013091 -0.034669 -0.001412 337 C 26 ZZ -0.001336 0.042741 -0.000430 0.079860 -0.071688 338 C 26 XY -0.049437 0.009246 -0.017197 0.029307 0.041890 339 C 26 XZ -0.051004 0.017825 -0.028076 0.011369 -0.002914 340 C 26 YZ -0.113584 -0.005369 -0.006097 0.005923 -0.031797 341 H 27 S -0.025055 0.070270 0.051564 0.031566 0.177804 342 H 27 S 0.748667 -0.224533 -0.467847 0.304857 -0.910363 343 H 27 X 0.015469 -0.045547 -0.045311 0.035268 -0.114700 344 H 27 Y 0.079355 -0.030192 -0.060338 0.010879 -0.074373 345 H 27 Z 0.073489 0.003179 0.010891 -0.025880 -0.000656 346 H 28 S -0.143751 0.152205 0.249180 -0.010947 -0.031130 347 H 28 S -0.776081 -0.135055 -0.252787 0.349687 -0.476532 348 H 28 X -0.003360 -0.023636 -0.016369 0.001559 -0.012049 349 H 28 Y 0.044923 -0.018416 0.065281 -0.044224 0.059760 350 H 28 Z -0.080388 -0.051442 -0.039613 -0.007284 -0.020759 351 H 29 S 0.073297 0.067216 0.136270 0.008395 0.225847 352 H 29 S -0.548999 0.106774 -0.303843 0.750758 -0.152860 353 H 29 X 0.055315 0.045486 0.054710 -0.082181 0.050723 354 H 29 Y 0.014221 0.001042 -0.021315 0.060011 0.022107 355 H 29 Z 0.005172 -0.011878 -0.033005 0.004184 0.010958 356 C 30 S -0.042957 -0.095477 -0.125490 -0.114801 0.174013 357 C 30 S -0.109981 -0.217775 -0.299809 -0.295276 0.430771 358 C 30 S 0.278243 0.514708 0.187171 0.218950 -0.631690 359 C 30 X 0.022739 -0.048565 0.166979 0.072003 0.010967 360 C 30 Y -0.027537 -0.077696 -0.071707 -0.109236 -0.003680 361 C 30 Z -0.078782 0.066527 -0.175239 -0.195066 0.295963 362 C 30 X -0.103723 0.132355 -0.706822 -0.361868 -0.274962 363 C 30 Y -0.085596 0.032598 0.105656 0.239999 -0.084286 364 C 30 Z 0.127152 0.005865 1.022186 1.120942 -1.214555 365 C 30 XX 0.030623 0.047756 0.080976 0.083495 -0.071188 366 C 30 YY -0.043493 -0.052587 0.006903 0.015497 -0.065828 367 C 30 ZZ 0.012871 0.004831 -0.087879 -0.098991 0.137016 368 C 30 XY -0.000150 0.023866 -0.018017 -0.017241 0.010192 369 C 30 XZ -0.016249 -0.008111 -0.035292 -0.033600 0.009286 370 C 30 YZ -0.016899 -0.023908 -0.057444 -0.004848 0.023429 371 H 31 S 0.060853 -0.189696 -0.030486 0.030586 -0.049286 372 H 31 S -0.071074 0.006132 -0.400130 -0.294178 0.670223 373 H 31 X -0.000398 0.001508 -0.017520 0.003311 -0.015518 374 H 31 Y 0.001154 0.020957 -0.033826 -0.030970 0.111451 375 H 31 Z 0.060139 -0.001618 0.005075 0.013708 0.010517 376 H 32 S 0.048429 -0.037075 -0.015022 0.145035 -0.151577 377 H 32 S -0.220888 0.080531 -0.846567 -0.975916 0.451620 378 H 32 X -0.064073 -0.010105 -0.098832 -0.108759 0.073976 379 H 32 Y -0.011396 -0.047496 0.030801 0.048075 -0.031595 380 H 32 Z -0.018407 0.040804 -0.004023 -0.014628 -0.003331 381 H 33 S 0.144305 -0.016272 0.091155 0.118861 -0.136426 382 H 33 S -0.106447 -0.324968 0.015953 -0.329283 0.779829 383 H 33 X 0.033208 0.043309 0.037822 0.062160 -0.066695 384 H 33 Y 0.012668 0.011111 -0.015588 0.031335 -0.056284 385 H 33 Z 0.002751 -0.029392 -0.033494 -0.029706 0.004955 386 H 34 S 0.006101 -0.127882 0.091611 -0.040505 -0.053832 387 H 34 S 0.099682 -0.191626 -0.066236 0.015112 -0.237681 388 H 34 X -0.007686 0.006425 -0.001543 -0.008907 -0.013714 389 H 34 Y -0.017965 0.002084 0.005966 0.001886 -0.002296 390 H 34 Z -0.013664 -0.000701 0.027954 -0.015563 0.027148 391 F 35 S 0.012163 0.008869 0.008262 -0.020410 -0.005342 392 F 35 S 0.007600 0.007790 -0.007411 0.002704 -0.025042 393 F 35 S -0.236323 -0.148267 -0.247779 0.514910 -0.015107 394 F 35 X 0.049416 0.034068 0.043707 -0.104424 -0.023990 395 F 35 Y 0.007519 -0.042558 0.030242 -0.031108 0.041582 396 F 35 Z 0.028827 0.031622 0.024647 -0.030170 -0.008757 397 F 35 X -0.102584 -0.061347 -0.134272 0.232992 -0.062036 398 F 35 Y 0.019822 -0.064295 0.021768 0.034534 0.032168 399 F 35 Z 0.026793 0.012756 0.058532 -0.057823 0.015863 400 F 35 XX -0.003732 -0.000402 -0.004535 0.008202 0.000816 401 F 35 YY -0.000033 -0.001587 -0.001782 -0.000452 -0.000390 402 F 35 ZZ 0.003765 0.001990 0.006317 -0.007750 -0.000426 403 F 35 XY 0.000328 0.000938 -0.001310 0.001888 -0.001131 404 F 35 XZ -0.000012 -0.001406 0.000012 -0.002330 -0.001338 405 F 35 YZ 0.000798 -0.001018 -0.000081 0.002592 -0.000384 406 F 36 S 0.004706 0.000115 0.000618 -0.003480 -0.004574 407 F 36 S 0.022345 0.002809 -0.008201 -0.031058 -0.013874 408 F 36 S 0.047491 0.011225 -0.088137 -0.119917 0.011156 409 F 36 X 0.049937 0.028018 0.033039 -0.049689 -0.023199 410 F 36 Y -0.005142 0.024012 -0.014702 -0.009516 -0.016067 411 F 36 Z 0.008568 0.008275 0.007197 0.008290 -0.022083 412 F 36 X 0.016176 0.017561 0.021963 -0.066457 -0.008882 413 F 36 Y 0.030344 -0.056428 0.047090 0.014119 0.034561 414 F 36 Z 0.019031 0.001119 -0.051184 -0.058998 0.009493 415 F 36 XX 0.000090 0.002619 0.004051 -0.004186 0.000762 416 F 36 YY -0.001149 -0.001152 -0.000780 0.006309 0.000305 417 F 36 ZZ 0.001059 -0.001466 -0.003271 -0.002123 -0.001067 418 F 36 XY 0.002645 -0.004461 0.003980 -0.000137 0.002807 419 F 36 XZ -0.002889 -0.002310 -0.003141 0.003711 0.000218 420 F 36 YZ 0.000400 -0.001474 0.000520 0.000170 0.001132 421 C 37 S -0.030462 -0.106764 0.043399 0.044690 -0.029556 422 C 37 S -0.083515 -0.263020 0.130126 0.101151 -0.060908 423 C 37 S 1.250864 1.233395 -1.034156 0.421010 1.133839 424 C 37 X 0.214444 0.141435 -0.054652 -0.122575 -0.143847 425 C 37 Y -0.006131 -0.070396 0.124521 -0.054202 -0.079008 426 C 37 Z -0.097974 -0.203273 0.136681 -0.156969 0.212810 427 C 37 X -1.218354 -0.783916 0.391129 0.198031 0.080484 428 C 37 Y -0.083918 0.817527 -0.527386 0.377871 0.484392 429 C 37 Z 0.217944 0.132133 -0.576895 0.253590 -0.542382 430 C 37 XX 0.030273 0.003310 0.019087 -0.006303 0.006473 431 C 37 YY 0.030014 0.004263 -0.047201 0.045714 0.048845 432 C 37 ZZ -0.060287 -0.007573 0.028114 -0.039411 -0.055317 433 C 37 XY 0.054006 -0.051074 0.040849 -0.049328 -0.035123 434 C 37 XZ 0.043669 -0.065856 -0.039256 -0.022211 -0.068360 435 C 37 YZ 0.028277 0.054634 -0.047297 -0.026451 -0.050230 436 S 38 S -0.001322 -0.018930 -0.003092 -0.011662 0.003362 437 S 38 S -0.009292 -0.139478 -0.021333 -0.085653 0.023682 438 S 38 S -0.011221 -0.202556 -0.025701 -0.127291 0.031547 439 S 38 S 0.010230 0.283412 0.109580 0.228220 -0.331425 440 S 38 X -0.024888 -0.003656 -0.035797 0.025838 0.007338 441 S 38 Y -0.000564 0.010167 -0.014548 0.002453 0.006280 442 S 38 Z 0.018084 0.014347 0.027579 -0.022797 0.025529 443 S 38 X -0.117763 -0.021271 -0.185636 0.109808 0.020575 444 S 38 Y -0.004763 0.045585 -0.074485 0.016732 0.001219 445 S 38 Z 0.086824 0.070140 0.125174 -0.114650 0.117701 446 S 38 X 0.372342 -0.177547 0.770105 -0.308010 -0.251096 447 S 38 Y 0.127933 -0.333374 0.551448 -0.210959 -0.032916 448 S 38 Z -0.127400 -0.022608 -0.238927 0.108195 -0.211708 449 S 38 XX -0.018090 -0.001859 -0.013823 0.086369 0.113314 450 S 38 YY -0.006325 -0.017195 -0.143828 -0.070136 -0.076070 451 S 38 ZZ 0.024414 0.019054 0.157651 -0.016234 -0.037244 452 S 38 XY -0.125836 0.076844 -0.058427 0.071783 0.062488 453 S 38 XZ 0.002484 -0.129786 -0.143816 0.005937 -0.065283 454 S 38 YZ 0.056887 0.024110 0.056653 -0.004358 0.006992 455 S 38 XX -0.005452 0.002044 -0.012441 0.013603 0.016342 456 S 38 YY 0.001421 -0.005269 -0.011569 -0.011599 -0.010673 457 S 38 ZZ 0.004031 0.003226 0.024010 -0.002005 -0.005669 458 S 38 XY -0.015496 0.012584 -0.008857 0.010021 0.009512 459 S 38 XZ 0.000635 -0.018010 -0.018695 0.000796 -0.007938 460 S 38 YZ 0.007354 0.005934 0.006968 -0.001731 0.000693 461 H 39 S 0.066861 -0.027013 -0.114425 -0.050674 -0.033973 462 H 39 S 0.474244 0.375517 -0.110463 -0.100428 -0.183393 463 H 39 X -0.019115 -0.004118 -0.009830 0.013493 0.037798 464 H 39 Y 0.016157 -0.010269 0.033517 -0.016935 -0.015906 465 H 39 Z 0.021500 -0.051270 -0.034151 -0.011725 -0.029376 211 212 213 214 215 0.9885 1.0002 1.0116 1.0288 1.0345 A A A A A 1 C 1 S -0.086647 -0.062170 -0.210509 0.192529 -0.168239 2 C 1 S -0.187384 -0.129944 -0.460194 0.429088 -0.385106 3 C 1 S 0.212885 0.436176 1.141914 0.154801 1.005890 4 C 1 X -0.104064 -0.163425 -0.327981 0.266921 -0.097080 5 C 1 Y -0.058299 0.023140 -0.009681 0.096027 -0.073101 6 C 1 Z 0.021021 -0.046351 -0.007493 -0.029052 -0.022028 7 C 1 X 0.136469 0.417715 1.132891 -1.935487 -0.001008 8 C 1 Y 0.221914 -0.382601 -0.179601 0.000236 -0.197151 9 C 1 Z -0.147222 0.196513 -0.018880 0.258697 0.182941 10 C 1 XX -0.042709 -0.033857 -0.075466 0.099064 -0.020129 11 C 1 YY 0.021634 0.027002 0.023644 -0.050175 -0.009906 12 C 1 ZZ 0.021075 0.006854 0.051822 -0.048889 0.030034 13 C 1 XY 0.012593 0.033054 0.020524 0.001328 0.004122 14 C 1 XZ -0.010066 0.017769 0.030681 -0.064408 0.035282 15 C 1 YZ 0.009003 -0.001067 -0.034728 0.061505 0.010738 16 C 2 S -0.002665 -0.025686 -0.121596 0.038799 -0.138356 17 C 2 S -0.015319 -0.067722 -0.296796 0.072533 -0.306111 18 C 2 S -0.180196 0.207983 0.062698 -1.574517 0.853438 19 C 2 X -0.135730 -0.105026 -0.059897 0.100222 0.008742 20 C 2 Y 0.002211 -0.035366 -0.024321 -0.162936 -0.025335 21 C 2 Z -0.048927 -0.018220 0.065250 -0.126029 -0.053295 22 C 2 X 0.422713 0.122015 0.100725 -1.554582 -0.639495 23 C 2 Y -0.071731 0.363945 -0.471750 0.597687 0.445294 24 C 2 Z 0.198816 -0.161986 0.025595 0.041514 -0.197607 25 C 2 XX 0.008134 0.023561 0.034393 -0.064234 -0.036635 26 C 2 YY 0.008108 -0.014678 -0.065984 0.036974 -0.003218 27 C 2 ZZ -0.016242 -0.008884 0.031591 0.027260 0.039854 28 C 2 XY 0.003797 -0.012012 -0.016654 -0.033919 -0.001106 29 C 2 XZ 0.032233 0.000993 -0.021251 0.106275 -0.009370 30 C 2 YZ 0.010263 0.032513 -0.039691 0.091737 0.051652 31 C 3 S -0.028699 0.071796 -0.038557 0.021657 -0.086215 32 C 3 S -0.066172 0.122429 -0.085801 0.040858 -0.186390 33 C 3 S 1.320963 -0.816885 -0.749599 -1.549988 0.666761 34 C 3 X -0.100194 0.065680 0.040641 -0.033997 -0.137183 35 C 3 Y -0.071251 0.017501 0.053132 -0.105831 -0.070559 36 C 3 Z 0.152571 -0.079663 0.165031 -0.136349 -0.346207 37 C 3 X -0.545343 0.595332 1.341336 1.850707 0.808695 38 C 3 Y -0.099648 -0.185163 -1.261312 -0.093022 1.230366 39 C 3 Z -0.309826 0.440538 -0.537991 0.547230 0.866843 40 C 3 XX 0.053121 0.061695 -0.023998 -0.005666 0.028802 41 C 3 YY -0.037727 -0.026824 -0.032001 -0.025542 -0.047155 42 C 3 ZZ -0.015393 -0.034871 0.055999 0.031208 0.018353 43 C 3 XY 0.003419 0.008617 0.003224 0.064147 0.028455 44 C 3 XZ 0.037930 0.020946 0.010338 0.093359 0.006949 45 C 3 YZ 0.048761 -0.012548 0.022355 -0.017168 -0.094528 46 C 4 S -0.027915 0.102966 -0.029938 -0.072466 -0.007008 47 C 4 S -0.056115 0.239947 -0.066779 -0.158675 -0.032604 48 C 4 S 0.550869 -1.261894 0.413156 -0.329250 -1.141200 49 C 4 X -0.084035 -0.053772 0.131509 -0.056982 -0.165361 50 C 4 Y -0.055629 -0.022487 -0.069442 -0.099673 0.083077 51 C 4 Z -0.192388 0.066091 -0.045595 -0.195791 0.130319 52 C 4 X 0.316610 0.284912 -0.663177 0.607831 1.137948 53 C 4 Y 0.212582 0.045646 0.866098 0.772572 -0.181624 54 C 4 Z 0.626820 -0.305074 0.429556 0.996641 0.112969 55 C 4 XX -0.046800 0.017368 -0.021787 0.005020 -0.071368 56 C 4 YY 0.018963 -0.001337 0.027037 -0.019899 0.016638 57 C 4 ZZ 0.027838 -0.016031 -0.005250 0.014878 0.054730 58 C 4 XY 0.006247 0.030366 0.010766 -0.009251 -0.011171 59 C 4 XZ -0.064706 -0.016239 -0.024825 -0.050095 -0.024223 60 C 4 YZ -0.012966 0.085148 -0.032138 0.021763 0.021241 61 S 5 S 0.010074 0.021234 -0.011802 -0.025612 0.003756 62 S 5 S 0.071096 0.154673 -0.089356 -0.185106 0.024263 63 S 5 S 0.087314 0.212956 -0.139886 -0.260045 0.024522 64 S 5 S -0.362893 -0.356921 0.107103 0.910843 -0.399801 65 S 5 X 0.004683 -0.007646 -0.022667 -0.004460 0.016425 66 S 5 Y -0.011898 -0.018612 -0.037732 0.003555 -0.019830 67 S 5 Z -0.031103 0.056838 0.016278 0.036459 0.034971 68 S 5 X 0.019862 -0.026591 -0.106943 0.016892 0.050551 69 S 5 Y -0.076041 -0.090904 -0.191685 0.016911 -0.095435 70 S 5 Z -0.140438 0.259942 0.073633 0.156191 0.158630 71 S 5 X 0.084963 0.048430 0.004174 -0.126985 0.095614 72 S 5 Y 0.133092 0.224432 0.959406 -0.711780 0.037567 73 S 5 Z 0.159823 -0.404427 -0.022031 -0.398276 -0.379641 74 S 5 XX -0.038096 -0.016138 -0.083778 -0.032104 0.005895 75 S 5 YY 0.090039 0.114193 0.067218 0.007701 0.149964 76 S 5 ZZ -0.051943 -0.098055 0.016560 0.024404 -0.155859 77 S 5 XY -0.018053 -0.008772 -0.071146 -0.045945 0.006260 78 S 5 XZ 0.033816 0.114405 -0.034988 0.261496 0.133251 79 S 5 YZ -0.025146 -0.008339 -0.032519 -0.070507 -0.027066 80 S 5 XX -0.007260 -0.005412 -0.017259 -0.001407 0.000898 81 S 5 YY 0.015344 0.020409 0.017720 -0.006076 0.023176 82 S 5 ZZ -0.008084 -0.014998 -0.000461 0.007483 -0.024074 83 S 5 XY -0.000544 0.001096 -0.000545 -0.011416 0.000118 84 S 5 XZ 0.003333 0.016253 -0.003238 0.034087 0.016792 85 S 5 YZ -0.001170 -0.003223 -0.005792 -0.008111 -0.003489 86 H 6 S 0.145133 0.038220 -0.033546 -0.099320 -0.031837 87 H 6 S -0.006636 0.202265 -0.095353 -0.008022 -0.177176 88 H 6 X -0.012170 -0.005506 -0.021435 0.038245 -0.024577 89 H 6 Y 0.017762 0.018937 0.006322 0.016280 -0.003068 90 H 6 Z 0.018111 -0.023859 0.034321 -0.069517 -0.054320 91 C 7 S 0.017893 0.039737 -0.015779 -0.095169 -0.003880 92 C 7 S 0.012129 0.096016 -0.048451 -0.189929 -0.008413 93 C 7 S 0.678251 -0.208815 -1.637711 1.104939 0.034631 94 C 7 X -0.093059 -0.003266 -0.087762 -0.133439 0.029665 95 C 7 Y -0.009902 -0.178681 -0.103468 0.014861 -0.001025 96 C 7 Z -0.086024 -0.263381 0.011305 0.153633 0.042259 97 C 7 X 0.275362 -0.770206 1.776709 0.689122 -0.962074 98 C 7 Y -0.692069 0.396452 0.537564 -0.989040 0.039866 99 C 7 Z -0.002867 0.503286 -0.071816 -0.505896 0.152202 100 C 7 XX 0.033892 -0.019733 -0.044993 -0.016510 0.012356 101 C 7 YY -0.010441 0.011739 0.000140 0.015993 -0.022097 102 C 7 ZZ -0.023451 0.007994 0.044853 0.000518 0.009741 103 C 7 XY 0.049683 0.037547 -0.042713 -0.052622 0.087683 104 C 7 XZ -0.015103 0.030280 0.030079 0.054166 -0.019918 105 C 7 YZ 0.027567 -0.024511 -0.017152 0.037468 0.023905 106 C 8 S -0.197544 0.072223 -0.230992 -0.088547 -0.075603 107 C 8 S -0.440118 0.167182 -0.526332 -0.192389 -0.164743 108 C 8 S 0.614314 -0.781368 0.259682 -0.488265 0.153145 109 C 8 X 0.124431 0.111730 0.215615 0.094786 -0.054413 110 C 8 Y -0.180757 0.065751 -0.142558 -0.040091 -0.059187 111 C 8 Z -0.034094 0.011778 -0.039027 -0.000585 0.022439 112 C 8 X -0.270778 -0.229897 -0.172447 -0.550583 0.346285 113 C 8 Y 1.076361 -0.062309 1.531355 0.750030 0.389410 114 C 8 Z 0.160985 0.066337 0.221820 0.090448 0.045979 115 C 8 XX -0.007130 0.016331 0.004181 -0.004346 -0.007070 116 C 8 YY -0.038019 -0.022280 -0.087315 -0.068589 -0.022618 117 C 8 ZZ 0.045149 0.005950 0.083134 0.072935 0.029688 118 C 8 XY 0.049963 0.031898 0.044939 0.043689 0.026262 119 C 8 XZ 0.001763 -0.009231 0.015519 0.017198 -0.002742 120 C 8 YZ 0.013991 -0.001764 -0.034753 -0.002598 0.068536 121 C 9 S -0.010413 0.032941 -0.021325 -0.047393 -0.058303 122 C 9 S -0.034915 0.073180 -0.067794 -0.104453 -0.108197 123 C 9 S -0.250201 0.133298 -0.572060 -0.712508 0.704485 124 C 9 X -0.011041 0.040296 0.051586 -0.005607 0.150404 125 C 9 Y -0.010520 0.023986 -0.203303 0.135478 0.077967 126 C 9 Z 0.061920 -0.397901 0.013122 -0.042088 0.034361 127 C 9 X 0.493489 -0.701183 0.218960 0.462991 -1.229761 128 C 9 Y 0.153185 -0.328185 -0.135577 -0.992627 -0.532061 129 C 9 Z -0.167839 1.437694 -0.833256 -0.438911 0.099610 130 C 9 XX -0.018370 0.043404 -0.009246 -0.032310 -0.007913 131 C 9 YY 0.047351 0.006208 -0.018133 -0.017011 0.018011 132 C 9 ZZ -0.028981 -0.049612 0.027378 0.049321 -0.010099 133 C 9 XY 0.005128 -0.007285 0.015197 0.019754 -0.022729 134 C 9 XZ 0.045063 -0.006694 0.012043 -0.014102 0.029238 135 C 9 YZ 0.006127 0.028586 0.017305 -0.034480 -0.011174 136 C 10 S 0.028633 0.046466 0.048238 -0.064317 -0.098904 137 C 10 S 0.060788 0.075761 0.102108 -0.174174 -0.226953 138 C 10 S -1.097861 -0.336075 1.161934 0.128595 -0.389819 139 C 10 X -0.005987 -0.029395 -0.116292 -0.151500 0.029072 140 C 10 Y 0.156168 -0.156659 -0.040969 -0.086757 0.089222 141 C 10 Z -0.222604 -0.021013 0.194682 -0.145099 -0.188312 142 C 10 X -0.970941 -0.533695 1.480814 -0.983547 -0.154514 143 C 10 Y 0.264456 0.252340 1.535889 0.958425 -1.121977 144 C 10 Z 0.932767 0.138860 -0.896590 0.712829 0.546648 145 C 10 XX 0.025497 0.012376 0.031323 -0.030979 -0.024633 146 C 10 YY -0.044205 0.008967 0.024289 -0.000413 -0.038622 147 C 10 ZZ 0.018708 -0.021343 -0.055612 0.031392 0.063255 148 C 10 XY 0.030926 -0.007646 0.035666 0.011842 0.005963 149 C 10 XZ -0.019967 -0.042451 -0.001840 -0.055456 -0.017066 150 C 10 YZ -0.007520 -0.038164 -0.020473 -0.067073 0.037995 151 C 11 S 0.048887 0.068471 -0.035746 -0.018771 -0.101184 152 C 11 S 0.110538 0.178783 -0.038473 -0.019784 -0.218341 153 C 11 S -1.189803 0.829794 2.630547 2.186904 -0.225227 154 C 11 X -0.012971 0.167305 0.019708 -0.080974 0.145442 155 C 11 Y -0.163470 0.028793 0.067327 0.020183 -0.063064 156 C 11 Z 0.205596 0.107325 -0.030834 0.273771 -0.182565 157 C 11 X 0.162101 0.474173 0.631356 1.862918 -0.701778 158 C 11 Y 2.121488 -0.205747 -0.476385 -0.352407 -0.433502 159 C 11 Z -0.713094 -0.397043 0.414688 -0.815593 0.304786 160 C 11 XX -0.016643 0.008851 0.013569 0.020322 0.000053 161 C 11 YY -0.016044 0.050403 0.009650 0.026512 -0.046346 162 C 11 ZZ 0.032687 -0.059254 -0.023219 -0.046833 0.046293 163 C 11 XY -0.056867 0.002875 -0.011278 -0.005067 -0.047788 164 C 11 XZ 0.030788 -0.032119 0.019870 -0.100309 -0.096147 165 C 11 YZ -0.005089 0.011414 0.022610 0.055567 -0.046645 166 C 12 S 0.064118 -0.024482 -0.042769 -0.102614 -0.038323 167 C 12 S 0.138004 -0.056628 -0.100311 -0.225091 -0.072545 168 C 12 S -0.110016 -0.011211 0.452169 0.137404 0.095544 169 C 12 X -0.025529 0.004921 0.050539 -0.018661 -0.042907 170 C 12 Y -0.009296 -0.005033 0.071824 0.046094 0.067375 171 C 12 Z 0.049770 0.020018 -0.056315 0.009836 0.053549 172 C 12 X -0.627448 -0.474129 0.067703 -0.845737 0.442777 173 C 12 Y 0.321329 -0.225875 -0.755583 -0.515773 0.440037 174 C 12 Z -1.022276 -0.104180 0.890983 -0.116939 -0.952439 175 C 12 XX -0.020377 0.000173 0.052800 -0.007547 -0.023723 176 C 12 YY 0.095193 0.005966 -0.065898 -0.007101 0.072185 177 C 12 ZZ -0.074816 -0.006138 0.013098 0.014648 -0.048463 178 C 12 XY -0.035653 0.019357 -0.020846 0.009797 -0.036886 179 C 12 XZ 0.019019 0.002227 -0.023085 0.031668 0.012404 180 C 12 YZ 0.003562 0.005035 -0.005735 -0.008517 -0.032858 181 C 13 S 0.005854 0.016513 -0.052623 0.078089 0.021622 182 C 13 S 0.028436 0.024774 -0.101967 0.156543 0.043269 183 C 13 S 1.131637 -0.400965 -0.341673 -1.301762 -0.248261 184 C 13 X 0.026646 -0.018756 0.004024 0.047442 -0.095519 185 C 13 Y 0.077577 0.028619 -0.045466 0.050132 -0.036851 186 C 13 Z 0.097586 -0.010350 0.015601 0.039662 -0.052792 187 C 13 X -0.236385 0.158282 0.499862 0.256283 -0.465496 188 C 13 Y -1.627329 -0.301728 0.696036 -0.324246 0.147930 189 C 13 Z 0.229094 -0.286471 -0.860041 -0.736933 1.154066 190 C 13 XX 0.098774 -0.032409 -0.086594 -0.107747 0.100954 191 C 13 YY -0.034123 0.008679 0.001097 0.055853 -0.035791 192 C 13 ZZ -0.064650 0.023730 0.085497 0.051894 -0.065163 193 C 13 XY -0.051539 -0.024245 -0.012130 -0.008525 0.007587 194 C 13 XZ 0.023532 0.006064 -0.018551 -0.012573 -0.010941 195 C 13 YZ -0.011938 0.001752 0.016577 -0.005960 0.022514 196 C 14 S 0.084747 0.024372 -0.078898 -0.029486 -0.044450 197 C 14 S 0.178328 0.064994 -0.161490 -0.053949 -0.077531 198 C 14 S -0.315649 -0.061468 0.513307 0.827569 -0.122413 199 C 14 X -0.146074 0.078973 0.066820 0.155294 -0.013491 200 C 14 Y 0.062882 0.009811 -0.031664 -0.051594 -0.131142 201 C 14 Z -0.211274 -0.057552 0.011570 -0.095934 0.130819 202 C 14 X 1.992306 -0.099729 -0.831981 -0.269021 -0.059250 203 C 14 Y -0.890446 0.123168 0.323431 0.583933 -0.061884 204 C 14 Z 1.005383 0.418234 0.178737 0.618942 -1.186324 205 C 14 XX -0.001050 -0.015969 -0.021254 0.023458 -0.083076 206 C 14 YY 0.024716 -0.021559 -0.022516 -0.039005 0.074584 207 C 14 ZZ -0.023667 0.037528 0.043770 0.015547 0.008492 208 C 14 XY 0.065730 -0.019728 -0.021189 0.001287 0.014171 209 C 14 XZ -0.008085 0.007048 -0.003419 0.036710 0.037069 210 C 14 YZ -0.017894 -0.002647 -0.013398 0.023375 0.049648 211 F 15 S -0.005569 -0.001525 0.012580 -0.002502 -0.009013 212 F 15 S 0.026485 -0.001856 0.003905 -0.014518 0.015372 213 F 15 S 0.340693 0.008978 -0.313584 -0.064631 0.347844 214 F 15 X -0.021556 -0.004107 0.052930 -0.051910 -0.036962 215 F 15 Y -0.031174 0.007416 0.032752 0.018220 0.029956 216 F 15 Z 0.054439 -0.003091 -0.052474 -0.032564 0.072951 217 F 15 X 0.085831 0.034514 -0.048506 0.034500 0.056040 218 F 15 Y -0.047922 0.008701 0.038404 0.021346 -0.046308 219 F 15 Z -0.127576 0.000421 0.097044 0.041671 -0.145726 220 F 15 XX -0.002866 0.000674 0.000049 0.006258 -0.000389 221 F 15 YY -0.005628 -0.000710 0.003856 -0.001447 -0.003365 222 F 15 ZZ 0.008494 0.000036 -0.003904 -0.004811 0.003754 223 F 15 XY -0.002876 -0.000479 0.002167 -0.004039 0.000210 224 F 15 XZ -0.003120 0.000688 0.004308 -0.000304 -0.002071 225 F 15 YZ -0.002835 0.000223 0.000557 -0.001131 0.001197 226 F 16 S 0.012658 -0.002597 -0.012616 -0.005216 0.002738 227 F 16 S -0.009120 -0.006434 0.001727 -0.015948 -0.034711 228 F 16 S -0.352320 0.007528 0.335798 0.004788 -0.309702 229 F 16 X 0.027732 -0.007520 -0.033327 0.008158 -0.004386 230 F 16 Y -0.084727 0.015119 0.034735 0.005447 -0.032087 231 F 16 Z -0.015430 0.023849 0.006424 0.046584 0.034872 232 F 16 X -0.044511 0.031756 0.082213 0.050820 -0.081071 233 F 16 Y 0.176857 -0.004102 -0.081374 0.044044 0.160644 234 F 16 Z -0.025255 0.002238 0.014501 -0.010518 -0.033758 235 F 16 XX -0.000532 0.002670 -0.001891 0.001538 0.002692 236 F 16 YY -0.002644 -0.002091 0.004900 -0.000277 -0.003158 237 F 16 ZZ 0.003176 -0.000579 -0.003009 -0.001261 0.000466 238 F 16 XY 0.002374 -0.000474 0.001728 0.001672 0.001330 239 F 16 XZ -0.001456 -0.001570 0.000360 -0.002207 0.000012 240 F 16 YZ -0.001774 0.000809 -0.001282 0.002473 0.001108 241 F 17 S 0.001770 -0.002856 -0.004086 -0.011143 0.005128 242 F 17 S 0.013716 0.005488 -0.005010 -0.013568 -0.036540 243 F 17 S 0.101566 0.128353 0.048587 0.194857 -0.368458 244 F 17 X -0.003382 0.006081 0.025232 -0.013752 0.008068 245 F 17 Y 0.026698 -0.023897 -0.032048 -0.041536 0.033472 246 F 17 Z -0.105414 -0.004247 0.022378 0.000717 0.062377 247 F 17 X -0.130318 0.011774 0.071286 0.071357 -0.056738 248 F 17 Y 0.085868 0.035041 0.010793 0.013374 -0.204292 249 F 17 Z -0.033362 0.012118 -0.005569 0.007253 -0.088864 250 F 17 XX -0.008491 -0.001992 0.000445 -0.000452 0.001868 251 F 17 YY 0.002086 0.003574 0.001322 0.003947 -0.002729 252 F 17 ZZ 0.006405 -0.001582 -0.001767 -0.003496 0.000861 253 F 17 XY -0.002027 0.001168 0.000005 -0.001149 0.001247 254 F 17 XZ 0.003840 0.001071 -0.000749 -0.000106 -0.001643 255 F 17 YZ 0.005120 0.001925 -0.002223 0.002544 -0.003589 256 F 18 S 0.013750 0.005353 -0.000010 0.017433 -0.009722 257 F 18 S 0.015687 0.001444 -0.023505 0.037636 0.010773 258 F 18 S -0.217206 -0.126127 -0.177024 -0.198754 0.359744 259 F 18 X 0.003911 0.018365 0.002295 0.050320 -0.034337 260 F 18 Y 0.121025 0.001811 -0.031538 0.001659 -0.050732 261 F 18 Z -0.021232 -0.026246 -0.043039 -0.033794 0.078428 262 F 18 X -0.149429 -0.020174 -0.007364 0.005054 0.074131 263 F 18 Y -0.015807 -0.037167 -0.029977 -0.052788 0.077483 264 F 18 Z 0.011419 0.030023 0.097624 0.016057 -0.093632 265 F 18 XX -0.002042 0.001435 0.002164 0.000661 -0.000530 266 F 18 YY 0.002533 0.001780 0.002201 0.001978 -0.004659 267 F 18 ZZ -0.000491 -0.003215 -0.004365 -0.002639 0.005189 268 F 18 XY -0.007670 -0.000108 0.004584 -0.000003 0.002927 269 F 18 XZ -0.000294 -0.000073 0.001465 0.001285 -0.005088 270 F 18 YZ 0.006154 0.000291 0.002900 0.001444 -0.003869 271 C 19 S -0.069227 0.011172 -0.087421 -0.015484 -0.061192 272 C 19 S -0.145543 0.001078 -0.191409 -0.028152 -0.127732 273 C 19 S -0.218264 0.131736 -0.393203 -0.017673 -0.002562 274 C 19 X 0.063802 -0.020897 0.047892 0.030419 0.006860 275 C 19 Y -0.057995 0.054037 0.038587 -0.060429 -0.005000 276 C 19 Z -0.023469 0.016483 0.019617 -0.019323 -0.055633 277 C 19 X 0.189019 0.024576 0.269129 0.056564 0.130283 278 C 19 Y 0.539199 -0.243700 0.469119 0.138710 0.255012 279 C 19 Z 0.089363 -0.102211 0.017355 0.035243 0.140907 280 C 19 XX -0.022240 0.002711 -0.021146 -0.005217 0.010400 281 C 19 YY -0.024833 0.016648 0.001413 -0.008597 -0.025675 282 C 19 ZZ 0.047073 -0.019359 0.019733 0.013813 0.015275 283 C 19 XY -0.054518 0.026940 -0.063250 0.005201 -0.018092 284 C 19 XZ -0.039436 0.017191 -0.009325 -0.023812 -0.069122 285 C 19 YZ -0.013625 -0.000065 -0.005852 -0.006777 -0.019042 286 H 20 S -0.044770 0.067178 -0.007603 0.025390 -0.048450 287 H 20 S 0.014413 -0.086659 -0.069942 -0.015345 -0.068637 288 H 20 X -0.018093 0.026187 -0.003083 -0.007501 0.003112 289 H 20 Y 0.009983 0.012654 0.006538 0.027882 0.002626 290 H 20 Z -0.013624 0.006823 -0.003029 -0.010565 -0.028283 291 H 21 S -0.084266 0.067524 -0.110084 -0.046970 -0.052788 292 H 21 S -0.180441 -0.012638 -0.156632 -0.031873 -0.036683 293 H 21 X -0.004027 -0.007389 -0.023398 -0.003133 0.021338 294 H 21 Y -0.004153 0.003812 -0.005870 -0.003986 -0.001157 295 H 21 Z -0.015731 -0.003126 -0.004430 -0.008936 0.004113 296 C 22 S -0.003919 0.016885 -0.032738 0.075849 -0.060803 297 C 22 S -0.000437 0.045204 -0.050842 0.165434 -0.128086 298 C 22 S 0.057208 -0.450911 -0.397848 0.134894 0.023065 299 C 22 X 0.014950 0.030008 -0.051242 0.107005 0.016198 300 C 22 Y 0.039739 0.019070 0.012612 0.055123 0.008940 301 C 22 Z 0.049510 -0.010179 0.002097 0.030800 -0.047402 302 C 22 X 0.006873 0.063015 0.268401 -0.272666 0.128055 303 C 22 Y -0.055023 -0.212981 -0.449400 0.481540 -0.195790 304 C 22 Z -0.061628 -0.083595 -0.083134 -0.069306 0.031221 305 C 22 XX 0.032008 0.030147 0.034630 -0.018046 0.013146 306 C 22 YY -0.025490 -0.030983 -0.071073 0.070977 -0.034220 307 C 22 ZZ -0.006519 0.000836 0.036443 -0.052931 0.021074 308 C 22 XY 0.002255 0.023613 0.036253 -0.009880 0.026054 309 C 22 XZ -0.017356 0.002001 0.008310 -0.032311 0.006871 310 C 22 YZ -0.019467 0.012335 0.025815 -0.067043 0.012465 311 H 23 S 0.010997 0.029200 -0.013581 0.038830 -0.011704 312 H 23 S -0.015948 -0.042575 -0.045022 0.049180 -0.031060 313 H 23 X -0.007759 -0.003564 0.014174 -0.032817 0.000728 314 H 23 Y -0.004078 -0.002686 0.009512 -0.013172 -0.016083 315 H 23 Z 0.012684 -0.011286 -0.018340 0.037225 -0.007001 316 H 24 S -0.043150 -0.039444 -0.106018 0.070591 -0.057715 317 H 24 S 0.054232 0.060471 -0.076475 0.307494 -0.111066 318 H 24 X -0.000689 -0.004717 -0.000213 -0.020462 -0.002586 319 H 24 Y -0.003136 0.025681 0.050718 -0.070332 0.021259 320 H 24 Z -0.022190 -0.007740 0.003922 -0.032856 0.019275 321 H 25 S -0.030357 -0.043641 -0.123926 0.093516 -0.041714 322 H 25 S -0.063384 -0.006651 -0.108882 0.120189 -0.067364 323 H 25 X 0.011390 -0.001382 -0.008174 0.008541 -0.003378 324 H 25 Y 0.018201 0.004011 0.012381 0.008423 0.005433 325 H 25 Z -0.000199 0.020035 0.000475 0.021004 0.007974 326 C 26 S 0.160799 0.153439 -0.135532 -0.148841 -0.031805 327 C 26 S 0.420612 0.329761 -0.329673 -0.346033 -0.086153 328 C 26 S -0.934357 -0.203552 0.595458 0.690991 -0.026855 329 C 26 X 0.115038 -0.007604 0.040401 -0.060602 0.142586 330 C 26 Y -0.147752 0.055482 -0.057948 -0.072092 -0.019526 331 C 26 Z -0.149560 -0.118422 0.199114 0.106991 0.027558 332 C 26 X -0.419995 0.134066 -0.107004 0.230436 -0.005926 333 C 26 Y 0.200848 0.432390 0.065185 0.012159 0.308508 334 C 26 Z 0.398393 0.927929 -0.817827 -0.590372 -0.124697 335 C 26 XX -0.083975 0.004222 0.004779 -0.015565 0.006707 336 C 26 YY 0.006328 -0.126272 0.045961 0.051498 0.024832 337 C 26 ZZ 0.077648 0.122050 -0.050740 -0.035932 -0.031539 338 C 26 XY -0.008552 0.026849 0.025647 -0.022837 0.044958 339 C 26 XZ -0.017981 0.001014 -0.027119 0.002135 -0.009234 340 C 26 YZ -0.014099 -0.017358 -0.000082 0.026568 -0.043483 341 H 27 S -0.245128 0.173046 0.154299 -0.013494 0.092588 342 H 27 S 0.294985 0.498025 -0.556804 -0.187310 0.144299 343 H 27 X 0.066184 -0.028345 -0.039799 -0.022219 -0.030186 344 H 27 Y 0.034873 0.041205 -0.053223 -0.015648 -0.008125 345 H 27 Z 0.038240 -0.009778 0.008460 -0.000160 -0.003997 346 H 28 S -0.113042 -0.001353 0.011889 0.110790 0.009827 347 H 28 S 0.165728 0.364685 -0.526187 -0.468323 -0.255997 348 H 28 X 0.007623 0.030083 0.010805 -0.006340 0.026666 349 H 28 Y -0.036697 -0.079718 0.092250 0.065175 0.031908 350 H 28 Z 0.018373 -0.060097 0.006301 -0.013645 -0.015774 351 H 29 S -0.161182 0.195369 0.075597 -0.061006 0.053232 352 H 29 S 0.769009 0.207920 -0.331004 -0.469340 0.017425 353 H 29 X -0.126045 0.005633 0.038592 0.028703 -0.011610 354 H 29 Y 0.042901 0.030200 -0.021283 -0.064032 0.024519 355 H 29 Z 0.003537 -0.007192 -0.031203 0.001632 0.000664 356 C 30 S 0.062215 0.063582 -0.087373 -0.044902 -0.113172 357 C 30 S 0.166192 0.136295 -0.212497 -0.086839 -0.279655 358 C 30 S -0.682371 -0.173478 0.151457 -0.357284 0.828916 359 C 30 X 0.054368 -0.003683 0.064751 -0.028547 -0.202934 360 C 30 Y 0.100548 0.089298 0.052162 0.063622 -0.031082 361 C 30 Z 0.005761 0.163723 -0.132839 0.014981 -0.082203 362 C 30 X -0.299458 0.076729 -0.095041 0.224536 0.638307 363 C 30 Y -0.201622 -0.759372 -0.317231 -0.205509 0.386815 364 C 30 Z 0.341785 -0.345872 0.405916 0.554533 0.409790 365 C 30 XX -0.001012 0.034938 0.033646 0.034316 -0.035790 366 C 30 YY 0.018321 -0.115713 0.022226 0.015404 0.036969 367 C 30 ZZ -0.017309 0.080775 -0.055872 -0.049719 -0.001179 368 C 30 XY 0.015034 0.001055 -0.002369 -0.006755 -0.027872 369 C 30 XZ 0.033632 0.009475 0.006478 0.020642 0.098732 370 C 30 YZ -0.022399 -0.066033 -0.034796 -0.026862 0.018103 371 H 31 S -0.082679 -0.247752 0.081235 -0.158032 0.102426 372 H 31 S -0.104744 -0.079478 -0.435856 -0.252085 -0.268841 373 H 31 X -0.004700 -0.013889 -0.001602 0.002849 0.056841 374 H 31 Y 0.002369 0.050848 -0.048413 -0.011721 -0.053222 375 H 31 Z -0.010580 0.041866 0.037441 -0.016536 -0.011225 376 H 32 S -0.147761 0.121912 0.048227 0.024437 0.161251 377 H 32 S 0.015594 0.300532 -0.073752 0.030343 -0.242535 378 H 32 X 0.017325 0.006455 -0.037484 0.004886 -0.000425 379 H 32 Y -0.013539 -0.042782 0.021621 -0.010931 0.040034 380 H 32 Z -0.037789 -0.016496 -0.003399 -0.020867 -0.039031 381 H 33 S -0.021890 0.006740 0.160273 -0.147683 -0.185319 382 H 33 S 0.243176 0.375742 -0.082393 -0.072776 -0.607106 383 H 33 X -0.037902 0.019776 0.031043 0.006362 0.054969 384 H 33 Y -0.034776 -0.090375 -0.008972 -0.026758 0.036744 385 H 33 Z -0.015439 -0.010177 0.010755 -0.020610 0.044369 386 H 34 S -0.068625 0.065215 -0.098824 -0.034629 -0.040472 387 H 34 S -0.252539 0.118755 -0.129284 -0.078972 -0.184001 388 H 34 X -0.037800 0.010677 -0.028186 -0.027638 -0.038931 389 H 34 Y -0.016744 0.005491 -0.011560 -0.011615 -0.013545 390 H 34 Z 0.021031 0.000828 -0.003473 0.012077 0.015817 391 F 35 S 0.014126 -0.005146 -0.011523 -0.009300 0.005481 392 F 35 S -0.004195 0.003476 0.013519 0.023436 -0.029190 393 F 35 S -0.342644 0.145890 0.369436 0.385056 -0.319994 394 F 35 X 0.073389 -0.027507 -0.069229 -0.073432 0.036412 395 F 35 Y 0.023793 0.012527 -0.034785 0.032968 -0.007471 396 F 35 Z 0.059479 -0.008766 -0.017042 -0.002689 -0.028538 397 F 35 X -0.190620 0.076767 0.185363 0.226446 -0.194494 398 F 35 Y 0.069521 0.023500 -0.024317 0.035087 -0.022485 399 F 35 Z 0.051233 -0.007361 -0.008672 -0.044217 -0.010067 400 F 35 XX -0.003564 0.001854 0.003582 0.006336 -0.000914 401 F 35 YY -0.001582 -0.000379 -0.000896 -0.000674 0.002249 402 F 35 ZZ 0.005146 -0.001475 -0.002686 -0.005662 -0.001335 403 F 35 XY 0.002337 0.000655 0.001861 -0.000958 -0.000022 404 F 35 XZ -0.001589 -0.000536 0.002311 0.000121 -0.001510 405 F 35 YZ 0.001325 0.000195 -0.000334 0.000588 -0.000329 406 F 36 S 0.011216 -0.001830 0.001847 -0.001106 -0.015818 407 F 36 S 0.045253 -0.012899 -0.040270 -0.020012 0.007043 408 F 36 S 0.047365 -0.052864 -0.348171 -0.122918 0.460627 409 F 36 X 0.084332 -0.020947 -0.014751 -0.012663 -0.056589 410 F 36 Y -0.009045 -0.006342 0.009284 -0.015537 0.024937 411 F 36 Z 0.011690 0.013497 0.051003 0.016723 -0.086086 412 F 36 X 0.020002 -0.003449 -0.053662 -0.043489 0.050027 413 F 36 Y 0.063818 0.018377 -0.025293 0.028964 -0.042682 414 F 36 Z 0.049069 -0.029095 -0.168451 -0.039116 0.200310 415 F 36 XX 0.001911 -0.000104 0.002093 -0.002637 -0.004422 416 F 36 YY -0.003477 0.000679 0.004726 0.004126 -0.000346 417 F 36 ZZ 0.001565 -0.000574 -0.006820 -0.001489 0.004768 418 F 36 XY 0.007172 0.001582 -0.003287 0.001663 -0.002990 419 F 36 XZ -0.004763 0.000331 0.003275 0.004339 0.000124 420 F 36 YZ 0.001649 0.000564 -0.000251 0.001864 -0.002065 421 C 37 S -0.062905 0.132845 -0.096185 -0.155180 -0.052855 422 C 37 S -0.157491 0.301949 -0.209385 -0.353452 -0.108142 423 C 37 S 0.667219 -0.082142 1.506670 1.577868 0.989105 424 C 37 X -0.027975 0.051743 -0.033422 0.053750 0.005807 425 C 37 Y -0.052550 -0.136559 -0.178799 0.011275 0.001749 426 C 37 Z 0.024651 -0.238026 0.019041 0.018931 -0.024235 427 C 37 X 0.144707 -0.490053 -0.491937 -0.678414 -0.409302 428 C 37 Y 0.603175 0.468308 0.774521 0.731089 -0.217671 429 C 37 Z 0.085188 0.021992 0.089563 0.026492 -0.075384 430 C 37 XX 0.014791 0.014585 0.020225 -0.014982 0.030412 431 C 37 YY 0.013264 0.026368 -0.003272 -0.003747 0.025856 432 C 37 ZZ -0.028055 -0.040953 -0.016953 0.018730 -0.056268 433 C 37 XY -0.038269 0.008272 -0.037759 -0.016974 0.035511 434 C 37 XZ 0.000071 -0.034090 -0.003722 0.022779 0.058832 435 C 37 YZ -0.040397 0.021551 0.000319 -0.013193 -0.054395 436 S 38 S 0.002795 0.017099 0.005352 0.008000 -0.015683 437 S 38 S 0.019871 0.125235 0.036628 0.058137 -0.113437 438 S 38 S 0.031377 0.180443 0.046753 0.083669 -0.150994 439 S 38 S -0.048209 -0.400871 -0.416299 -0.059587 0.370532 440 S 38 X -0.001256 -0.006647 0.016180 0.004777 -0.008952 441 S 38 Y 0.001309 -0.010877 0.023253 -0.005068 0.000475 442 S 38 Z -0.007966 0.026678 0.004350 0.012844 -0.000280 443 S 38 X 0.004005 -0.017441 0.092480 0.037204 -0.044517 444 S 38 Y -0.003631 -0.053521 0.080844 -0.024479 -0.002389 445 S 38 Z -0.039320 0.117850 0.021899 0.057016 -0.008133 446 S 38 X -0.379726 0.203894 -0.604431 -0.405071 0.281504 447 S 38 Y -0.376925 0.250617 -0.283072 -0.274879 -0.132670 448 S 38 Z -0.000417 -0.292710 -0.054369 -0.047503 -0.037606 449 S 38 XX 0.037388 0.029659 0.101168 -0.084129 -0.003652 450 S 38 YY 0.127558 0.013774 0.071627 0.094511 0.047375 451 S 38 ZZ -0.164946 -0.043434 -0.172795 -0.010382 -0.043723 452 S 38 XY 0.038257 -0.095230 0.103295 -0.050403 -0.115138 453 S 38 XZ 0.026987 -0.112032 -0.005800 -0.038133 0.001374 454 S 38 YZ -0.010726 0.254159 -0.038282 0.010386 0.048309 455 S 38 XX 0.011365 0.003295 0.019780 -0.007607 -0.001048 456 S 38 YY 0.012821 0.003798 0.006861 0.010207 0.005594 457 S 38 ZZ -0.024186 -0.007093 -0.026641 -0.002600 -0.004546 458 S 38 XY 0.006682 -0.011217 0.012521 -0.008570 -0.012405 459 S 38 XZ 0.004847 -0.015796 0.000063 -0.004906 0.000366 460 S 38 YZ -0.002362 0.032843 -0.004898 0.003525 0.005590 461 H 39 S 0.031539 0.189494 0.207693 0.078816 0.002893 462 H 39 S -0.246975 0.289084 -0.088995 0.237930 0.056513 463 H 39 X 0.021511 -0.028240 0.038222 0.035051 0.020515 464 H 39 Y -0.029167 0.020944 -0.023472 -0.002095 0.018168 465 H 39 Z 0.001895 -0.020077 0.005246 0.009240 0.032884 216 217 218 219 220 1.0570 1.0580 1.0615 1.0878 1.0983 A A A A A 1 C 1 S -0.156795 0.055861 -0.090159 0.041126 0.035427 2 C 1 S -0.356241 0.127086 -0.207842 0.079051 0.067058 3 C 1 S 0.342216 -1.111406 1.907359 0.249726 -0.935038 4 C 1 X -0.216978 -0.025842 -0.057780 -0.040416 -0.067852 5 C 1 Y -0.008103 -0.019332 0.088733 0.102508 -0.011513 6 C 1 Z 0.035429 0.039260 0.087121 -0.007721 -0.067862 7 C 1 X 2.212557 0.998571 -1.180487 -0.185611 1.104545 8 C 1 Y -0.496049 -0.031019 -0.786714 -0.642338 -0.264008 9 C 1 Z -0.186687 -0.187930 -0.178547 0.084498 0.053814 10 C 1 XX -0.051308 -0.041038 0.062612 0.037391 -0.038311 11 C 1 YY 0.007593 0.021362 -0.026308 -0.004438 0.032474 12 C 1 ZZ 0.043715 0.019676 -0.036304 -0.032952 0.005837 13 C 1 XY 0.007633 -0.024374 0.013933 0.005258 0.008442 14 C 1 XZ 0.006798 0.025581 0.074907 -0.001434 -0.103678 15 C 1 YZ 0.032346 0.010042 -0.011914 0.000006 0.047517 16 C 2 S -0.052873 0.066276 -0.071773 0.012118 0.093033 17 C 2 S -0.104944 0.166356 -0.190763 0.016231 0.221332 18 C 2 S 1.208825 0.046561 -0.727568 -0.422899 0.385925 19 C 2 X 0.166322 -0.066318 0.096511 0.066440 -0.075153 20 C 2 Y 0.145834 0.097605 -0.229811 -0.028199 0.078493 21 C 2 Z -0.079874 -0.042989 -0.029812 -0.023185 -0.054955 22 C 2 X 0.617821 1.162149 -1.998440 -0.711391 0.999686 23 C 2 Y -1.130194 -0.736108 1.005744 0.038593 -0.508637 24 C 2 Z -0.177925 -0.045105 0.195636 -0.063815 -0.049358 25 C 2 XX 0.049036 0.071285 -0.093031 0.000425 0.087512 26 C 2 YY -0.022542 -0.054196 0.066999 0.013068 -0.013633 27 C 2 ZZ -0.026493 -0.017089 0.026032 -0.013493 -0.073879 28 C 2 XY 0.005971 0.019112 -0.052538 -0.032449 -0.015278 29 C 2 XZ 0.024754 -0.032722 -0.092550 -0.000862 0.083985 30 C 2 YZ 0.081797 0.047927 0.037894 0.023039 0.011525 31 C 3 S 0.112563 -0.055862 0.096617 0.038701 0.028756 32 C 3 S 0.264207 -0.124988 0.179328 0.063483 0.059223 33 C 3 S -1.671302 0.763482 -2.693862 -1.834129 -0.461281 34 C 3 X -0.002890 0.062807 0.000535 -0.012994 0.047505 35 C 3 Y 0.117079 0.120479 -0.188090 -0.022213 0.111930 36 C 3 Z -0.139375 0.091553 0.093021 -0.089668 -0.073178 37 C 3 X 0.404207 -0.509472 2.410102 1.452588 0.124428 38 C 3 Y -1.577754 -1.038279 0.143830 -0.680461 -0.519867 39 C 3 Z 0.518394 0.159641 0.148764 0.401586 -0.083590 40 C 3 XX -0.033606 -0.050124 0.102310 0.005466 -0.049878 41 C 3 YY 0.079806 0.062035 -0.084959 -0.048787 0.086137 42 C 3 ZZ -0.046200 -0.011911 -0.017351 0.043320 -0.036259 43 C 3 XY 0.016314 -0.016299 0.017114 -0.015569 -0.028699 44 C 3 XZ -0.026632 -0.050767 -0.060274 0.016594 0.010345 45 C 3 YZ -0.069323 -0.060772 -0.090417 -0.003682 0.034321 46 C 4 S 0.052556 0.000981 0.021851 0.007074 -0.054236 47 C 4 S 0.134948 -0.027540 0.060738 0.023145 -0.125996 48 C 4 S 0.257414 0.305638 -0.337729 0.066287 0.311246 49 C 4 X 0.235429 -0.059871 -0.040918 0.034558 0.056193 50 C 4 Y -0.036052 0.055121 0.073664 0.041854 0.105379 51 C 4 Z 0.000156 0.206429 0.075293 0.084641 0.016557 52 C 4 X -0.935368 -0.269363 0.399108 -0.221083 -0.403812 53 C 4 Y -0.331328 0.097491 0.637667 0.372694 -0.160130 54 C 4 Z -0.423535 -0.561025 -0.525634 -0.590129 0.365946 55 C 4 XX -0.010077 -0.006896 -0.021743 -0.045219 -0.005412 56 C 4 YY 0.039697 0.006471 0.025724 0.013135 0.005469 57 C 4 ZZ -0.029620 0.000425 -0.003982 0.032085 -0.000058 58 C 4 XY 0.007893 -0.014295 -0.074996 -0.003911 0.025057 59 C 4 XZ 0.097232 0.086287 0.104900 -0.019275 0.020678 60 C 4 YZ 0.058792 0.015511 0.008681 -0.034031 0.012355 61 S 5 S 0.017262 0.004466 -0.008386 -0.008142 -0.006001 62 S 5 S 0.124969 0.034487 -0.061733 -0.056556 -0.043760 63 S 5 S 0.171143 0.063596 -0.089750 -0.063026 -0.059056 64 S 5 S -0.514728 -0.118827 0.411911 0.469815 0.082111 65 S 5 X 0.018934 0.005321 -0.026456 -0.014249 0.007549 66 S 5 Y -0.023382 0.019656 0.017627 0.030362 0.002821 67 S 5 Z 0.014924 -0.024904 -0.047752 0.029025 -0.001046 68 S 5 X 0.065232 0.005003 -0.105733 -0.058174 0.023541 69 S 5 Y -0.090442 0.103133 0.074319 0.152386 0.021044 70 S 5 Z 0.060714 -0.109001 -0.211303 0.134247 0.001737 71 S 5 X -0.239632 -0.143237 0.163224 -0.103472 -0.191066 72 S 5 Y 1.043634 0.032470 -0.584112 -0.381598 0.222783 73 S 5 Z -0.011456 0.302684 0.454686 -0.114107 0.009542 74 S 5 XX 0.295711 0.180169 -0.240349 -0.048180 0.176495 75 S 5 YY -0.299522 -0.186409 0.170034 0.046591 -0.101741 76 S 5 ZZ 0.003811 0.006240 0.070315 0.001590 -0.074754 77 S 5 XY 0.124317 -0.012634 0.190864 0.115932 0.032211 78 S 5 XZ 0.096730 -0.160548 -0.238410 -0.022346 0.028019 79 S 5 YZ -0.021843 0.111859 0.130445 0.045501 0.051400 80 S 5 XX 0.036255 0.023979 -0.032135 -0.006613 0.023608 81 S 5 YY -0.034402 -0.024679 0.023973 0.005528 -0.013232 82 S 5 ZZ -0.001852 0.000700 0.008162 0.001085 -0.010376 83 S 5 XY 0.023730 -0.003628 0.023615 0.013964 0.005077 84 S 5 XZ 0.015778 -0.020166 -0.031991 -0.000939 0.003940 85 S 5 YZ -0.005074 0.014783 0.018779 0.004793 0.006434 86 H 6 S -0.098474 0.025970 -0.186161 -0.126171 -0.017618 87 H 6 S -0.450412 0.136888 -0.092041 -0.138570 0.166442 88 H 6 X -0.039830 0.015872 0.003074 -0.011122 0.019381 89 H 6 Y -0.054726 -0.006188 0.036628 0.026259 0.011105 90 H 6 Z -0.059394 -0.009539 0.022293 -0.017808 -0.043607 91 C 7 S 0.133740 -0.060179 -0.063638 -0.126805 -0.151309 92 C 7 S 0.284589 -0.138052 -0.087436 -0.236325 -0.280832 93 C 7 S 0.211844 0.346896 2.698920 2.877631 0.315130 94 C 7 X 0.098570 -0.073439 -0.106019 0.095898 -0.131041 95 C 7 Y 0.220132 -0.276264 0.123313 0.023908 0.010435 96 C 7 Z 0.116076 -0.122046 -0.029750 0.028139 0.058882 97 C 7 X -1.600869 0.185893 0.018515 -0.969708 1.333645 98 C 7 Y -1.251180 0.438018 -2.078341 0.073290 1.058465 99 C 7 Z -0.255455 0.093511 0.088759 0.202227 -0.181517 100 C 7 XX 0.017198 0.026073 0.020914 0.057990 -0.034983 101 C 7 YY 0.031432 0.013893 0.012409 -0.081262 -0.095628 102 C 7 ZZ -0.048630 -0.039966 -0.033322 0.023273 0.130611 103 C 7 XY 0.089792 -0.011624 -0.028779 0.044409 -0.001804 104 C 7 XZ 0.056595 0.052174 0.018135 0.047250 -0.015102 105 C 7 YZ 0.017574 0.012964 -0.006029 -0.003898 0.032280 106 C 8 S -0.104674 -0.158699 -0.025436 0.015990 -0.014801 107 C 8 S -0.207108 -0.370971 -0.043459 0.016599 -0.092547 108 C 8 S 1.114557 0.947088 -0.346311 0.236569 -0.551155 109 C 8 X -0.085395 0.059557 0.050774 0.088305 0.158876 110 C 8 Y -0.056210 0.172465 -0.130182 0.017167 -0.160284 111 C 8 Z -0.009556 -0.018897 -0.075304 -0.011336 -0.033481 112 C 8 X 0.087527 0.515778 -0.589224 0.323947 0.268487 113 C 8 Y -0.271942 -0.874816 1.015802 -1.049676 2.098955 114 C 8 Z -0.016167 -0.036807 0.166663 -0.133160 0.251840 115 C 8 XX -0.015883 -0.040812 0.006974 0.043397 0.043655 116 C 8 YY 0.006426 0.009841 -0.025177 -0.004153 -0.021461 117 C 8 ZZ 0.009457 0.030970 0.018202 -0.039244 -0.022194 118 C 8 XY -0.002272 -0.018104 0.039288 -0.033403 0.011014 119 C 8 XZ 0.004450 -0.012060 0.038322 0.010689 0.002953 120 C 8 YZ -0.014359 -0.044953 -0.055465 -0.026546 -0.021565 121 C 9 S 0.012139 -0.019490 0.076332 0.039488 0.028214 122 C 9 S 0.050435 -0.046127 0.139179 0.046331 0.043737 123 C 9 S 0.424297 -0.882442 -1.385307 -1.197233 -0.913529 124 C 9 X 0.105934 0.023084 -0.064442 0.044148 -0.107940 125 C 9 Y -0.037741 0.025752 0.153460 -0.168402 -0.002179 126 C 9 Z -0.167278 0.153580 0.050374 -0.007285 0.038825 127 C 9 X -0.577994 -0.490956 1.268550 -0.336278 -0.013890 128 C 9 Y 0.916011 -0.650054 0.291108 0.235049 -0.718565 129 C 9 Z 0.933442 -0.693631 -0.525421 -0.086446 -0.134983 130 C 9 XX 0.007941 -0.035084 -0.008318 -0.063499 -0.012245 131 C 9 YY -0.007342 -0.003212 -0.002783 0.032593 0.025639 132 C 9 ZZ -0.000599 0.038296 0.011100 0.030906 -0.013394 133 C 9 XY -0.007393 -0.036708 0.099116 -0.054192 0.020479 134 C 9 XZ -0.043942 -0.120568 -0.060876 -0.002381 0.078747 135 C 9 YZ 0.014022 0.005701 -0.009566 0.012237 -0.006172 136 C 10 S -0.044921 -0.031271 -0.111811 -0.110091 -0.161226 137 C 10 S -0.089006 -0.087674 -0.273088 -0.200579 -0.339879 138 C 10 S -0.421614 -0.190756 -0.436279 0.687907 2.673406 139 C 10 X 0.068046 -0.002453 -0.043787 0.168695 0.025219 140 C 10 Y 0.150965 -0.206091 0.030229 0.259909 -0.129311 141 C 10 Z -0.066398 -0.259164 -0.063800 -0.025104 -0.018158 142 C 10 X -1.972040 -0.448747 -2.211250 -2.227266 0.527053 143 C 10 Y -1.104172 1.108673 -0.398163 -2.205516 -0.105639 144 C 10 Z 0.671698 1.044530 0.329776 0.217080 -0.260975 145 C 10 XX -0.046181 0.035871 -0.093468 -0.063010 -0.047852 146 C 10 YY 0.030377 -0.060597 0.025945 -0.035457 0.043339 147 C 10 ZZ 0.015804 0.024726 0.067524 0.098468 0.004513 148 C 10 XY -0.043799 0.020205 -0.005329 -0.032959 0.065823 149 C 10 XZ -0.034887 -0.100223 0.003628 -0.007010 0.060913 150 C 10 YZ -0.032010 0.001278 -0.016531 0.002473 0.029067 151 C 11 S 0.020351 -0.133952 0.144222 0.071566 0.079572 152 C 11 S 0.027798 -0.294193 0.367388 0.171666 0.153760 153 C 11 S 0.128026 0.713786 1.573985 -0.155832 -0.666872 154 C 11 X -0.233909 0.069156 0.176757 0.006434 -0.019631 155 C 11 Y 0.031337 0.028698 -0.036887 -0.063876 0.157545 156 C 11 Z 0.174211 0.165922 0.001510 0.108382 -0.094372 157 C 11 X 2.008356 0.214059 1.889154 1.978884 0.450919 158 C 11 Y -0.446948 0.967283 -0.955188 -1.099709 -1.199540 159 C 11 Z -0.654447 -0.698994 0.060977 -0.244328 0.340003 160 C 11 XX 0.094725 -0.063618 0.050730 0.073127 0.034901 161 C 11 YY -0.060685 0.037472 0.006686 -0.095957 -0.013862 162 C 11 ZZ -0.034039 0.026145 -0.057416 0.022830 -0.021039 163 C 11 XY -0.000624 -0.004387 0.020128 0.021690 -0.010512 164 C 11 XZ -0.051602 -0.047793 0.010957 -0.000426 0.058729 165 C 11 YZ 0.004917 -0.045462 -0.005081 0.024701 0.016863 166 C 12 S 0.026792 -0.075162 -0.055072 0.083113 -0.037934 167 C 12 S 0.056642 -0.155974 -0.118067 0.187808 -0.058882 168 C 12 S -0.758630 0.255178 -0.810668 -1.082001 -0.022992 169 C 12 X -0.003017 0.024009 -0.118272 -0.027480 0.001468 170 C 12 Y 0.058750 0.047984 0.058740 0.032286 -0.058366 171 C 12 Z -0.029825 0.087535 0.037867 -0.013990 0.080448 172 C 12 X -0.571432 -0.910826 -0.305081 -0.431500 0.097548 173 C 12 Y -0.130703 -0.240198 0.059235 0.413696 0.087673 174 C 12 Z -0.044623 -1.131189 0.065770 0.229827 0.288858 175 C 12 XX 0.009269 -0.038275 -0.046232 -0.078403 -0.083177 176 C 12 YY -0.027372 0.055717 -0.013756 -0.018067 -0.030794 177 C 12 ZZ 0.018103 -0.017442 0.059988 0.096470 0.113971 178 C 12 XY 0.022252 -0.007685 -0.001366 -0.000096 0.016559 179 C 12 XZ 0.048139 0.071929 0.023655 0.058369 -0.006126 180 C 12 YZ -0.002246 -0.021029 0.003665 0.044988 0.040576 181 C 13 S 0.079010 -0.002427 -0.000803 0.091728 -0.110185 182 C 13 S 0.163490 -0.022731 0.001833 0.191638 -0.227393 183 C 13 S -0.478302 -0.562715 -0.241028 -0.120368 0.811497 184 C 13 X 0.060343 -0.058255 -0.026131 -0.013494 -0.014384 185 C 13 Y -0.016288 0.063862 0.030884 0.023910 0.018294 186 C 13 Z 0.053060 -0.026262 -0.017750 0.120442 -0.048496 187 C 13 X -0.061631 0.046263 0.044410 -0.151145 0.152781 188 C 13 Y -0.185216 -1.020569 -0.000594 -0.146329 -0.066878 189 C 13 Z -0.170988 0.154971 -0.037725 0.013698 0.121896 190 C 13 XX -0.019569 -0.025534 -0.018976 0.074040 0.005367 191 C 13 YY 0.042361 0.034986 -0.002588 0.012575 0.003839 192 C 13 ZZ -0.022792 -0.009451 0.021564 -0.086615 -0.009206 193 C 13 XY -0.003064 -0.036475 0.040072 0.059922 0.038720 194 C 13 XZ -0.003188 -0.024385 0.006817 0.018761 0.009327 195 C 13 YZ -0.027614 -0.021698 -0.046623 -0.081276 -0.076886 196 C 14 S 0.001484 -0.105708 0.079683 0.135315 0.010780 197 C 14 S -0.022155 -0.218588 0.183126 0.279703 0.010190 198 C 14 S 0.815937 0.191156 0.294852 0.209053 -0.292054 199 C 14 X -0.009532 -0.047795 0.175767 0.111455 -0.048827 200 C 14 Y 0.045471 -0.012561 -0.057441 0.046979 0.111723 201 C 14 Z -0.041272 0.000936 -0.005724 -0.073432 0.005673 202 C 14 X 0.302068 0.682899 -0.209233 0.090689 0.247955 203 C 14 Y 0.045051 -0.065201 0.409486 0.137262 -0.032741 204 C 14 Z 0.250172 0.370101 -0.196606 0.034075 -0.166221 205 C 14 XX 0.032697 -0.020351 0.018305 0.039573 0.050202 206 C 14 YY 0.024822 -0.053432 0.019396 0.042657 -0.002889 207 C 14 ZZ -0.057518 0.073783 -0.037701 -0.082230 -0.047314 208 C 14 XY 0.038415 -0.038914 0.013092 0.032749 -0.010502 209 C 14 XZ 0.009790 -0.000205 -0.024372 -0.017714 -0.045523 210 C 14 YZ -0.009386 0.009179 0.051210 0.026135 0.028204 211 F 15 S -0.001546 -0.008853 -0.011171 -0.002394 -0.011225 212 F 15 S -0.003410 0.012725 -0.044747 -0.025727 -0.062850 213 F 15 S 0.020066 0.305802 -0.038338 -0.085286 -0.153896 214 F 15 X -0.046111 -0.056332 -0.056304 -0.033676 -0.009172 215 F 15 Y 0.013111 0.057213 0.007781 -0.068053 -0.021714 216 F 15 Z -0.023905 0.062460 -0.014264 -0.021734 -0.022827 217 F 15 X 0.028508 0.119515 -0.013096 -0.023903 -0.063715 218 F 15 Y 0.027070 -0.040079 0.015625 0.034402 0.030533 219 F 15 Z -0.003240 -0.121449 0.057075 0.078915 0.153979 220 F 15 XX 0.005214 0.004072 0.004065 0.003762 0.003058 221 F 15 YY -0.003684 -0.005227 -0.000583 -0.002257 0.000640 222 F 15 ZZ -0.001530 0.001154 -0.003482 -0.001504 -0.003698 223 F 15 XY -0.005143 -0.002991 -0.002964 -0.006822 0.001606 224 F 15 XZ -0.001858 -0.003598 -0.002180 -0.005829 -0.003304 225 F 15 YZ 0.000095 0.000644 -0.000205 -0.004966 0.000762 226 F 16 S -0.005529 0.002003 -0.004213 0.010060 0.004172 227 F 16 S -0.004163 -0.031595 -0.010611 0.034179 0.024445 228 F 16 S 0.094838 -0.285079 0.025808 0.017468 0.059357 229 F 16 X -0.001481 0.030406 0.007470 0.082824 0.014021 230 F 16 Y 0.006632 0.001112 0.008253 0.015412 0.046518 231 F 16 Z 0.009339 0.080726 0.015943 -0.068068 -0.002436 232 F 16 X 0.066747 -0.016193 -0.002031 0.000172 -0.014311 233 F 16 Y -0.012752 0.160460 -0.004293 -0.041580 -0.106542 234 F 16 Z 0.022362 -0.026739 -0.004789 0.024176 0.011165 235 F 16 XX -0.001563 0.004842 -0.002157 -0.008424 -0.000369 236 F 16 YY 0.005404 -0.003649 0.001931 0.005698 -0.001634 237 F 16 ZZ -0.003841 -0.001193 0.000226 0.002726 0.002003 238 F 16 XY 0.000858 0.001459 -0.000672 -0.003323 -0.003808 239 F 16 XZ -0.000754 -0.002963 -0.000838 -0.000240 0.000284 240 F 16 YZ -0.002955 0.003943 0.001077 -0.004147 0.004146 241 F 17 S 0.002960 -0.008104 -0.000948 0.004783 -0.000034 242 F 17 S 0.008539 -0.017591 -0.005421 0.013856 -0.000656 243 F 17 S -0.006261 0.057827 0.018533 0.025812 -0.013183 244 F 17 X -0.006821 -0.033822 -0.016448 -0.018727 -0.039570 245 F 17 Y 0.006662 -0.063850 0.020144 0.050764 0.004784 246 F 17 Z -0.019917 0.040889 -0.000654 -0.056311 0.022276 247 F 17 X -0.000006 -0.040256 0.039700 0.018094 -0.021621 248 F 17 Y 0.015139 0.053082 -0.076723 -0.040344 0.010209 249 F 17 Z -0.020033 -0.016689 0.005560 0.022024 0.013979 250 F 17 XX 0.001710 0.002179 0.000220 -0.000002 0.004923 251 F 17 YY -0.004814 0.001899 0.001035 -0.002417 -0.002140 252 F 17 ZZ 0.003104 -0.004078 -0.001255 0.002419 -0.002784 253 F 17 XY -0.000517 0.003716 -0.001619 -0.000871 0.000716 254 F 17 XZ -0.001551 0.001808 0.001108 0.000800 0.002463 255 F 17 YZ -0.000145 -0.004848 0.004824 0.006206 -0.002952 256 F 18 S 0.013862 -0.002199 0.013135 0.015863 -0.007289 257 F 18 S 0.040878 -0.020705 0.057232 0.063785 -0.005194 258 F 18 S -0.074200 -0.109690 0.108456 0.068645 0.127192 259 F 18 X 0.033192 -0.009684 0.078260 0.053425 -0.011999 260 F 18 Y 0.056671 -0.023131 -0.038475 0.045009 -0.027812 261 F 18 Z 0.008150 -0.021835 0.040549 0.045134 0.009083 262 F 18 X 0.004474 -0.049273 0.022750 0.031581 0.006983 263 F 18 Y 0.014826 -0.029379 0.023589 0.020088 0.044789 264 F 18 Z -0.015342 0.040457 -0.084353 -0.104614 -0.068265 265 F 18 XX -0.001476 0.003537 -0.004842 -0.003578 0.001453 266 F 18 YY -0.001568 0.003937 -0.000386 -0.002665 0.000143 267 F 18 ZZ 0.003044 -0.007475 0.005228 0.006243 -0.001595 268 F 18 XY -0.004468 -0.002081 -0.001185 -0.003898 -0.005013 269 F 18 XZ 0.001788 -0.000372 -0.000560 0.000541 0.002236 270 F 18 YZ 0.003774 -0.001352 -0.004158 -0.000027 -0.003864 271 C 19 S 0.007395 -0.047109 -0.002029 -0.001643 -0.136953 272 C 19 S 0.029658 -0.108207 -0.002905 0.011215 -0.313792 273 C 19 S -0.156432 0.333644 -0.281182 0.520834 -0.440477 274 C 19 X 0.072088 -0.055339 0.109420 -0.250104 0.145187 275 C 19 Y -0.040088 0.016550 -0.053756 0.016716 0.086836 276 C 19 Z -0.028381 0.040125 0.042468 0.044425 0.066943 277 C 19 X -0.255074 -0.091224 0.033607 0.235969 0.409800 278 C 19 Y 0.214946 0.017639 0.253687 -0.332140 0.493139 279 C 19 Z 0.096715 -0.099131 -0.089753 -0.173210 -0.072327 280 C 19 XX -0.016617 0.001636 -0.012429 -0.002382 0.006312 281 C 19 YY -0.003899 -0.019567 -0.027712 0.051477 -0.063676 282 C 19 ZZ 0.020515 0.017931 0.040141 -0.049094 0.057364 283 C 19 XY -0.035099 -0.005920 -0.001800 -0.046504 -0.009627 284 C 19 XZ -0.011871 0.049792 0.039954 0.038806 0.035229 285 C 19 YZ -0.002512 0.009489 0.001037 0.018176 -0.007445 286 H 20 S -0.009498 0.037282 -0.016057 -0.004468 -0.125851 287 H 20 S 0.262157 -0.007032 0.094572 -0.291887 -0.099474 288 H 20 X -0.034400 0.033419 -0.033899 0.060778 -0.008762 289 H 20 Y -0.007322 0.005256 0.032037 -0.050196 0.051088 290 H 20 Z -0.002134 0.023594 0.014877 0.009650 0.017627 291 H 21 S -0.052964 0.010545 -0.042142 0.012299 -0.065676 292 H 21 S 0.003896 -0.124056 -0.143593 0.030998 -0.311976 293 H 21 X -0.006798 -0.020668 -0.031638 -0.001722 -0.037643 294 H 21 Y 0.003671 -0.002467 -0.016696 0.007732 -0.044439 295 H 21 Z 0.012818 -0.013819 -0.029858 0.017943 -0.057902 296 C 22 S -0.032391 -0.034489 -0.042800 -0.050405 -0.040808 297 C 22 S -0.077912 -0.088904 -0.082411 -0.104307 -0.096733 298 C 22 S -0.884412 0.036943 -0.165653 -0.060788 -0.094596 299 C 22 X -0.191039 -0.019868 0.065623 0.042271 -0.010726 300 C 22 Y -0.250032 -0.070972 0.068623 -0.011018 -0.073449 301 C 22 Z -0.019442 -0.028398 -0.078231 -0.017822 0.070889 302 C 22 X 0.589706 -0.048631 0.167022 0.030786 -0.015289 303 C 22 Y -0.335389 -0.150647 -0.255379 -0.192570 -0.199015 304 C 22 Z 0.033002 0.102456 0.250798 -0.018925 -0.220173 305 C 22 XX -0.033764 -0.032600 0.007160 -0.001980 -0.008233 306 C 22 YY -0.044027 0.021609 -0.043004 -0.010823 0.016708 307 C 22 ZZ 0.077790 0.010991 0.035843 0.012804 -0.008475 308 C 22 XY 0.013740 -0.009484 0.061128 0.026147 -0.002348 309 C 22 XZ 0.006367 0.008890 0.035724 -0.000078 -0.027720 310 C 22 YZ -0.033179 0.013003 0.063926 0.010555 -0.104622 311 H 23 S -0.045664 -0.028684 -0.040486 -0.084352 -0.035064 312 H 23 S 0.314696 -0.124926 -0.032115 -0.070695 -0.120730 313 H 23 X 0.095241 0.016989 -0.021663 -0.011749 0.012265 314 H 23 Y 0.041129 0.000790 -0.023117 -0.000203 0.003421 315 H 23 Z 0.015277 0.000871 -0.024811 -0.005610 0.040517 316 H 24 S -0.092519 -0.005789 -0.024124 -0.026468 -0.007680 317 H 24 S -0.265504 -0.103569 -0.244890 -0.040469 0.061633 318 H 24 X -0.008322 0.001655 -0.006644 -0.012225 -0.011685 319 H 24 Y 0.031730 0.007830 0.042355 0.008197 -0.038628 320 H 24 Z 0.040838 0.021385 0.017207 0.008677 -0.006694 321 H 25 S -0.082077 0.000136 -0.006085 -0.025544 -0.031972 322 H 25 S -0.176734 0.025523 0.091041 -0.052573 -0.146881 323 H 25 X -0.008468 -0.007401 -0.030704 -0.011893 0.011114 324 H 25 Y 0.062984 -0.000568 -0.025713 -0.005350 0.054988 325 H 25 Z -0.031339 -0.014061 0.014362 0.002243 -0.023675 326 C 26 S 0.036100 -0.053615 -0.001874 -0.110068 -0.038055 327 C 26 S 0.064817 -0.112850 -0.004313 -0.231197 -0.070414 328 C 26 S 0.315167 -0.061419 -0.231316 0.716322 0.053745 329 C 26 X -0.017182 0.059317 -0.087842 -0.064480 -0.010346 330 C 26 Y 0.028594 0.124455 -0.026537 0.018291 0.044702 331 C 26 Z 0.008356 -0.025340 -0.094683 0.001069 -0.092857 332 C 26 X 0.193328 -0.529487 -0.053231 0.212454 0.341553 333 C 26 Y -0.271458 -0.210052 -0.004656 0.008370 0.045462 334 C 26 Z 0.345337 -0.326585 0.192986 0.007113 0.201378 335 C 26 XX -0.036274 0.060297 0.028747 -0.016758 -0.006299 336 C 26 YY -0.007068 -0.026974 -0.017603 0.009945 0.006222 337 C 26 ZZ 0.043342 -0.033323 -0.011144 0.006812 0.000078 338 C 26 XY -0.002884 -0.017786 -0.023838 0.004948 0.027907 339 C 26 XZ 0.061725 0.147605 0.045520 -0.044803 -0.089044 340 C 26 YZ 0.023512 0.012324 -0.017615 0.012519 -0.011960 341 H 27 S -0.000030 -0.140023 -0.125038 -0.026146 0.022834 342 H 27 S 0.057281 -0.475402 0.173766 -0.036438 0.253346 343 H 27 X -0.010856 -0.051860 0.030321 -0.003085 0.032574 344 H 27 Y 0.005613 0.001808 0.038122 -0.005422 -0.032912 345 H 27 Z -0.028012 -0.031314 -0.007506 0.003079 0.002828 346 H 28 S 0.164626 -0.148250 -0.014909 -0.151235 -0.073394 347 H 28 S 0.144726 0.037143 0.090285 0.002531 0.144153 348 H 28 X -0.009786 -0.078376 -0.034197 0.026015 0.040702 349 H 28 Y -0.001177 -0.044218 -0.031568 0.016027 -0.026901 350 H 28 Z -0.013390 0.023205 -0.021521 0.020180 -0.002893 351 H 29 S 0.015060 0.080262 -0.039699 -0.041212 -0.194579 352 H 29 S -0.084043 0.148675 0.154379 -0.281739 -0.082475 353 H 29 X -0.011976 0.010448 0.010703 0.016654 0.003837 354 H 29 Y -0.047232 -0.001775 0.003333 -0.007154 0.032630 355 H 29 Z 0.013893 0.053631 0.031065 -0.051451 -0.006034 356 C 30 S 0.131932 -0.075269 0.027982 -0.094043 -0.042460 357 C 30 S 0.273531 -0.170203 0.055073 -0.210596 -0.099103 358 C 30 S -0.565331 0.912964 0.153622 0.820045 0.085972 359 C 30 X -0.040449 0.004892 0.040975 0.022606 0.026593 360 C 30 Y -0.081560 0.090805 -0.113275 0.110911 0.045266 361 C 30 Z 0.064510 -0.153446 -0.025728 -0.066495 -0.023036 362 C 30 X 0.274596 -0.186469 -0.411900 0.141674 -0.021010 363 C 30 Y 0.108115 -0.240939 0.154556 -0.416485 -0.040738 364 C 30 Z -0.331086 0.169819 -0.091561 0.069627 0.308242 365 C 30 XX -0.000919 0.005810 -0.016969 0.009119 0.013900 366 C 30 YY -0.041709 -0.044721 -0.021786 -0.023911 -0.005629 367 C 30 ZZ 0.042628 0.038911 0.038755 0.014792 -0.008270 368 C 30 XY 0.028908 0.015424 0.014231 -0.042892 -0.017522 369 C 30 XZ -0.068149 -0.073013 -0.066682 0.038595 -0.006539 370 C 30 YZ -0.043406 -0.022249 0.009006 -0.010774 -0.007950 371 H 31 S 0.043228 0.023210 0.037861 -0.076131 -0.039493 372 H 31 S 0.260346 -0.318179 0.139533 -0.326574 -0.145588 373 H 31 X -0.041326 -0.035966 -0.069517 0.032985 0.015260 374 H 31 Y 0.047503 -0.038492 0.025720 -0.033615 -0.022091 375 H 31 Z 0.001502 0.062295 0.000098 0.042085 0.001647 376 H 32 S 0.047525 0.056336 -0.072177 0.133268 0.048976 377 H 32 S 0.359661 -0.386314 -0.263169 -0.108653 -0.229279 378 H 32 X 0.001095 -0.052841 -0.030976 -0.034689 -0.020158 379 H 32 Y -0.047277 -0.011560 0.002747 0.004476 0.006439 380 H 32 Z 0.013290 0.033499 0.013435 -0.011273 -0.014388 381 H 33 S 0.071152 0.114165 0.156777 -0.018806 0.016566 382 H 33 S 0.022319 -0.074011 0.078564 -0.080284 -0.076030 383 H 33 X 0.005473 0.027507 -0.000677 0.019268 0.004327 384 H 33 Y -0.004890 0.006685 0.025521 -0.030432 -0.001599 385 H 33 Z -0.027210 -0.026161 -0.001404 0.028088 0.001120 386 H 34 S -0.059653 0.006023 -0.034570 0.038245 -0.047609 387 H 34 S -0.116781 -0.002493 -0.017899 0.200891 -0.139400 388 H 34 X -0.017003 0.024983 -0.002919 0.039495 -0.004004 389 H 34 Y 0.002446 0.006082 -0.016003 0.029875 -0.039759 390 H 34 Z -0.001669 -0.001308 0.007789 -0.038684 0.023373 391 F 35 S -0.000753 -0.001526 -0.003072 -0.000876 0.000759 392 F 35 S 0.007404 0.001934 -0.005260 -0.020058 -0.006366 393 F 35 S 0.072162 0.045112 0.041755 -0.084880 -0.080093 394 F 35 X -0.009076 -0.027212 -0.017141 0.025716 0.015986 395 F 35 Y 0.006489 0.028821 0.048398 0.049513 0.017614 396 F 35 Z 0.011858 -0.033959 -0.005747 0.041184 -0.024756 397 F 35 X 0.052045 0.032977 0.016526 -0.099306 -0.051577 398 F 35 Y 0.008945 0.051864 -0.007749 -0.006853 -0.001141 399 F 35 Z -0.014668 -0.020877 -0.007163 0.016520 0.024740 400 F 35 XX 0.002257 0.001762 0.001670 0.002073 -0.003795 401 F 35 YY -0.000222 0.001485 -0.000670 -0.001848 0.000819 402 F 35 ZZ -0.002035 -0.003248 -0.001000 -0.000225 0.002975 403 F 35 XY -0.001318 0.000754 -0.004013 -0.005195 -0.003037 404 F 35 XZ -0.000563 0.000265 -0.000438 -0.004126 0.002104 405 F 35 YZ 0.000327 0.001350 0.000171 -0.000190 0.000888 406 F 36 S 0.004489 -0.011657 -0.002753 0.009923 -0.000194 407 F 36 S 0.018998 -0.014993 -0.013760 0.046432 -0.007091 408 F 36 S 0.024481 0.165129 -0.017840 0.081248 -0.059140 409 F 36 X 0.010174 -0.053769 -0.014828 0.033509 -0.001189 410 F 36 Y -0.011424 0.003326 -0.040147 -0.044574 -0.037213 411 F 36 Z 0.001097 -0.043761 -0.001456 -0.017044 0.006776 412 F 36 X -0.001321 0.007109 -0.007901 0.010276 0.002937 413 F 36 Y 0.001520 0.019723 0.041689 0.031888 0.036738 414 F 36 Z 0.043512 0.089598 -0.028919 0.120857 -0.046976 415 F 36 XX -0.000750 -0.003954 -0.000532 0.002107 -0.000117 416 F 36 YY -0.001093 0.004028 0.000465 -0.004428 0.000994 417 F 36 ZZ 0.001843 -0.000074 0.000067 0.002321 -0.000877 418 F 36 XY 0.001289 0.002064 0.003299 0.004708 0.002596 419 F 36 XZ 0.000766 0.003408 0.000975 -0.002610 -0.000795 420 F 36 YZ 0.001439 0.002664 0.002291 0.003785 0.004333 421 C 37 S -0.053470 -0.160146 0.011999 -0.030362 -0.017840 422 C 37 S -0.111218 -0.330353 0.011312 -0.073483 -0.008248 423 C 37 S -0.299045 0.311827 0.572099 -0.627343 2.183426 424 C 37 X -0.090235 0.095289 -0.070521 0.129956 -0.220421 425 C 37 Y 0.019631 0.119313 -0.035930 -0.059044 0.078290 426 C 37 Z 0.048914 0.026527 0.092560 -0.166183 -0.165549 427 C 37 X 0.615395 -0.642977 0.111919 -0.630516 -0.165691 428 C 37 Y -0.470762 -1.152823 0.998284 -0.806472 0.239320 429 C 37 Z -0.216084 -0.157191 0.159665 0.122949 0.272703 430 C 37 XX 0.001566 0.045088 0.008636 -0.009694 0.031242 431 C 37 YY -0.034013 -0.119685 0.005086 -0.027043 0.048191 432 C 37 ZZ 0.032447 0.074597 -0.013722 0.036737 -0.079433 433 C 37 XY 0.009446 0.070392 -0.027669 -0.002520 -0.001309 434 C 37 XZ -0.007518 -0.012429 0.021383 -0.009979 -0.020542 435 C 37 YZ 0.016521 0.027414 0.096043 0.032633 0.035438 436 S 38 S -0.022552 0.007853 0.012251 0.005387 0.019105 437 S 38 S -0.163119 0.056502 0.091413 0.035392 0.138909 438 S 38 S -0.225378 0.083904 0.138474 0.027052 0.197392 439 S 38 S 0.869332 -0.253130 0.211045 -0.316122 -0.700318 440 S 38 X 0.034613 -0.008148 0.001683 0.007991 -0.026711 441 S 38 Y -0.003931 0.007468 -0.030813 -0.015491 -0.003266 442 S 38 Z -0.005152 -0.000876 -0.001820 -0.009840 0.002405 443 S 38 X 0.148753 -0.012119 0.009806 0.029503 -0.108405 444 S 38 Y 0.014936 0.016243 -0.131796 -0.049814 -0.057514 445 S 38 Z -0.018472 -0.009067 -0.006918 -0.041817 0.005335 446 S 38 X -0.253563 0.248521 -0.400326 0.200961 0.205998 447 S 38 Y -0.570859 0.361439 -0.435501 0.769132 0.231260 448 S 38 Z 0.084422 -0.015357 -0.054506 0.089512 -0.019791 449 S 38 XX -0.140416 0.095636 -0.090120 0.340830 0.378746 450 S 38 YY 0.073693 0.044278 0.041406 -0.362215 -0.315042 451 S 38 ZZ 0.066722 -0.139914 0.048714 0.021386 -0.063705 452 S 38 XY -0.043518 0.060773 -0.197830 0.438724 -0.392579 453 S 38 XZ -0.039833 0.062123 0.001843 0.032067 -0.059271 454 S 38 YZ -0.087432 0.099607 0.031936 0.023053 0.011339 455 S 38 XX -0.013740 0.010215 -0.007342 0.046280 0.051716 456 S 38 YY 0.002285 0.011382 0.000483 -0.046148 -0.041497 457 S 38 ZZ 0.011455 -0.021598 0.006859 -0.000131 -0.010218 458 S 38 XY -0.003034 0.005570 -0.027038 0.062223 -0.053434 459 S 38 XZ -0.005817 0.008498 0.001254 0.004039 -0.007318 460 S 38 YZ -0.010877 0.013410 0.004129 0.003065 0.002720 461 H 39 S -0.013076 0.006325 0.025668 0.101257 -0.113259 462 H 39 S -0.477915 0.102540 -0.058589 0.365898 -0.168693 463 H 39 X 0.030443 0.010560 0.029811 -0.033353 0.059753 464 H 39 Y -0.006082 -0.014560 0.003776 -0.041222 -0.019998 465 H 39 Z -0.013192 -0.013885 0.006368 -0.002770 -0.015456 221 222 223 224 225 1.1258 1.1335 1.1415 1.1538 1.1648 A A A A A 1 C 1 S 0.015535 0.123878 -0.068881 0.125542 0.185307 2 C 1 S 0.030342 0.290239 -0.140477 0.194511 0.397172 3 C 1 S -0.290494 -1.342663 0.639356 -1.737325 -1.140386 4 C 1 X -0.017560 -0.022907 0.038156 -0.179516 -0.064378 5 C 1 Y -0.013425 -0.069754 0.034792 -0.220387 0.035430 6 C 1 Z 0.062572 0.117913 0.077271 -0.005662 0.101536 7 C 1 X 0.397247 0.740841 -0.429465 0.891196 0.622539 8 C 1 Y -0.394148 1.047036 -0.141468 -0.153941 -0.068066 9 C 1 Z -0.169692 -0.279714 -0.119137 -0.014160 -0.263907 10 C 1 XX -0.009649 -0.023023 0.029899 0.015553 0.023661 11 C 1 YY 0.015315 0.042727 -0.016552 0.055630 0.045000 12 C 1 ZZ -0.005667 -0.019704 -0.013347 -0.071183 -0.068661 13 C 1 XY 0.003247 -0.021962 -0.007302 0.011966 -0.016349 14 C 1 XZ 0.066652 0.168069 0.123007 -0.015679 0.113061 15 C 1 YZ -0.016341 -0.109623 -0.048187 -0.045233 -0.030016 16 C 2 S 0.078493 0.051587 0.007469 0.102091 0.064053 17 C 2 S 0.175946 0.092039 0.012039 0.241588 0.133372 18 C 2 S -0.152655 -0.930710 -0.019292 -0.197565 -0.766068 19 C 2 X -0.084773 -0.154508 -0.002011 -0.036309 0.020591 20 C 2 Y -0.001232 -0.002585 -0.040510 0.074985 0.054860 21 C 2 Z 0.040320 0.162584 0.028687 0.087287 -0.002648 22 C 2 X 0.316073 1.438984 -0.317589 0.626909 0.389475 23 C 2 Y -0.023961 -1.273950 0.519223 -0.811570 -1.143011 24 C 2 Z -0.144579 -0.272574 -0.084147 -0.200031 0.046553 25 C 2 XX 0.017487 0.062898 -0.047560 0.106131 0.084210 26 C 2 YY 0.019199 -0.094395 0.042492 -0.013898 -0.069304 27 C 2 ZZ -0.036686 0.031496 0.005068 -0.092234 -0.014906 28 C 2 XY -0.018991 0.015287 0.010042 -0.054946 0.008688 29 C 2 XZ -0.069288 -0.146228 -0.085427 -0.034903 -0.076085 30 C 2 YZ -0.000114 -0.084029 0.043047 -0.123322 0.076277 31 C 3 S -0.033708 -0.107962 0.001215 -0.078190 -0.094304 32 C 3 S -0.084194 -0.198774 0.010578 -0.201702 -0.228801 33 C 3 S -1.495127 1.935407 0.177753 -0.786386 0.125092 34 C 3 X -0.048557 0.018686 -0.041355 -0.146846 0.142756 35 C 3 Y -0.047662 0.157762 -0.094736 0.103256 0.106586 36 C 3 Z -0.087210 -0.082407 -0.179667 -0.035672 0.047956 37 C 3 X 1.493599 -0.616147 -0.281131 1.488942 0.324516 38 C 3 Y -0.450229 -1.684601 0.749278 -1.292245 -1.926051 39 C 3 Z 0.627841 0.273953 0.637468 0.077599 -0.373419 40 C 3 XX -0.067101 -0.049086 0.003749 -0.049117 -0.032598 41 C 3 YY 0.046479 0.026960 0.022104 0.050573 0.010481 42 C 3 ZZ 0.020622 0.022126 -0.025853 -0.001457 0.022117 43 C 3 XY 0.029585 0.008430 -0.000783 0.014418 -0.041878 44 C 3 XZ -0.032074 -0.045541 -0.031809 -0.082947 0.105040 45 C 3 YZ 0.036499 0.015524 -0.046798 0.112826 -0.096981 46 C 4 S -0.057123 0.082765 -0.016371 -0.014026 0.006240 47 C 4 S -0.140777 0.163528 -0.055162 -0.011433 0.041133 48 C 4 S -0.682216 0.173260 -0.620795 -0.459301 1.048102 49 C 4 X -0.020027 -0.061842 0.050564 -0.010029 0.118611 50 C 4 Y 0.057823 0.014248 -0.030334 0.089495 0.069286 51 C 4 Z 0.111066 -0.124363 0.042637 -0.094886 -0.114843 52 C 4 X -0.067407 -0.345790 -0.101112 0.064923 -0.399999 53 C 4 Y 0.394512 0.143390 -0.175297 -0.101668 0.041491 54 C 4 Z -0.625996 -0.101739 -0.007115 0.117390 0.225791 55 C 4 XX 0.023363 0.035466 0.018743 -0.005040 0.003636 56 C 4 YY -0.067856 -0.027736 -0.019108 -0.008045 0.016347 57 C 4 ZZ 0.044493 -0.007730 0.000365 0.013085 -0.019983 58 C 4 XY -0.042795 -0.018630 -0.033298 0.039381 0.053091 59 C 4 XZ 0.012477 0.004289 0.049361 -0.038836 -0.056486 60 C 4 YZ -0.036573 -0.041339 -0.010744 -0.011871 -0.038098 61 S 5 S -0.015087 0.004496 -0.010428 -0.034034 0.006928 62 S 5 S -0.110373 0.031094 -0.075633 -0.248762 0.053572 63 S 5 S -0.152703 0.031007 -0.102491 -0.340763 0.089161 64 S 5 S 0.332771 -0.376129 0.285766 0.487714 0.023700 65 S 5 X 0.010400 0.003310 0.002352 0.016999 -0.008618 66 S 5 Y -0.015928 -0.013365 -0.012399 0.041061 0.051957 67 S 5 Z 0.000733 0.017019 0.026224 0.014689 0.009536 68 S 5 X 0.041332 0.020733 0.010516 0.058538 -0.033612 69 S 5 Y -0.065974 -0.059751 -0.053598 0.157574 0.241386 70 S 5 Z 0.009762 0.075687 0.113953 0.067223 0.036114 71 S 5 X -0.207324 0.108757 -0.078959 -0.255014 -0.074230 72 S 5 Y 0.133987 0.535163 0.090848 -0.398003 -0.305691 73 S 5 Z 0.149097 -0.032136 -0.150776 -0.114988 -0.061822 74 S 5 XX 0.081469 -0.056971 0.025837 -0.006510 0.002435 75 S 5 YY -0.046266 0.024255 0.045232 0.186230 -0.060091 76 S 5 ZZ -0.035204 0.032716 -0.071069 -0.179719 0.057656 77 S 5 XY -0.018679 -0.253938 -0.086912 0.344985 0.095169 78 S 5 XZ -0.159835 -0.051345 0.038770 0.009654 0.064931 79 S 5 YZ 0.068879 -0.041452 -0.020347 -0.058847 -0.069215 80 S 5 XX 0.012098 -0.008918 0.004255 -0.001483 -0.000482 81 S 5 YY -0.005457 0.005550 0.005677 0.026433 -0.011199 82 S 5 ZZ -0.006641 0.003368 -0.009932 -0.024950 0.011681 83 S 5 XY -0.003581 -0.032190 -0.011268 0.048045 0.012087 84 S 5 XZ -0.020546 -0.006360 0.006171 0.001487 0.009531 85 S 5 YZ 0.009036 -0.005396 -0.003032 -0.008789 -0.008497 86 H 6 S 0.064443 0.115177 0.055512 -0.035499 -0.114238 87 H 6 S 0.141303 0.124302 0.062850 0.014709 -0.169395 88 H 6 X 0.038603 0.038227 0.012973 0.011150 0.009329 89 H 6 Y 0.003094 0.001736 -0.009325 0.021172 0.008917 90 H 6 Z 0.019004 0.087986 0.011366 0.055058 0.017517 91 C 7 S 0.059670 -0.009407 -0.078701 0.110464 0.028851 92 C 7 S 0.151821 0.026219 -0.210168 0.226808 0.078663 93 C 7 S 0.936328 1.148340 -1.442913 -0.064976 0.278033 94 C 7 X 0.077516 -0.020745 0.034219 0.039976 0.044149 95 C 7 Y -0.035412 0.090461 -0.072065 -0.058007 0.053974 96 C 7 Z 0.047899 0.098611 0.207599 0.013728 -0.160457 97 C 7 X -1.132764 -0.153990 0.953454 -0.175733 -0.911493 98 C 7 Y -0.112638 -1.019598 1.386604 -0.336213 0.038335 99 C 7 Z -0.136405 -0.209498 -1.153644 -0.135026 1.109694 100 C 7 XX 0.063731 -0.015068 -0.003528 -0.063842 0.016056 101 C 7 YY 0.006225 -0.006344 -0.013550 0.041770 0.000605 102 C 7 ZZ -0.069955 0.021413 0.017078 0.022072 -0.016661 103 C 7 XY 0.020675 0.026034 0.010357 -0.018384 0.063401 104 C 7 XZ 0.060832 0.061742 0.030985 -0.067718 -0.044614 105 C 7 YZ -0.014860 0.041584 -0.006628 0.042385 -0.061172 106 C 8 S 0.012466 -0.002047 0.127408 -0.091703 -0.201095 107 C 8 S 0.017799 -0.014879 0.268130 -0.136876 -0.437430 108 C 8 S -0.649632 -0.277066 -0.771427 1.232545 2.609616 109 C 8 X 0.149395 -0.001755 -0.048483 -0.159992 -0.110028 110 C 8 Y -0.044881 -0.065473 -0.028079 0.013637 0.047790 111 C 8 Z 0.170502 -0.005589 -0.099858 -0.032099 -0.004030 112 C 8 X -0.527292 0.128007 0.261004 -0.200888 0.952687 113 C 8 Y 0.034124 0.727145 0.567532 -0.554088 -1.166320 114 C 8 Z -0.424554 0.103810 0.304952 0.022416 -0.010491 115 C 8 XX 0.027131 0.014104 0.029696 -0.049195 -0.060053 116 C 8 YY -0.075877 -0.014439 0.059980 -0.016026 0.050974 117 C 8 ZZ 0.048746 0.000335 -0.089675 0.065221 0.009079 118 C 8 XY 0.033702 0.007175 0.002164 0.004309 -0.082154 119 C 8 XZ 0.000701 0.009860 -0.028344 -0.030199 -0.000242 120 C 8 YZ 0.217677 -0.017014 -0.158864 -0.061090 0.002985 121 C 9 S -0.032521 0.055117 -0.033860 0.047532 0.031343 122 C 9 S -0.084900 0.113489 -0.071406 0.095471 0.069531 123 C 9 S 0.335142 -0.490146 0.072491 -0.226257 -0.063078 124 C 9 X -0.017425 -0.051074 0.070556 0.105664 0.077530 125 C 9 Y 0.041784 -0.090270 -0.040096 0.124514 0.042275 126 C 9 Z -0.105314 -0.090216 -0.004407 -0.072900 0.036176 127 C 9 X 0.172919 0.109055 -0.265711 -0.180794 -1.127253 128 C 9 Y 0.343517 0.168512 -0.378200 -0.291275 0.236407 129 C 9 Z 0.415083 0.063047 0.601936 0.535601 -0.691412 130 C 9 XX -0.013042 -0.018363 0.024579 0.027758 -0.024666 131 C 9 YY 0.048704 -0.019715 -0.017415 -0.039195 0.025459 132 C 9 ZZ -0.035662 0.038077 -0.007164 0.011437 -0.000793 133 C 9 XY -0.036687 0.033305 0.051426 -0.042988 -0.073807 134 C 9 XZ -0.025050 -0.027622 -0.009304 0.056880 0.043500 135 C 9 YZ 0.074460 -0.016984 -0.021472 -0.047030 -0.026999 136 C 10 S 0.040550 -0.122041 0.125802 -0.077543 0.116192 137 C 10 S 0.084983 -0.271221 0.290661 -0.169709 0.242260 138 C 10 S -0.136560 -0.423370 0.756487 0.877665 -1.909713 139 C 10 X -0.007080 0.095804 -0.047527 -0.025448 0.008228 140 C 10 Y -0.052673 -0.065394 0.071228 0.020127 -0.043630 141 C 10 Z -0.093400 -0.013693 -0.242577 -0.135632 0.118026 142 C 10 X -1.208726 -1.706893 1.843356 -0.895764 -0.327678 143 C 10 Y -0.871476 0.472438 0.642089 -0.235803 -0.359982 144 C 10 Z 0.449174 0.504183 0.881975 0.406737 -0.817984 145 C 10 XX -0.013485 -0.068576 0.088185 -0.014822 -0.008462 146 C 10 YY 0.053961 -0.049320 0.014982 0.019431 0.037987 147 C 10 ZZ -0.040476 0.117896 -0.103167 -0.004609 -0.029525 148 C 10 XY -0.017639 -0.008465 -0.000671 0.019865 0.005380 149 C 10 XZ 0.036246 -0.095823 0.086867 0.030311 0.066741 150 C 10 YZ -0.132586 0.018046 -0.094309 0.107979 -0.132495 151 C 11 S 0.080346 -0.101294 0.041725 0.060600 0.013597 152 C 11 S 0.165029 -0.221039 0.079851 0.129401 0.050571 153 C 11 S 0.047657 0.393565 -0.747183 0.530705 0.942519 154 C 11 X -0.126394 0.018445 -0.072494 -0.102271 0.028946 155 C 11 Y 0.028274 0.072617 -0.057240 0.093296 -0.112163 156 C 11 Z 0.086289 0.179763 0.169585 -0.029635 -0.059399 157 C 11 X 2.439738 0.140825 -0.487396 2.170393 1.043698 158 C 11 Y -1.032063 1.127970 0.334441 -0.689748 0.260019 159 C 11 Z -0.542724 -0.663393 -0.918666 0.038103 0.619255 160 C 11 XX 0.008783 -0.029924 -0.024431 0.051704 0.016969 161 C 11 YY 0.037659 -0.052548 0.054692 -0.033782 0.031913 162 C 11 ZZ -0.046442 0.082472 -0.030260 -0.017922 -0.048882 163 C 11 XY -0.029708 0.044061 -0.041038 -0.028520 0.016645 164 C 11 XZ 0.070916 -0.042255 0.040977 0.139655 -0.131957 165 C 11 YZ 0.148064 -0.026299 0.102057 -0.051641 0.133435 166 C 12 S -0.082005 0.072095 -0.036472 -0.033420 -0.105486 167 C 12 S -0.151955 0.148815 -0.069696 -0.076036 -0.199138 168 C 12 S 0.189469 -0.980881 1.069329 -0.645295 0.911404 169 C 12 X -0.037156 -0.000329 0.009946 -0.033008 -0.053280 170 C 12 Y 0.047563 -0.075556 0.004403 0.033974 0.073193 171 C 12 Z 0.046412 -0.048166 -0.009544 0.114198 0.017019 172 C 12 X -0.415545 -0.735436 0.030951 -0.353178 0.447189 173 C 12 Y -0.249440 0.027740 0.000058 -0.148960 -0.252754 174 C 12 Z 0.233605 -0.305707 -0.407145 -0.018793 0.411340 175 C 12 XX -0.043090 -0.020860 -0.000976 0.016381 -0.055517 176 C 12 YY -0.021815 -0.042495 0.107925 -0.112828 0.107189 177 C 12 ZZ 0.064905 0.063355 -0.106950 0.096446 -0.051672 178 C 12 XY -0.000406 0.040322 -0.032748 0.010971 -0.020625 179 C 12 XZ -0.040972 0.164738 -0.117741 0.029100 -0.184131 180 C 12 YZ -0.002038 0.021259 -0.053486 0.029276 -0.027188 181 C 13 S -0.049474 0.127617 -0.063343 -0.207630 0.124517 182 C 13 S -0.092943 0.236251 -0.111179 -0.406646 0.248604 183 C 13 S 0.163683 -0.424190 0.241144 1.410450 -1.129438 184 C 13 X 0.041125 0.048518 -0.005817 -0.006475 -0.012927 185 C 13 Y 0.040605 0.006050 0.030465 0.016794 -0.012174 186 C 13 Z -0.109485 0.142641 -0.140372 -0.071304 -0.091859 187 C 13 X 0.305627 -0.387987 0.320931 0.411785 -0.173902 188 C 13 Y -0.380990 -0.648971 -0.245353 -0.526608 0.681036 189 C 13 Z -0.578965 0.299342 -0.436661 0.031830 -0.245823 190 C 13 XX -0.101886 0.053753 -0.051920 -0.049287 0.009085 191 C 13 YY -0.017860 0.118101 -0.105415 0.002228 -0.101588 192 C 13 ZZ 0.119746 -0.171854 0.157334 0.047059 0.092502 193 C 13 XY 0.010639 -0.008209 -0.005770 0.011213 -0.012634 194 C 13 XZ 0.056930 -0.036073 0.066780 -0.051336 0.123168 195 C 13 YZ -0.132184 -0.009119 -0.013211 -0.101304 0.029171 196 C 14 S -0.069469 0.075064 -0.146083 0.018591 -0.038625 197 C 14 S -0.150535 0.150866 -0.297429 0.020412 -0.057197 198 C 14 S 1.104024 -0.262320 0.510783 0.083948 1.375203 199 C 14 X -0.029215 -0.016422 -0.097973 0.001937 0.042595 200 C 14 Y 0.091785 0.145716 -0.111766 0.085008 -0.002371 201 C 14 Z -0.001630 0.009073 0.028479 0.054168 -0.146053 202 C 14 X 0.670433 0.566377 0.289672 0.905572 -0.491585 203 C 14 Y 0.119223 -0.409936 0.180608 -0.196961 0.172985 204 C 14 Z 0.498431 0.281293 0.702130 0.166452 -0.582529 205 C 14 XX 0.064927 -0.007130 -0.005492 0.071682 -0.045616 206 C 14 YY -0.005518 -0.036882 -0.001777 -0.025735 0.117737 207 C 14 ZZ -0.059409 0.044012 0.007269 -0.045947 -0.072121 208 C 14 XY -0.005551 -0.063211 0.036015 0.024083 0.002867 209 C 14 XZ -0.166054 0.041991 -0.136989 -0.086400 0.025413 210 C 14 YZ 0.059070 -0.055434 0.001580 -0.016016 0.160393 211 F 15 S -0.007136 -0.002793 -0.001667 -0.015949 0.010321 212 F 15 S -0.054237 0.007584 0.005234 -0.055843 -0.000170 213 F 15 S -0.210241 0.134591 0.067090 -0.001029 -0.249258 214 F 15 X 0.004984 -0.089179 0.011788 -0.033339 0.095806 215 F 15 Y 0.004909 -0.027954 0.018367 0.073725 -0.048069 216 F 15 Z -0.053550 0.005724 0.014192 -0.011845 -0.033016 217 F 15 X -0.054296 0.073338 0.030136 -0.004268 -0.091612 218 F 15 Y 0.038807 0.028220 -0.049210 -0.009536 0.065606 219 F 15 Z 0.180699 -0.076501 -0.028080 0.083808 0.140812 220 F 15 XX 0.001130 0.010427 -0.005863 0.004931 -0.009173 221 F 15 YY 0.001062 -0.005962 0.002231 -0.003431 0.005306 222 F 15 ZZ -0.002192 -0.004465 0.003632 -0.001501 0.003867 223 F 15 XY -0.003381 -0.004188 0.000284 -0.000518 0.002527 224 F 15 XZ 0.001254 -0.008079 0.006605 -0.001909 0.007498 225 F 15 YZ -0.000104 -0.000416 -0.000438 0.004303 -0.001076 226 F 16 S -0.001958 0.002714 0.000683 -0.006611 -0.005110 227 F 16 S 0.002879 0.009835 -0.028737 0.003900 -0.021946 228 F 16 S 0.058596 -0.002826 -0.225316 0.151744 -0.001612 229 F 16 X 0.002797 0.020349 0.030327 -0.024143 -0.059412 230 F 16 Y 0.039108 0.013876 -0.044829 0.019689 -0.016281 231 F 16 Z -0.001516 0.004609 0.009108 0.054660 -0.025751 232 F 16 X 0.048553 0.012901 -0.045926 0.076394 -0.021970 233 F 16 Y -0.035076 -0.022484 0.154949 -0.093115 0.059760 234 F 16 Z -0.005383 0.044923 -0.072785 0.034975 -0.051211 235 F 16 XX -0.001588 0.001432 0.001492 -0.001336 0.002796 236 F 16 YY 0.000665 0.003631 -0.005779 0.005969 -0.008706 237 F 16 ZZ 0.000924 -0.005063 0.004287 -0.004633 0.005910 238 F 16 XY -0.000835 -0.001015 0.001779 0.003949 -0.005461 239 F 16 XZ -0.001565 -0.001884 0.001060 -0.002108 0.000794 240 F 16 YZ 0.000876 0.000353 0.000149 0.001953 -0.001684 241 F 17 S -0.003609 0.005398 -0.008764 0.001977 -0.002787 242 F 17 S -0.008662 0.028871 -0.014111 0.015221 -0.059506 243 F 17 S 0.022273 0.057567 0.122465 0.045092 -0.342980 244 F 17 X -0.068097 0.000942 -0.062591 -0.035695 0.063862 245 F 17 Y 0.008993 -0.013032 -0.036448 0.002454 0.065956 246 F 17 Z 0.008159 -0.035371 0.005851 0.004441 0.032134 247 F 17 X -0.025749 -0.052456 0.013606 -0.039626 -0.010781 248 F 17 Y 0.017483 0.115830 0.050076 0.076120 -0.274536 249 F 17 Z -0.032346 0.057565 -0.028208 0.030701 -0.188933 250 F 17 XX 0.004729 0.000470 -0.000376 0.002279 0.000568 251 F 17 YY -0.004877 -0.000574 -0.001418 -0.002643 -0.002681 252 F 17 ZZ 0.000149 0.000104 0.001794 0.000364 0.002113 253 F 17 XY 0.004271 0.004086 0.003691 -0.000951 0.000129 254 F 17 XZ 0.003600 0.002019 -0.000566 0.004183 -0.002889 255 F 17 YZ -0.005858 -0.001781 -0.002528 -0.003482 0.000515 256 F 18 S 0.004564 0.004330 -0.000784 -0.005524 0.012038 257 F 18 S -0.002693 0.007646 -0.042079 -0.012366 0.057264 258 F 18 S -0.169311 -0.045333 -0.297405 0.034304 0.089287 259 F 18 X 0.070575 -0.027098 0.080413 0.030085 -0.004193 260 F 18 Y 0.016905 0.076862 0.016906 -0.031200 0.009652 261 F 18 Z -0.018713 0.008635 -0.047539 0.014555 0.028308 262 F 18 X -0.075476 -0.020881 -0.109163 -0.059244 0.099602 263 F 18 Y -0.021676 -0.032282 -0.103766 0.057876 0.058773 264 F 18 Z 0.053609 -0.003089 0.171295 -0.014679 -0.109795 265 F 18 XX -0.005422 0.002868 -0.005343 -0.002212 -0.002921 266 F 18 YY 0.005830 -0.000576 0.005045 0.001775 0.001169 267 F 18 ZZ -0.000408 -0.002292 0.000298 0.000437 0.001753 268 F 18 XY -0.010034 -0.000957 -0.005910 -0.009519 0.004481 269 F 18 XZ 0.006568 -0.005059 0.005880 0.001759 0.003770 270 F 18 YZ -0.001861 0.000627 -0.000089 -0.002929 0.003702 271 C 19 S -0.009356 -0.057194 -0.022989 0.106396 -0.057225 272 C 19 S -0.017150 -0.125825 -0.054926 0.236083 -0.115619 273 C 19 S 0.383118 -0.113019 -0.145145 -0.405377 0.079355 274 C 19 X -0.055711 0.061717 0.012669 0.018511 0.037200 275 C 19 Y -0.003718 0.030333 0.039302 -0.078514 0.003096 276 C 19 Z -0.158736 0.008865 0.106901 0.023629 0.010153 277 C 19 X 0.126998 0.083759 0.152278 -0.288929 -0.251030 278 C 19 Y -0.226133 0.190619 0.022061 0.100049 0.322325 279 C 19 Z 0.477983 0.014057 -0.284058 -0.106630 -0.046234 280 C 19 XX 0.009490 -0.000711 -0.000640 -0.006840 0.003612 281 C 19 YY 0.039057 -0.018199 -0.014946 -0.030104 -0.060713 282 C 19 ZZ -0.048547 0.018911 0.015587 0.036944 0.057101 283 C 19 XY 0.033477 -0.009465 -0.014952 -0.006884 -0.034115 284 C 19 XZ -0.229546 0.008243 0.184115 0.058350 0.001498 285 C 19 YZ -0.076651 -0.001749 0.076446 0.019370 -0.018098 286 H 20 S -0.015549 -0.055070 -0.048620 0.121938 -0.022169 287 H 20 S -0.145543 0.003737 -0.082218 0.235896 0.194468 288 H 20 X 0.021661 -0.009754 -0.003286 -0.024458 -0.003938 289 H 20 Y 0.015781 0.009750 -0.015745 0.008741 0.001851 290 H 20 Z -0.083851 0.004534 0.074513 0.025524 -0.001146 291 H 21 S 0.042044 -0.044657 -0.011970 -0.009882 -0.064569 292 H 21 S 0.235516 -0.088163 -0.098149 0.031208 -0.179564 293 H 21 X 0.102995 -0.015762 -0.070931 -0.041590 -0.015786 294 H 21 Y 0.029852 -0.012292 -0.025747 -0.011865 -0.015214 295 H 21 Z 0.038550 -0.011626 -0.032625 -0.000954 -0.007933 296 C 22 S -0.007570 0.094182 -0.007107 -0.090198 -0.017203 297 C 22 S -0.026143 0.202562 -0.010893 -0.199873 -0.045346 298 C 22 S -0.266626 0.146284 -0.045929 0.459830 0.083726 299 C 22 X 0.013035 -0.037915 -0.001610 0.059866 0.011124 300 C 22 Y -0.042834 0.069849 0.013981 -0.002672 -0.020995 301 C 22 Z -0.062133 -0.119730 -0.096720 -0.002676 -0.064981 302 C 22 X 0.043304 -0.311348 0.128425 -0.359436 -0.176234 303 C 22 Y -0.112661 0.144020 0.004455 -0.236707 -0.147462 304 C 22 Z 0.189863 0.400581 0.275055 -0.037099 0.206413 305 C 22 XX 0.003035 0.009500 0.008598 0.016402 -0.008769 306 C 22 YY -0.002923 0.014878 -0.029147 0.022347 0.014431 307 C 22 ZZ -0.000112 -0.024378 0.020549 -0.038749 -0.005662 308 C 22 XY 0.002506 -0.044372 0.019331 -0.024139 -0.009102 309 C 22 XZ 0.015369 0.034277 0.025488 -0.008140 0.016403 310 C 22 YZ 0.063013 0.218953 0.140426 0.026164 0.123101 311 H 23 S 0.015897 0.053116 0.015408 -0.119919 -0.074018 312 H 23 S -0.038348 -0.082894 0.048138 -0.321043 -0.146249 313 H 23 X 0.000202 -0.007017 -0.007196 -0.015087 -0.008910 314 H 23 Y 0.001570 0.017437 0.003770 -0.016807 0.011520 315 H 23 Z -0.017882 -0.078148 -0.049063 -0.016010 -0.036908 316 H 24 S -0.011456 0.029579 -0.042358 0.015367 0.013482 317 H 24 S -0.099790 -0.010623 -0.133760 0.001624 -0.078650 318 H 24 X 0.007281 0.031638 0.012707 -0.004107 0.005680 319 H 24 Y 0.030185 0.074236 0.061855 -0.004089 0.036635 320 H 24 Z 0.014432 0.022511 0.021888 0.013282 0.024692 321 H 25 S 0.021278 0.082188 0.008119 0.002649 0.042452 322 H 25 S 0.094847 0.320345 0.102345 -0.059723 0.071976 323 H 25 X -0.004688 -0.010331 -0.007502 -0.013365 -0.017253 324 H 25 Y -0.026890 -0.114502 -0.064088 -0.016896 -0.054765 325 H 25 Z 0.011140 0.027378 0.024359 -0.014088 0.000235 326 C 26 S 0.007976 0.005501 -0.015922 -0.007965 0.052343 327 C 26 S 0.020105 -0.008619 -0.021365 -0.009058 0.103377 328 C 26 S 0.177173 0.259806 0.353113 0.345489 -0.576668 329 C 26 X 0.008264 -0.030760 -0.007557 0.079156 0.127458 330 C 26 Y 0.010204 -0.038593 -0.027325 -0.069526 -0.005922 331 C 26 Z -0.013575 0.127132 0.008938 0.040007 0.017730 332 C 26 X -0.139865 0.133568 0.425330 -0.127292 -0.421889 333 C 26 Y 0.211489 -0.134464 0.142927 0.308386 -0.244171 334 C 26 Z 0.077228 -0.126768 0.020086 0.186265 -0.091425 335 C 26 XX 0.009747 -0.012671 -0.022462 -0.016932 0.004619 336 C 26 YY -0.052206 0.010953 0.023232 0.003741 0.010210 337 C 26 ZZ 0.042460 0.001718 -0.000769 0.013191 -0.014830 338 C 26 XY -0.000325 0.027409 0.013941 0.001705 -0.001866 339 C 26 XZ 0.043390 0.011916 -0.065217 -0.039226 -0.012930 340 C 26 YZ -0.088652 0.058508 0.059357 0.006503 -0.015501 341 H 27 S 0.005218 0.178452 0.035914 -0.007538 -0.082573 342 H 27 S 0.038979 -0.300440 0.190331 0.080133 -0.176956 343 H 27 X -0.040011 -0.012015 0.024437 -0.002042 -0.022813 344 H 27 Y 0.047336 -0.026298 -0.022631 -0.012784 -0.018875 345 H 27 Z 0.005327 -0.024046 0.003378 0.019024 0.050775 346 H 28 S -0.100311 0.158492 -0.103073 -0.006776 0.154432 347 H 28 S -0.145182 -0.027335 0.013912 -0.131196 0.068785 348 H 28 X -0.001098 0.013933 -0.008235 0.007687 -0.017122 349 H 28 Y -0.017884 0.037248 0.019210 0.011862 -0.004515 350 H 28 Z -0.017267 -0.020974 0.059597 -0.035718 -0.039328 351 H 29 S 0.033416 0.043584 -0.148948 0.018659 0.162098 352 H 29 S 0.166834 -0.198147 -0.223297 0.125385 0.153334 353 H 29 X 0.011744 0.016565 -0.019890 -0.025163 -0.035090 354 H 29 Y 0.026956 -0.025012 0.009016 0.009208 0.005816 355 H 29 Z 0.021585 -0.012057 -0.029901 -0.027603 -0.013606 356 C 30 S -0.068375 -0.011838 0.014694 -0.093319 0.042277 357 C 30 S -0.151100 -0.005136 0.030317 -0.190557 0.099524 358 C 30 S 0.587734 0.116720 -0.025954 0.496098 -0.455096 359 C 30 X 0.045966 0.016597 -0.027783 -0.017231 0.014814 360 C 30 Y -0.087513 -0.049559 0.032795 0.066974 0.074589 361 C 30 Z 0.064637 -0.010106 0.018901 0.007122 0.013884 362 C 30 X 0.012242 0.042365 0.265334 0.118266 0.063860 363 C 30 Y 0.213517 0.070565 0.047214 -0.133155 -0.185582 364 C 30 Z -0.252838 -0.096878 -0.044218 0.128587 0.044716 365 C 30 XX -0.022588 -0.001599 -0.018695 -0.007643 0.005810 366 C 30 YY 0.029598 0.037229 0.018130 0.037590 0.021875 367 C 30 ZZ -0.007010 -0.035630 0.000565 -0.029947 -0.027685 368 C 30 XY -0.018214 -0.015323 -0.012029 -0.003807 -0.003997 369 C 30 XZ 0.005103 0.001391 -0.033526 0.023352 0.086674 370 C 30 YZ 0.076603 0.069019 0.030357 0.072149 0.025210 371 H 31 S -0.027134 -0.107137 -0.006725 -0.177295 -0.056171 372 H 31 S 0.161455 0.203785 0.045100 -0.083671 0.044367 373 H 31 X -0.002615 -0.007772 -0.004163 0.036461 0.031784 374 H 31 Y 0.007332 0.002498 -0.011472 -0.043039 -0.005890 375 H 31 Z -0.039126 -0.047947 -0.023091 -0.062373 -0.017362 376 H 32 S -0.040157 0.000033 0.024985 0.006239 0.020931 377 H 32 S -0.091319 -0.037682 0.109421 -0.101914 0.168626 378 H 32 X 0.003489 0.020369 0.010506 0.003439 0.026559 379 H 32 Y 0.046781 0.039191 -0.010702 -0.004166 0.025344 380 H 32 Z 0.027837 0.020838 0.016289 0.017128 -0.048303 381 H 33 S -0.121218 -0.072892 -0.100220 -0.100530 0.025358 382 H 33 S -0.047409 -0.017821 -0.061892 -0.130541 0.035809 383 H 33 X -0.022275 -0.009564 -0.018707 -0.017525 -0.008030 384 H 33 Y 0.027397 0.001144 0.010968 0.014261 -0.032617 385 H 33 Z 0.020531 0.010716 -0.015997 0.023923 0.038658 386 H 34 S -0.025582 -0.039075 0.030760 0.008238 -0.051327 387 H 34 S -0.212270 -0.085283 0.117363 0.109605 -0.088093 388 H 34 X -0.105386 -0.007423 0.092137 0.017719 -0.001821 389 H 34 Y -0.035818 -0.009628 0.026790 0.010526 -0.008597 390 H 34 Z 0.024354 0.006410 -0.011068 -0.014112 0.003202 391 F 35 S 0.000170 0.000585 0.001328 -0.000895 0.002290 392 F 35 S 0.032621 -0.018811 0.027582 -0.007541 0.028699 393 F 35 S 0.205411 -0.147955 0.159993 -0.067040 0.173362 394 F 35 X -0.050410 0.061128 -0.049433 -0.012258 -0.028989 395 F 35 Y 0.030442 0.021035 0.020451 0.032039 -0.058390 396 F 35 Z 0.021505 0.009710 0.028374 -0.068131 0.072462 397 F 35 X 0.181065 -0.109991 0.134364 -0.036981 0.145706 398 F 35 Y 0.026306 0.016296 0.018162 0.011423 -0.009247 399 F 35 Z -0.021509 0.003448 -0.016940 0.040564 -0.051046 400 F 35 XX -0.000307 -0.000051 -0.000784 -0.003085 0.000920 401 F 35 YY -0.002354 0.001776 -0.002567 0.001140 -0.002968 402 F 35 ZZ 0.002661 -0.001725 0.003351 0.001945 0.002048 403 F 35 XY -0.003641 -0.000572 -0.000700 -0.003180 0.003878 404 F 35 XZ 0.000837 -0.002123 -0.000184 0.007367 -0.006724 405 F 35 YZ 0.000129 0.001919 -0.001964 0.002494 -0.002171 406 F 36 S -0.005703 0.011141 -0.007103 -0.002191 -0.008038 407 F 36 S -0.063511 0.087963 -0.070325 -0.033564 -0.039383 408 F 36 S -0.299864 0.324919 -0.293421 -0.201480 -0.033473 409 F 36 X 0.037832 -0.008544 0.049766 -0.023624 0.055255 410 F 36 Y -0.032859 0.008464 0.022204 -0.035101 -0.011885 411 F 36 Z 0.068114 -0.088885 0.077218 0.039997 0.025999 412 F 36 X -0.051430 0.065428 -0.063712 -0.027405 -0.026981 413 F 36 Y 0.043891 -0.006932 0.000656 0.055320 -0.005642 414 F 36 Z -0.271382 0.349082 -0.312010 -0.176277 -0.113452 415 F 36 XX -0.000130 -0.000349 -0.000753 0.000051 -0.001289 416 F 36 YY 0.000129 -0.002696 0.000627 0.003634 -0.003282 417 F 36 ZZ 0.000001 0.003045 0.000126 -0.003686 0.004571 418 F 36 XY 0.003339 0.002909 -0.002028 0.003990 -0.000943 419 F 36 XZ -0.000715 -0.000003 -0.002301 0.004355 -0.006467 420 F 36 YZ 0.006538 0.000966 -0.000569 0.005853 -0.002095 421 C 37 S 0.015058 0.002310 0.028380 -0.067516 -0.052980 422 C 37 S 0.029190 0.028842 0.055529 -0.169887 -0.098484 423 C 37 S -0.094012 0.695365 0.533979 -0.273945 -0.837013 424 C 37 X 0.065768 -0.142074 0.000178 0.044239 -0.111918 425 C 37 Y -0.106067 -0.032921 0.050509 0.007245 0.200627 426 C 37 Z 0.126091 -0.018858 -0.174994 -0.115174 0.067078 427 C 37 X -0.099948 -0.039364 0.043896 -0.003130 0.424764 428 C 37 Y 0.652870 0.256540 0.062979 -0.302787 -2.160982 429 C 37 Z 0.039137 0.006655 0.045585 -0.015649 -0.343479 430 C 37 XX -0.002440 0.007958 0.006073 -0.044719 -0.003466 431 C 37 YY 0.053072 0.003313 0.036897 -0.041319 -0.084017 432 C 37 ZZ -0.050633 -0.011271 -0.042970 0.086038 0.087482 433 C 37 XY -0.029054 -0.016743 -0.003274 0.028221 0.077522 434 C 37 XZ 0.122368 -0.010590 -0.095760 -0.049156 0.018031 435 C 37 YZ -0.113019 0.024250 0.077174 -0.029928 -0.023207 436 S 38 S 0.002112 0.002647 -0.018950 0.036506 0.013098 437 S 38 S 0.013211 0.021739 -0.140302 0.267051 0.096533 438 S 38 S 0.007506 0.040323 -0.203211 0.367890 0.139120 439 S 38 S -0.232194 0.360779 -0.036344 -0.537230 -0.025112 440 S 38 X -0.011254 0.004215 -0.014624 0.045973 0.007334 441 S 38 Y -0.011172 -0.028283 0.042434 -0.004173 -0.012409 442 S 38 Z -0.010190 0.001454 -0.007113 0.004079 0.008833 443 S 38 X -0.032996 0.022592 -0.083536 0.184482 0.036416 444 S 38 Y -0.036409 -0.112348 0.158144 -0.010697 -0.049389 445 S 38 Z -0.035616 0.003030 -0.027611 0.011515 0.031074 446 S 38 X 0.089665 0.033745 0.260068 -0.677702 0.220333 447 S 38 Y 0.168461 -0.158404 0.009940 -0.087991 0.253288 448 S 38 Z 0.187867 -0.000751 0.223978 -0.050486 -0.251810 449 S 38 XX 0.108020 0.051906 0.050885 -0.350983 0.058499 450 S 38 YY -0.117425 -0.106592 0.023753 0.221058 -0.100722 451 S 38 ZZ 0.009405 0.054686 -0.074638 0.129925 0.042223 452 S 38 XY -0.015082 -0.186292 -0.007403 0.131925 -0.094704 453 S 38 XZ 0.093757 -0.037622 -0.102450 -0.053160 0.017696 454 S 38 YZ -0.144918 0.009603 -0.223239 0.048749 0.196815 455 S 38 XX 0.018037 0.008093 0.001309 -0.046608 0.007878 456 S 38 YY -0.017601 -0.017519 0.009282 0.028850 -0.013741 457 S 38 ZZ -0.000436 0.009426 -0.010591 0.017759 0.005863 458 S 38 XY 0.001385 -0.025099 -0.000808 0.017418 -0.013344 459 S 38 XZ 0.011914 -0.005607 -0.013373 -0.007012 0.002465 460 S 38 YZ -0.021070 0.002401 -0.026369 0.007535 0.024621 461 H 39 S 0.056995 0.039525 -0.098812 0.069996 -0.150670 462 H 39 S 0.160350 -0.147520 -0.032553 0.007650 -0.305845 463 H 39 X -0.017951 0.034435 -0.005086 0.013318 0.019605 464 H 39 Y -0.011809 -0.015663 0.017437 0.031574 -0.047694 465 H 39 Z 0.104400 -0.003903 -0.072437 -0.042506 -0.013213 226 227 228 229 230 1.1706 1.1819 1.1869 1.2027 1.2199 A A A A A 1 C 1 S -0.243069 -0.011688 -0.083731 -0.052915 0.052567 2 C 1 S -0.488406 -0.073085 -0.134779 -0.126443 0.153634 3 C 1 S 2.613366 0.178311 1.318068 0.663675 -0.175005 4 C 1 X 0.221555 -0.073394 0.093129 -0.015344 -0.073454 5 C 1 Y 0.144473 0.019130 0.195207 -0.007092 0.031746 6 C 1 Z 0.038409 0.055903 -0.005486 0.071364 0.004487 7 C 1 X -1.625714 -0.004488 -0.619397 -0.111215 0.989024 8 C 1 Y -0.357722 -1.504157 -0.360659 -0.458335 0.688238 9 C 1 Z -0.072845 -0.203095 0.004131 -0.241515 -0.053998 10 C 1 XX 0.033896 0.011638 0.003999 0.048690 -0.063482 11 C 1 YY -0.083290 0.001692 -0.047250 -0.008121 0.040003 12 C 1 ZZ 0.049394 -0.013330 0.043250 -0.040569 0.023479 13 C 1 XY -0.016469 0.026751 -0.001690 -0.009152 -0.033876 14 C 1 XZ 0.058233 0.044846 -0.031502 0.054601 -0.005811 15 C 1 YZ -0.060411 -0.063096 0.006924 -0.018101 0.009198 16 C 2 S 0.024745 -0.122428 -0.011418 0.157445 -0.065571 17 C 2 S 0.049514 -0.218596 -0.031420 0.354185 -0.162324 18 C 2 S -0.054879 2.582209 -0.185728 -1.132759 0.103672 19 C 2 X 0.089375 0.244688 0.051468 0.030886 -0.015968 20 C 2 Y -0.072586 0.149522 -0.018033 0.061147 0.020498 21 C 2 Z 0.041718 0.052944 0.036870 -0.008495 0.037592 22 C 2 X -1.533372 -1.038371 -0.475212 -0.454921 0.268134 23 C 2 Y 1.571654 1.388920 0.714087 -0.261767 -1.449371 24 C 2 Z 0.203981 0.077564 -0.092104 0.156633 -0.188170 25 C 2 XX -0.181782 -0.053636 -0.075330 0.011086 0.044818 26 C 2 YY 0.177634 0.055491 0.029434 0.015212 -0.068126 27 C 2 ZZ 0.004148 -0.001854 0.045896 -0.026298 0.023308 28 C 2 XY -0.009740 -0.010077 0.037547 0.006779 -0.026229 29 C 2 XZ -0.024018 -0.026433 0.009428 -0.029468 -0.004774 30 C 2 YZ -0.080448 -0.058244 -0.027743 0.055618 -0.046537 31 C 3 S 0.177278 -0.097536 0.060900 0.047991 -0.046635 32 C 3 S 0.372565 -0.226169 0.113529 0.119095 -0.087958 33 C 3 S -1.846420 0.055783 -0.560203 0.451546 1.305753 34 C 3 X 0.017824 0.033587 0.128150 -0.152965 0.185677 35 C 3 Y -0.317125 -0.131023 -0.083054 0.132376 0.005479 36 C 3 Z -0.044716 -0.012820 -0.165430 0.086597 -0.088345 37 C 3 X 0.269363 -0.011201 -1.736684 0.819635 0.454869 38 C 3 Y 2.266467 2.595633 0.126347 -0.362755 -0.875656 39 C 3 Z -0.091990 0.118327 0.488769 -0.283858 0.249810 40 C 3 XX 0.007247 -0.005911 0.049268 0.003872 0.013996 41 C 3 YY 0.014988 -0.092264 -0.120395 0.040180 0.018316 42 C 3 ZZ -0.022235 0.098175 0.071127 -0.044052 -0.032312 43 C 3 XY 0.046633 0.013941 -0.077373 -0.038475 0.013432 44 C 3 XZ 0.038265 0.064564 -0.034105 0.092589 0.022339 45 C 3 YZ 0.052646 0.069944 0.082138 -0.044255 0.083395 46 C 4 S 0.066854 0.049213 0.049889 0.025306 0.028017 47 C 4 S 0.135332 0.127773 0.128272 0.030490 0.006824 48 C 4 S -0.682427 -1.382241 0.592328 -0.878522 -0.633259 49 C 4 X -0.088191 -0.031369 0.117630 0.086525 -0.270990 50 C 4 Y 0.006525 -0.033709 0.004234 0.006208 0.069742 51 C 4 Z -0.105768 -0.134063 0.078255 -0.018990 0.043430 52 C 4 X 0.967680 0.854106 -1.009215 -0.059097 0.379312 53 C 4 Y -0.191137 -0.169001 -0.707987 0.115829 0.368515 54 C 4 Z 1.115877 0.670916 -1.266599 0.075382 0.002998 55 C 4 XX 0.053140 -0.014293 -0.020215 -0.014309 0.014349 56 C 4 YY -0.049447 0.001672 -0.006416 0.029384 0.001525 57 C 4 ZZ -0.003693 0.012622 0.026632 -0.015075 -0.015874 58 C 4 XY 0.006190 0.004920 0.069614 -0.000411 0.052138 59 C 4 XZ -0.056705 -0.055556 -0.144472 -0.090854 -0.050016 60 C 4 YZ -0.046130 -0.015846 0.037801 -0.006098 0.015730 61 S 5 S 0.022260 -0.010395 0.028787 -0.015639 0.009375 62 S 5 S 0.162691 -0.070956 0.213746 -0.113926 0.065041 63 S 5 S 0.225963 -0.069513 0.312259 -0.158772 0.072355 64 S 5 S -0.245292 0.628921 -0.201546 0.435142 -0.622895 65 S 5 X 0.003372 -0.022955 -0.026514 0.004645 0.014676 66 S 5 Y -0.021925 0.008103 0.000868 0.001357 -0.046135 67 S 5 Z -0.008661 -0.000524 -0.011171 -0.007348 -0.015044 68 S 5 X 0.011492 -0.118571 -0.103432 0.022632 0.043204 69 S 5 Y -0.089771 0.013780 0.021455 -0.007809 -0.193659 70 S 5 Z -0.048020 -0.001522 -0.023325 -0.020696 -0.048595 71 S 5 X 0.091385 -0.319523 0.226920 -0.217537 -0.001809 72 S 5 Y -0.110533 -0.649893 0.042786 -0.057061 0.770493 73 S 5 Z -0.132944 -0.060866 0.295355 0.161834 0.173244 74 S 5 XX 0.138908 0.297764 -0.118211 0.083003 0.225648 75 S 5 YY -0.119393 -0.165474 -0.128875 -0.081512 -0.271241 76 S 5 ZZ -0.019515 -0.132291 0.247087 -0.001490 0.045593 77 S 5 XY -0.171559 0.477262 -0.061663 0.139083 -0.252261 78 S 5 XZ 0.115638 0.012363 -0.206953 -0.110511 -0.168108 79 S 5 YZ -0.176149 -0.100384 0.222426 0.066337 0.109225 80 S 5 XX 0.022368 0.038632 -0.014847 0.011069 0.029874 81 S 5 YY -0.020493 -0.023630 -0.021754 -0.011970 -0.034297 82 S 5 ZZ -0.001875 -0.015001 0.036601 0.000900 0.004423 83 S 5 XY -0.024016 0.064374 -0.008435 0.020777 -0.034379 84 S 5 XZ 0.013325 0.000627 -0.027554 -0.015357 -0.024581 85 S 5 YZ -0.021984 -0.011645 0.030405 0.011018 0.016570 86 H 6 S 0.083581 -0.038933 0.012349 -0.009202 -0.230750 87 H 6 S -0.004775 -0.225187 0.064239 -0.122290 -0.370817 88 H 6 X 0.009705 -0.086057 -0.031396 0.008509 0.034903 89 H 6 Y -0.022353 -0.062924 0.011913 0.028433 -0.021626 90 H 6 Z 0.065648 0.053776 -0.001040 0.014709 0.012482 91 C 7 S 0.116325 -0.030120 0.100112 -0.057850 -0.125245 92 C 7 S 0.280901 -0.055328 0.226933 -0.144851 -0.316671 93 C 7 S -0.287949 0.158246 -0.683366 0.466361 0.569154 94 C 7 X -0.077472 -0.116623 0.000750 -0.168860 0.032129 95 C 7 Y -0.092326 -0.147597 -0.081486 0.038518 -0.170344 96 C 7 Z -0.011813 0.032498 0.253106 0.075230 0.032702 97 C 7 X -0.267699 0.672196 0.504280 1.159332 0.081790 98 C 7 Y 0.500692 0.016524 0.107204 -0.268810 -0.634690 99 C 7 Z 0.555009 -0.160796 -0.910974 -0.136341 0.248205 100 C 7 XX 0.022652 0.011645 -0.006020 0.024066 -0.031249 101 C 7 YY 0.020976 0.000549 0.013057 -0.036113 -0.038330 102 C 7 ZZ -0.043628 -0.012194 -0.007038 0.012047 0.069578 103 C 7 XY -0.009319 -0.072114 -0.008395 0.017334 0.012428 104 C 7 XZ -0.014574 -0.031776 -0.018185 -0.034022 -0.108293 105 C 7 YZ 0.027289 0.029122 0.090208 0.055093 0.097783 106 C 8 S -0.153069 0.165673 -0.174715 0.159499 0.076472 107 C 8 S -0.357912 0.328547 -0.355421 0.348585 0.190103 108 C 8 S 1.163329 -2.420953 2.251856 -1.372472 -1.520814 109 C 8 X 0.076359 0.231480 -0.175048 -0.035545 -0.036553 110 C 8 Y 0.121054 -0.019368 0.059372 -0.056033 0.014602 111 C 8 Z -0.024195 0.022650 0.072634 0.034349 -0.013481 112 C 8 X 0.311723 -1.253137 0.893311 -0.539824 -1.010182 113 C 8 Y -1.042883 0.923707 -0.684032 0.553183 0.685115 114 C 8 Z 0.090405 0.046838 -0.243079 -0.074290 0.145035 115 C 8 XX -0.032682 0.034068 -0.059581 0.037102 0.014364 116 C 8 YY 0.039596 -0.027818 0.011700 0.028979 -0.013593 117 C 8 ZZ -0.006914 -0.006250 0.047881 -0.066082 -0.000770 118 C 8 XY -0.038171 0.091445 -0.050585 0.005366 0.067885 119 C 8 XZ -0.020289 -0.001547 -0.062495 0.014422 0.008461 120 C 8 YZ -0.046525 0.008754 0.038228 0.044003 -0.032552 121 C 9 S -0.018314 -0.071565 0.093590 -0.089706 -0.053410 122 C 9 S -0.030688 -0.154217 0.185175 -0.192488 -0.104043 123 C 9 S 0.987310 1.203930 -1.307994 0.282201 0.666761 124 C 9 X 0.125896 -0.274982 0.010420 -0.114493 -0.088398 125 C 9 Y -0.012677 0.104594 0.070175 0.000006 0.067051 126 C 9 Z 0.070673 0.046705 -0.047173 -0.011690 0.143225 127 C 9 X -0.783117 1.354566 -0.030189 1.244078 0.679336 128 C 9 Y -0.471851 -0.410186 0.167649 -0.059758 -0.257300 129 C 9 Z -0.595526 -0.070056 0.592961 -0.037023 -0.692879 130 C 9 XX 0.009711 0.008603 -0.028645 -0.012795 0.076906 131 C 9 YY 0.028430 0.025068 0.003793 0.014358 -0.032212 132 C 9 ZZ -0.038141 -0.033671 0.024852 -0.001563 -0.044695 133 C 9 XY -0.032937 -0.006263 -0.119881 0.016689 -0.016626 134 C 9 XZ 0.015028 0.035712 0.082561 0.096058 0.118939 135 C 9 YZ -0.001357 -0.018462 0.054125 -0.014464 -0.004361 136 C 10 S -0.035810 -0.009364 0.048749 0.149045 -0.076944 137 C 10 S -0.102623 -0.032678 0.077263 0.318791 -0.159122 138 C 10 S 0.512103 -0.124884 -0.585313 -1.029286 0.112019 139 C 10 X -0.087606 -0.066438 -0.024919 0.056067 -0.006840 140 C 10 Y 0.003791 -0.250160 -0.166725 0.084029 0.095656 141 C 10 Z 0.056186 0.028083 -0.052746 0.048257 0.014076 142 C 10 X -0.407115 -0.036128 -0.011735 0.878210 -0.323052 143 C 10 Y -0.622748 1.493073 1.852329 -0.319882 0.097614 144 C 10 Z -0.482613 -0.043928 0.624331 -0.344124 -0.178799 145 C 10 XX -0.005359 0.093280 0.048863 -0.091482 -0.043644 146 C 10 YY 0.004132 -0.114607 -0.039710 0.056852 0.007360 147 C 10 ZZ 0.001226 0.021327 -0.009153 0.034630 0.036284 148 C 10 XY 0.039193 0.029603 0.051121 0.066761 -0.011550 149 C 10 XZ -0.050730 0.013431 -0.024021 -0.167563 -0.041839 150 C 10 YZ 0.044154 -0.021904 0.045733 0.021791 0.057819 151 C 11 S 0.049912 -0.147131 0.033579 0.100185 0.022841 152 C 11 S 0.089626 -0.295985 0.083470 0.187164 0.088740 153 C 11 S -1.012971 1.195565 0.239925 -0.759331 0.592936 154 C 11 X -0.062962 0.020171 0.112073 -0.039486 0.083582 155 C 11 Y 0.021306 -0.217204 -0.118880 0.014270 0.079940 156 C 11 Z -0.129641 0.049061 0.129215 0.029797 0.048300 157 C 11 X 0.691030 -0.944009 -0.764632 0.342848 0.240017 158 C 11 Y -0.689456 0.806496 1.876814 0.264575 -0.164967 159 C 11 Z 0.589947 -0.240143 -0.698172 0.208737 0.004470 160 C 11 XX -0.002784 -0.093336 -0.073338 -0.006335 0.009859 161 C 11 YY 0.022963 0.038565 0.070353 0.021487 -0.012991 162 C 11 ZZ -0.020179 0.054771 0.002985 -0.015153 0.003132 163 C 11 XY 0.009059 0.020550 0.014875 -0.078074 0.021630 164 C 11 XZ -0.014262 -0.005792 0.047433 -0.215596 -0.036401 165 C 11 YZ 0.010287 0.042320 -0.008925 -0.038523 0.041138 166 C 12 S -0.093771 0.099625 0.084089 -0.183197 -0.073314 167 C 12 S -0.205051 0.188502 0.153069 -0.371519 -0.117932 168 C 12 S -0.004419 -0.745442 -0.767145 1.388546 0.959834 169 C 12 X -0.094982 0.034250 0.025061 -0.035675 0.002891 170 C 12 Y 0.007367 -0.029271 -0.018820 0.014375 0.123128 171 C 12 Z 0.159673 -0.021427 -0.091166 -0.046836 -0.049843 172 C 12 X 0.237462 -0.419395 -0.493507 1.266811 -0.669173 173 C 12 Y 0.030816 -0.218086 -0.121438 0.431854 -0.724433 174 C 12 Z 0.263864 0.178488 -0.162186 -0.283115 0.077986 175 C 12 XX -0.017137 0.019190 0.044658 0.022922 -0.083913 176 C 12 YY -0.147895 0.011259 0.013144 -0.032012 0.055848 177 C 12 ZZ 0.165032 -0.030449 -0.057802 0.009089 0.028065 178 C 12 XY -0.033175 0.007983 0.014267 -0.032366 -0.059389 179 C 12 XZ 0.062128 -0.027276 0.054997 0.158362 0.019194 180 C 12 YZ 0.086368 0.070034 0.004764 -0.123543 -0.028334 181 C 13 S -0.129536 0.078371 -0.026483 -0.153890 0.179418 182 C 13 S -0.256711 0.164348 -0.056049 -0.316840 0.348530 183 C 13 S 0.857437 -0.238977 0.120261 0.858287 -1.574614 184 C 13 X 0.016815 0.021895 -0.001375 0.065057 0.034115 185 C 13 Y 0.026448 -0.023013 0.013294 0.005794 -0.004505 186 C 13 Z -0.016232 0.119448 0.004747 -0.045377 -0.080163 187 C 13 X 0.084564 -0.000252 0.156602 -0.161700 -0.120823 188 C 13 Y -0.146657 0.017600 -0.222566 0.083894 -0.321735 189 C 13 Z 0.272394 -0.215823 -0.183952 0.589451 -0.408990 190 C 13 XX -0.076929 0.055074 -0.023012 -0.162288 0.001725 191 C 13 YY 0.090741 0.011444 0.006803 0.135646 -0.051029 192 C 13 ZZ -0.013812 -0.066517 0.016208 0.026642 0.049304 193 C 13 XY 0.064112 -0.030912 -0.012039 -0.017364 0.011324 194 C 13 XZ -0.074419 -0.025539 -0.019859 -0.090141 0.174870 195 C 13 YZ -0.154221 0.067301 0.034106 0.044714 -0.134816 196 C 14 S 0.040325 0.099446 0.045001 -0.190267 0.081608 197 C 14 S 0.068993 0.217826 0.109300 -0.394990 0.173032 198 C 14 S -0.232570 -0.716134 -0.235921 1.087571 -0.115528 199 C 14 X 0.074119 0.054146 0.100336 -0.059973 0.063684 200 C 14 Y 0.055062 0.026429 -0.020982 -0.061259 0.026889 201 C 14 Z -0.035971 0.039991 0.099190 -0.089410 -0.220145 202 C 14 X 0.464674 -0.380196 0.039015 0.904511 -0.276313 203 C 14 Y -0.050540 -0.174971 -0.012948 -0.040836 -0.083390 204 C 14 Z -0.480711 0.373362 0.509927 -0.376002 -0.214137 205 C 14 XX 0.130036 -0.008523 0.020697 -0.001970 -0.007451 206 C 14 YY -0.051035 -0.063209 -0.078707 -0.068276 0.177045 207 C 14 ZZ -0.079001 0.071732 0.058010 0.070246 -0.169594 208 C 14 XY -0.023882 0.003446 -0.013346 0.020282 -0.055589 209 C 14 XZ -0.004339 0.032279 -0.036342 0.206004 -0.043337 210 C 14 YZ 0.095532 -0.082709 -0.090856 0.112537 0.190811 211 F 15 S -0.009806 0.004241 -0.004174 0.002472 0.008973 212 F 15 S -0.058584 0.016465 0.013773 0.021342 0.001279 213 F 15 S -0.159130 0.016229 0.168596 0.059516 -0.212815 214 F 15 X -0.013280 0.019836 -0.045113 -0.052881 0.045590 215 F 15 Y -0.001555 -0.039919 0.023570 0.060737 -0.016242 216 F 15 Z -0.045574 0.008639 0.025897 0.012709 -0.046051 217 F 15 X -0.077071 0.025140 0.083690 -0.049702 -0.017441 218 F 15 Y 0.017614 0.024712 -0.031657 -0.084703 0.085301 219 F 15 Z 0.197851 -0.041099 -0.153644 -0.091542 0.132366 220 F 15 XX 0.003468 0.000251 0.003967 0.002942 0.002421 221 F 15 YY -0.001247 -0.002752 -0.001896 0.006911 -0.001117 222 F 15 ZZ -0.002222 0.002501 -0.002071 -0.009854 -0.001304 223 F 15 XY 0.000994 0.001654 0.000625 0.004471 -0.006418 224 F 15 XZ -0.004149 0.001069 0.000207 -0.005656 0.000607 225 F 15 YZ -0.001323 -0.003745 -0.000193 0.004904 -0.001118 226 F 16 S 0.001755 0.002255 -0.003300 -0.006198 -0.005457 227 F 16 S 0.028345 0.026115 -0.007745 -0.057035 -0.026278 228 F 16 S 0.118287 0.159056 0.043502 -0.295605 -0.012496 229 F 16 X 0.003384 -0.024667 -0.004174 0.007925 0.008893 230 F 16 Y 0.066637 0.031834 0.008198 -0.058502 -0.036964 231 F 16 Z 0.022645 -0.047335 0.005229 0.107316 0.015868 232 F 16 X 0.028197 0.059868 0.019437 -0.162238 0.037148 233 F 16 Y -0.167187 -0.113661 -0.007542 0.204801 0.172220 234 F 16 Z 0.034592 0.064809 0.017826 -0.138279 -0.064759 235 F 16 XX -0.004120 0.002470 0.002521 -0.002603 -0.002286 236 F 16 YY 0.002839 -0.002673 0.001246 0.003754 0.003920 237 F 16 ZZ 0.001281 0.000203 -0.003766 -0.001151 -0.001634 238 F 16 XY 0.004113 -0.001442 0.001117 0.003728 0.000293 239 F 16 XZ -0.003022 0.000359 0.000972 0.002393 -0.004816 240 F 16 YZ 0.004687 -0.005407 -0.002663 0.012541 -0.005297 241 F 17 S -0.003062 0.009027 0.003830 -0.012191 -0.004129 242 F 17 S -0.017159 0.051890 0.044851 -0.070669 -0.046432 243 F 17 S -0.067479 0.162087 0.224381 -0.249134 -0.174496 244 F 17 X -0.047992 0.039602 -0.009341 -0.017171 0.021833 245 F 17 Y 0.035373 -0.018355 -0.045544 0.002230 0.078568 246 F 17 Z 0.043269 -0.069666 -0.044949 0.117850 -0.005166 247 F 17 X -0.011327 0.045122 0.047965 -0.071492 -0.033588 248 F 17 Y -0.063314 0.117663 0.164748 -0.172153 -0.218232 249 F 17 Z -0.004159 0.117056 0.122915 -0.181133 -0.143336 250 F 17 XX 0.003640 -0.004901 -0.003670 -0.000576 0.001565 251 F 17 YY 0.001599 0.004670 0.003969 0.007067 -0.006750 252 F 17 ZZ -0.005240 0.000231 -0.000299 -0.006491 0.005186 253 F 17 XY -0.003146 -0.000659 0.000490 -0.007606 0.006764 254 F 17 XZ 0.004753 -0.002306 0.000285 0.000435 0.003109 255 F 17 YZ -0.000672 0.003517 0.001318 -0.007019 0.006068 256 F 18 S -0.000258 0.002380 0.000890 -0.000358 0.017863 257 F 18 S 0.044368 -0.015724 -0.023124 0.018712 0.089660 258 F 18 S 0.304208 -0.140497 -0.167205 0.102288 0.170746 259 F 18 X -0.014782 0.017881 0.065483 -0.070144 0.010828 260 F 18 Y -0.105688 0.053357 0.025868 -0.087606 0.003345 261 F 18 Z 0.050832 -0.028442 -0.021615 -0.010243 0.091604 262 F 18 X 0.052829 -0.037503 -0.073920 -0.017050 0.106121 263 F 18 Y 0.154273 -0.083795 -0.093757 0.106231 0.114401 264 F 18 Z -0.220356 0.105152 0.125431 -0.101842 -0.284220 265 F 18 XX 0.000364 -0.000430 -0.003856 0.007872 -0.003807 266 F 18 YY 0.001748 -0.001463 0.001478 0.004745 0.001539 267 F 18 ZZ -0.002112 0.001892 0.002378 -0.012617 0.002268 268 F 18 XY -0.004698 0.006799 -0.000402 -0.000318 -0.000644 269 F 18 XZ 0.001599 -0.003543 -0.002183 -0.004725 0.004316 270 F 18 YZ -0.006265 0.000826 -0.002900 0.000559 0.002930 271 C 19 S -0.017352 0.028908 -0.015217 -0.022065 0.046873 272 C 19 S -0.033818 0.053547 -0.036846 -0.044347 0.099873 273 C 19 S 0.300147 0.262382 -0.318138 0.277622 -0.003699 274 C 19 X -0.031775 -0.009572 0.072022 -0.012416 0.019148 275 C 19 Y -0.016951 -0.038372 0.025912 -0.000788 -0.046604 276 C 19 Z 0.007932 -0.013385 -0.000720 -0.005759 0.011377 277 C 19 X -0.145135 0.233200 -0.284989 0.192610 0.028862 278 C 19 Y 0.016814 -0.312255 0.354737 -0.204492 -0.161442 279 C 19 Z -0.085378 0.002374 0.101124 0.026594 -0.101982 280 C 19 XX -0.010268 0.014895 0.002639 0.008452 0.004885 281 C 19 YY -0.008702 0.018403 -0.066389 0.045135 0.020221 282 C 19 ZZ 0.018970 -0.033297 0.063750 -0.053587 -0.025106 283 C 19 XY -0.018427 0.074631 -0.014714 0.007538 0.025760 284 C 19 XZ 0.039453 0.007963 -0.016442 -0.020365 0.045603 285 C 19 YZ 0.016470 0.010232 -0.017283 0.000625 0.028324 286 H 20 S 0.009689 0.003150 0.035595 -0.073120 0.033297 287 H 20 S 0.065653 -0.216742 0.246576 -0.184925 -0.042279 288 H 20 X 0.013186 0.008190 -0.011741 -0.007398 -0.016502 289 H 20 Y -0.001790 0.041206 0.008058 -0.037479 0.002449 290 H 20 Z 0.017670 0.006999 0.006597 -0.014514 0.014328 291 H 21 S -0.003933 0.061933 -0.033439 0.015551 0.010555 292 H 21 S -0.074120 0.075983 -0.072657 0.049517 0.056461 293 H 21 X -0.017488 0.007080 -0.014556 0.025643 -0.017942 294 H 21 Y -0.001013 -0.005537 -0.018205 0.020944 0.006642 295 H 21 Z 0.000543 -0.019761 -0.007554 0.004806 -0.004693 296 C 22 S 0.023227 -0.124487 0.014553 -0.070767 0.083145 297 C 22 S 0.053762 -0.273865 0.033346 -0.160553 0.170778 298 C 22 S -0.377871 -0.266971 -0.349860 -0.077775 -0.324399 299 C 22 X -0.042312 0.042536 -0.014945 0.026217 -0.092706 300 C 22 Y -0.021067 -0.116151 -0.017957 -0.092914 -0.055140 301 C 22 Z -0.029806 -0.054212 -0.016903 -0.048205 -0.001765 302 C 22 X 0.545395 0.304840 0.312244 0.165010 0.048684 303 C 22 Y 0.171407 -0.256363 -0.007669 -0.127562 0.083893 304 C 22 Z 0.106633 0.120727 0.070261 0.164685 0.041291 305 C 22 XX -0.023332 -0.044480 -0.001748 0.010396 -0.067100 306 C 22 YY -0.046265 -0.017977 -0.038695 -0.030749 0.048820 307 C 22 ZZ 0.069597 0.062457 0.040443 0.020353 0.018281 308 C 22 XY 0.051067 0.052389 0.029835 0.020634 0.006303 309 C 22 XZ 0.016839 0.013989 0.006144 0.009739 0.005566 310 C 22 YZ 0.060778 0.078192 -0.009877 0.077371 0.000653 311 H 23 S 0.089147 -0.076358 0.035192 -0.049667 0.068733 312 H 23 S 0.354220 0.066813 0.162755 0.007376 0.115994 313 H 23 X 0.016444 0.038461 -0.001947 -0.009842 0.061515 314 H 23 Y 0.002106 -0.036647 0.015247 0.013748 -0.003733 315 H 23 Z -0.027445 -0.035807 0.005818 -0.020610 0.002241 316 H 24 S -0.045765 -0.080223 -0.036826 -0.048899 0.012757 317 H 24 S -0.113004 -0.228471 -0.105214 -0.154241 0.036946 318 H 24 X 0.008118 -0.017970 0.001323 0.007488 -0.009662 319 H 24 Y 0.046575 0.069637 0.021725 0.041231 0.026029 320 H 24 Z 0.003533 0.038657 -0.002783 0.012369 0.022111 321 H 25 S -0.012350 -0.057109 -0.017524 -0.021306 0.024352 322 H 25 S -0.053263 -0.130026 0.014666 -0.011211 0.086782 323 H 25 X -0.003085 -0.035317 0.008589 -0.006040 -0.010406 324 H 25 Y -0.009478 0.004910 0.002791 -0.027506 0.017459 325 H 25 Z 0.012410 -0.012181 0.013892 0.004670 -0.018878 326 C 26 S 0.180339 -0.008682 0.030722 -0.058668 -0.040023 327 C 26 S 0.377297 -0.006701 0.059700 -0.123419 -0.080112 328 C 26 S -1.429336 -0.069555 0.243799 0.164528 -0.309399 329 C 26 X 0.043157 -0.091339 0.047821 0.004523 0.005688 330 C 26 Y 0.034253 0.051190 0.144808 -0.032962 0.042181 331 C 26 Z -0.008078 0.030665 -0.017031 -0.059474 -0.049724 332 C 26 X -0.080590 0.003546 0.053823 -0.054152 0.028971 333 C 26 Y -0.187107 -0.119119 -0.280005 0.126808 -0.052910 334 C 26 Z -0.145821 -0.238161 0.310340 -0.054216 -0.240941 335 C 26 XX 0.000157 0.017366 -0.040013 -0.009742 0.015247 336 C 26 YY 0.026092 -0.001025 -0.003995 0.021008 0.032509 337 C 26 ZZ -0.026250 -0.016341 0.044008 -0.011266 -0.047756 338 C 26 XY -0.027530 -0.015494 0.031397 0.011702 0.013291 339 C 26 XZ -0.011287 0.021112 -0.102162 -0.085513 -0.077407 340 C 26 YZ 0.017479 0.000866 -0.035657 -0.006877 -0.023653 341 H 27 S -0.018349 0.006433 0.058503 0.004809 0.065802 342 H 27 S 0.219524 -0.157183 -0.088518 -0.017251 -0.070028 343 H 27 X 0.015546 0.001435 -0.008224 0.023179 0.003875 344 H 27 Y 0.010141 0.005567 -0.050328 -0.017186 -0.011528 345 H 27 Z 0.007759 0.006169 0.044933 0.020864 0.007157 346 H 28 S 0.174727 -0.014612 0.010183 -0.089047 -0.044978 347 H 28 S 0.183700 0.018971 0.238651 -0.077874 -0.002427 348 H 28 X -0.002937 -0.004290 0.047044 0.030905 0.085806 349 H 28 Y -0.007333 -0.023334 -0.032210 0.015624 0.001698 350 H 28 Z 0.040667 0.000076 -0.004977 0.012573 0.011168 351 H 29 S 0.148516 -0.064500 -0.094456 -0.120867 -0.151275 352 H 29 S 0.108739 -0.064303 0.080170 0.046772 0.016241 353 H 29 X -0.036685 0.030936 -0.010068 0.000632 0.007726 354 H 29 Y -0.021251 -0.015943 0.037804 0.029590 -0.001216 355 H 29 Z 0.003930 0.047044 -0.053359 -0.007287 0.027072 356 C 30 S 0.099826 -0.089980 0.013241 0.011826 -0.067932 357 C 30 S 0.204301 -0.194808 0.030525 0.041174 -0.134179 358 C 30 S -1.070472 0.200532 0.658792 -0.119058 0.473757 359 C 30 X -0.024369 -0.047496 0.182465 0.136355 0.032475 360 C 30 Y 0.091703 0.059983 -0.070719 0.027673 -0.064813 361 C 30 Z 0.034452 0.035685 -0.076683 0.073112 -0.035374 362 C 30 X -0.046598 0.138322 -0.046216 -0.309812 -0.204737 363 C 30 Y 0.175460 0.122753 0.117327 -0.197107 0.248331 364 C 30 Z 0.159678 0.070010 -0.404241 -0.234132 -0.037885 365 C 30 XX 0.000223 0.011472 0.015255 0.016265 0.036014 366 C 30 YY 0.043555 0.026859 -0.050617 -0.013278 -0.023267 367 C 30 ZZ -0.043778 -0.038332 0.035362 -0.002988 -0.012746 368 C 30 XY 0.006621 0.006507 -0.066108 -0.006973 0.008225 369 C 30 XZ -0.008172 0.021065 0.193022 0.125335 0.014360 370 C 30 YZ 0.037781 0.027150 -0.019565 -0.041046 -0.001764 371 H 31 S 0.157475 -0.002699 0.075858 -0.129691 0.033379 372 H 31 S 0.097334 -0.017685 0.078546 0.079161 0.055556 373 H 31 X 0.017314 0.047827 0.097581 0.003961 -0.019241 374 H 31 Y -0.025666 -0.016139 0.032621 0.025229 0.019373 375 H 31 Z -0.024207 0.007086 0.046484 0.000719 0.020372 376 H 32 S -0.004426 -0.003558 0.073963 -0.154887 -0.054542 377 H 32 S 0.072817 -0.060170 0.017303 0.202897 -0.273638 378 H 32 X 0.045347 0.026801 -0.075932 -0.012810 -0.006230 379 H 32 Y -0.015528 0.005983 0.029813 0.003836 0.039074 380 H 32 Z 0.005684 0.006930 -0.048122 -0.071270 0.003592 381 H 33 S -0.045695 -0.165952 -0.015931 -0.009042 -0.070283 382 H 33 S 0.134780 -0.125503 -0.024157 0.262599 -0.042769 383 H 33 X -0.029712 0.006969 -0.034728 -0.029684 0.020489 384 H 33 Y 0.007336 0.015733 -0.020791 -0.055508 -0.006894 385 H 33 Z -0.033234 -0.021716 0.081733 0.045878 -0.007612 386 H 34 S 0.005643 0.053312 -0.044306 0.009958 0.033995 387 H 34 S -0.021755 0.054955 -0.130069 0.036628 0.109059 388 H 34 X 0.023655 0.006654 -0.013861 0.009403 0.023074 389 H 34 Y 0.006773 -0.011481 -0.009549 0.021951 0.024675 390 H 34 Z 0.001494 0.023839 -0.001006 0.000460 0.000753 391 F 35 S 0.000454 -0.003366 -0.002277 0.007257 0.001566 392 F 35 S -0.007071 -0.013329 -0.000669 0.017325 0.034119 393 F 35 S -0.103714 0.017134 0.048621 -0.133184 0.235114 394 F 35 X -0.003177 0.014637 -0.020186 0.007412 -0.049318 395 F 35 Y 0.053489 -0.026862 0.016346 0.004489 0.006341 396 F 35 Z -0.073733 0.022055 -0.012952 -0.090165 0.091951 397 F 35 X -0.037234 -0.044937 0.031657 0.026311 0.209382 398 F 35 Y -0.009808 -0.000301 0.000784 -0.004205 0.032006 399 F 35 Z 0.025702 0.009166 0.006744 -0.004303 -0.076322 400 F 35 XX 0.000248 0.001191 -0.000257 -0.000025 -0.000814 401 F 35 YY 0.001527 0.000080 0.000599 0.002855 -0.002251 402 F 35 ZZ -0.001775 -0.001271 -0.000342 -0.002830 0.003065 403 F 35 XY -0.006737 0.003615 0.000164 -0.000392 -0.001213 404 F 35 XZ 0.007137 -0.001888 0.001510 0.010681 -0.008510 405 F 35 YZ 0.002225 0.000021 0.000321 0.000818 0.001243 406 F 36 S -0.008854 0.011752 0.002840 -0.021296 0.003777 407 F 36 S -0.026875 0.044368 0.000497 -0.049119 0.002109 408 F 36 S -0.005605 0.010614 -0.078458 0.124935 -0.003608 409 F 36 X -0.079837 0.024978 -0.002073 -0.114666 0.089973 410 F 36 Y -0.075451 0.026358 0.033476 -0.004277 -0.040914 411 F 36 Z -0.000960 -0.009948 0.021998 -0.030922 0.017678 412 F 36 X 0.028794 -0.002887 -0.010387 0.065907 -0.040361 413 F 36 Y 0.061722 -0.023270 -0.010200 0.001016 0.038558 414 F 36 Z -0.031602 0.107956 -0.039548 0.020487 -0.056758 415 F 36 XX 0.000017 0.002094 0.001119 -0.001797 -0.002999 416 F 36 YY 0.002728 -0.001966 0.000591 0.008059 -0.005814 417 F 36 ZZ -0.002745 -0.000128 -0.001710 -0.006262 0.008813 418 F 36 XY 0.004198 -0.001288 -0.001617 -0.002110 0.005572 419 F 36 XZ 0.006526 -0.000592 0.000978 0.009121 -0.009474 420 F 36 YZ 0.009821 -0.003786 -0.002802 0.000254 0.006258 421 C 37 S 0.007989 -0.057253 -0.021749 0.053829 0.011232 422 C 37 S 0.019889 -0.125136 -0.040726 0.105514 0.028027 423 C 37 S -0.742636 1.092591 -1.013241 -0.000712 0.871791 424 C 37 X 0.049222 0.028243 -0.038530 -0.006165 0.017242 425 C 37 Y 0.095762 -0.055124 0.170612 -0.057429 -0.175858 426 C 37 Z 0.085882 0.000386 -0.140207 -0.036318 -0.006160 427 C 37 X -0.089476 0.192675 0.137665 0.480492 -0.103407 428 C 37 Y -0.927693 1.841734 -1.457705 1.073572 1.729797 429 C 37 Z -0.316945 0.285787 0.024084 0.272962 0.260644 430 C 37 XX 0.035925 -0.045419 0.012600 -0.009657 0.018623 431 C 37 YY -0.043705 0.082467 -0.072750 0.077130 0.074716 432 C 37 ZZ 0.007780 -0.037048 0.060150 -0.067472 -0.093340 433 C 37 XY 0.080895 -0.075641 0.054676 -0.086019 -0.034451 434 C 37 XZ -0.069191 -0.035340 -0.028795 0.015595 -0.051613 435 C 37 YZ -0.025233 -0.023098 -0.077136 0.003320 -0.011329 436 S 38 S -0.010620 -0.009178 0.037944 -0.010556 -0.004477 437 S 38 S -0.078974 -0.069050 0.279409 -0.076037 -0.032450 438 S 38 S -0.112666 -0.102304 0.395147 -0.098035 -0.038738 439 S 38 S 0.013789 -0.245957 -0.361942 0.130352 -0.022060 440 S 38 X -0.012443 -0.031078 0.020727 -0.029708 0.023880 441 S 38 Y 0.009771 0.011765 -0.019693 0.000452 0.013827 442 S 38 Z 0.008719 0.004489 -0.006976 0.002687 0.002806 443 S 38 X -0.031873 -0.100891 0.088571 -0.159436 0.085100 444 S 38 Y 0.046068 0.042476 -0.079466 -0.016711 0.026388 445 S 38 Z 0.029981 0.015657 -0.033015 0.008890 -0.001053 446 S 38 X 0.192848 0.021664 -0.100598 -0.074202 -0.558021 447 S 38 Y 0.214199 -0.098027 0.209648 -0.160495 -0.450818 448 S 38 Z -0.174934 -0.043281 0.233070 -0.000992 -0.136395 449 S 38 XX 0.160817 0.052208 -0.119277 -0.060462 -0.288402 450 S 38 YY -0.104297 0.015920 0.013284 0.062400 0.363059 451 S 38 ZZ -0.056520 -0.068128 0.105992 -0.001938 -0.074657 452 S 38 XY 0.054186 -0.140193 -0.048116 0.157702 0.088321 453 S 38 XZ -0.012601 -0.009200 -0.012670 0.013606 -0.014685 454 S 38 YZ 0.157365 0.035211 -0.109264 0.025486 0.146900 455 S 38 XX 0.023649 0.008233 -0.018008 -0.010485 -0.038938 456 S 38 YY -0.014574 0.002441 0.001907 0.009039 0.050066 457 S 38 ZZ -0.009076 -0.010673 0.016101 0.001445 -0.011129 458 S 38 XY 0.005195 -0.019773 -0.009716 0.020275 0.013789 459 S 38 XZ -0.001419 -0.001080 -0.002683 0.001858 -0.001578 460 S 38 YZ 0.021212 0.005513 -0.012745 0.003924 0.020420 461 H 39 S 0.027346 -0.148536 -0.025010 -0.138520 0.055741 462 H 39 S 0.015080 0.157761 -0.169943 -0.049761 0.068664 463 H 39 X -0.013533 -0.002879 0.001426 -0.029671 0.001263 464 H 39 Y -0.005882 0.030943 -0.046540 -0.004857 0.058872 465 H 39 Z -0.059190 -0.012218 -0.013968 0.029693 -0.020202 231 232 233 234 235 1.2301 1.2415 1.2505 1.2587 1.2735 A A A A A 1 C 1 S 0.015590 0.184241 0.049817 0.157297 -0.079000 2 C 1 S 0.042033 0.424579 0.117862 0.301474 -0.216471 3 C 1 S 0.680891 -0.827595 0.216491 -2.248204 -0.130626 4 C 1 X -0.001894 -0.104673 0.003333 -0.223277 0.107167 5 C 1 Y 0.067422 0.083703 0.160542 -0.359917 -0.163508 6 C 1 Z 0.034475 0.041153 -0.042591 -0.017943 0.008081 7 C 1 X -0.471894 0.889942 -0.087341 0.844244 -1.072489 8 C 1 Y 0.197866 0.537999 -0.727685 2.544289 0.006424 9 C 1 Z -0.060338 -0.115888 0.200573 0.152984 -0.022303 10 C 1 XX 0.090538 -0.005197 0.087710 -0.126708 -0.017400 11 C 1 YY -0.000812 0.061272 -0.012493 0.110096 -0.018124 12 C 1 ZZ -0.089727 -0.056074 -0.075217 0.016612 0.035524 13 C 1 XY -0.041494 -0.021188 0.019318 -0.055640 -0.011522 14 C 1 XZ -0.011550 0.032059 -0.097684 -0.008400 0.033675 15 C 1 YZ -0.050529 0.023383 -0.031214 0.024176 0.001616 16 C 2 S 0.024197 -0.059782 0.074510 -0.222669 0.002406 17 C 2 S 0.028967 -0.161841 0.154606 -0.501493 0.032157 18 C 2 S -0.723775 -0.369792 -0.829348 0.722161 0.775487 19 C 2 X 0.165554 -0.005250 0.074318 -0.081364 0.033111 20 C 2 Y -0.094317 -0.041050 -0.044128 0.018789 -0.009622 21 C 2 Z 0.070227 -0.035956 0.041593 0.033891 -0.007845 22 C 2 X -1.321774 0.080478 -0.346659 0.834107 -0.193199 23 C 2 Y -0.618814 -1.685582 0.067503 -2.285282 1.365422 24 C 2 Z -0.006716 0.028933 -0.128891 -0.290028 0.122899 25 C 2 XX 0.007895 0.079316 0.035998 0.028736 -0.070312 26 C 2 YY 0.059442 -0.074055 0.013765 -0.057648 0.074964 27 C 2 ZZ -0.067336 -0.005262 -0.049763 0.028912 -0.004652 28 C 2 XY -0.053969 -0.055906 0.038161 -0.095987 0.000397 29 C 2 XZ -0.025279 -0.019434 0.005473 -0.018868 -0.003786 30 C 2 YZ -0.109537 0.110495 -0.122138 -0.016881 0.039844 31 C 3 S 0.175962 -0.056212 -0.123019 0.007195 0.149383 32 C 3 S 0.396440 -0.125291 -0.275385 0.023582 0.332188 33 C 3 S 0.586765 0.619713 0.400167 1.261551 -0.557166 34 C 3 X 0.128008 0.129527 0.091515 0.075597 -0.143945 35 C 3 Y 0.009368 -0.062327 -0.020293 -0.037266 0.049768 36 C 3 Z 0.013893 0.063128 0.058223 -0.079232 -0.049676 37 C 3 X -0.235033 0.577652 -0.679614 -1.032197 -0.685409 38 C 3 Y -0.039969 -1.889112 -0.757773 -1.682172 2.067132 39 C 3 Z -0.310171 -0.426750 -0.089548 0.102249 0.112308 40 C 3 XX 0.091653 0.010624 0.019416 0.078728 -0.008403 41 C 3 YY 0.061120 0.003316 -0.066087 -0.016278 0.053710 42 C 3 ZZ -0.152773 -0.013940 0.046671 -0.062450 -0.045307 43 C 3 XY -0.062438 -0.025897 -0.071721 0.031773 0.016513 44 C 3 XZ -0.007980 0.090754 -0.137217 -0.050191 0.010481 45 C 3 YZ 0.077327 -0.101137 0.056021 0.016473 -0.009091 46 C 4 S -0.032247 -0.057248 0.039954 -0.051202 -0.042190 47 C 4 S -0.127472 -0.136401 0.083598 -0.073511 -0.046532 48 C 4 S -0.565159 0.102075 -0.185481 1.664127 0.734902 49 C 4 X -0.113859 -0.037723 0.101672 0.030399 0.024918 50 C 4 Y 0.281791 0.055197 0.043459 -0.065366 -0.012331 51 C 4 Z -0.055037 0.013947 -0.001654 0.008025 0.002043 52 C 4 X -0.109366 -0.600242 -0.570410 -0.032899 0.536641 53 C 4 Y -0.701817 0.019801 -0.693113 -0.010007 0.010190 54 C 4 Z 1.005657 0.506727 -0.493122 -0.200097 0.049259 55 C 4 XX 0.038005 0.001991 -0.028056 0.045123 0.012665 56 C 4 YY 0.000638 0.006747 0.042536 -0.024446 -0.034734 57 C 4 ZZ -0.038643 -0.008739 -0.014481 -0.020677 0.022069 58 C 4 XY 0.038225 -0.000430 -0.039574 0.056895 0.015376 59 C 4 XZ 0.037705 0.019023 0.022399 -0.022227 0.026454 60 C 4 YZ -0.001574 0.009961 0.052699 0.031471 -0.013861 61 S 5 S -0.041957 -0.001653 -0.025054 0.011362 0.000581 62 S 5 S -0.305872 -0.012871 -0.180579 0.076445 0.005361 63 S 5 S -0.410479 -0.025133 -0.237612 0.076247 0.017653 64 S 5 S 0.656982 -0.085827 0.697579 -1.193632 0.061521 65 S 5 X 0.044436 0.009990 0.007083 0.042586 0.007374 66 S 5 Y 0.009938 0.011585 0.002127 0.079458 0.052398 67 S 5 Z -0.011276 0.002473 0.018910 -0.012954 -0.012266 68 S 5 X 0.152239 0.045700 0.036267 0.176049 0.027715 69 S 5 Y 0.062276 0.067178 0.048383 0.277547 0.183988 70 S 5 Z -0.045235 0.016109 0.079220 -0.055802 -0.051666 71 S 5 X -0.471025 -0.136543 -0.263524 0.351553 0.075977 72 S 5 Y 0.023113 0.365493 -0.014243 -0.283519 -1.039317 73 S 5 Z 0.007162 0.043572 -0.124046 0.016060 0.019404 74 S 5 XX 0.283793 0.082554 -0.029678 -0.163410 -0.075227 75 S 5 YY -0.058593 -0.121760 0.021911 0.127972 0.101365 76 S 5 ZZ -0.225200 0.039206 0.007766 0.035439 -0.026138 77 S 5 XY -0.172799 -0.194437 -0.034786 0.181463 0.304480 78 S 5 XZ -0.004160 -0.014301 0.043988 0.020782 0.022567 79 S 5 YZ -0.024113 0.073001 -0.031964 0.043561 -0.014452 80 S 5 XX 0.042404 0.010285 -0.004596 -0.021686 -0.006925 81 S 5 YY -0.011427 -0.016571 0.001207 0.019829 0.009738 82 S 5 ZZ -0.030977 0.006286 0.003389 0.001857 -0.002813 83 S 5 XY -0.023900 -0.026451 -0.007313 0.030168 0.041381 84 S 5 XZ -0.002650 -0.001557 0.007548 0.001502 0.001964 85 S 5 YZ -0.001830 0.010749 -0.007069 0.006995 -0.000285 86 H 6 S -0.426282 -0.339911 -0.050909 -0.345702 0.154202 87 H 6 S -0.383045 -0.421785 -0.008484 -0.582573 0.341672 88 H 6 X 0.008003 0.026484 -0.034408 0.037840 0.000196 89 H 6 Y 0.035309 0.015034 0.047303 -0.028855 -0.025495 90 H 6 Z 0.077815 -0.022900 0.021045 -0.004368 -0.005377 91 C 7 S -0.092286 0.039742 0.030765 0.090024 -0.276331 92 C 7 S -0.186262 0.052728 0.005885 0.202725 -0.661117 93 C 7 S -0.419898 -1.018197 -1.791097 -0.227505 -0.251567 94 C 7 X 0.002626 -0.184499 -0.027459 -0.112822 -0.050928 95 C 7 Y 0.084963 -0.217533 -0.219820 0.064240 -0.247165 96 C 7 Z -0.007629 0.058012 -0.026806 0.128708 -0.050127 97 C 7 X 0.558204 1.993479 -0.205627 -0.429094 0.962196 98 C 7 Y 0.741044 0.145181 -0.206623 -0.703355 0.099502 99 C 7 Z -0.271022 -0.675528 -0.046504 -0.058800 0.229229 100 C 7 XX -0.035977 -0.025534 0.006625 0.102234 0.015882 101 C 7 YY -0.053098 0.010755 0.034045 0.013298 -0.100226 102 C 7 ZZ 0.089074 0.014778 -0.040670 -0.115532 0.084344 103 C 7 XY -0.008854 -0.030137 0.066291 -0.028744 -0.011013 104 C 7 XZ 0.022308 -0.027369 0.034076 0.052590 0.133123 105 C 7 YZ 0.035507 -0.062421 -0.002273 0.075073 0.017314 106 C 8 S -0.160864 0.007588 0.061113 -0.027364 -0.153391 107 C 8 S -0.347418 0.020311 0.103647 -0.117466 -0.301543 108 C 8 S 1.334576 -0.063435 0.119076 -0.444757 2.071794 109 C 8 X -0.061161 -0.118464 -0.068688 0.229199 -0.170777 110 C 8 Y 0.059268 0.010275 -0.023884 0.101159 0.030235 111 C 8 Z 0.052310 0.029232 0.036029 0.014113 0.045993 112 C 8 X 1.023391 0.694578 1.278854 -0.180821 0.838342 113 C 8 Y -0.396966 0.641181 0.239606 -0.788078 -0.440431 114 C 8 Z -0.210650 -0.037127 -0.042393 -0.031188 -0.171035 115 C 8 XX -0.018345 0.006572 0.009196 -0.009958 -0.046996 116 C 8 YY -0.014055 0.030468 0.089202 0.059087 0.081337 117 C 8 ZZ 0.032401 -0.037040 -0.098398 -0.049129 -0.034341 118 C 8 XY -0.061038 -0.027204 -0.055859 0.000087 -0.092340 119 C 8 XZ -0.007975 -0.048203 -0.013074 0.000484 0.012722 120 C 8 YZ 0.057289 0.036317 0.053454 -0.007578 0.043399 121 C 9 S 0.027647 -0.048758 -0.067403 -0.067410 0.039067 122 C 9 S 0.052006 -0.112000 -0.123362 -0.135768 0.087280 123 C 9 S -0.227740 -0.742091 0.527946 0.423051 -0.715378 124 C 9 X 0.009702 0.031942 0.049118 -0.082376 -0.116287 125 C 9 Y 0.038426 0.025453 -0.096495 0.023551 0.111930 126 C 9 Z -0.063764 -0.075280 -0.132197 -0.015359 -0.011994 127 C 9 X -0.249631 0.329756 -0.892232 0.278292 0.433981 128 C 9 Y -1.236615 -1.011926 0.423624 0.395835 0.087117 129 C 9 Z 0.256580 -0.146070 0.761246 -0.389795 -0.261426 130 C 9 XX -0.056853 -0.024819 -0.031479 0.016830 -0.032995 131 C 9 YY 0.045464 0.022609 -0.014029 0.013921 0.049605 132 C 9 ZZ 0.011389 0.002210 0.045508 -0.030751 -0.016610 133 C 9 XY -0.008738 0.017999 0.026902 -0.003635 0.043611 134 C 9 XZ 0.016436 0.035287 -0.091159 0.017556 0.031619 135 C 9 YZ -0.030082 -0.011374 -0.032488 0.059017 0.053577 136 C 10 S -0.089443 -0.008635 0.116964 0.004052 -0.108894 137 C 10 S -0.194747 -0.020112 0.244511 -0.033807 -0.213383 138 C 10 S 0.943052 0.633079 -1.462414 -2.071143 2.135164 139 C 10 X -0.120253 -0.011322 0.028117 -0.144004 -0.025078 140 C 10 Y 0.055478 0.047109 0.000656 0.034395 0.074346 141 C 10 Z -0.006178 -0.089308 0.062248 0.047209 0.089586 142 C 10 X 1.756927 0.152162 -0.532491 -0.007944 1.193739 143 C 10 Y -0.188021 1.505021 1.705762 0.204452 -0.152068 144 C 10 Z -0.010508 0.142659 0.081099 0.044195 -0.582929 145 C 10 XX -0.005818 0.121176 0.093423 -0.005249 -0.023362 146 C 10 YY -0.030148 -0.051542 -0.060267 -0.008387 -0.013038 147 C 10 ZZ 0.035966 -0.069635 -0.033157 0.013637 0.036400 148 C 10 XY -0.014277 0.074880 0.026006 0.032815 -0.059658 149 C 10 XZ -0.009101 0.153230 -0.154966 -0.107660 -0.041446 150 C 10 YZ 0.050906 -0.056019 0.106627 -0.030298 -0.142244 151 C 11 S 0.091372 0.021628 -0.054258 0.007729 -0.018976 152 C 11 S 0.205950 0.094248 -0.087095 0.012350 -0.055169 153 C 11 S -0.694184 1.692966 1.329250 -0.632059 -0.887968 154 C 11 X 0.087013 0.096068 0.067736 -0.080984 -0.035067 155 C 11 Y -0.083841 -0.077313 -0.138481 -0.131350 0.265961 156 C 11 Z -0.048475 -0.046534 0.009983 -0.022320 -0.030090 157 C 11 X -1.403611 0.723633 -0.000502 0.944285 -2.032650 158 C 11 Y -0.044779 1.112186 2.026041 2.085373 -1.521046 159 C 11 Z 0.103202 0.269086 -0.022315 -0.001312 0.023347 160 C 11 XX 0.028960 0.036045 -0.027172 -0.022298 0.028524 161 C 11 YY -0.000398 -0.012072 0.026871 0.032855 -0.045976 162 C 11 ZZ -0.028562 -0.023973 0.000300 -0.010557 0.017451 163 C 11 XY 0.027227 0.040987 0.036084 0.018132 -0.034430 164 C 11 XZ 0.044922 -0.011040 0.038045 0.030907 0.038301 165 C 11 YZ -0.034420 0.023915 -0.093585 0.016318 0.142772 166 C 12 S 0.074950 -0.033058 -0.041975 -0.060370 0.080480 167 C 12 S 0.143348 -0.096019 -0.100303 -0.126468 0.182258 168 C 12 S 0.157514 -0.653603 0.035329 0.336464 0.520962 169 C 12 X 0.098267 -0.115209 -0.046644 -0.021869 0.093969 170 C 12 Y 0.003485 -0.045641 0.088372 0.015889 -0.047688 171 C 12 Z -0.198044 0.318923 -0.097790 -0.113656 0.013076 172 C 12 X 0.440031 0.187238 -0.787724 0.414997 -0.228748 173 C 12 Y 0.442339 -0.076746 -0.501192 0.287686 -0.350300 174 C 12 Z -0.246599 0.252550 -0.150433 -0.164242 0.308374 175 C 12 XX 0.074513 -0.005282 0.021904 0.063744 -0.020605 176 C 12 YY 0.132144 -0.200097 0.032016 0.002584 -0.059062 177 C 12 ZZ -0.206657 0.205379 -0.053919 -0.066328 0.079667 178 C 12 XY 0.024823 -0.032122 -0.113168 -0.031328 -0.006147 179 C 12 XZ 0.009312 -0.139908 0.161228 0.090411 0.046584 180 C 12 YZ -0.113238 0.190982 0.045000 -0.088215 0.025942 181 C 13 S -0.014427 -0.171151 0.036144 -0.114761 0.198492 182 C 13 S -0.024521 -0.317691 0.069584 -0.224094 0.392423 183 C 13 S 0.036249 1.638342 -0.436293 1.064402 -1.657245 184 C 13 X 0.016933 -0.169221 -0.016345 0.027956 0.103775 185 C 13 Y 0.003989 -0.017770 -0.004443 0.030406 -0.032910 186 C 13 Z -0.044783 0.232756 -0.022678 -0.104739 0.115645 187 C 13 X 0.084110 0.233551 0.103478 0.102932 -0.316428 188 C 13 Y 0.429939 -0.055891 -0.627418 -0.240068 0.246960 189 C 13 Z 0.004428 0.264801 -0.211168 0.224717 -0.346673 190 C 13 XX -0.024102 0.169513 -0.000908 -0.091429 0.000600 191 C 13 YY -0.054467 0.011573 -0.008663 -0.001388 0.102374 192 C 13 ZZ 0.078569 -0.181087 0.009571 0.092817 -0.102974 193 C 13 XY -0.042347 0.017865 0.034417 -0.022763 0.033656 194 C 13 XZ 0.008009 -0.229793 0.073709 -0.013056 0.024100 195 C 13 YZ 0.183000 0.016569 -0.145494 -0.008657 -0.055319 196 C 14 S -0.039501 0.083367 0.078710 -0.065512 -0.016033 197 C 14 S -0.076506 0.163789 0.163180 -0.122907 -0.051297 198 C 14 S -0.230858 -0.448852 -0.280048 1.078444 -0.760798 199 C 14 X -0.010693 0.032158 0.106560 0.046604 -0.084073 200 C 14 Y -0.134076 0.074163 -0.079217 0.049173 -0.045429 201 C 14 Z 0.085476 0.114438 -0.141650 0.063622 0.091306 202 C 14 X -0.637692 0.446133 0.276300 1.079149 -1.004071 203 C 14 Y 0.357646 -0.429855 -0.212028 -0.348975 0.378237 204 C 14 Z 0.106923 0.041026 0.034308 0.015999 0.043620 205 C 14 XX -0.034814 0.022546 0.023227 0.034470 0.001878 206 C 14 YY -0.024478 -0.069936 0.089232 -0.008224 -0.019142 207 C 14 ZZ 0.059292 0.047391 -0.112459 -0.026245 0.017264 208 C 14 XY 0.072372 0.055892 -0.010138 0.007821 -0.051877 209 C 14 XZ 0.050148 0.070455 -0.050895 -0.069984 -0.115686 210 C 14 YZ -0.103369 -0.144832 0.118303 -0.018172 -0.071901 211 F 15 S 0.008679 -0.023066 0.007236 -0.002419 0.011248 212 F 15 S 0.075246 -0.109310 0.034618 0.015064 0.010216 213 F 15 S 0.268734 -0.154238 0.038617 0.111710 -0.176450 214 F 15 X -0.028017 0.005503 -0.010033 -0.032707 0.040687 215 F 15 Y 0.039798 -0.008968 0.005785 0.037093 -0.063303 216 F 15 Z 0.109359 -0.097101 0.021862 0.043742 -0.064998 217 F 15 X 0.115288 -0.109601 0.075628 0.028198 -0.039049 218 F 15 Y -0.107556 0.030755 -0.007455 -0.067093 0.084361 219 F 15 Z -0.364093 0.374134 -0.118417 -0.167130 0.151169 220 F 15 XX -0.003118 -0.000719 0.006124 0.002536 -0.000122 221 F 15 YY 0.005354 -0.005905 -0.002405 0.004037 -0.002702 222 F 15 ZZ -0.002236 0.006624 -0.003718 -0.006572 0.002824 223 F 15 XY 0.001726 0.004954 -0.003390 0.001627 -0.004751 224 F 15 XZ 0.004302 -0.000762 0.000897 0.001358 -0.005335 225 F 15 YZ 0.001669 -0.003086 -0.006814 0.002041 -0.002478 226 F 16 S -0.001118 0.007931 -0.004685 0.000181 0.007060 227 F 16 S -0.033487 0.070459 -0.021437 -0.023764 0.037648 228 F 16 S -0.191827 0.269586 -0.011954 -0.172702 0.117113 229 F 16 X 0.050536 -0.085584 0.039939 0.024165 0.000838 230 F 16 Y -0.075250 0.083145 0.035291 -0.013599 0.011823 231 F 16 Z -0.000067 -0.017799 0.020637 0.028941 -0.059165 232 F 16 X -0.111599 0.132709 0.030908 -0.084880 0.087609 233 F 16 Y 0.184249 -0.340491 0.067462 0.116205 -0.052412 234 F 16 Z -0.078019 0.146241 -0.046086 -0.071471 0.074305 235 F 16 XX 0.000677 -0.000622 -0.002553 -0.001940 -0.002051 236 F 16 YY -0.001361 -0.002355 0.003060 0.002564 0.004423 237 F 16 ZZ 0.000684 0.002978 -0.000507 -0.000625 -0.002372 238 F 16 XY -0.002587 0.005021 0.008351 0.001197 0.002069 239 F 16 XZ 0.005157 -0.001540 -0.005937 0.000185 -0.002162 240 F 16 YZ -0.002441 0.004174 -0.005941 0.002596 -0.002039 241 F 17 S 0.001419 0.009294 0.000008 0.007091 -0.000914 242 F 17 S 0.025038 0.048978 -0.011306 0.015191 0.018223 243 F 17 S 0.149225 0.086140 -0.030209 -0.112565 0.154057 244 F 17 X -0.004190 0.050876 0.003670 0.029208 -0.078912 245 F 17 Y -0.043965 -0.043867 0.068639 -0.000927 -0.053391 246 F 17 Z -0.021239 -0.050427 -0.016454 -0.008926 -0.004232 247 F 17 X 0.099789 -0.000099 0.000816 -0.074589 0.088537 248 F 17 Y 0.078590 0.180039 -0.120667 0.035515 0.122691 249 F 17 Z 0.079164 0.131892 -0.065973 -0.016110 0.092910 250 F 17 XX -0.002058 -0.003639 -0.004268 -0.002111 0.006883 251 F 17 YY 0.002370 0.002634 -0.000445 -0.003001 -0.004268 252 F 17 ZZ -0.000312 0.001006 0.004712 0.005113 -0.002615 253 F 17 XY -0.007396 -0.008246 0.001650 -0.000047 0.008146 254 F 17 XZ -0.006004 -0.001456 0.003071 0.002636 0.000411 255 F 17 YZ 0.003520 -0.002330 0.007785 -0.006500 0.000329 256 F 18 S -0.000880 -0.003920 0.011830 0.002368 -0.009414 257 F 18 S -0.025923 -0.016934 0.059780 0.000898 -0.044163 258 F 18 S -0.122943 0.013537 0.119921 -0.052866 -0.071201 259 F 18 X 0.038314 -0.000691 0.034456 0.060749 -0.026227 260 F 18 Y -0.001655 0.017947 -0.044901 0.023386 0.015981 261 F 18 Z -0.041721 -0.004729 0.071322 0.030004 -0.078591 262 F 18 X -0.046329 -0.049579 0.040201 -0.097201 0.026702 263 F 18 Y -0.086097 0.009878 0.109674 0.010326 -0.097359 264 F 18 Z 0.145921 0.064648 -0.203458 0.023744 0.159996 265 F 18 XX 0.000619 -0.000415 -0.005756 -0.005301 0.001995 266 F 18 YY -0.004229 -0.002778 0.003575 0.003353 -0.004256 267 F 18 ZZ 0.003610 0.003193 0.002180 0.001948 0.002261 268 F 18 XY 0.005020 0.000625 -0.001334 -0.006651 0.003493 269 F 18 XZ -0.000937 -0.005810 0.002907 0.000426 0.002750 270 F 18 YZ 0.000782 0.001702 0.001021 0.000618 -0.001625 271 C 19 S -0.074178 -0.053115 -0.145321 -0.033398 -0.118272 272 C 19 S -0.161020 -0.122127 -0.315304 -0.067593 -0.253433 273 C 19 S -0.023991 -0.350899 0.078627 0.743166 0.058789 274 C 19 X -0.005102 0.056226 0.067548 -0.069468 0.093075 275 C 19 Y 0.069441 0.095414 0.145403 -0.023771 0.089910 276 C 19 Z -0.024090 0.000094 -0.001246 0.008052 -0.001579 277 C 19 X -0.053736 0.033375 0.013602 0.043002 -0.188126 278 C 19 Y 0.227101 0.145147 0.112675 -0.282522 0.289853 279 C 19 Z 0.174250 0.118336 0.114980 -0.096145 0.098682 280 C 19 XX -0.010978 0.000507 0.013577 -0.009824 0.016050 281 C 19 YY -0.004011 0.018850 0.010055 0.047431 -0.034181 282 C 19 ZZ 0.014989 -0.019357 -0.023632 -0.037607 0.018131 283 C 19 XY -0.037091 -0.034776 -0.034637 0.003492 -0.038865 284 C 19 XZ -0.079790 -0.029756 -0.029235 0.033475 -0.043140 285 C 19 YZ -0.044166 -0.002450 -0.008565 0.030099 -0.038016 286 H 20 S 0.002370 -0.023835 -0.124491 -0.053412 -0.027243 287 H 20 S 0.001934 -0.011877 -0.040170 -0.136050 0.043794 288 H 20 X 0.015227 -0.010180 0.000096 0.020945 -0.013084 289 H 20 Y -0.021025 -0.047821 -0.056060 -0.023240 -0.045136 290 H 20 Z -0.027250 -0.006489 -0.010291 0.009428 -0.020318 291 H 21 S -0.032538 -0.011220 -0.047663 0.026859 -0.090813 292 H 21 S -0.050038 0.031317 -0.033885 -0.021377 -0.077394 293 H 21 X 0.024570 0.014468 0.026542 0.010309 0.012754 294 H 21 Y 0.014091 0.024127 0.017799 0.012566 0.014307 295 H 21 Z 0.021774 0.019473 0.012548 -0.001667 0.009862 296 C 22 S -0.054366 0.059010 -0.101190 0.169966 -0.027415 297 C 22 S -0.108244 0.125903 -0.212888 0.372174 -0.056058 298 C 22 S 0.354241 -0.076507 0.058921 0.872330 0.511183 299 C 22 X -0.031791 -0.058742 0.059814 -0.120128 0.035950 300 C 22 Y -0.044420 -0.004369 -0.069516 0.215088 0.087082 301 C 22 Z -0.021946 -0.010073 0.025696 0.027187 -0.015511 302 C 22 X 0.079845 -0.153570 0.029147 -0.686904 -0.078976 303 C 22 Y 0.104477 0.004587 -0.136815 0.325470 0.098044 304 C 22 Z 0.078798 0.067726 -0.200822 -0.001731 0.093812 305 C 22 XX -0.027562 -0.029405 0.067540 -0.064437 -0.010525 306 C 22 YY 0.014637 0.044882 -0.041599 0.116107 0.003109 307 C 22 ZZ 0.012925 -0.015477 -0.025941 -0.051670 0.007415 308 C 22 XY 0.032259 -0.001133 0.006403 -0.076929 -0.016270 309 C 22 XZ 0.001422 0.003310 -0.016903 -0.003006 0.003974 310 C 22 YZ 0.046249 0.037869 -0.077673 -0.013764 0.034833 311 H 23 S -0.072387 -0.017388 -0.112477 0.036403 0.007888 312 H 23 S 0.048683 -0.020420 -0.069309 -0.104440 -0.062754 313 H 23 X 0.006461 0.022367 -0.057518 0.068409 -0.008035 314 H 23 Y 0.009994 0.011516 0.047061 -0.061317 -0.038556 315 H 23 Z -0.018310 -0.004726 0.016214 0.003757 -0.009566 316 H 24 S -0.038631 0.034030 -0.028632 0.157265 0.011483 317 H 24 S -0.064517 0.047670 0.017317 0.163765 -0.077459 318 H 24 X -0.002722 -0.006644 0.013980 -0.023296 -0.005045 319 H 24 Y 0.011760 0.010088 -0.051278 -0.028084 0.001483 320 H 24 Z 0.020181 0.017694 -0.027864 0.027287 0.006392 321 H 25 S -0.031375 0.041957 -0.085404 0.139859 0.033259 322 H 25 S -0.021080 0.093894 -0.122250 0.148292 -0.017070 323 H 25 X -0.016179 -0.012535 0.016259 -0.024957 -0.003734 324 H 25 Y -0.024534 -0.015661 0.019000 0.001032 -0.027429 325 H 25 Z -0.012509 -0.013569 0.008136 -0.035448 0.004377 326 C 26 S 0.018692 0.044688 0.033097 0.093179 0.026620 327 C 26 S 0.034119 0.088952 0.060306 0.181350 0.044164 328 C 26 S -0.083391 -0.385043 0.279584 -0.720143 -0.191669 329 C 26 X -0.039939 -0.003907 -0.029601 -0.022575 -0.054047 330 C 26 Y 0.052396 -0.044709 -0.082167 0.045026 0.072923 331 C 26 Z -0.030329 -0.052511 0.084035 0.000934 0.012244 332 C 26 X 0.317946 0.136150 0.117373 0.003983 0.062664 333 C 26 Y 0.017665 0.291006 0.169539 -0.309728 -0.211968 334 C 26 Z 0.090377 -0.103680 -0.040419 -0.139266 0.035545 335 C 26 XX 0.000119 -0.011321 -0.018619 0.012939 -0.019842 336 C 26 YY -0.015988 -0.015321 -0.025473 -0.003329 0.007705 337 C 26 ZZ 0.015869 0.026642 0.044092 -0.009610 0.012137 338 C 26 XY -0.006042 -0.011168 -0.000860 0.013953 0.019167 339 C 26 XZ -0.021462 -0.029344 0.073015 -0.020347 -0.075674 340 C 26 YZ -0.025679 -0.030452 0.016242 -0.016316 -0.033723 341 H 27 S 0.059465 0.055595 0.026510 0.041730 0.057810 342 H 27 S 0.209450 0.251391 0.057503 -0.015289 0.020383 343 H 27 X 0.002214 0.018439 0.003416 -0.007339 0.023357 344 H 27 Y 0.009540 -0.006941 0.005982 0.016859 -0.019564 345 H 27 Z -0.020222 0.018243 -0.017105 0.011406 -0.002968 346 H 28 S 0.068905 -0.045049 0.069512 0.151790 0.101840 347 H 28 S 0.043030 -0.121467 -0.196793 0.098099 0.065886 348 H 28 X 0.050078 -0.012264 -0.060937 0.016990 0.040295 349 H 28 Y -0.026051 -0.003325 0.023133 0.008112 -0.002602 350 H 28 Z -0.033350 0.016124 -0.014483 0.028836 -0.005304 351 H 29 S -0.071982 -0.044218 0.124798 0.038934 0.012251 352 H 29 S -0.135281 0.027698 -0.129398 0.036537 -0.050998 353 H 29 X 0.026630 0.008689 0.008088 -0.007207 0.025494 354 H 29 Y -0.008246 0.054710 0.003120 0.003507 0.029618 355 H 29 Z 0.035619 0.012903 0.001987 -0.009353 -0.024139 356 C 30 S 0.010861 0.005119 -0.063144 0.128509 0.131560 357 C 30 S 0.032643 0.003655 -0.127092 0.265355 0.257433 358 C 30 S -0.476187 -0.326524 0.640716 -0.709565 -0.779979 359 C 30 X -0.008584 0.051398 0.041093 -0.008198 -0.004122 360 C 30 Y 0.119102 -0.054996 -0.015691 -0.045215 0.053743 361 C 30 Z 0.039221 0.029619 0.020240 -0.010699 -0.042633 362 C 30 X -0.192008 -0.087595 0.020579 0.004075 -0.197322 363 C 30 Y -0.129030 0.101492 -0.091045 0.113429 -0.174984 364 C 30 Z 0.220631 0.096657 -0.290879 0.057564 0.260271 365 C 30 XX -0.020002 0.003353 -0.024962 0.008266 -0.005831 366 C 30 YY 0.058531 0.017907 0.025542 -0.018822 -0.006182 367 C 30 ZZ -0.038529 -0.021260 -0.000579 0.010556 0.012013 368 C 30 XY 0.022020 -0.011914 -0.020500 -0.009892 -0.022272 369 C 30 XZ -0.120550 -0.044559 0.002599 0.084165 0.014717 370 C 30 YZ 0.044960 -0.000934 0.023010 -0.021014 0.009563 371 H 31 S -0.137567 -0.032693 -0.142175 0.132592 0.093544 372 H 31 S 0.004765 0.128963 0.051502 0.059892 -0.094555 373 H 31 X -0.050977 -0.011659 0.015515 0.057538 0.002361 374 H 31 Y -0.056088 0.008598 -0.016180 0.020119 -0.016940 375 H 31 Z -0.088337 -0.016629 -0.037915 -0.012207 -0.006405 376 H 32 S -0.110830 0.058726 -0.014259 0.055260 0.100805 377 H 32 S -0.055856 -0.159372 0.025814 0.128308 -0.068048 378 H 32 X 0.023309 -0.018583 0.010165 -0.016685 0.019133 379 H 32 Y -0.031765 -0.008014 0.005911 -0.020900 0.024681 380 H 32 Z 0.038958 0.025020 0.044045 -0.054776 -0.049931 381 H 33 S 0.033100 0.038284 -0.034162 0.063980 0.166167 382 H 33 S 0.177313 0.048907 0.019505 0.068600 0.205414 383 H 33 X -0.047714 -0.006628 -0.012505 -0.011960 0.006076 384 H 33 Y 0.012491 0.005713 0.010845 0.008889 -0.031354 385 H 33 Z -0.020476 -0.008573 0.024195 0.032924 0.038579 386 H 34 S -0.066382 -0.040927 -0.069464 0.046528 -0.095837 387 H 34 S -0.136223 -0.055485 -0.115734 0.013815 -0.105590 388 H 34 X -0.039406 -0.007860 0.005112 0.041716 -0.016497 389 H 34 Y -0.008087 0.013026 0.009245 0.029732 0.011938 390 H 34 Z -0.007342 -0.009602 0.001001 -0.000696 -0.002639 391 F 35 S 0.001692 -0.009130 0.001039 0.003761 -0.001210 392 F 35 S 0.013248 -0.081644 0.014380 0.011501 0.013122 393 F 35 S 0.051535 -0.325591 0.097202 -0.064832 0.155321 394 F 35 X -0.026793 0.101255 -0.045886 -0.017393 -0.016114 395 F 35 Y -0.023420 -0.002472 0.054732 0.013602 -0.000896 396 F 35 Z -0.000106 -0.105160 0.023540 -0.048501 0.082463 397 F 35 X 0.066179 -0.454221 0.090230 0.040562 0.113742 398 F 35 Y -0.011039 -0.044244 0.015842 -0.001924 0.013197 399 F 35 Z -0.019809 0.168074 -0.016236 0.015322 -0.079131 400 F 35 XX -0.001179 0.005794 0.000794 -0.001763 0.001822 401 F 35 YY 0.001381 -0.000924 -0.001702 0.000342 0.000977 402 F 35 ZZ -0.000201 -0.004870 0.000908 0.001421 -0.002799 403 F 35 XY 0.004503 0.003133 -0.004895 0.000158 -0.003886 404 F 35 XZ 0.001237 0.004104 -0.003316 0.006004 -0.004261 405 F 35 YZ -0.002030 0.001158 0.002909 0.000906 -0.000508 406 F 36 S 0.001567 -0.000570 0.000384 -0.011473 0.010694 407 F 36 S -0.007493 0.018600 -0.006636 -0.050424 0.054764 408 F 36 S -0.065383 0.022644 -0.035758 -0.083344 0.138995 409 F 36 X 0.012383 -0.104220 0.020074 -0.038935 0.039451 410 F 36 Y 0.053003 -0.022876 -0.035040 0.017498 0.016967 411 F 36 Z 0.036287 -0.045522 0.031827 0.053253 -0.071020 412 F 36 X -0.023529 0.048102 -0.022011 0.017964 0.002796 413 F 36 Y -0.027542 0.010598 0.049912 0.009222 -0.060145 414 F 36 Z -0.098012 0.190522 -0.060154 -0.189586 0.239949 415 F 36 XX -0.000669 0.005476 -0.000359 -0.000935 0.000028 416 F 36 YY 0.001330 0.005756 -0.002024 0.001483 -0.003003 417 F 36 ZZ -0.000661 -0.011232 0.002383 -0.000548 0.002976 418 F 36 XY -0.005542 0.000255 0.005549 -0.000192 -0.001091 419 F 36 XZ -0.000514 0.010968 -0.003253 0.002169 -0.001820 420 F 36 YZ -0.011825 0.003377 0.006371 -0.000471 0.003362 421 C 37 S 0.099873 0.085730 0.037106 0.017509 0.158178 422 C 37 S 0.224885 0.187311 0.098617 0.047539 0.323360 423 C 37 S -0.819536 0.163042 -0.224062 -0.765397 -1.976000 424 C 37 X 0.075430 0.032885 -0.051289 0.034617 0.062760 425 C 37 Y 0.035356 0.029414 0.196998 0.102455 0.150053 426 C 37 Z -0.015133 -0.020395 0.024484 0.024276 0.007357 427 C 37 X -1.018520 -0.543338 0.215034 0.327064 0.230541 428 C 37 Y -0.915131 -0.089118 -1.267995 -0.168423 -1.099745 429 C 37 Z -0.104203 0.052101 -0.215990 0.013203 -0.054946 430 C 37 XX 0.096791 0.078166 0.036185 0.026947 0.081495 431 C 37 YY -0.083678 0.003542 -0.004839 0.006482 -0.044326 432 C 37 ZZ -0.013113 -0.081708 -0.031346 -0.033429 -0.037169 433 C 37 XY 0.048354 -0.007872 -0.004036 0.022641 0.009699 434 C 37 XZ 0.033008 -0.008787 0.037827 -0.034704 0.035486 435 C 37 YZ -0.027916 -0.042877 0.017917 0.000452 -0.010517 436 S 38 S 0.014967 -0.040895 -0.107406 -0.067677 -0.028172 437 S 38 S 0.109904 -0.295731 -0.778970 -0.492078 -0.203765 438 S 38 S 0.155398 -0.387318 -1.035773 -0.658934 -0.257058 439 S 38 S -0.223230 0.889189 2.418330 1.358681 0.519151 440 S 38 X 0.004475 0.013015 -0.002906 -0.064802 0.032069 441 S 38 Y -0.001913 0.031022 0.037247 -0.005423 0.039777 442 S 38 Z 0.004385 0.000043 -0.000326 -0.000369 0.004185 443 S 38 X 0.015733 0.035162 -0.007357 -0.232289 0.114747 444 S 38 Y -0.010859 0.090919 0.115439 -0.012357 0.092810 445 S 38 Z 0.019748 0.007538 -0.003154 -0.005394 0.009816 446 S 38 X 0.158504 -0.117254 0.723017 0.677405 -0.333080 447 S 38 Y 0.334081 -0.506764 -0.879450 -0.256182 -0.438341 448 S 38 Z 0.057077 0.136968 0.027223 0.004202 -0.062667 449 S 38 XX 0.093097 -0.110065 0.015465 0.247006 -0.236163 450 S 38 YY -0.105029 0.243939 0.268474 -0.065613 0.428723 451 S 38 ZZ 0.011932 -0.133874 -0.283939 -0.181393 -0.192560 452 S 38 XY 0.034461 0.094381 -0.199901 -0.037654 0.078186 453 S 38 XZ 0.019756 -0.018705 0.001129 0.022178 -0.008799 454 S 38 YZ -0.000256 -0.165811 -0.016270 0.050857 0.106218 455 S 38 XX 0.012240 -0.020128 -0.003530 0.038157 -0.035188 456 S 38 YY -0.013722 0.036960 0.039951 -0.014247 0.063240 457 S 38 ZZ 0.001482 -0.016833 -0.036422 -0.023910 -0.028052 458 S 38 XY 0.003223 0.009780 -0.027739 -0.008154 0.007909 459 S 38 XZ 0.001920 -0.002721 -0.001017 0.003085 -0.003045 460 S 38 YZ 0.000658 -0.022432 -0.002691 0.007788 0.015019 461 H 39 S 0.214283 0.032297 -0.177168 -0.107941 -0.133494 462 H 39 S 0.440438 0.191456 -0.161319 0.017115 0.179587 463 H 39 X -0.019122 -0.019472 -0.008586 -0.018705 -0.058411 464 H 39 Y -0.021068 -0.007774 -0.051967 0.002626 -0.034028 465 H 39 Z 0.020294 0.001621 0.020311 -0.029926 0.034315 236 237 238 239 240 1.2890 1.3004 1.3070 1.3385 1.3416 A A A A A 1 C 1 S 0.091610 0.008072 -0.041342 0.056969 -0.076479 2 C 1 S 0.220455 -0.021838 -0.046053 0.130506 -0.181122 3 C 1 S -0.273654 -1.201910 0.972779 -0.421821 -0.210423 4 C 1 X -0.007518 0.017064 -0.042884 -0.087088 0.112262 5 C 1 Y 0.152199 -0.147836 0.061974 -0.001110 -0.021884 6 C 1 Z -0.044753 0.042783 0.035233 -0.016152 0.000102 7 C 1 X 0.418188 -0.128971 -0.019061 -0.058726 -0.223380 8 C 1 Y -0.473381 0.211295 1.172344 0.476900 -0.542017 9 C 1 Z 0.146939 -0.187166 0.002878 0.083411 -0.032058 10 C 1 XX -0.043713 -0.048625 -0.012807 -0.097878 0.015073 11 C 1 YY 0.015582 0.010023 -0.021910 0.037387 -0.028660 12 C 1 ZZ 0.028131 0.038602 0.034717 0.060491 0.013587 13 C 1 XY 0.030797 0.004153 0.000387 0.018786 0.012267 14 C 1 XZ -0.044508 0.034668 0.012532 -0.047875 -0.017231 15 C 1 YZ -0.019022 -0.024699 -0.025724 -0.077114 -0.030621 16 C 2 S -0.055511 -0.080348 -0.023801 -0.185995 0.069280 17 C 2 S -0.120315 -0.159125 -0.091120 -0.403359 0.164196 18 C 2 S 0.529453 1.029572 -0.287844 1.921906 0.241787 19 C 2 X -0.025452 0.001039 -0.051746 -0.061992 0.032719 20 C 2 Y 0.064968 0.023413 0.051844 0.095431 -0.080899 21 C 2 Z 0.016757 -0.028937 0.004182 0.035561 -0.002395 22 C 2 X 0.274153 0.989133 -0.303237 0.040789 0.763078 23 C 2 Y -0.033557 0.603419 -0.970246 0.155911 1.257706 24 C 2 Z -0.112109 0.142031 0.070580 -0.133466 0.029649 25 C 2 XX 0.012249 -0.043825 -0.035342 -0.055542 -0.005429 26 C 2 YY -0.071335 0.025292 -0.015597 0.019193 0.044551 27 C 2 ZZ 0.059085 0.018533 0.050938 0.036349 -0.039123 28 C 2 XY 0.000213 0.038864 -0.069753 -0.058941 0.072879 29 C 2 XZ 0.031025 -0.004930 -0.026629 0.034234 -0.014314 30 C 2 YZ -0.026862 0.037906 0.036651 -0.132901 -0.014282 31 C 3 S -0.121718 0.012995 0.058536 0.000287 -0.084456 32 C 3 S -0.249466 0.010902 0.138893 -0.011025 -0.202244 33 C 3 S 1.297796 0.168740 1.088768 0.981057 -0.207478 34 C 3 X -0.037409 0.036941 0.048243 0.168117 0.181397 35 C 3 Y -0.018676 -0.002849 -0.110245 -0.183783 0.000561 36 C 3 Z 0.039633 0.013559 0.090938 -0.042038 -0.010617 37 C 3 X 0.291784 -2.152835 -0.982443 -1.487022 -1.723316 38 C 3 Y 0.145816 0.343470 0.255012 1.653068 0.813995 39 C 3 Z 0.063965 -0.254336 -0.541653 0.263095 0.039634 40 C 3 XX -0.047409 -0.023387 -0.043779 0.021771 0.007464 41 C 3 YY -0.071192 -0.011781 0.070543 -0.000293 0.034636 42 C 3 ZZ 0.118601 0.035169 -0.026764 -0.021478 -0.042100 43 C 3 XY 0.034265 0.018540 -0.024339 -0.022076 0.007136 44 C 3 XZ 0.014002 0.021805 -0.051271 -0.020292 -0.122127 45 C 3 YZ 0.023742 -0.077725 -0.116532 0.058799 -0.046788 46 C 4 S 0.087064 -0.023292 0.008862 -0.046958 -0.021450 47 C 4 S 0.188849 -0.008381 0.037412 -0.082122 -0.034400 48 C 4 S -0.445544 0.971273 -0.088943 0.046545 0.452035 49 C 4 X -0.108707 -0.000236 0.117583 0.184832 -0.013044 50 C 4 Y -0.029189 -0.174365 0.121324 -0.084451 -0.029289 51 C 4 Z 0.033307 -0.027049 0.004793 -0.002998 0.062787 52 C 4 X 0.914408 -0.471481 -0.232150 0.309055 -0.265449 53 C 4 Y 0.167135 -0.420915 -1.454183 -0.386590 -0.532952 54 C 4 Z -0.422584 0.316144 0.091294 -0.254694 -0.212263 55 C 4 XX -0.036290 0.017486 0.028212 0.063719 0.034291 56 C 4 YY -0.013649 0.009371 -0.085379 -0.050695 -0.015511 57 C 4 ZZ 0.049939 -0.026856 0.057167 -0.013023 -0.018780 58 C 4 XY -0.054835 0.013359 -0.039271 -0.023138 -0.009340 59 C 4 XZ 0.047803 0.024882 0.040633 0.003994 0.062787 60 C 4 YZ -0.042046 0.000061 -0.012479 -0.044970 0.047733 61 S 5 S 0.062942 0.009272 0.062892 0.043858 -0.009217 62 S 5 S 0.459218 0.069741 0.454236 0.319331 -0.066176 63 S 5 S 0.619117 0.107361 0.594199 0.429184 -0.083304 64 S 5 S -1.071873 -0.034299 -1.652363 -0.911029 0.320959 65 S 5 X -0.025743 -0.009529 -0.005760 -0.012367 0.001112 66 S 5 Y -0.016355 0.042556 0.001988 0.016155 -0.004074 67 S 5 Z 0.020271 -0.007554 0.005673 0.006985 -0.000409 68 S 5 X -0.086623 -0.035805 -0.010506 -0.034751 -0.001139 69 S 5 Y -0.058999 0.143544 0.016195 0.039673 -0.021465 70 S 5 Z 0.080950 -0.033179 0.018463 0.020518 0.003167 71 S 5 X 0.332107 0.066434 0.741124 0.373049 -0.077574 72 S 5 Y -0.154733 -0.572053 0.473355 -0.290943 -0.229751 73 S 5 Z -0.230126 0.051506 -0.158971 -0.141277 0.023528 74 S 5 XX 0.032791 -0.050252 -0.143512 -0.045425 0.016282 75 S 5 YY -0.160058 0.109849 0.036339 0.030747 0.000154 76 S 5 ZZ 0.127268 -0.059597 0.107173 0.014678 -0.016436 77 S 5 XY 0.038466 0.226685 -0.157214 0.141218 0.085268 78 S 5 XZ 0.067224 0.029119 0.118539 0.074633 0.003212 79 S 5 YZ -0.085397 -0.002667 -0.022245 -0.115453 0.009207 80 S 5 XX 0.003217 -0.006613 -0.016790 -0.005550 0.003911 81 S 5 YY -0.020821 0.014500 0.005145 0.005628 -0.002325 82 S 5 ZZ 0.017603 -0.007887 0.011646 -0.000077 -0.001586 83 S 5 XY 0.000639 0.033404 -0.018348 0.020662 0.009771 84 S 5 XZ 0.010385 0.003835 0.016201 0.010771 0.000606 85 S 5 YZ -0.013587 0.001275 -0.002886 -0.017407 0.001486 86 H 6 S 0.094976 0.256253 -0.149731 -0.071287 0.246743 87 H 6 S -0.100414 0.205929 -0.373487 -0.214516 0.691904 88 H 6 X -0.026989 -0.021419 0.027434 0.003552 -0.008401 89 H 6 Y -0.015975 -0.054291 -0.006286 -0.062136 -0.016542 90 H 6 Z -0.030841 0.005472 -0.002985 0.022542 -0.008744 91 C 7 S 0.036734 -0.037677 -0.139221 -0.105840 0.033081 92 C 7 S 0.111005 -0.070252 -0.321492 -0.214358 0.077904 93 C 7 S 0.246978 -1.028386 -1.182630 0.175243 -1.352081 94 C 7 X -0.295310 -0.074523 -0.080374 0.028228 -0.180493 95 C 7 Y -0.044592 -0.037081 -0.175404 0.100428 0.009417 96 C 7 Z -0.011959 0.080439 -0.126833 -0.060983 0.020404 97 C 7 X 2.291280 2.565445 0.864598 1.057442 1.397330 98 C 7 Y -0.290034 0.948629 2.585998 0.205409 0.452089 99 C 7 Z 0.208848 -1.236232 -0.146322 -0.179211 -0.397239 100 C 7 XX -0.057743 -0.059017 -0.010832 -0.006306 -0.036968 101 C 7 YY 0.009212 -0.007358 -0.100000 0.042271 0.020078 102 C 7 ZZ 0.048531 0.066376 0.110832 -0.035965 0.016891 103 C 7 XY -0.034621 -0.099189 -0.035422 -0.000278 -0.079778 104 C 7 XZ 0.103460 -0.064413 0.094258 0.012378 -0.002352 105 C 7 YZ 0.049119 -0.056525 -0.055015 -0.012374 -0.022889 106 C 8 S 0.027968 -0.038779 0.101538 0.077387 -0.083726 107 C 8 S 0.089190 -0.079138 0.247733 0.182333 -0.191315 108 C 8 S 0.226463 0.174222 0.051843 -0.371322 0.654756 109 C 8 X -0.244747 -0.175014 0.061307 -0.193768 0.123103 110 C 8 Y -0.056090 0.028043 -0.118282 -0.046728 0.038004 111 C 8 Z -0.042506 0.049042 0.059305 0.000586 0.040043 112 C 8 X 0.670823 1.501070 -1.568030 0.799032 -0.703137 113 C 8 Y 0.875804 1.184460 -0.311922 0.881058 -0.763889 114 C 8 Z 0.145931 -0.093543 -0.376296 -0.004012 -0.223647 115 C 8 XX 0.046358 0.024310 -0.002941 0.052903 -0.024155 116 C 8 YY 0.004450 -0.043740 -0.018367 -0.044534 0.037028 117 C 8 ZZ -0.050807 0.019430 0.021307 -0.008368 -0.012873 118 C 8 XY -0.085478 -0.051056 0.085512 -0.041791 -0.008069 119 C 8 XZ 0.045371 -0.081136 -0.061632 0.018193 -0.083136 120 C 8 YZ -0.006495 0.048503 0.065886 0.010863 0.034222 121 C 9 S 0.061358 0.004086 0.010184 -0.025335 -0.087517 122 C 9 S 0.114848 -0.017760 0.046908 -0.076447 -0.175490 123 C 9 S -1.678963 -1.753198 1.684061 -1.340990 0.746635 124 C 9 X 0.002366 -0.144765 -0.021206 0.082674 0.031729 125 C 9 Y -0.081613 -0.024629 0.108701 -0.000023 0.020285 126 C 9 Z 0.080204 -0.053041 -0.120261 -0.019051 -0.055271 127 C 9 X 0.452647 0.922959 -0.002076 -0.097981 0.570146 128 C 9 Y -0.263522 -1.385678 -0.099520 -0.651287 -0.024916 129 C 9 Z -0.775549 -0.194242 1.773762 0.109716 0.178926 130 C 9 XX -0.052291 -0.053370 -0.044974 -0.011272 0.011525 131 C 9 YY 0.012725 0.017273 0.007131 -0.000764 -0.020676 132 C 9 ZZ 0.039566 0.036097 0.037842 0.012036 0.009151 133 C 9 XY 0.097366 -0.016438 0.036169 0.033484 0.023621 134 C 9 XZ -0.004077 -0.021786 -0.031933 -0.056856 0.048490 135 C 9 YZ -0.024684 0.014020 -0.021684 -0.019320 0.006537 136 C 10 S 0.007046 -0.083809 -0.060087 0.171805 -0.086454 137 C 10 S -0.002444 -0.182974 -0.111697 0.372732 -0.175864 138 C 10 S 0.251645 1.548172 2.011767 -0.867212 1.519618 139 C 10 X -0.010058 -0.103183 -0.030332 0.015606 -0.085762 140 C 10 Y -0.047357 -0.038773 0.129525 -0.031917 -0.023371 141 C 10 Z 0.000554 0.005109 0.023280 0.028147 0.052593 142 C 10 X -0.224086 2.036225 2.373888 0.705067 1.754109 143 C 10 Y 1.190600 2.038134 -0.528285 1.387935 0.290920 144 C 10 Z -0.295091 0.207191 -0.342212 -0.001206 -0.135241 145 C 10 XX -0.071224 0.066544 0.038631 0.012768 -0.027393 146 C 10 YY -0.057484 -0.054102 -0.070256 0.089931 0.055065 147 C 10 ZZ 0.128708 -0.012442 0.031625 -0.102699 -0.027672 148 C 10 XY 0.045692 0.086784 0.009412 -0.021890 0.053847 149 C 10 XZ -0.089999 0.104544 0.007817 -0.058787 0.033079 150 C 10 YZ -0.166530 0.130390 0.010865 0.079117 -0.027610 151 C 11 S 0.032989 -0.097688 0.075995 0.165610 -0.023068 152 C 11 S 0.083522 -0.214176 0.158123 0.373812 -0.046164 153 C 11 S 0.416890 0.100315 -1.798975 -1.508126 -0.601100 154 C 11 X 0.001062 -0.046511 0.046631 0.082398 0.006411 155 C 11 Y -0.069015 0.043221 -0.057799 -0.093914 0.100739 156 C 11 Z -0.102339 0.100798 -0.022173 0.061345 0.041529 157 C 11 X 0.180478 -1.442240 -1.351870 -1.350769 -1.412724 158 C 11 Y 1.191276 1.271891 0.104798 1.052528 -0.875533 159 C 11 Z 0.294427 -0.201858 0.237125 -0.276190 -0.269628 160 C 11 XX -0.085345 0.001164 0.001733 -0.045968 0.047864 161 C 11 YY -0.031224 -0.031878 -0.032760 0.163053 0.013707 162 C 11 ZZ 0.116569 0.030714 0.031027 -0.117085 -0.061570 163 C 11 XY 0.015099 0.005963 0.031521 0.040902 0.053709 164 C 11 XZ 0.064817 -0.098931 0.005466 0.018590 0.026651 165 C 11 YZ 0.122927 -0.164556 -0.098463 -0.057556 -0.108238 166 C 12 S -0.007751 0.009832 0.068217 -0.158038 -0.230133 167 C 12 S -0.022792 0.017423 0.148394 -0.310385 -0.444979 168 C 12 S -0.619314 0.120566 0.484801 1.988269 2.668102 169 C 12 X -0.107165 0.036172 0.088130 -0.130291 -0.135844 170 C 12 Y -0.021541 -0.051483 0.017128 0.091530 0.221947 171 C 12 Z -0.086034 0.019637 -0.053134 0.056767 -0.021729 172 C 12 X 0.363517 0.086123 0.506459 -0.195196 0.362727 173 C 12 Y 0.447885 -0.079159 0.184228 -0.641670 -0.478944 174 C 12 Z 0.009530 -0.116277 0.056020 -0.276941 -0.040337 175 C 12 XX 0.026516 -0.005402 0.018359 -0.120547 -0.124442 176 C 12 YY -0.041774 0.047299 -0.000986 0.047415 0.037148 177 C 12 ZZ 0.015257 -0.041897 -0.017373 0.073132 0.087294 178 C 12 XY 0.076980 -0.034990 -0.048160 -0.109764 0.002736 179 C 12 XZ 0.035911 -0.060885 0.029647 0.050530 -0.109791 180 C 12 YZ -0.214608 0.067209 -0.025859 -0.003093 -0.249603 181 C 13 S -0.130229 -0.133639 -0.110467 0.128830 0.077626 182 C 13 S -0.232427 -0.261134 -0.209639 0.238166 0.139630 183 C 13 S 2.115272 1.328034 1.216353 -1.764402 -1.370867 184 C 13 X 0.115184 0.006763 -0.023383 -0.112679 0.012224 185 C 13 Y 0.037143 0.007235 0.003905 -0.030954 0.059683 186 C 13 Z -0.204000 -0.169956 -0.074377 0.162033 0.042175 187 C 13 X 0.217672 0.375267 0.226596 -0.396417 -0.173376 188 C 13 Y -0.311450 -0.212933 0.090343 -0.408589 -0.142980 189 C 13 Z 0.342433 0.148858 0.138322 -0.126528 -0.152314 190 C 13 XX -0.165371 -0.035482 -0.029451 0.176289 0.096068 191 C 13 YY -0.063377 -0.080573 -0.048008 0.018334 -0.040356 192 C 13 ZZ 0.228748 0.116055 0.077459 -0.194622 -0.055712 193 C 13 XY -0.068882 0.031978 0.010106 0.014840 -0.168730 194 C 13 XZ -0.048110 0.078461 -0.040757 0.052426 0.095958 195 C 13 YZ 0.039326 -0.076289 -0.053592 -0.054263 0.204039 196 C 14 S 0.126701 0.084130 0.017043 -0.137153 0.139063 197 C 14 S 0.269313 0.162142 0.018842 -0.277860 0.261446 198 C 14 S -0.702271 -1.468083 -0.912422 0.973323 -1.640528 199 C 14 X 0.008836 0.027108 -0.013772 -0.158030 0.055153 200 C 14 Y 0.151519 0.005206 0.032099 -0.135547 0.107834 201 C 14 Z 0.128794 -0.322258 -0.072301 0.020151 0.075029 202 C 14 X 0.894268 0.173437 0.109059 0.247578 -1.029460 203 C 14 Y -0.750223 -0.558597 -0.309903 0.087043 0.253796 204 C 14 Z -0.010900 -0.021854 -0.092096 0.054307 -0.099329 205 C 14 XX 0.021274 0.050074 0.080085 -0.103959 0.006317 206 C 14 YY -0.068499 0.075415 -0.010521 0.066985 0.157164 207 C 14 ZZ 0.047225 -0.125488 -0.069563 0.036974 -0.163481 208 C 14 XY -0.037166 -0.042191 -0.007965 0.021323 0.006499 209 C 14 XZ -0.132317 0.165877 0.048111 -0.053552 0.123736 210 C 14 YZ -0.031338 0.223988 0.020570 0.007124 -0.182145 211 F 15 S -0.009875 -0.002489 0.003151 -0.004157 -0.031385 212 F 15 S -0.010928 0.000438 0.018320 -0.039965 -0.127064 213 F 15 S 0.119968 0.066972 0.045198 -0.192851 -0.268863 214 F 15 X -0.050465 0.027807 0.012822 -0.033263 -0.042035 215 F 15 Y 0.035423 -0.036431 0.007135 0.044944 0.120269 216 F 15 Z 0.060895 0.056178 0.049216 -0.178946 -0.245439 217 F 15 X 0.020001 0.004164 0.006718 0.001380 -0.025956 218 F 15 Y -0.021204 0.008503 -0.029597 -0.000828 -0.007869 219 F 15 Z -0.151175 -0.067386 -0.091993 0.343746 0.464323 220 F 15 XX 0.003850 -0.000645 -0.002507 0.000057 0.000869 221 F 15 YY 0.003294 -0.001884 0.002042 -0.000782 0.005102 222 F 15 ZZ -0.007145 0.002529 0.000466 0.000725 -0.005971 223 F 15 XY 0.004390 0.007004 0.001495 -0.003405 -0.002006 224 F 15 XZ 0.000366 0.004259 -0.000068 -0.002592 0.004385 225 F 15 YZ 0.014581 -0.002041 0.000617 -0.002586 0.013951 226 F 16 S -0.007720 0.004531 0.000727 -0.012144 -0.009122 227 F 16 S -0.042558 0.014928 -0.003059 -0.064006 -0.074103 228 F 16 S -0.106514 0.006915 -0.023796 -0.191078 -0.289286 229 F 16 X -0.064295 0.018310 0.021430 0.068618 -0.016282 230 F 16 Y -0.100846 0.001955 -0.057181 -0.037456 -0.117788 231 F 16 Z 0.044363 -0.024940 -0.035788 0.163353 0.235124 232 F 16 X -0.074870 -0.026712 -0.020957 -0.096475 -0.128276 233 F 16 Y 0.183498 -0.036435 0.081746 0.234786 0.420096 234 F 16 Z -0.048576 0.024889 0.002526 -0.228826 -0.349813 235 F 16 XX 0.001745 0.000584 -0.005685 -0.001609 0.000921 236 F 16 YY 0.006207 -0.005130 0.005809 0.001706 0.005967 237 F 16 ZZ -0.007953 0.004546 -0.000124 -0.000097 -0.006889 238 F 16 XY -0.007270 0.001417 0.003626 0.002812 -0.014232 239 F 16 XZ 0.001980 0.000887 0.001749 -0.003783 0.001584 240 F 16 YZ 0.007105 -0.000894 -0.002809 0.000091 0.002336 241 F 17 S 0.009801 -0.006683 -0.002087 -0.010532 0.005801 242 F 17 S 0.036199 -0.042695 -0.003736 -0.050090 0.053520 243 F 17 S -0.011111 -0.072166 0.016389 -0.133174 0.256326 244 F 17 X 0.011174 0.048205 0.000474 0.002014 0.073512 245 F 17 Y 0.034645 0.066036 0.020095 0.014660 -0.072751 246 F 17 Z -0.079296 0.006243 -0.027713 0.133674 -0.148624 247 F 17 X -0.079530 -0.072742 -0.007476 -0.037638 0.038765 248 F 17 Y 0.078754 -0.177877 0.007645 -0.116589 0.256900 249 F 17 Z 0.126581 -0.126730 0.039336 -0.226251 0.279306 250 F 17 XX -0.002298 -0.004716 -0.000110 -0.002547 0.005138 251 F 17 YY 0.000690 0.003827 -0.000647 -0.000599 -0.012330 252 F 17 ZZ 0.001608 0.000889 0.000757 0.003146 0.007192 253 F 17 XY 0.003654 -0.000373 -0.003563 0.002591 -0.006786 254 F 17 XZ 0.005720 0.001354 0.000233 -0.000143 -0.006556 255 F 17 YZ -0.005792 0.008664 0.000517 -0.001345 0.001410 256 F 18 S 0.000107 0.004890 0.000496 -0.005175 0.027483 257 F 18 S -0.004076 0.071364 0.024451 -0.040326 0.100066 258 F 18 S 0.036831 0.303745 0.143104 -0.174946 0.150719 259 F 18 X 0.038458 -0.061447 -0.010628 0.006582 0.001039 260 F 18 Y 0.074629 -0.078587 -0.035064 -0.008703 0.078284 261 F 18 Z 0.066412 0.163671 0.087606 -0.157977 0.149973 262 F 18 X -0.099975 0.139650 0.025710 -0.065172 0.098823 263 F 18 Y -0.046450 0.222275 0.100210 -0.045597 0.008984 264 F 18 Z -0.003388 -0.506466 -0.210974 0.284484 -0.254756 265 F 18 XX -0.006206 0.005933 0.002146 -0.005108 0.001562 266 F 18 YY 0.001602 0.005504 0.000904 0.002579 -0.013263 267 F 18 ZZ 0.004604 -0.011436 -0.003050 0.002529 0.011701 268 F 18 XY -0.005369 -0.001698 -0.002542 0.001541 0.001161 269 F 18 XZ -0.002715 0.002227 0.002047 -0.000535 -0.004610 270 F 18 YZ -0.007179 0.002372 0.001742 0.002188 0.009335 271 C 19 S -0.107621 -0.113317 0.093919 -0.084677 0.013731 272 C 19 S -0.227130 -0.259270 0.206210 -0.179457 0.035679 273 C 19 S -0.237818 -0.641512 0.249032 -0.232128 0.459477 274 C 19 X 0.065797 0.062303 0.028078 0.034930 -0.024633 275 C 19 Y 0.094216 0.164797 -0.107738 0.076997 -0.055823 276 C 19 Z 0.014562 0.003118 -0.044596 -0.001317 -0.010615 277 C 19 X 0.117766 0.129316 -0.165670 0.067306 -0.026913 278 C 19 Y 0.244927 0.422992 -0.230813 0.212963 -0.197222 279 C 19 Z 0.015760 0.227551 0.188126 0.112628 0.045435 280 C 19 XX -0.003107 -0.012725 0.054373 0.008232 -0.002826 281 C 19 YY 0.013633 -0.005802 -0.062776 -0.020924 0.028767 282 C 19 ZZ -0.010525 0.018527 0.008403 0.012692 -0.025941 283 C 19 XY -0.064577 -0.043314 0.113241 -0.014355 0.001725 284 C 19 XZ -0.018812 -0.067580 -0.075922 -0.039196 -0.019917 285 C 19 YZ -0.015780 -0.026991 -0.052053 -0.031831 0.009929 286 H 20 S -0.088159 0.001047 0.043910 -0.040106 -0.015732 287 H 20 S -0.047748 -0.078723 0.110551 -0.033978 -0.031607 288 H 20 X -0.021388 0.004542 -0.008259 0.000337 -0.004937 289 H 20 Y -0.065891 -0.041394 0.109903 -0.005575 -0.017991 290 H 20 Z -0.022028 -0.010536 -0.005622 -0.013675 0.003959 291 H 21 S -0.087793 -0.040930 0.066924 -0.058297 0.041347 292 H 21 S -0.074825 -0.043334 0.114084 -0.044192 0.043091 293 H 21 X -0.001206 0.010051 0.031451 0.007108 0.018059 294 H 21 Y 0.015843 0.014373 -0.013857 -0.003123 0.022998 295 H 21 Z 0.017805 0.020239 -0.027736 0.003450 0.007160 296 C 22 S -0.007440 0.027834 0.100621 0.110115 -0.070301 297 C 22 S -0.019691 0.062771 0.227478 0.242445 -0.149946 298 C 22 S -0.289275 0.284879 0.025461 -0.077203 0.142351 299 C 22 X 0.003813 0.002452 -0.105717 -0.067614 0.044254 300 C 22 Y -0.048027 0.094521 0.072849 0.105041 -0.005488 301 C 22 Z 0.020815 -0.017386 0.004253 0.011431 -0.009168 302 C 22 X 0.127641 -0.154816 0.065878 0.051257 0.023959 303 C 22 Y -0.077889 0.085290 0.158958 0.155997 -0.088502 304 C 22 Z -0.157777 0.132842 0.005112 -0.050860 0.001622 305 C 22 XX -0.052537 -0.017605 -0.062340 -0.116417 0.035504 306 C 22 YY 0.020445 0.016176 0.025392 0.065155 -0.031443 307 C 22 ZZ 0.032093 0.001428 0.036948 0.051262 -0.004061 308 C 22 XY 0.019584 -0.029222 0.025653 0.021608 -0.007571 309 C 22 XZ -0.003162 -0.000652 -0.000447 -0.007018 -0.007047 310 C 22 YZ -0.048020 0.063734 0.009503 -0.007047 -0.000592 311 H 23 S 0.006155 0.021012 0.061556 0.096521 -0.015786 312 H 23 S 0.041599 -0.036753 0.139735 0.122042 -0.112041 313 H 23 X 0.032545 0.012999 0.057635 0.099529 -0.038539 314 H 23 Y -0.016102 -0.037098 -0.016749 -0.084127 0.013216 315 H 23 Z 0.001616 -0.018668 -0.004277 -0.018875 -0.000029 316 H 24 S -0.011737 0.027638 0.013576 0.045815 -0.024096 317 H 24 S 0.029933 -0.027834 0.058435 0.062636 -0.055329 318 H 24 X -0.015808 -0.002455 -0.010264 -0.033268 0.017062 319 H 24 Y 0.004854 0.014956 0.019181 0.026348 -0.013489 320 H 24 Z 0.008049 0.008385 0.016688 0.030838 -0.014816 321 H 25 S -0.047894 0.042290 0.001891 0.011901 -0.035782 322 H 25 S -0.092149 0.049028 0.031444 0.002525 -0.043417 323 H 25 X -0.014284 -0.013310 -0.019425 -0.046708 0.015351 324 H 25 Y 0.052219 -0.028389 0.029521 0.050743 -0.010784 325 H 25 Z -0.014380 -0.000223 -0.013750 -0.028661 0.015055 326 C 26 S 0.027362 0.028790 -0.034898 -0.061786 0.088712 327 C 26 S 0.050519 0.045037 -0.057080 -0.127760 0.177000 328 C 26 S -0.462762 -0.175276 1.049651 0.304368 -0.419771 329 C 26 X 0.001228 -0.156973 -0.011429 -0.018099 0.000065 330 C 26 Y -0.074386 0.068016 0.056601 0.014426 0.004294 331 C 26 Z -0.045838 -0.007031 0.096841 -0.073258 0.026236 332 C 26 X -0.136302 0.446524 0.042595 0.118315 0.038520 333 C 26 Y 0.187087 -0.080774 0.156995 0.079047 0.035525 334 C 26 Z -0.117612 -0.145319 0.410211 0.169294 -0.154144 335 C 26 XX -0.020219 -0.000817 -0.057824 -0.002632 -0.023929 336 C 26 YY 0.042739 -0.006148 -0.000029 0.042228 0.009760 337 C 26 ZZ -0.022520 0.006964 0.057853 -0.039596 0.014168 338 C 26 XY 0.002213 -0.028707 -0.010845 -0.023007 -0.009345 339 C 26 XZ -0.007213 0.078358 0.029253 0.038566 -0.035419 340 C 26 YZ 0.048303 0.040322 0.069138 0.044537 0.032330 341 H 27 S -0.016591 0.180054 0.045952 -0.117134 0.151157 342 H 27 S 0.070973 -0.068504 -0.033696 0.157113 -0.032174 343 H 27 X 0.037777 0.038628 0.028462 0.021368 0.009278 344 H 27 Y -0.001304 -0.006934 -0.060776 -0.005209 -0.017303 345 H 27 Z -0.012507 -0.058366 -0.041175 -0.019952 -0.006052 346 H 28 S -0.088403 0.002108 -0.000075 -0.105780 0.048451 347 H 28 S 0.009631 0.119312 -0.010714 0.069405 0.005981 348 H 28 X -0.012551 0.001457 -0.061877 -0.037874 0.015079 349 H 28 Y 0.029800 -0.022740 -0.018081 -0.005768 0.019570 350 H 28 Z 0.049558 0.026460 -0.022043 0.047537 0.038226 351 H 29 S 0.037427 -0.111618 0.048209 -0.075669 0.003107 352 H 29 S 0.095177 -0.184566 -0.041554 -0.027636 0.041640 353 H 29 X -0.012121 0.069123 0.016502 -0.010362 -0.005684 354 H 29 Y 0.015605 0.006105 0.002438 -0.026051 0.010534 355 H 29 Z -0.007508 0.055839 -0.044248 0.002876 -0.006370 356 C 30 S -0.068688 0.051493 0.050240 -0.119559 0.049053 357 C 30 S -0.138889 0.106963 0.101474 -0.244082 0.096194 358 C 30 S 0.589638 -0.544491 -0.048722 0.606507 -0.085230 359 C 30 X -0.142562 -0.042683 -0.015711 -0.008911 -0.002624 360 C 30 Y 0.029777 -0.002040 0.199620 0.107004 0.024202 361 C 30 Z 0.025811 0.043396 -0.080318 0.070056 -0.045738 362 C 30 X 0.230816 0.157104 0.036866 0.121129 -0.008944 363 C 30 Y -0.078084 -0.001279 -0.472695 -0.318967 -0.086730 364 C 30 Z -0.267083 0.037038 0.144011 -0.128320 0.001016 365 C 30 XX -0.027631 -0.004599 -0.055657 -0.001996 -0.020684 366 C 30 YY 0.000037 -0.012879 0.030604 0.033002 0.007080 367 C 30 ZZ 0.027594 0.017478 0.025053 -0.031007 0.013604 368 C 30 XY 0.017190 0.008019 -0.011134 0.010495 -0.018536 369 C 30 XZ -0.044631 -0.044102 0.017509 0.005753 -0.011076 370 C 30 YZ 0.019565 -0.065568 0.085427 0.002516 0.035421 371 H 31 S -0.010916 0.018900 -0.064419 -0.133019 0.038671 372 H 31 S -0.018575 0.011379 -0.224341 -0.210686 -0.052853 373 H 31 X -0.014876 0.026223 0.016794 -0.001673 -0.003733 374 H 31 Y 0.002460 0.020092 -0.090410 -0.034677 -0.032337 375 H 31 Z 0.050456 0.024184 -0.041438 -0.011102 -0.030633 376 H 32 S 0.000861 0.036098 0.087510 -0.098524 0.039896 377 H 32 S 0.079016 0.177035 0.104077 0.194226 0.030635 378 H 32 X 0.072967 -0.022334 0.008625 0.035617 0.007999 379 H 32 Y 0.032755 -0.063687 -0.030354 0.006325 -0.009303 380 H 32 Z 0.033473 -0.004227 0.017013 -0.004740 0.015491 381 H 33 S -0.110077 0.007520 0.173006 -0.141996 0.109095 382 H 33 S -0.065963 0.062401 -0.018244 0.044805 0.015389 383 H 33 X 0.063957 -0.006662 -0.032321 -0.003150 -0.014983 384 H 33 Y -0.012434 0.014426 -0.003414 -0.014741 0.010937 385 H 33 Z -0.029118 -0.037524 0.062858 -0.005969 0.043593 386 H 34 S -0.077924 -0.096221 -0.011791 -0.077458 0.004750 387 H 34 S -0.043869 -0.161331 0.005119 -0.086108 -0.001799 388 H 34 X -0.017247 -0.044633 -0.047922 -0.033609 0.006005 389 H 34 Y 0.014797 -0.010752 -0.072554 -0.019493 0.009049 390 H 34 Z -0.014951 -0.014254 0.045336 -0.000668 0.001272 391 F 35 S 0.000983 -0.000624 -0.002027 0.003179 0.002156 392 F 35 S -0.005190 -0.001543 -0.015384 0.002334 0.019509 393 F 35 S -0.159525 -0.041295 -0.091147 0.024550 0.120852 394 F 35 X 0.041608 -0.018062 0.012228 0.051040 -0.039535 395 F 35 Y -0.003048 0.016420 -0.001095 0.025382 -0.005784 396 F 35 Z -0.068358 -0.049928 -0.060195 0.080671 0.076326 397 F 35 X -0.041942 0.020143 -0.076496 -0.091152 0.131275 398 F 35 Y -0.001421 0.005080 -0.012243 -0.006217 -0.041348 399 F 35 Z 0.011363 0.037871 0.054723 -0.013391 -0.068571 400 F 35 XX -0.003542 -0.006152 -0.000133 0.004253 -0.006999 401 F 35 YY 0.000787 0.000291 -0.000255 -0.004541 0.003175 402 F 35 ZZ 0.002755 0.005861 0.000388 0.000287 0.003823 403 F 35 XY 0.004910 -0.002162 -0.000182 0.000400 0.018806 404 F 35 XZ 0.011687 0.003105 0.005141 -0.012666 -0.005277 405 F 35 YZ 0.002623 0.000689 -0.000759 0.000307 -0.001387 406 F 36 S -0.011252 0.002635 -0.002636 -0.001350 0.008604 407 F 36 S -0.076670 -0.025351 -0.031883 0.041999 0.047214 408 F 36 S -0.241520 -0.206126 -0.161425 0.304744 0.151203 409 F 36 X -0.026768 0.037214 -0.015929 -0.020100 0.049904 410 F 36 Y -0.000816 -0.048514 -0.003510 0.022936 -0.042942 411 F 36 Z 0.136723 0.110114 0.090063 -0.186215 -0.118080 412 F 36 X 0.004464 -0.037832 -0.010627 0.055274 -0.009482 413 F 36 Y 0.068425 0.060693 -0.004056 -0.046605 0.092622 414 F 36 Z -0.455140 -0.320327 -0.242426 0.474782 0.275941 415 F 36 XX -0.001574 -0.002124 0.000879 0.002197 -0.000302 416 F 36 YY -0.003560 -0.002924 -0.001952 0.003723 0.002378 417 F 36 ZZ 0.005134 0.005049 0.001073 -0.005920 -0.002076 418 F 36 XY 0.001966 0.002153 -0.001691 0.001606 0.001205 419 F 36 XZ 0.004162 -0.004810 0.002328 -0.003828 -0.007406 420 F 36 YZ -0.005268 0.003796 0.003003 0.005453 -0.008494 421 C 37 S 0.116155 0.107043 -0.179305 -0.037572 0.051848 422 C 37 S 0.235744 0.241354 -0.417982 -0.082904 0.094023 423 C 37 S -0.061131 0.073696 0.571786 0.982738 -1.222533 424 C 37 X 0.043033 0.096764 -0.074008 0.050864 0.011169 425 C 37 Y 0.007725 0.050488 -0.061290 0.037182 0.037323 426 C 37 Z 0.048748 -0.066258 -0.143894 -0.020464 -0.042076 427 C 37 X -0.619118 -1.987742 2.283773 -1.117626 1.035654 428 C 37 Y -0.023936 -0.110498 0.372213 -0.121137 -0.044876 429 C 37 Z -0.032343 0.184468 0.205305 -0.014658 0.167795 430 C 37 XX 0.047177 0.121722 -0.144861 0.017385 -0.022284 431 C 37 YY 0.005400 -0.073608 0.061548 -0.022039 0.045077 432 C 37 ZZ -0.052577 -0.048114 0.083313 0.004654 -0.022793 433 C 37 XY -0.038138 -0.044905 -0.017933 -0.048549 0.035013 434 C 37 XZ 0.022680 -0.055944 -0.014558 0.037803 -0.059433 435 C 37 YZ 0.049452 -0.074909 -0.049207 0.037789 -0.066606 436 S 38 S 0.036320 0.032148 0.059274 0.043513 -0.003133 437 S 38 S 0.267183 0.237230 0.423411 0.317661 -0.025110 438 S 38 S 0.370054 0.334512 0.534371 0.426746 -0.040394 439 S 38 S -0.271656 -0.307480 -2.568993 -0.484250 -0.367222 440 S 38 X 0.014487 0.039971 -0.013314 0.033672 -0.050100 441 S 38 Y -0.014607 0.000087 0.058361 -0.010519 0.005750 442 S 38 Z 0.005969 -0.001204 0.003929 -0.002945 -0.001530 443 S 38 X 0.003841 0.142919 -0.061232 0.103117 -0.201504 444 S 38 Y -0.068600 -0.011188 0.217079 -0.032208 0.019489 445 S 38 Z 0.016042 0.008829 0.016677 -0.010864 -0.006089 446 S 38 X -0.402589 -0.117781 -0.567072 -0.111309 -0.173997 447 S 38 Y -0.001626 0.217939 0.605835 0.270735 0.086241 448 S 38 Z -0.119443 0.286873 0.033588 0.069600 0.088822 449 S 38 XX -0.147902 0.004335 -0.125908 -0.034334 0.051095 450 S 38 YY 0.004700 -0.081740 0.039801 -0.140127 -0.005035 451 S 38 ZZ 0.143202 0.077405 0.086107 0.174461 -0.046060 452 S 38 XY 0.132270 0.015469 0.087948 0.000583 0.156862 453 S 38 XZ 0.014501 -0.023045 -0.064011 0.012121 -0.027118 454 S 38 YZ 0.104908 -0.265392 -0.024518 -0.041542 -0.062586 455 S 38 XX -0.024972 -0.006484 -0.017196 -0.011668 0.012140 456 S 38 YY 0.002587 -0.006778 0.010766 -0.014557 -0.003287 457 S 38 ZZ 0.022386 0.013261 0.006430 0.026226 -0.008853 458 S 38 XY 0.014577 -0.000448 0.011700 0.000714 0.016632 459 S 38 XZ 0.002278 -0.003881 -0.011172 0.001393 -0.004485 460 S 38 YZ 0.015192 -0.036099 -0.002945 -0.005876 -0.008177 461 H 39 S 0.105169 0.375268 -0.598740 0.163806 -0.176544 462 H 39 S 0.275723 0.846220 -0.949390 0.339375 -0.216056 463 H 39 X -0.029414 0.002102 -0.021853 0.022333 -0.039335 464 H 39 Y -0.029481 -0.012112 -0.015560 -0.027852 0.013099 465 H 39 Z 0.003611 -0.007146 0.060469 0.033315 -0.004876 241 242 243 244 245 1.3644 1.3717 1.3840 1.3945 1.4021 A A A A A 1 C 1 S -0.006434 0.097224 0.034902 -0.202045 0.101176 2 C 1 S -0.014556 0.207701 0.050730 -0.456200 0.194391 3 C 1 S 0.820523 -0.886496 -0.683205 0.981150 -1.188960 4 C 1 X -0.086022 0.044974 -0.028641 0.001232 0.008849 5 C 1 Y -0.064401 0.092834 -0.071431 -0.214117 0.016376 6 C 1 Z -0.029677 0.028173 -0.028591 0.011331 -0.026520 7 C 1 X -0.403224 0.600951 0.440470 -0.371535 0.242316 8 C 1 Y 0.661078 -0.615169 -0.347196 0.756546 -1.159491 9 C 1 Z 0.477841 -0.050730 0.085451 0.106567 0.075461 10 C 1 XX 0.030320 0.015817 -0.008071 0.040794 -0.068402 11 C 1 YY 0.011581 0.015640 0.041379 -0.060090 0.079897 12 C 1 ZZ -0.041901 -0.031457 -0.033308 0.019296 -0.011495 13 C 1 XY -0.047052 0.028898 -0.014827 -0.059669 0.011377 14 C 1 XZ 0.006733 -0.008526 0.025133 0.018494 0.001698 15 C 1 YZ 0.064135 -0.019055 0.052609 0.020751 -0.006237 16 C 2 S -0.022092 -0.037937 -0.021149 0.081481 -0.097251 17 C 2 S -0.048360 -0.078884 -0.029968 0.190024 -0.175513 18 C 2 S -0.231538 -0.093064 0.720654 -0.138948 2.466557 19 C 2 X 0.075720 0.041647 0.060988 0.130181 0.016128 20 C 2 Y 0.059021 -0.030016 -0.070427 0.058190 -0.019616 21 C 2 Z 0.013603 -0.004409 -0.003476 -0.015975 -0.018489 22 C 2 X -1.756415 0.750230 -0.014905 -0.419482 0.145659 23 C 2 Y -0.871204 -0.100363 0.169545 0.000236 1.335487 24 C 2 Z -0.194568 -0.045344 -0.080276 0.085530 0.037913 25 C 2 XX -0.044036 0.054065 0.020332 -0.071891 -0.002767 26 C 2 YY 0.019162 -0.048381 -0.005262 0.083299 0.028057 27 C 2 ZZ 0.024874 -0.005684 -0.015070 -0.011408 -0.025290 28 C 2 XY -0.087051 0.070179 0.010133 -0.010647 0.003344 29 C 2 XZ -0.098147 -0.068218 -0.013961 -0.060015 -0.003767 30 C 2 YZ 0.017351 -0.000894 -0.018177 0.066517 0.016501 31 C 3 S 0.036972 -0.036348 -0.072948 0.051718 -0.174310 32 C 3 S 0.111536 -0.082391 -0.137873 0.098820 -0.361790 33 C 3 S 1.291537 -0.823783 0.759606 0.112061 0.339591 34 C 3 X -0.172702 -0.016235 -0.022436 0.205477 0.100121 35 C 3 Y -0.095049 0.111459 0.002790 -0.066350 -0.107384 36 C 3 Z 0.017771 0.036472 -0.069277 0.089240 0.040539 37 C 3 X 1.534735 -0.039175 1.226931 -2.329627 0.728097 38 C 3 Y 0.631306 -1.797793 0.628939 0.604823 2.596668 39 C 3 Z 0.367407 -0.280415 0.278733 -0.347269 0.186554 40 C 3 XX 0.024194 0.005926 0.022526 0.041053 0.013362 41 C 3 YY -0.055145 -0.027641 -0.060204 0.032969 -0.001638 42 C 3 ZZ 0.030950 0.021714 0.037678 -0.074022 -0.011725 43 C 3 XY -0.004289 0.070916 -0.004278 0.011073 -0.003410 44 C 3 XZ -0.112378 -0.138568 0.020704 -0.049309 -0.006558 45 C 3 YZ -0.011084 -0.081264 0.042828 -0.083969 -0.046696 46 C 4 S 0.001295 0.079790 0.035180 0.113297 -0.093263 47 C 4 S -0.035802 0.174620 0.059709 0.189993 -0.197762 48 C 4 S -1.151278 0.193500 -0.802540 -0.721841 -0.793598 49 C 4 X -0.064409 -0.084680 -0.007475 -0.009890 0.012847 50 C 4 Y 0.014187 0.004389 -0.049104 0.015559 -0.100913 51 C 4 Z 0.143861 -0.015709 -0.043301 0.094918 0.072471 52 C 4 X 0.570166 -0.399849 0.461635 -0.626538 0.860799 53 C 4 Y 0.976235 -0.547746 1.379240 -1.011850 1.387019 54 C 4 Z -0.372785 0.303677 0.995186 0.015222 0.398050 55 C 4 XX -0.037341 0.007152 -0.009634 0.013529 0.058709 56 C 4 YY -0.036477 0.012016 -0.011612 0.033949 -0.089907 57 C 4 ZZ 0.073818 -0.019168 0.021245 -0.047478 0.031197 58 C 4 XY -0.049579 -0.026140 -0.022571 0.053738 -0.075165 59 C 4 XZ 0.006316 0.075388 -0.050610 0.048137 0.001401 60 C 4 YZ -0.015358 0.084070 -0.030863 0.077855 -0.048924 61 S 5 S -0.055009 0.023644 -0.064650 -0.073046 -0.051169 62 S 5 S -0.403546 0.173618 -0.468841 -0.534470 -0.370803 63 S 5 S -0.556281 0.234812 -0.620386 -0.723075 -0.495030 64 S 5 S 0.683637 -0.185943 1.373561 0.861695 1.353799 65 S 5 X 0.045207 -0.019195 0.007299 0.050845 0.005078 66 S 5 Y 0.011119 -0.015658 0.017090 0.029055 -0.013192 67 S 5 Z 0.011825 -0.003273 -0.006609 0.000334 0.005246 68 S 5 X 0.164529 -0.062986 0.010769 0.162588 0.016834 69 S 5 Y 0.036977 -0.051424 0.067109 0.097303 -0.078188 70 S 5 Z 0.048132 -0.011646 -0.034913 0.006903 0.021300 71 S 5 X -0.421278 0.050106 -0.669381 -0.400226 -0.678471 72 S 5 Y 0.000994 0.072569 -0.069783 0.106985 -0.473686 73 S 5 Z -0.081517 0.017534 0.028387 0.043378 -0.026472 74 S 5 XX 0.112330 0.002160 0.164114 0.124355 0.210334 75 S 5 YY -0.022912 -0.103048 -0.057850 0.130982 -0.166656 76 S 5 ZZ -0.089418 0.100888 -0.106265 -0.255337 -0.043678 77 S 5 XY -0.052930 0.002305 -0.004291 -0.018421 0.150619 78 S 5 XZ -0.032646 0.041297 -0.007961 -0.021408 -0.016112 79 S 5 YZ 0.101615 0.047491 -0.015826 0.121531 -0.054671 80 S 5 XX 0.016193 -0.000718 0.018907 0.020254 0.028236 81 S 5 YY -0.001635 -0.016890 -0.006827 0.020238 -0.025347 82 S 5 ZZ -0.014558 0.017608 -0.012080 -0.040492 -0.002889 83 S 5 XY -0.006412 -0.002666 0.000708 0.003601 0.016225 84 S 5 XZ -0.003658 0.005947 -0.001343 -0.002238 -0.001782 85 S 5 YZ 0.013032 0.008128 -0.002372 0.017319 -0.008516 86 H 6 S -0.386196 0.166427 -0.038995 -0.072765 0.033715 87 H 6 S -0.751985 0.004893 0.008488 -0.074380 0.274555 88 H 6 X -0.007070 -0.029875 -0.012789 -0.017323 0.009867 89 H 6 Y 0.048328 -0.008399 0.025820 -0.003164 -0.045095 90 H 6 Z -0.009665 0.007197 0.012676 0.016138 -0.041431 91 C 7 S 0.132167 -0.015749 -0.099487 0.015470 -0.082313 92 C 7 S 0.302890 -0.023981 -0.212658 0.039930 -0.154357 93 C 7 S -1.679560 0.084288 -0.296021 -0.281459 1.137124 94 C 7 X -0.074776 -0.144515 0.209830 -0.073752 -0.020841 95 C 7 Y -0.072827 0.142004 -0.200088 0.011112 0.066463 96 C 7 Z -0.051099 0.065185 0.063105 -0.008954 0.027505 97 C 7 X 0.618019 1.875595 -1.278260 1.966199 1.287003 98 C 7 Y 1.936490 -1.164979 3.078141 0.220964 -0.790837 99 C 7 Z 0.143799 -0.637090 0.222274 0.003057 -0.193391 100 C 7 XX -0.021469 -0.086344 0.089232 -0.051192 -0.003057 101 C 7 YY 0.036756 0.016920 -0.080852 0.058711 0.094411 102 C 7 ZZ -0.015287 0.069424 -0.008380 -0.007520 -0.091354 103 C 7 XY -0.048977 -0.070109 0.003734 0.020970 -0.079882 104 C 7 XZ 0.009296 -0.002129 0.073024 -0.005238 0.146408 105 C 7 YZ -0.138193 0.066753 -0.037971 0.197003 -0.142237 106 C 8 S -0.052342 -0.143207 -0.026929 0.107023 -0.192648 107 C 8 S -0.088668 -0.320976 -0.037805 0.234283 -0.385300 108 C 8 S 1.202943 0.753213 0.861691 -0.934458 1.957148 109 C 8 X -0.057648 0.164616 -0.066973 -0.137040 0.043440 110 C 8 Y -0.006183 0.067645 0.023250 -0.029495 0.038634 111 C 8 Z -0.031068 0.060821 -0.022134 0.013883 -0.005363 112 C 8 X -0.185581 -0.831096 0.278598 0.239014 -0.735493 113 C 8 Y -0.616016 -0.786356 -0.879298 0.553480 -1.308585 114 C 8 Z 0.212637 -0.379260 0.197978 -0.434656 0.123701 115 C 8 XX -0.007586 -0.064445 -0.006969 0.032817 -0.070386 116 C 8 YY 0.012577 0.031161 -0.010047 -0.013531 0.045813 117 C 8 ZZ -0.004990 0.033284 0.017016 -0.019287 0.024573 118 C 8 XY -0.026480 0.002714 0.021068 -0.049473 -0.020099 119 C 8 XZ -0.082288 -0.083002 0.019598 0.050421 -0.067491 120 C 8 YZ -0.015446 0.040226 -0.024513 0.011522 -0.012094 121 C 9 S 0.028287 -0.052517 0.102434 -0.139393 -0.034527 122 C 9 S 0.069798 -0.105876 0.217617 -0.269001 -0.084658 123 C 9 S 0.757163 0.226743 0.937728 0.357384 -0.179393 124 C 9 X -0.019577 -0.000834 -0.026381 0.053620 0.098175 125 C 9 Y -0.139754 0.042185 -0.035823 -0.086896 0.022765 126 C 9 Z -0.009336 -0.060982 0.069224 0.045327 -0.062398 127 C 9 X -0.195988 1.440358 -1.362414 0.332273 0.580016 128 C 9 Y 0.859212 -0.523746 -0.100771 -1.293332 0.043063 129 C 9 Z -0.059908 0.005429 -0.598657 -0.295544 -0.677760 130 C 9 XX -0.010130 0.010816 -0.008721 0.075717 0.003094 131 C 9 YY 0.016963 -0.057310 0.069437 -0.122435 0.044245 132 C 9 ZZ -0.006833 0.046494 -0.060716 0.046718 -0.047339 133 C 9 XY 0.013730 0.056680 -0.010319 0.007278 0.097377 134 C 9 XZ -0.012068 0.101667 -0.099899 0.075301 -0.034779 135 C 9 YZ 0.019868 -0.026141 0.063173 -0.062955 0.059590 136 C 10 S 0.049338 -0.016753 0.060370 0.072306 -0.159186 137 C 10 S 0.097311 -0.037523 0.149396 0.170365 -0.292268 138 C 10 S -0.153785 -0.090510 0.993643 0.269889 3.298970 139 C 10 X -0.050002 -0.117767 -0.093466 0.153998 0.233965 140 C 10 Y -0.079968 -0.068911 0.065181 -0.130302 -0.135490 141 C 10 Z 0.033877 0.039284 0.012353 0.013539 -0.007426 142 C 10 X 1.910097 -0.427691 2.146216 -0.783908 -2.221116 143 C 10 Y 0.660127 2.325755 -2.292775 2.708103 0.809682 144 C 10 Z -0.369676 0.155889 -0.305315 -0.081728 0.221436 145 C 10 XX 0.013396 -0.004718 -0.006183 0.055958 0.018803 146 C 10 YY -0.074178 -0.050015 -0.009193 0.005789 0.091711 147 C 10 ZZ 0.060782 0.054733 0.015376 -0.061747 -0.110513 148 C 10 XY 0.053972 0.048734 -0.032490 0.006910 -0.035572 149 C 10 XZ 0.041585 0.018269 -0.082623 -0.142264 -0.046472 150 C 10 YZ -0.098344 0.062372 -0.011913 -0.033341 -0.009670 151 C 11 S -0.120533 0.016494 0.071363 -0.167219 0.089519 152 C 11 S -0.261167 0.058803 0.135586 -0.348436 0.205900 153 C 11 S 1.098593 1.512779 -1.373974 0.977607 -0.433488 154 C 11 X -0.045901 -0.156372 -0.092430 -0.055857 0.127007 155 C 11 Y -0.208004 -0.020242 -0.035615 -0.049711 0.119578 156 C 11 Z 0.020294 -0.003781 0.000292 -0.003245 0.000562 157 C 11 X -0.370401 1.877167 -0.146364 -0.775522 -0.538962 158 C 11 Y 0.959979 1.749863 -1.666707 1.829424 -1.856891 159 C 11 Z -0.315045 0.122437 -0.086305 0.077932 -0.175404 160 C 11 XX -0.102347 -0.024200 0.019025 -0.050885 0.021925 161 C 11 YY -0.046134 -0.022366 -0.048774 0.067696 0.098016 162 C 11 ZZ 0.148480 0.046566 0.029749 -0.016812 -0.119941 163 C 11 XY -0.054854 -0.015752 -0.010977 0.088812 0.089414 164 C 11 XZ -0.025061 0.033899 -0.058310 -0.055842 -0.041400 165 C 11 YZ 0.006766 -0.072323 -0.043375 0.089868 -0.042434 166 C 12 S -0.126331 0.060331 0.077194 0.009677 0.015747 167 C 12 S -0.248061 0.119635 0.214240 -0.000183 -0.012263 168 C 12 S 2.077964 -0.509195 2.027550 -0.944482 -2.849794 169 C 12 X 0.090079 -0.098456 0.022826 -0.097374 -0.125430 170 C 12 Y -0.043569 -0.108045 0.117816 -0.052038 -0.026349 171 C 12 Z 0.105109 0.090812 -0.058766 -0.003662 -0.178837 172 C 12 X 0.348909 -0.469329 0.636313 -0.921172 -1.137071 173 C 12 Y -0.440034 -0.146419 -0.012662 -0.465396 -0.038618 174 C 12 Z -0.137036 -0.128777 0.145611 0.040872 0.165908 175 C 12 XX 0.005367 -0.070518 -0.116010 -0.007677 0.036399 176 C 12 YY -0.076455 -0.008114 -0.027175 0.022907 0.139140 177 C 12 ZZ 0.071088 0.078633 0.143186 -0.015230 -0.175539 178 C 12 XY 0.038809 -0.003067 -0.119433 0.042217 0.048791 179 C 12 XZ -0.009761 -0.034313 0.064122 -0.020177 0.160458 180 C 12 YZ 0.018537 0.065951 -0.182585 0.067459 0.081011 181 C 13 S 0.012624 0.140449 0.139346 0.163754 0.036630 182 C 13 S 0.015320 0.311906 0.313055 0.327020 0.046544 183 C 13 S -0.914741 -0.392035 0.085822 -0.773864 -0.191089 184 C 13 X 0.327520 -0.001767 -0.152196 -0.117566 -0.173914 185 C 13 Y -0.038197 -0.038557 -0.009171 -0.032401 -0.023248 186 C 13 Z 0.034519 -0.023564 0.011959 0.011468 0.015273 187 C 13 X -0.311335 -0.133878 -0.057035 -0.061894 0.124360 188 C 13 Y -0.374567 -0.109418 0.123240 -0.200240 0.104085 189 C 13 Z 0.012756 -0.038336 -0.181371 -0.319441 -0.200578 190 C 13 XX -0.183747 0.053849 0.071823 0.112343 0.157202 191 C 13 YY 0.251806 -0.109062 -0.156409 -0.129033 -0.096765 192 C 13 ZZ -0.068059 0.055214 0.084586 0.016690 -0.060437 193 C 13 XY -0.053125 0.106859 -0.021398 0.045865 0.048569 194 C 13 XZ 0.137119 -0.042433 -0.241919 -0.032642 0.080675 195 C 13 YZ -0.003870 -0.068950 -0.066188 -0.010528 -0.007063 196 C 14 S -0.019411 0.005074 0.081848 0.113428 -0.009920 197 C 14 S -0.034951 0.065649 0.172684 0.247198 -0.029899 198 C 14 S 0.318478 2.424252 -0.263912 -0.395409 -0.688420 199 C 14 X 0.021409 -0.053249 -0.035850 0.027369 -0.070981 200 C 14 Y -0.080896 -0.170684 0.016068 -0.004281 0.006296 201 C 14 Z -0.067730 -0.010154 -0.000968 0.012297 -0.105868 202 C 14 X 0.440206 0.681095 -0.274787 -0.378406 -0.586891 203 C 14 Y -0.223999 0.063191 0.075106 -0.013694 0.208550 204 C 14 Z 0.152575 0.059017 0.025071 0.059848 0.161978 205 C 14 XX -0.029100 -0.217323 -0.065113 -0.017404 -0.010443 206 C 14 YY -0.084033 -0.028772 0.010410 0.015944 0.096889 207 C 14 ZZ 0.113133 0.246095 0.054703 0.001461 -0.086445 208 C 14 XY -0.040500 0.060129 0.046171 0.009978 0.008853 209 C 14 XZ 0.052876 -0.157741 0.062830 -0.108395 0.041427 210 C 14 YZ 0.130912 0.167058 -0.028823 -0.003199 0.031308 211 F 15 S 0.002486 0.000427 -0.003496 0.003854 0.001681 212 F 15 S -0.013174 -0.008529 -0.041910 0.013835 0.050089 213 F 15 S -0.160369 -0.013163 -0.227622 0.014954 0.271340 214 F 15 X 0.031203 -0.011964 0.056416 0.033084 -0.133916 215 F 15 Y -0.023613 -0.056994 0.017345 -0.044947 -0.032486 216 F 15 Z -0.079088 -0.051355 -0.196827 0.027974 0.244157 217 F 15 X -0.066140 0.008577 -0.130064 0.025408 0.230289 218 F 15 Y 0.044733 0.049249 0.037089 0.064668 0.008159 219 F 15 Z 0.212593 0.145095 0.378278 -0.051968 -0.582151 220 F 15 XX -0.001106 0.000087 -0.005171 0.003724 0.014969 221 F 15 YY 0.000575 -0.007973 0.000194 -0.004456 0.000775 222 F 15 ZZ 0.000532 0.007886 0.004977 0.000732 -0.015744 223 F 15 XY 0.003734 0.002405 -0.006687 -0.000187 -0.003143 224 F 15 XZ -0.002803 -0.002362 -0.008920 0.004252 0.004521 225 F 15 YZ -0.000093 -0.001013 0.010055 -0.002383 -0.008986 226 F 16 S -0.004075 -0.004773 -0.004044 0.001034 0.011193 227 F 16 S -0.009184 -0.013960 -0.050231 0.017424 0.055587 228 F 16 S -0.041804 0.009565 -0.210256 0.136488 0.216830 229 F 16 X -0.063655 0.024368 0.087877 -0.047940 0.023598 230 F 16 Y 0.009078 -0.028134 -0.157894 0.078197 0.115654 231 F 16 Z 0.020619 0.045117 0.130373 -0.015875 -0.165770 232 F 16 X 0.028563 -0.030639 -0.119049 0.091948 0.071776 233 F 16 Y -0.030114 0.016012 0.435943 -0.142588 -0.227030 234 F 16 Z 0.008049 -0.009790 -0.252127 0.068641 0.210693 235 F 16 XX 0.005742 0.002677 -0.013413 0.006577 0.002895 236 F 16 YY -0.005601 -0.002624 0.021478 -0.006014 -0.005019 237 F 16 ZZ -0.000141 -0.000053 -0.008066 -0.000563 0.002124 238 F 16 XY 0.001044 -0.001802 -0.002303 -0.000121 0.004140 239 F 16 XZ -0.000161 -0.002610 0.000582 -0.004176 -0.002816 240 F 16 YZ 0.007779 0.001544 -0.005624 -0.001457 -0.004978 241 F 17 S -0.003346 -0.014565 -0.000731 0.008362 0.001541 242 F 17 S -0.026691 -0.098177 -0.009005 0.031170 0.006940 243 F 17 S -0.102437 -0.333694 -0.009358 0.065923 0.070411 244 F 17 X -0.039548 0.026782 0.047079 -0.003128 0.016100 245 F 17 Y 0.092303 0.165989 0.051459 -0.008620 -0.029280 246 F 17 Z 0.034742 0.305051 0.052835 -0.056989 0.001685 247 F 17 X -0.018542 -0.103677 -0.030001 0.074418 0.012286 248 F 17 Y -0.203186 -0.480522 -0.097730 0.030287 0.022809 249 F 17 Z -0.111001 -0.540915 -0.072145 0.077693 -0.024552 250 F 17 XX -0.003370 -0.010643 -0.003921 -0.001136 0.001064 251 F 17 YY 0.008444 0.014811 0.003651 0.000784 -0.003609 252 F 17 ZZ -0.005074 -0.004168 0.000270 0.000353 0.002545 253 F 17 XY 0.003822 0.009653 -0.003267 0.002799 -0.001300 254 F 17 XZ 0.004110 0.003985 -0.002620 -0.002442 -0.003217 255 F 17 YZ 0.002132 0.009740 0.003975 0.005644 0.003891 256 F 18 S 0.004076 -0.014365 0.003462 0.006776 -0.000034 257 F 18 S 0.005732 -0.089850 0.002517 0.013111 0.007632 258 F 18 S -0.073791 -0.302151 -0.036312 -0.026173 0.019330 259 F 18 X -0.010080 0.060335 0.014402 0.060515 -0.000050 260 F 18 Y -0.037292 -0.001512 0.045061 0.042422 0.009305 261 F 18 Z -0.043583 -0.292220 -0.030489 -0.006968 0.024468 262 F 18 X -0.057077 -0.151833 -0.041079 -0.005754 0.047859 263 F 18 Y 0.016972 -0.148940 -0.052388 -0.074479 0.002453 264 F 18 Z 0.027046 0.576407 0.069985 0.053849 -0.112095 265 F 18 XX 0.001564 -0.009477 0.001024 -0.007466 0.003916 266 F 18 YY 0.007221 0.007110 -0.004110 -0.001069 -0.001392 267 F 18 ZZ -0.008785 0.002367 0.003085 0.008535 -0.002523 268 F 18 XY 0.005062 0.003411 0.002652 0.005125 0.000167 269 F 18 XZ -0.006427 -0.002557 -0.004896 0.003776 0.004983 270 F 18 YZ -0.002388 -0.015709 -0.001335 -0.003465 0.003774 271 C 19 S -0.067783 0.105585 -0.085781 -0.088998 0.041661 272 C 19 S -0.138112 0.223682 -0.176881 -0.175875 0.094633 273 C 19 S 0.438973 0.063541 0.581629 0.291884 0.330201 274 C 19 X 0.038557 -0.043354 0.020516 0.032525 0.000022 275 C 19 Y -0.002163 -0.091881 0.017908 0.015871 -0.088518 276 C 19 Z 0.026881 -0.021058 0.006614 -0.017758 0.005271 277 C 19 X -0.144183 -0.017389 -0.290177 -0.122222 -0.199948 278 C 19 Y 0.108106 -0.178486 0.110162 0.013241 0.024341 279 C 19 Z -0.166541 0.124910 -0.145215 0.285639 -0.165494 280 C 19 XX 0.012792 -0.013011 0.023994 0.059206 0.009852 281 C 19 YY -0.073101 0.045812 -0.114413 -0.042661 -0.057513 282 C 19 ZZ 0.060309 -0.032801 0.090419 -0.016545 0.047660 283 C 19 XY 0.012751 0.001138 0.058892 0.064682 -0.000440 284 C 19 XZ 0.070129 -0.057962 0.075250 -0.131263 0.075286 285 C 19 YZ 0.042232 -0.010782 0.017274 -0.102348 0.051104 286 H 20 S -0.018228 0.047172 0.029051 -0.048144 0.053176 287 H 20 S 0.016305 0.026665 0.038739 -0.013921 0.067769 288 H 20 X -0.003973 -0.009710 0.026624 0.003086 -0.012009 289 H 20 Y 0.027434 -0.022164 0.095372 0.049872 0.019340 290 H 20 Z 0.029071 -0.006704 0.031064 -0.043275 0.029677 291 H 21 S -0.080156 0.107883 -0.110512 -0.042683 -0.016069 292 H 21 S -0.129268 0.106882 -0.134768 0.006103 -0.033033 293 H 21 X -0.058684 0.038824 -0.056374 0.075920 -0.055670 294 H 21 Y -0.032720 0.036248 -0.055915 0.016216 -0.017227 295 H 21 Z -0.028421 0.020162 -0.041475 -0.006214 -0.014756 296 C 22 S 0.037088 -0.088362 -0.001584 0.145645 -0.015071 297 C 22 S 0.080515 -0.189869 -0.013578 0.302455 -0.043897 298 C 22 S 0.141694 0.035399 -0.197730 -0.354952 -0.395552 299 C 22 X -0.021283 0.037048 0.045668 -0.038053 0.056171 300 C 22 Y 0.003289 -0.084762 -0.024788 0.086909 -0.034914 301 C 22 Z 0.031314 -0.009666 0.010619 0.008300 0.008358 302 C 22 X -0.127110 -0.000891 -0.223023 -0.163388 0.015398 303 C 22 Y 0.153647 -0.081308 -0.147285 -0.017935 -0.133813 304 C 22 Z -0.246864 -0.034105 -0.055392 -0.035470 -0.118483 305 C 22 XX 0.035048 0.012472 0.101766 0.107838 0.000094 306 C 22 YY 0.006690 0.000514 -0.035288 -0.061015 0.012243 307 C 22 ZZ -0.041738 -0.012986 -0.066478 -0.046823 -0.012337 308 C 22 XY -0.016214 -0.003970 -0.046196 -0.040782 -0.006390 309 C 22 XZ 0.004789 -0.004834 0.005145 -0.006929 -0.001653 310 C 22 YZ -0.137963 -0.021166 -0.032527 -0.024250 -0.042540 311 H 23 S -0.030896 -0.074949 -0.045738 0.049674 0.015915 312 H 23 S 0.100089 -0.041229 -0.084725 0.060415 -0.043814 313 H 23 X -0.007259 -0.017952 -0.062162 -0.053229 0.008172 314 H 23 Y 0.013773 0.020480 0.043360 0.051248 -0.027774 315 H 23 Z 0.041561 0.009260 0.014553 0.017718 0.002018 316 H 24 S 0.068015 -0.034439 0.045626 0.127033 0.035707 317 H 24 S 0.111593 -0.044233 0.050306 0.111227 0.024033 318 H 24 X -0.005010 0.010097 0.016135 0.026753 -0.004700 319 H 24 Y -0.086884 -0.017163 -0.042989 -0.054157 -0.021933 320 H 24 Z -0.017840 -0.004996 -0.028956 -0.039344 -0.006015 321 H 25 S 0.010511 -0.063755 0.055747 0.112457 0.004072 322 H 25 S -0.024169 -0.044858 0.027047 0.095140 -0.047267 323 H 25 X 0.009764 0.003621 0.028132 0.029188 -0.008221 324 H 25 Y 0.057597 0.021262 -0.021471 -0.023673 0.034533 325 H 25 Z -0.005311 -0.000473 0.016984 0.027706 -0.005565 326 C 26 S 0.156100 0.099870 0.124907 0.002778 0.156780 327 C 26 S 0.326271 0.195030 0.260974 -0.006095 0.309153 328 C 26 S -0.744153 -0.565348 -0.899440 -0.437334 -1.096056 329 C 26 X -0.017979 -0.025129 -0.037336 0.041481 0.055355 330 C 26 Y -0.084656 -0.018260 0.058820 -0.094073 -0.031782 331 C 26 Z 0.046215 0.016453 0.046760 -0.060091 0.030531 332 C 26 X -0.023186 0.135380 0.186255 -0.097345 -0.216392 333 C 26 Y 0.243021 0.071868 -0.238918 0.484345 0.203953 334 C 26 Z -0.089680 -0.174950 -0.207659 -0.344306 -0.346200 335 C 26 XX -0.049739 -0.021794 0.027693 -0.011499 -0.047415 336 C 26 YY 0.019384 -0.001013 -0.036248 0.081910 0.054485 337 C 26 ZZ 0.030355 0.022807 0.008555 -0.070411 -0.007071 338 C 26 XY -0.004422 -0.020037 0.012824 -0.024994 0.021383 339 C 26 XZ -0.003312 -0.048030 0.054107 -0.037435 -0.081789 340 C 26 YZ 0.023459 0.059826 -0.042535 0.151360 0.010904 341 H 27 S 0.133327 0.184386 0.075955 0.072344 0.160669 342 H 27 S 0.146823 0.045534 0.036989 0.028939 0.027928 343 H 27 X -0.009353 0.052728 -0.018144 0.016901 0.035490 344 H 27 Y 0.055989 -0.039731 0.022525 -0.017565 -0.033403 345 H 27 Z -0.016963 -0.030103 0.004306 -0.031224 0.017586 346 H 28 S -0.058556 0.139944 0.088538 -0.066962 -0.010486 347 H 28 S 0.067228 -0.046761 0.178742 -0.181147 -0.044436 348 H 28 X 0.004079 0.042943 -0.010853 0.007533 -0.008040 349 H 28 Y 0.045712 0.013170 -0.034621 0.064015 0.048963 350 H 28 Z 0.054313 0.006413 -0.010400 0.096122 0.094898 351 H 29 S 0.168813 -0.074112 0.130889 -0.002001 0.160502 352 H 29 S 0.072089 0.042559 -0.132202 0.081038 0.145971 353 H 29 X -0.021150 0.017239 0.015499 -0.047046 -0.033619 354 H 29 Y 0.017097 0.003385 -0.001623 -0.048038 0.052532 355 H 29 Z -0.028375 0.035056 0.020438 -0.003165 -0.063024 356 C 30 S 0.033724 0.122727 0.096485 -0.020379 0.052984 357 C 30 S 0.057330 0.251767 0.181106 -0.030179 0.082722 358 C 30 S 0.007754 -0.625170 -1.082525 0.484988 -0.716673 359 C 30 X 0.017332 -0.042198 0.017796 0.058613 0.015479 360 C 30 Y 0.002208 0.022212 -0.095210 0.031147 -0.014106 361 C 30 Z 0.001599 -0.048015 0.036078 -0.074416 0.061346 362 C 30 X -0.132821 0.068947 -0.063344 -0.228979 -0.194257 363 C 30 Y -0.089275 -0.079617 0.464182 -0.125533 -0.009051 364 C 30 Z -0.125119 0.071267 0.293799 -0.177617 0.149537 365 C 30 XX -0.025699 -0.026663 0.054097 -0.007635 0.015767 366 C 30 YY 0.016004 -0.000547 -0.026183 -0.040032 0.054275 367 C 30 ZZ 0.009695 0.027210 -0.027914 0.047667 -0.070042 368 C 30 XY -0.007223 -0.013043 0.006543 -0.022683 -0.024071 369 C 30 XZ 0.025494 -0.020907 0.028437 -0.006879 0.043519 370 C 30 YZ 0.075464 0.018788 -0.004223 -0.060501 0.084408 371 H 31 S 0.097277 0.030656 0.239562 -0.033221 0.149622 372 H 31 S -0.019975 0.031593 0.174274 -0.143814 0.001983 373 H 31 X 0.001899 -0.020745 0.006092 0.052345 -0.044683 374 H 31 Y -0.009369 -0.029091 0.065562 -0.015843 -0.002669 375 H 31 Z -0.011588 -0.038172 0.038032 0.010987 -0.024828 376 H 32 S -0.009119 0.084724 0.024113 -0.065138 -0.030588 377 H 32 S 0.034882 0.127586 -0.098018 -0.047535 0.047971 378 H 32 X 0.010642 0.011156 -0.008972 -0.047037 0.049736 379 H 32 Y 0.027723 -0.024659 0.045249 -0.082622 0.102660 380 H 32 Z 0.012442 0.020658 -0.053243 0.026891 -0.038955 381 H 33 S 0.035137 0.162299 -0.026479 0.098748 0.059371 382 H 33 S 0.097729 0.008635 -0.016045 0.098697 0.124866 383 H 33 X -0.020350 -0.000315 0.006899 -0.038300 0.003719 384 H 33 Y 0.012270 -0.008584 0.011553 0.035222 -0.023233 385 H 33 Z 0.040362 0.046129 -0.050507 0.047472 0.039132 386 H 34 S -0.059088 0.050130 -0.059481 -0.118010 0.013174 387 H 34 S -0.032774 0.031584 -0.081978 -0.107870 0.024570 388 H 34 X 0.024717 -0.012782 0.020630 -0.091029 0.038323 389 H 34 Y -0.007184 0.007686 -0.026863 -0.063601 0.016905 390 H 34 Z 0.010172 -0.006852 0.027000 0.021390 0.002396 391 F 35 S 0.008636 -0.001217 -0.006951 -0.006671 -0.008668 392 F 35 S 0.067211 -0.020210 -0.056013 -0.031378 -0.034118 393 F 35 S 0.189774 -0.059667 -0.144185 0.004532 0.001484 394 F 35 X -0.153626 0.118036 0.203174 0.085213 0.066646 395 F 35 Y -0.003741 0.010040 0.030331 0.020199 -0.022532 396 F 35 Z 0.171689 -0.027480 -0.147745 -0.040628 -0.042778 397 F 35 X 0.490763 -0.234871 -0.485976 -0.203371 -0.159461 398 F 35 Y 0.059862 0.017178 -0.076401 -0.014243 0.019791 399 F 35 Z -0.271105 0.055864 0.203197 0.105749 0.127693 400 F 35 XX -0.015297 0.010137 0.022832 0.010030 0.001438 401 F 35 YY 0.008407 -0.007567 -0.009301 -0.005407 -0.002958 402 F 35 ZZ 0.006890 -0.002570 -0.013531 -0.004624 0.001520 403 F 35 XY -0.002745 -0.007721 0.006743 0.000325 -0.003146 404 F 35 XZ 0.006801 -0.003284 0.000582 -0.008609 -0.012843 405 F 35 YZ 0.002566 0.002249 -0.002460 0.002968 -0.000594 406 F 36 S 0.014924 0.004191 -0.008181 -0.006133 -0.001750 407 F 36 S 0.072235 0.003412 -0.047771 -0.024227 -0.004917 408 F 36 S 0.188047 -0.014749 -0.134752 -0.023938 -0.024393 409 F 36 X 0.113459 0.050326 -0.050805 -0.064803 -0.104375 410 F 36 Y -0.007180 0.020589 -0.009212 -0.041287 0.024119 411 F 36 Z -0.200923 0.035312 0.178265 0.088492 0.063160 412 F 36 X -0.047469 -0.052564 -0.008781 0.065668 0.132740 413 F 36 Y 0.002649 -0.012547 -0.002813 0.075395 -0.029487 414 F 36 Z 0.381452 -0.107986 -0.340315 -0.118945 -0.031806 415 F 36 XX 0.000255 -0.007949 -0.006072 -0.000708 0.005660 416 F 36 YY 0.003614 -0.002374 -0.005011 -0.005390 -0.004595 417 F 36 ZZ -0.003870 0.010323 0.011083 0.006098 -0.001065 418 F 36 XY 0.002503 0.001505 -0.004125 0.003384 0.002297 419 F 36 XZ -0.007088 0.004144 0.015724 0.001195 -0.007993 420 F 36 YZ 0.002721 -0.000875 0.002897 -0.003677 -0.001762 421 C 37 S 0.155004 0.080631 0.070828 -0.096925 0.207782 422 C 37 S 0.308075 0.152903 0.155288 -0.206580 0.411769 423 C 37 S -1.761926 -1.427774 -0.535894 1.099025 -2.342953 424 C 37 X -0.019234 -0.015528 -0.023548 -0.006457 -0.038194 425 C 37 Y -0.072512 0.020379 -0.126988 -0.025777 -0.106576 426 C 37 Z 0.012126 -0.072405 0.094752 -0.100432 0.069046 427 C 37 X 0.859858 0.891837 0.108129 -0.533375 1.199426 428 C 37 Y -0.115171 0.325468 -0.632051 0.288892 -0.047906 429 C 37 Z -0.126684 0.362985 -0.407123 0.437704 -0.216653 430 C 37 XX -0.022171 -0.012878 0.042743 -0.019363 -0.001215 431 C 37 YY 0.041451 0.023586 -0.023242 0.019622 0.063094 432 C 37 ZZ -0.019280 -0.010708 -0.019501 -0.000258 -0.061879 433 C 37 XY -0.004818 0.056695 0.026323 -0.028634 0.053342 434 C 37 XZ 0.001967 -0.096641 0.080318 -0.138277 0.079945 435 C 37 YZ -0.086818 -0.060123 -0.013063 0.092481 -0.064375 436 S 38 S 0.074678 -0.010402 0.058585 0.031903 0.035644 437 S 38 S 0.538851 -0.076302 0.419791 0.232358 0.255441 438 S 38 S 0.697176 -0.102753 0.533288 0.306719 0.326265 439 S 38 S -2.019284 0.190824 -2.143512 -0.448421 -0.848474 440 S 38 X 0.008899 -0.056382 0.029047 0.030594 -0.013325 441 S 38 Y 0.016266 -0.021803 0.062774 0.007168 -0.008817 442 S 38 Z 0.000121 0.000995 -0.002580 0.001699 0.000075 443 S 38 X 0.027913 -0.207198 0.116804 0.099180 -0.045132 444 S 38 Y 0.084415 -0.075670 0.248449 0.043309 -0.021086 445 S 38 Z -0.000054 0.002177 -0.010025 -0.002663 0.003970 446 S 38 X -0.344114 -0.252063 0.130979 -0.314087 -0.662055 447 S 38 Y 0.754669 -0.120433 0.960333 0.128439 0.227189 448 S 38 Z -0.042581 0.094733 0.015927 0.017037 -0.008374 449 S 38 XX -0.033134 0.057179 0.030220 -0.039302 -0.048229 450 S 38 YY -0.161039 0.004979 -0.131975 -0.122544 -0.019317 451 S 38 ZZ 0.194173 -0.062158 0.101755 0.161846 0.067547 452 S 38 XY 0.036302 0.167544 -0.071933 0.079793 0.197570 453 S 38 XZ -0.095650 0.001699 -0.048273 0.126709 -0.102746 454 S 38 YZ -0.077247 -0.011580 -0.041407 0.146060 -0.095606 455 S 38 XX -0.005930 0.015524 -0.001089 -0.012339 -0.002918 456 S 38 YY -0.019604 -0.004865 -0.009404 -0.012940 -0.002759 457 S 38 ZZ 0.025533 -0.010658 0.010493 0.025279 0.005677 458 S 38 XY 0.003308 0.016614 -0.006762 0.008864 0.023014 459 S 38 XZ -0.014123 -0.000672 -0.007381 0.018437 -0.015939 460 S 38 YZ -0.011928 0.000025 -0.006630 0.022700 -0.014101 461 H 39 S -0.045612 -0.051420 -0.083126 0.078289 -0.118253 462 H 39 S -0.127295 -0.196884 0.045687 0.069644 -0.134432 463 H 39 X -0.048728 -0.026915 -0.018085 0.039984 -0.057640 464 H 39 Y 0.000046 0.027345 0.015832 0.017797 0.041209 465 H 39 Z 0.021886 -0.012970 0.025059 -0.066268 0.070256 246 247 248 249 250 1.4062 1.4307 1.4433 1.4443 1.4499 A A A A A 1 C 1 S 0.112953 -0.001856 -0.022338 0.061648 -0.191377 2 C 1 S 0.228149 0.001362 -0.052083 0.135294 -0.384114 3 C 1 S -1.653624 -0.156199 0.007921 -0.203458 2.690406 4 C 1 X -0.043904 0.014359 -0.021055 -0.002868 -0.038850 5 C 1 Y -0.000643 0.009871 -0.048734 0.054414 -0.066834 6 C 1 Z 0.004665 0.018547 -0.054071 0.014808 0.010909 7 C 1 X 1.038495 0.295212 0.162396 -0.035601 -0.676833 8 C 1 Y -0.375184 0.223107 0.066014 -0.382283 0.433276 9 C 1 Z -0.467456 0.251407 -0.279576 0.635825 -0.001915 10 C 1 XX -0.016963 0.035516 -0.043710 -0.000420 0.002068 11 C 1 YY 0.059436 -0.009247 0.033308 0.022256 -0.049709 12 C 1 ZZ -0.042474 -0.026269 0.010402 -0.021835 0.047641 13 C 1 XY 0.006702 0.030498 -0.010349 0.016319 -0.057084 14 C 1 XZ -0.064928 0.126479 -0.223558 0.217400 0.039420 15 C 1 YZ -0.031819 0.098158 -0.168582 0.146763 0.050353 16 C 2 S -0.090503 0.087205 0.019416 -0.018784 0.173280 17 C 2 S -0.184746 0.161647 0.022009 -0.033868 0.364151 18 C 2 S 0.956236 -1.962214 -0.974471 0.525784 -1.243304 19 C 2 X 0.020483 -0.047928 -0.002012 -0.035282 -0.024704 20 C 2 Y -0.096214 -0.132541 -0.087991 0.024927 0.179950 21 C 2 Z -0.026663 0.010110 -0.061443 0.088557 -0.011457 22 C 2 X 1.290587 0.661389 0.202127 -0.234294 -1.822172 23 C 2 Y 0.026012 -0.568609 -0.402875 0.310110 -0.583895 24 C 2 Z 0.169875 -0.137211 0.020843 -0.401950 0.143824 25 C 2 XX 0.070971 0.026479 0.022552 -0.037162 -0.070702 26 C 2 YY -0.050684 0.003073 0.038304 -0.001865 0.084086 27 C 2 ZZ -0.020287 -0.029552 -0.060856 0.039027 -0.013384 28 C 2 XY 0.074168 0.049001 -0.010917 0.010996 -0.104970 29 C 2 XZ 0.145651 -0.169105 0.227350 -0.302280 0.016649 30 C 2 YZ 0.050219 0.040900 -0.107191 -0.018696 0.067062 31 C 3 S -0.088667 -0.131811 0.002708 -0.058148 0.038539 32 C 3 S -0.175002 -0.323542 -0.014625 -0.123550 0.052120 33 C 3 S 0.949166 -2.318800 -2.266674 0.244219 -2.565275 34 C 3 X 0.116342 0.041331 -0.023608 -0.083891 0.101948 35 C 3 Y 0.056684 -0.032481 -0.010623 -0.031381 -0.138891 36 C 3 Z -0.132535 0.040593 0.044281 -0.078289 -0.074259 37 C 3 X -1.544799 1.509743 1.115866 0.905326 2.943188 38 C 3 Y -0.952081 -2.786547 -1.845383 0.856571 0.670604 39 C 3 Z -0.373077 -0.274493 0.636924 0.331937 0.083963 40 C 3 XX 0.089035 -0.060018 -0.067952 -0.024066 -0.047568 41 C 3 YY -0.090888 0.039604 0.024650 -0.028803 0.033220 42 C 3 ZZ 0.001853 0.020414 0.043303 0.052868 0.014348 43 C 3 XY -0.017672 0.031625 -0.024793 -0.021496 0.006032 44 C 3 XZ 0.005740 0.005595 0.056197 -0.047621 -0.012598 45 C 3 YZ 0.001072 -0.051090 0.105216 0.003263 -0.017353 46 C 4 S 0.082583 -0.038989 -0.076622 -0.035031 0.050593 47 C 4 S 0.180932 -0.049310 -0.156419 -0.056372 0.093925 48 C 4 S 0.360596 1.121415 0.962006 -0.236233 -1.235976 49 C 4 X 0.030313 -0.092538 -0.027097 -0.022017 0.055052 50 C 4 Y -0.021346 -0.051879 0.081065 -0.023489 -0.055187 51 C 4 Z -0.132542 -0.017496 0.163343 -0.036190 -0.071695 52 C 4 X -0.758431 -0.095203 -0.736138 0.404403 0.598277 53 C 4 Y -0.360135 0.317831 0.648273 0.479998 0.494345 54 C 4 Z 1.535938 0.377097 -2.029839 0.259723 0.824309 55 C 4 XX -0.025401 0.033534 0.030860 0.020381 -0.037785 56 C 4 YY 0.092623 -0.029150 -0.119661 -0.054577 0.051245 57 C 4 ZZ -0.067221 -0.004385 0.088801 0.034196 -0.013460 58 C 4 XY -0.047278 0.022991 0.024395 -0.009323 -0.048000 59 C 4 XZ 0.072327 -0.024023 -0.072752 -0.066366 -0.021527 60 C 4 YZ 0.061562 -0.028609 -0.080631 -0.010232 -0.008819 61 S 5 S -0.023204 0.041795 -0.010028 0.010963 0.000144 62 S 5 S -0.165720 0.302231 -0.075068 0.080692 -0.002200 63 S 5 S -0.209774 0.393277 -0.109519 0.108124 -0.017690 64 S 5 S 0.709554 -0.812377 0.094975 0.012851 -0.247800 65 S 5 X -0.015343 -0.012278 0.019324 -0.009806 0.005897 66 S 5 Y 0.022039 -0.008604 -0.003236 -0.014748 0.032694 67 S 5 Z -0.010333 0.001352 0.013795 0.017777 0.002555 68 S 5 X -0.062320 -0.033327 0.079323 -0.028568 0.022752 69 S 5 Y 0.100131 -0.026039 -0.016426 -0.068975 0.117274 70 S 5 Z -0.043457 -0.013868 0.102587 0.048302 -0.001991 71 S 5 X -0.353599 0.342040 -0.034229 -0.040330 0.141985 72 S 5 Y 0.088842 0.224961 0.102957 -0.125583 0.012820 73 S 5 Z 0.086627 -0.156323 0.307774 -0.327280 -0.109595 74 S 5 XX 0.078330 -0.074028 -0.066712 0.035763 -0.007437 75 S 5 YY -0.005283 -0.048489 -0.009527 -0.089307 0.082559 76 S 5 ZZ -0.073048 0.122517 0.076239 0.053544 -0.075121 77 S 5 XY -0.034970 -0.041383 0.007945 0.058509 -0.057391 78 S 5 XZ 0.059102 0.119471 -0.319413 0.156997 0.084657 79 S 5 YZ -0.127323 0.093007 -0.067607 0.186085 -0.046512 80 S 5 XX 0.006706 -0.011139 -0.007196 0.004757 -0.000595 81 S 5 YY -0.000523 -0.006827 -0.000997 -0.014743 0.015591 82 S 5 ZZ -0.006183 0.017966 0.008193 0.009986 -0.014996 83 S 5 XY -0.004114 -0.005227 0.001036 0.006544 -0.003660 84 S 5 XZ 0.008766 0.017022 -0.046015 0.023364 0.012954 85 S 5 YZ -0.018135 0.015245 -0.013903 0.028480 -0.006893 86 H 6 S 0.071253 0.140667 0.031045 -0.015288 -0.250839 87 H 6 S 0.218527 0.242776 0.003570 -0.007620 -0.445037 88 H 6 X -0.042986 0.054829 0.034303 0.020840 0.052300 89 H 6 Y 0.014181 -0.005712 0.013396 -0.019221 0.023370 90 H 6 Z -0.079435 0.100661 -0.134024 0.159374 -0.013134 91 C 7 S -0.070852 -0.033361 0.071273 -0.068276 0.129941 92 C 7 S -0.145111 -0.069431 0.139003 -0.151880 0.266083 93 C 7 S -0.852897 1.424333 0.756137 0.804757 0.041498 94 C 7 X -0.080759 0.049293 -0.000354 0.027260 -0.124814 95 C 7 Y -0.103586 -0.118422 -0.063170 0.003291 -0.226744 96 C 7 Z 0.084700 0.007209 -0.083615 0.000627 -0.030061 97 C 7 X 2.538528 -1.140680 -1.724882 -0.410470 1.111452 98 C 7 Y 2.207712 1.113480 -0.479145 -0.700261 -0.668226 99 C 7 Z -0.545781 0.668688 0.501297 -0.249727 -0.122596 100 C 7 XX 0.006179 0.028950 0.059807 0.044208 -0.014801 101 C 7 YY -0.044602 -0.032469 0.012098 -0.038410 -0.045662 102 C 7 ZZ 0.038423 0.003519 -0.071905 -0.005798 0.060463 103 C 7 XY -0.000140 0.018390 -0.053856 -0.016882 -0.017806 104 C 7 XZ 0.037763 -0.040416 0.067307 0.089850 -0.025413 105 C 7 YZ -0.003274 0.120417 -0.084362 -0.094233 -0.104700 106 C 8 S -0.051314 0.114424 0.052634 -0.055171 0.054186 107 C 8 S -0.082087 0.243919 0.107770 -0.121788 0.118285 108 C 8 S 1.121529 -1.236942 -0.424270 0.103457 -0.847983 109 C 8 X -0.008407 -0.107033 -0.020284 0.040887 0.036124 110 C 8 Y -0.005138 -0.000124 -0.015029 0.040494 -0.054024 111 C 8 Z 0.000897 0.013441 -0.033277 -0.034216 -0.022685 112 C 8 X -0.415738 0.225559 0.077587 -0.136672 -0.633334 113 C 8 Y -0.867464 0.221306 0.090091 0.063410 1.207406 114 C 8 Z -0.551044 0.117074 -0.250758 -0.532842 0.251880 115 C 8 XX -0.036502 0.073138 0.029904 -0.047922 0.027153 116 C 8 YY 0.028828 -0.036159 0.012364 0.041530 0.016762 117 C 8 ZZ 0.007674 -0.036980 -0.042268 0.006392 -0.043915 118 C 8 XY 0.002127 0.010851 -0.013954 -0.019083 0.029347 119 C 8 XZ 0.144207 -0.085986 0.028922 0.298774 0.085825 120 C 8 YZ -0.024267 0.033520 -0.066145 -0.143266 -0.006434 121 C 9 S 0.001782 -0.038372 0.040582 0.040903 0.015632 122 C 9 S 0.008933 -0.074923 0.079654 0.082881 0.039481 123 C 9 S 0.617422 0.605372 -0.374385 -0.101993 -0.323298 124 C 9 X 0.091491 -0.093019 -0.077875 -0.071020 0.051462 125 C 9 Y 0.004943 -0.027427 0.074031 0.021878 -0.103421 126 C 9 Z 0.098196 0.039655 -0.031475 0.015091 0.042122 127 C 9 X 0.148765 -0.484346 -0.063407 0.572554 0.217573 128 C 9 Y -1.408794 -0.235094 1.387151 0.228363 -0.151195 129 C 9 Z -0.882940 -0.746974 -0.269892 -0.211535 -0.212019 130 C 9 XX -0.035318 0.053645 0.010127 -0.010564 -0.090713 131 C 9 YY 0.052168 -0.013118 0.009720 0.006965 0.072779 132 C 9 ZZ -0.016850 -0.040527 -0.019846 0.003600 0.017934 133 C 9 XY 0.063501 -0.047213 -0.076360 0.000862 -0.008874 134 C 9 XZ -0.015618 0.035435 -0.055371 -0.065877 -0.084028 135 C 9 YZ 0.007647 0.012962 0.116659 0.054437 -0.028950 136 C 10 S 0.061533 -0.161723 -0.161217 0.010929 -0.233243 137 C 10 S 0.122582 -0.320665 -0.327117 0.022532 -0.438260 138 C 10 S 0.517961 1.560736 0.810588 -0.085888 4.651835 139 C 10 X 0.031878 -0.023558 -0.083915 0.000198 0.098649 140 C 10 Y 0.030546 0.182203 0.072090 -0.020295 -0.186479 141 C 10 Z -0.001621 0.079196 0.013997 -0.005796 0.029598 142 C 10 X 1.980470 -1.401684 -1.637158 -0.199653 -3.049137 143 C 10 Y 1.686468 -2.907592 -2.225062 -0.481157 0.093591 144 C 10 Z -0.329119 -0.531021 0.194710 0.335095 0.094486 145 C 10 XX 0.026053 -0.013389 0.007000 -0.006682 -0.028450 146 C 10 YY -0.023700 0.006945 -0.015407 0.013382 -0.032227 147 C 10 ZZ -0.002354 0.006443 0.008407 -0.006699 0.060677 148 C 10 XY 0.110656 0.075479 -0.003536 -0.014560 0.186789 149 C 10 XZ 0.003351 -0.043268 0.063185 0.093215 0.068392 150 C 10 YZ 0.050978 0.016230 -0.090408 0.012506 0.108123 151 C 11 S 0.016845 0.157695 0.109793 0.050882 -0.007729 152 C 11 S 0.034163 0.308906 0.215425 0.107657 -0.003362 153 C 11 S -0.566389 -1.809573 -0.885780 -0.126043 1.655150 154 C 11 X -0.018268 -0.160666 -0.096603 0.056661 -0.078829 155 C 11 Y -0.079872 -0.049065 -0.018423 0.047836 0.177925 156 C 11 Z -0.008951 -0.031092 -0.006859 -0.014892 0.000819 157 C 11 X -0.102327 5.307440 3.152324 -0.313646 3.265556 158 C 11 Y 2.251179 -1.332596 -1.346835 -0.903581 -3.063964 159 C 11 Z 0.278510 0.605844 -0.391063 -0.269997 0.177624 160 C 11 XX -0.043389 0.117102 0.093993 -0.004353 0.005601 161 C 11 YY 0.012042 -0.042166 -0.062052 0.012227 -0.049781 162 C 11 ZZ 0.031346 -0.074936 -0.031941 -0.007874 0.044180 163 C 11 XY -0.041503 0.000110 0.043834 -0.028747 -0.048471 164 C 11 XZ 0.117655 0.006870 -0.094085 -0.013190 0.031879 165 C 11 YZ -0.017948 0.028042 0.011124 -0.061911 -0.122728 166 C 12 S -0.123671 -0.001903 0.071739 0.034834 0.188670 167 C 12 S -0.253434 -0.025471 0.129145 0.076758 0.351475 168 C 12 S 1.007555 -1.186213 -1.121823 -0.153732 -3.437501 169 C 12 X 0.061630 -0.044070 -0.041070 0.036613 -0.143583 170 C 12 Y -0.029433 0.161592 0.129805 0.019224 0.141522 171 C 12 Z 0.007754 -0.086454 -0.001022 0.012719 -0.069862 172 C 12 X 0.421952 0.529155 -0.034391 -0.020723 -1.113667 173 C 12 Y -0.188212 0.550637 0.350132 0.096988 0.225248 174 C 12 Z -0.102408 0.396089 0.093445 -0.059597 0.395926 175 C 12 XX 0.057487 -0.027010 -0.071802 -0.016156 -0.180023 176 C 12 YY -0.037897 0.123513 0.095795 0.021472 0.166882 177 C 12 ZZ -0.019590 -0.096503 -0.023992 -0.005316 0.013141 178 C 12 XY -0.048225 -0.102376 -0.017542 -0.010397 0.062843 179 C 12 XZ 0.127666 0.066906 -0.063580 -0.032161 0.013832 180 C 12 YZ 0.070522 0.047238 -0.026562 -0.007178 -0.012439 181 C 13 S -0.234107 -0.212450 0.022501 -0.033947 0.083471 182 C 13 S -0.480528 -0.433671 0.053429 -0.070390 0.169801 183 C 13 S 0.711556 0.396264 -0.303525 0.250909 -0.451070 184 C 13 X 0.064718 -0.022820 0.031181 -0.029445 0.058662 185 C 13 Y -0.043928 0.062193 0.066407 0.027900 0.065497 186 C 13 Z 0.012219 0.082949 0.034271 0.010262 -0.035269 187 C 13 X 0.177729 0.070027 -0.129371 0.102991 0.107511 188 C 13 Y -0.275259 0.819169 0.454483 -0.002585 0.546257 189 C 13 Z 0.239383 0.114407 -0.010676 -0.003139 -0.166452 190 C 13 XX -0.034063 0.058766 -0.019221 0.007203 0.033864 191 C 13 YY 0.131820 0.061869 0.029965 -0.001545 -0.085214 192 C 13 ZZ -0.097757 -0.120635 -0.010744 -0.005658 0.051351 193 C 13 XY -0.003314 0.064952 0.055599 -0.025228 0.067051 194 C 13 XZ 0.128082 0.137933 -0.020868 -0.009243 0.151089 195 C 13 YZ -0.052549 0.071736 0.086552 0.021096 0.111629 196 C 14 S -0.050248 -0.210025 -0.071145 -0.035478 0.109106 197 C 14 S -0.094386 -0.395547 -0.124700 -0.081713 0.262529 198 C 14 S 0.592944 4.206199 2.388037 -0.465453 1.209371 199 C 14 X 0.105166 0.169994 0.048761 -0.030182 0.097288 200 C 14 Y -0.054845 0.082077 0.000915 0.022781 0.098787 201 C 14 Z 0.054528 0.150088 -0.067495 -0.061697 0.052880 202 C 14 X 0.889070 0.751199 0.182459 -0.081146 -0.659821 203 C 14 Y -0.288747 0.957918 0.680124 -0.031978 0.674779 204 C 14 Z -0.089447 -0.216755 0.111295 0.135666 -0.062205 205 C 14 XX -0.012276 0.065894 0.013952 0.016717 -0.045601 206 C 14 YY 0.063783 0.040486 -0.072675 0.009886 -0.035177 207 C 14 ZZ -0.051506 -0.106380 0.058722 -0.026603 0.080778 208 C 14 XY 0.010184 0.177740 0.094371 0.000751 0.061395 209 C 14 XZ -0.108945 -0.030594 0.195113 0.142075 0.045030 210 C 14 YZ -0.009712 -0.170113 0.092228 -0.006677 -0.031409 211 F 15 S -0.000281 0.000720 0.002682 -0.001957 -0.012529 212 F 15 S 0.006510 0.020921 0.013207 -0.005549 -0.021930 213 F 15 S 0.019272 0.089725 0.058109 0.020417 0.134986 214 F 15 X -0.018008 0.009857 -0.040137 -0.026650 -0.047370 215 F 15 Y 0.028223 0.069669 0.020285 0.012963 0.033304 216 F 15 Z 0.050283 0.114988 0.034039 -0.016734 0.040448 217 F 15 X -0.000837 -0.039559 0.040818 0.028512 0.054186 218 F 15 Y -0.055896 -0.146383 -0.037093 -0.015212 -0.039087 219 F 15 Z -0.098888 -0.279069 -0.074142 0.028263 -0.145887 220 F 15 XX 0.004669 0.000913 -0.002489 -0.002257 0.010698 221 F 15 YY 0.002858 0.007345 0.000611 -0.000472 -0.007086 222 F 15 ZZ -0.007527 -0.008259 0.001879 0.002730 -0.003611 223 F 15 XY 0.006812 0.001133 -0.002641 -0.000717 -0.000297 224 F 15 XZ -0.002948 -0.002913 0.000033 0.000126 -0.006649 225 F 15 YZ -0.005091 -0.011226 -0.002243 0.000366 0.000907 226 F 16 S -0.002754 0.001701 0.003505 0.000964 0.002820 227 F 16 S -0.005806 0.005620 0.007088 0.000178 0.011004 228 F 16 S -0.017215 0.050547 0.009455 -0.020058 0.162413 229 F 16 X -0.016011 -0.025760 0.040910 0.055127 -0.033340 230 F 16 Y 0.042338 -0.017083 -0.053200 -0.012003 -0.058774 231 F 16 Z 0.001696 -0.062909 -0.034266 0.003554 0.040089 232 F 16 X 0.001152 0.018263 -0.051733 -0.056796 0.026639 233 F 16 Y -0.062829 0.010988 0.070953 0.023811 0.069086 234 F 16 Z 0.013129 -0.013309 -0.007134 -0.015261 -0.069714 235 F 16 XX -0.001081 -0.009718 -0.003130 -0.001299 0.000702 236 F 16 YY -0.001329 0.000987 0.000005 0.000903 0.002922 237 F 16 ZZ 0.002410 0.008732 0.003125 0.000396 -0.003623 238 F 16 XY 0.009506 0.002205 -0.006324 -0.001751 -0.016398 239 F 16 XZ -0.000123 0.003753 0.004308 0.002331 0.005226 240 F 16 YZ 0.006000 -0.007847 -0.007361 -0.001275 -0.012171 241 F 17 S 0.002090 -0.007739 -0.004402 -0.006252 -0.010223 242 F 17 S -0.000791 -0.023279 -0.031321 -0.012980 -0.035489 243 F 17 S -0.096084 -0.117856 -0.109666 0.055319 -0.003493 244 F 17 X 0.080925 0.011190 0.037022 -0.042547 -0.038084 245 F 17 Y 0.001882 -0.088011 0.040982 -0.001659 0.015169 246 F 17 Z 0.019457 0.120437 0.137623 -0.006337 0.168434 247 F 17 X -0.152644 0.004266 -0.010683 0.055706 0.098830 248 F 17 Y 0.015304 0.114823 -0.199615 0.016061 -0.105936 249 F 17 Z -0.062380 -0.141023 -0.231845 0.009097 -0.189068 250 F 17 XX -0.004865 0.003342 -0.002610 0.000311 0.003638 251 F 17 YY -0.003535 -0.010585 0.008212 -0.000126 0.005345 252 F 17 ZZ 0.008400 0.007243 -0.005602 -0.000185 -0.008983 253 F 17 XY 0.004249 -0.014728 -0.011818 -0.006175 -0.004727 254 F 17 XZ 0.007872 -0.003273 -0.006491 -0.002880 -0.003329 255 F 17 YZ -0.004016 -0.009953 0.004884 -0.000702 0.007113 256 F 18 S -0.001214 -0.006350 0.001581 -0.000691 -0.001840 257 F 18 S -0.004073 -0.042300 -0.004817 0.006746 -0.025872 258 F 18 S 0.005622 -0.196143 -0.133594 0.029187 -0.119774 259 F 18 X 0.013295 0.114710 -0.008315 -0.024380 0.077807 260 F 18 Y -0.025987 0.060129 0.036620 -0.040856 0.065161 261 F 18 Z 0.004487 -0.162100 -0.104388 0.056473 -0.176915 262 F 18 X -0.049412 -0.138098 0.010226 0.010249 -0.067992 263 F 18 Y 0.054046 -0.088401 -0.087795 0.080393 -0.147669 264 F 18 Z 0.027940 0.373012 0.126995 -0.146591 0.323354 265 F 18 XX -0.006950 -0.004265 0.005109 0.007729 0.004148 266 F 18 YY 0.003786 -0.007536 0.000563 -0.000291 -0.010479 267 F 18 ZZ 0.003164 0.011800 -0.005672 -0.007438 0.006331 268 F 18 XY -0.007304 -0.013917 -0.000474 0.000685 0.002206 269 F 18 XZ -0.001145 0.002300 -0.001841 -0.002781 -0.005057 270 F 18 YZ 0.002345 0.005107 -0.004185 0.005723 -0.012419 271 C 19 S 0.009596 -0.180704 -0.057389 0.040000 -0.005168 272 C 19 S 0.025219 -0.365234 -0.113636 0.078067 -0.020193 273 C 19 S 0.360831 0.887793 0.300359 -0.174821 -0.303569 274 C 19 X 0.011885 0.031806 0.019395 -0.003867 0.041074 275 C 19 Y -0.040215 0.055489 0.010705 -0.008669 0.049329 276 C 19 Z -0.041983 0.015108 0.004377 -0.025376 -0.001545 277 C 19 X -0.273120 -0.166063 -0.068447 0.050838 0.350585 278 C 19 Y -0.032955 -0.084457 -0.057182 -0.028681 -0.109615 279 C 19 Z 0.268662 -0.069631 0.142169 0.290809 -0.054396 280 C 19 XX 0.048485 0.030678 0.026447 -0.000117 -0.027080 281 C 19 YY -0.067982 -0.046502 -0.001710 0.048684 0.098563 282 C 19 ZZ 0.019498 0.015824 -0.024737 -0.048568 -0.071483 283 C 19 XY 0.081535 0.048267 0.024490 0.010862 -0.068533 284 C 19 XZ -0.101638 0.017196 -0.078012 -0.122313 0.038234 285 C 19 YZ -0.111690 0.018425 -0.061005 -0.145127 0.034155 286 H 20 S 0.055949 -0.086742 -0.055264 0.019834 -0.069580 287 H 20 S 0.076329 -0.072522 -0.000240 -0.011708 -0.106996 288 H 20 X 0.012128 0.018436 0.000266 -0.003516 -0.026795 289 H 20 Y 0.093736 0.052212 0.010851 -0.018017 -0.088296 290 H 20 Z -0.030565 0.018010 -0.027411 -0.070092 -0.005277 291 H 21 S -0.002192 -0.124190 -0.018878 0.032982 0.016772 292 H 21 S 0.055232 -0.118628 0.002482 0.103294 0.065263 293 H 21 X 0.072054 -0.029274 0.065466 0.124375 -0.014032 294 H 21 Y 0.008144 -0.020264 0.030732 0.053196 0.025492 295 H 21 Z -0.008905 -0.025981 0.004716 0.028003 0.022310 296 C 22 S -0.018922 -0.122434 -0.002170 -0.052459 0.238906 297 C 22 S -0.046484 -0.250815 -0.010350 -0.109964 0.482106 298 C 22 S -0.124796 0.632372 -0.050333 0.109803 -1.210307 299 C 22 X 0.036363 0.016546 0.007088 0.021576 -0.049579 300 C 22 Y -0.019533 -0.042661 -0.022751 -0.037563 0.060328 301 C 22 Z -0.025281 0.016692 -0.016295 0.024652 0.006166 302 C 22 X -0.238670 -0.090774 -0.014175 0.061963 0.186988 303 C 22 Y -0.204416 0.022804 -0.030321 0.047334 -0.177454 304 C 22 Z 0.260043 -0.157088 0.138669 -0.363858 0.039588 305 C 22 XX 0.075981 0.012265 0.003055 -0.031509 0.019005 306 C 22 YY -0.033846 0.016638 -0.009401 0.040880 -0.050442 307 C 22 ZZ -0.042134 -0.028903 0.006346 -0.009371 0.031437 308 C 22 XY -0.032575 -0.011046 -0.005363 0.005155 0.018377 309 C 22 XZ -0.022520 0.031254 -0.054222 0.054762 0.010859 310 C 22 YZ 0.154762 -0.095274 0.096164 -0.209557 0.024732 311 H 23 S -0.060542 -0.080031 0.009056 -0.013451 0.162919 312 H 23 S -0.143504 -0.140816 -0.019819 0.001972 0.180027 313 H 23 X -0.052648 -0.019369 -0.003968 0.028348 0.003030 314 H 23 Y 0.041068 0.016347 0.003427 -0.031363 0.015627 315 H 23 Z -0.039650 0.038023 -0.045343 0.061273 0.000418 316 H 24 S -0.000577 -0.073963 0.024702 -0.023426 0.127621 317 H 24 S -0.039062 -0.005183 -0.040327 0.061203 0.090504 318 H 24 X 0.021650 0.001639 0.024877 -0.033103 -0.008361 319 H 24 Y 0.062845 -0.063156 0.070396 -0.116587 0.024946 320 H 24 Z 0.001385 -0.012004 0.003033 -0.004274 -0.005055 321 H 25 S 0.057265 -0.075212 -0.010035 -0.055219 0.173285 322 H 25 S 0.097902 -0.099065 0.051299 -0.138413 0.094886 323 H 25 X 0.012127 0.020333 -0.014529 0.010212 0.006579 324 H 25 Y -0.119863 0.061552 -0.070058 0.157899 -0.017966 325 H 25 Z 0.018707 -0.005162 0.000530 -0.013682 0.018842 326 C 26 S 0.085496 0.067307 0.114307 0.051852 -0.004096 327 C 26 S 0.169493 0.139757 0.229395 0.104390 -0.008244 328 C 26 S -1.083758 -0.764284 -0.501373 -0.258696 -0.067702 329 C 26 X 0.015304 -0.078424 0.013745 0.023224 -0.007000 330 C 26 Y 0.101556 -0.044872 -0.056800 0.003131 0.032066 331 C 26 Z -0.039665 -0.006193 0.053360 0.031868 -0.012622 332 C 26 X 0.113992 0.167171 -0.253696 -0.114555 -0.165604 333 C 26 Y -0.378758 0.077566 0.303573 -0.003324 -0.276223 334 C 26 Z -0.370471 -0.278259 -0.022822 -0.061507 -0.000941 335 C 26 XX 0.048708 0.028548 -0.074699 -0.020088 0.016483 336 C 26 YY -0.046828 0.011220 0.074210 -0.007712 -0.053280 337 C 26 ZZ -0.001879 -0.039767 0.000489 0.027800 0.036797 338 C 26 XY 0.021505 -0.047125 -0.006240 0.032624 0.049005 339 C 26 XZ -0.094785 0.128947 -0.039531 -0.109411 -0.015728 340 C 26 YZ -0.058726 0.067694 0.039057 -0.024630 -0.098852 341 H 27 S 0.060687 0.046134 0.110415 0.056205 -0.121643 342 H 27 S -0.019621 0.077204 0.062041 -0.008080 -0.082646 343 H 27 X -0.015650 0.045903 -0.025904 -0.016173 -0.038327 344 H 27 Y -0.054307 0.021013 0.066924 -0.007202 -0.025091 345 H 27 Z 0.102616 -0.080983 -0.034993 0.056110 0.139162 346 H 28 S 0.146882 0.020659 -0.063279 0.040393 0.025733 347 H 28 S 0.180027 0.028019 -0.067579 -0.028971 0.102511 348 H 28 X 0.001119 -0.012631 0.026799 0.044937 -0.039078 349 H 28 Y -0.064063 0.012542 0.103224 0.015288 -0.068499 350 H 28 Z -0.025989 0.040230 0.122015 0.005309 -0.082844 351 H 29 S -0.024213 0.038667 0.199333 0.048049 0.092035 352 H 29 S -0.125777 -0.024160 0.235841 0.027722 -0.058257 353 H 29 X 0.003135 0.038665 -0.068970 -0.032821 0.001677 354 H 29 Y 0.026174 -0.016063 -0.003641 -0.009203 0.033510 355 H 29 Z 0.010047 0.089209 -0.148078 -0.092174 -0.039681 356 C 30 S 0.073566 0.064600 -0.009378 0.006912 -0.072180 357 C 30 S 0.145287 0.130811 -0.003916 0.004860 -0.159936 358 C 30 S -1.141219 -0.663629 1.098606 -0.288950 -0.113281 359 C 30 X -0.062191 -0.034938 0.000930 0.018465 0.037084 360 C 30 Y -0.070953 0.002096 -0.019685 0.026316 -0.032145 361 C 30 Z 0.057550 0.024957 -0.092877 0.055497 0.056676 362 C 30 X 0.263777 0.138260 0.287241 0.086157 -0.117218 363 C 30 Y 0.592198 0.097386 -0.205301 -0.019719 0.189591 364 C 30 Z 0.258080 0.159818 -0.398302 0.143495 0.140190 365 C 30 XX 0.064694 0.027641 -0.067489 0.005518 0.033217 366 C 30 YY -0.066148 -0.029438 -0.013913 0.012252 0.011491 367 C 30 ZZ 0.001454 0.001796 0.081402 -0.017770 -0.044708 368 C 30 XY 0.004338 0.015958 0.038803 0.003724 -0.029274 369 C 30 XZ -0.093482 0.033214 -0.057871 0.014126 0.028803 370 C 30 YZ -0.120468 -0.013650 0.091074 0.037703 -0.038012 371 H 31 S 0.144187 0.087830 0.020312 0.015863 -0.016948 372 H 31 S 0.238614 0.041860 -0.064775 -0.019869 0.036760 373 H 31 X -0.013265 0.038871 -0.014063 0.015999 0.052343 374 H 31 Y 0.067060 0.017093 0.023520 -0.007915 0.009218 375 H 31 Z 0.057273 0.021048 0.046360 -0.019260 0.004292 376 H 32 S -0.027035 0.071917 0.101981 0.050485 -0.025321 377 H 32 S 0.107234 0.092855 0.032955 0.002661 -0.152550 378 H 32 X 0.000161 -0.011993 0.018552 0.018404 -0.014287 379 H 32 Y -0.037245 -0.030851 0.045162 0.027058 -0.027688 380 H 32 Z -0.011069 -0.023589 0.098034 0.005541 -0.013272 381 H 33 S 0.026004 -0.013878 -0.079935 -0.108979 -0.063881 382 H 33 S -0.219686 -0.032856 -0.106933 0.039580 0.001098 383 H 33 X 0.052992 0.009539 -0.003696 0.001944 0.005948 384 H 33 Y 0.007589 -0.001328 0.061995 0.002729 -0.001488 385 H 33 Z -0.112683 -0.029533 -0.064370 -0.045889 -0.021219 386 H 34 S -0.039280 -0.133775 -0.064623 0.041337 0.060878 387 H 34 S -0.106991 -0.069073 -0.052076 -0.059486 0.052290 388 H 34 X -0.090795 0.009476 -0.070679 -0.113110 0.023708 389 H 34 Y -0.072251 -0.013546 -0.045533 -0.030958 0.052004 390 H 34 Z 0.032805 0.019842 0.005009 -0.007441 -0.014022 391 F 35 S 0.007770 0.003840 -0.001150 0.000146 -0.001681 392 F 35 S 0.037063 0.018958 -0.002652 -0.000827 0.004909 393 F 35 S 0.018468 0.019662 0.013149 -0.005740 0.106017 394 F 35 X -0.146458 -0.134460 0.010295 -0.003537 -0.046419 395 F 35 Y -0.019843 -0.147090 -0.076265 0.031469 -0.116956 396 F 35 Z 0.041890 -0.019634 -0.003080 -0.014851 -0.062257 397 F 35 X 0.276290 0.206937 -0.002950 -0.010869 0.114591 398 F 35 Y 0.059040 0.124070 0.064776 -0.048802 0.107859 399 F 35 Z -0.068360 0.051903 -0.007274 0.019107 0.080141 400 F 35 XX -0.015335 -0.011927 0.001853 -0.000408 -0.006620 401 F 35 YY 0.004332 0.001392 0.000359 0.000530 0.000632 402 F 35 ZZ 0.011003 0.010535 -0.002212 -0.000122 0.005988 403 F 35 XY -0.005426 -0.007593 -0.003180 0.003188 -0.003833 404 F 35 XZ 0.002829 -0.002639 0.001657 0.000083 -0.006580 405 F 35 YZ 0.002495 -0.003826 -0.002016 -0.002262 -0.000562 406 F 36 S -0.001895 -0.014195 0.004196 0.001040 0.009882 407 F 36 S 0.011741 -0.021952 0.015179 0.001216 0.019005 408 F 36 S 0.070208 0.066091 0.021508 -0.028116 -0.064075 409 F 36 X 0.042547 0.003156 -0.013870 0.010304 0.100039 410 F 36 Y 0.050303 0.091241 0.006795 -0.007781 0.003297 411 F 36 Z -0.144653 -0.104351 -0.026243 0.011593 0.083931 412 F 36 X -0.027984 0.019196 0.013800 -0.020091 -0.066074 413 F 36 Y -0.061254 -0.142773 -0.023047 0.004182 0.014921 414 F 36 Z 0.255454 0.237712 0.059384 -0.014587 -0.130944 415 F 36 XX 0.003886 0.006867 0.000401 0.000630 -0.004938 416 F 36 YY 0.009388 0.010343 0.000336 0.000968 -0.002399 417 F 36 ZZ -0.013274 -0.017211 -0.000737 -0.001598 0.007337 418 F 36 XY 0.001980 -0.002180 -0.001874 -0.001583 0.001210 419 F 36 XZ -0.007254 -0.008431 0.002156 0.000398 -0.009367 420 F 36 YZ 0.006087 0.000178 -0.003981 0.000125 -0.010164 421 C 37 S 0.017781 -0.064206 -0.043999 0.037494 -0.054332 422 C 37 S 0.019068 -0.124315 -0.084663 0.080683 -0.104948 423 C 37 S -0.476352 0.963458 0.018052 -0.423251 1.448970 424 C 37 X -0.018116 0.042439 -0.002115 0.003790 0.014559 425 C 37 Y -0.136911 -0.045851 0.039425 0.028100 -0.001444 426 C 37 Z 0.039789 0.001620 -0.054912 -0.068953 0.099051 427 C 37 X 0.917811 -0.803831 0.113522 0.020915 0.023904 428 C 37 Y -0.392849 0.248557 -0.070071 0.276186 0.704707 429 C 37 Z 0.117683 0.094357 0.371314 0.365448 -0.195732 430 C 37 XX 0.021863 0.057675 0.002812 0.012100 -0.011159 431 C 37 YY -0.031845 0.026428 0.008117 -0.066136 -0.012831 432 C 37 ZZ 0.009983 -0.084103 -0.010929 0.054036 0.023990 433 C 37 XY 0.048454 -0.033981 0.010281 -0.004839 -0.095722 434 C 37 XZ -0.032401 -0.071476 -0.215674 -0.140807 0.118344 435 C 37 YZ 0.172024 -0.111311 0.065323 0.268754 0.064290 436 S 38 S 0.061050 0.020459 -0.023739 -0.012851 -0.013926 437 S 38 S 0.437299 0.146965 -0.170878 -0.092152 -0.098396 438 S 38 S 0.553283 0.186602 -0.218422 -0.113259 -0.115171 439 S 38 S -2.175266 -0.696341 0.649167 0.355585 0.318866 440 S 38 X -0.014339 0.045532 0.020390 -0.005128 -0.008248 441 S 38 Y 0.048570 0.042480 0.002614 -0.011069 -0.017055 442 S 38 Z -0.001045 0.002254 -0.005688 -0.010050 -0.003865 443 S 38 X -0.075769 0.163426 0.089665 -0.010466 -0.051725 444 S 38 Y 0.196417 0.164744 -0.002252 -0.059009 -0.100892 445 S 38 Z 0.019269 -0.010883 -0.013906 -0.002825 -0.003754 446 S 38 X -0.462340 0.026175 0.135848 -0.005119 -0.436625 447 S 38 Y 0.780999 0.267573 -0.321868 -0.198521 -0.479322 448 S 38 Z 0.241827 -0.148600 0.038281 0.287747 0.029730 449 S 38 XX -0.009467 -0.014482 -0.057538 -0.034518 -0.143537 450 S 38 YY -0.123622 -0.067902 0.099142 0.087564 0.204307 451 S 38 ZZ 0.133089 0.082384 -0.041604 -0.053046 -0.060770 452 S 38 XY 0.232128 -0.026922 -0.150269 -0.060323 0.075062 453 S 38 XZ 0.163243 -0.069322 0.073564 0.256058 0.009074 454 S 38 YZ -0.098178 0.123505 0.003219 -0.101178 -0.098238 455 S 38 XX -0.004138 -0.008819 -0.008337 -0.002723 -0.017508 456 S 38 YY -0.011207 -0.003441 0.013030 0.010287 0.024200 457 S 38 ZZ 0.015345 0.012260 -0.004693 -0.007564 -0.006692 458 S 38 XY 0.028672 0.000233 -0.019682 -0.009119 0.009858 459 S 38 XZ 0.024793 -0.011267 0.011237 0.040242 0.002699 460 S 38 YZ -0.013482 0.017555 -0.000569 -0.014994 -0.015898 461 H 39 S -0.316940 0.098565 -0.042573 0.026749 -0.141512 462 H 39 S -0.252649 0.219432 -0.069628 0.069555 -0.044004 463 H 39 X -0.037544 0.027981 0.001452 -0.012080 -0.027747 464 H 39 Y 0.037954 0.026243 -0.016337 0.008808 -0.046012 465 H 39 Z -0.085160 0.002114 -0.167836 -0.198464 0.023375 251 252 253 254 255 1.4655 1.4722 1.4894 1.5011 1.5181 A A A A A 1 C 1 S 0.029961 0.112199 0.074133 -0.034014 0.006754 2 C 1 S 0.061357 0.244826 0.176408 -0.077973 0.005204 3 C 1 S -0.269214 -0.205557 0.549907 -0.135695 -0.354204 4 C 1 X 0.161392 -0.002061 -0.054174 0.079183 0.037197 5 C 1 Y 0.051176 0.121924 0.061979 -0.033061 -0.082619 6 C 1 Z 0.017768 0.026439 0.016660 -0.002976 0.012273 7 C 1 X -1.249910 -0.078095 -0.469923 -0.873620 -1.551289 8 C 1 Y 0.635090 -0.913724 0.079299 0.508501 2.694536 9 C 1 Z -0.183387 -0.327678 -0.171402 0.099319 0.136332 10 C 1 XX 0.038914 0.012778 -0.017639 -0.015992 0.096642 11 C 1 YY -0.008935 0.029561 0.077357 -0.010644 -0.040112 12 C 1 ZZ -0.029979 -0.042339 -0.059718 0.026637 -0.056530 13 C 1 XY -0.015832 0.022568 -0.003059 -0.039371 0.016641 14 C 1 XZ -0.052427 -0.035342 -0.029711 -0.057875 0.101850 15 C 1 YZ -0.020337 -0.006122 0.002601 -0.110382 0.219693 16 C 2 S 0.047036 -0.083876 0.005915 0.052085 0.027871 17 C 2 S 0.115496 -0.162149 0.019039 0.106810 0.036692 18 C 2 S -0.586662 1.911836 0.659034 -1.008880 -1.758131 19 C 2 X -0.075158 -0.017087 -0.150368 -0.062389 -0.041094 20 C 2 Y 0.084533 0.075346 0.093751 0.075653 -0.065772 21 C 2 Z -0.014052 -0.063101 -0.050141 -0.011582 0.042486 22 C 2 X -0.423822 -0.756443 -1.667823 0.185458 -0.935532 23 C 2 Y 0.064877 0.795401 -0.040607 -0.178843 -1.005271 24 C 2 Z 0.257872 0.508677 0.221689 -0.082096 0.035305 25 C 2 XX 0.072224 -0.005565 -0.002142 0.012395 0.050984 26 C 2 YY 0.032698 -0.016141 0.064007 0.049434 0.023769 27 C 2 ZZ -0.104922 0.021706 -0.061865 -0.061829 -0.074753 28 C 2 XY 0.019526 -0.071238 -0.067341 0.019798 0.003328 29 C 2 XZ 0.058482 0.077945 0.073897 -0.027933 0.010566 30 C 2 YZ 0.083804 0.199196 0.014310 -0.064753 0.067271 31 C 3 S 0.047563 -0.025733 0.029262 -0.062164 0.020647 32 C 3 S 0.078789 -0.046870 0.039540 -0.151318 0.062387 33 C 3 S -0.962710 -0.424408 -1.785846 -0.649659 0.658501 34 C 3 X -0.017575 -0.231425 -0.242253 0.025591 -0.103820 35 C 3 Y 0.031627 -0.170515 -0.163489 0.017746 -0.005626 36 C 3 Z 0.052701 0.082055 0.015666 -0.016532 -0.100219 37 C 3 X 0.045408 1.303614 4.078042 -0.328048 -0.353485 38 C 3 Y 0.363198 2.375745 1.976032 -0.426164 -0.316736 39 C 3 Z -0.351055 -0.721703 0.090178 0.242278 -0.142980 40 C 3 XX 0.093851 -0.012156 -0.074469 0.080110 0.018248 41 C 3 YY 0.007676 -0.003960 -0.023999 0.017596 0.043250 42 C 3 ZZ -0.101526 0.016116 0.098467 -0.097706 -0.061498 43 C 3 XY 0.100886 0.014391 -0.058393 0.030127 -0.061047 44 C 3 XZ -0.099926 -0.086765 0.034584 -0.094862 0.037742 45 C 3 YZ -0.076106 -0.167647 0.008413 -0.049972 0.115258 46 C 4 S -0.140119 0.036967 -0.016255 -0.009356 -0.219594 47 C 4 S -0.301510 0.059422 -0.023524 -0.015495 -0.405386 48 C 4 S 0.237079 -2.081747 -2.009932 0.050925 1.902484 49 C 4 X -0.233715 0.006412 0.159267 0.046110 0.144075 50 C 4 Y 0.027971 -0.054052 0.101354 -0.117994 0.093352 51 C 4 Z 0.095107 0.006458 -0.034536 0.014934 -0.029395 52 C 4 X 0.917995 0.307984 0.704187 -0.182702 -0.287869 53 C 4 Y -0.879100 0.002856 0.631554 0.001817 -0.232845 54 C 4 Z 0.052211 1.041613 1.015915 -0.150866 0.650679 55 C 4 XX -0.028277 -0.027088 -0.043861 0.032812 0.023293 56 C 4 YY 0.065258 0.053040 -0.008427 0.066728 -0.014685 57 C 4 ZZ -0.036980 -0.025952 0.052287 -0.099540 -0.008608 58 C 4 XY 0.061399 -0.065116 -0.078641 0.012764 -0.031162 59 C 4 XZ 0.011357 0.024984 -0.037209 0.069044 -0.052782 60 C 4 YZ 0.058219 0.065750 -0.025065 0.070357 -0.022028 61 S 5 S 0.034800 -0.027630 0.012448 0.014278 0.040277 62 S 5 S 0.250599 -0.198547 0.089885 0.106770 0.287679 63 S 5 S 0.322245 -0.261511 0.108081 0.157221 0.357014 64 S 5 S -0.912294 0.955573 -0.053042 -0.090641 -1.239298 65 S 5 X 0.020759 -0.008922 -0.004562 -0.009297 0.033854 66 S 5 Y -0.064254 -0.010189 0.007066 -0.002472 -0.008140 67 S 5 Z -0.010892 -0.003781 -0.005963 0.001611 -0.007710 68 S 5 X 0.091984 -0.021247 0.018946 -0.027314 0.160334 69 S 5 Y -0.258586 -0.034572 0.030942 -0.026483 -0.045127 70 S 5 Z -0.034475 -0.012833 -0.026147 0.007307 -0.051451 71 S 5 X 0.426082 -0.399293 0.048993 0.136942 0.573684 72 S 5 Y -0.077950 -0.106584 -0.041425 -0.138164 0.200714 73 S 5 Z -0.038928 0.063431 0.024114 0.009262 -0.137568 74 S 5 XX -0.122476 0.044656 -0.127191 -0.100077 -0.221574 75 S 5 YY 0.004181 -0.021768 0.036515 0.088151 0.098150 76 S 5 ZZ 0.118294 -0.022888 0.090676 0.011926 0.123424 77 S 5 XY -0.027936 -0.027064 -0.070765 0.009655 -0.066311 78 S 5 XZ 0.022624 0.003382 0.008638 0.003193 0.159743 79 S 5 YZ -0.076230 -0.071838 -0.080511 -0.050286 0.056660 80 S 5 XX -0.012711 0.004182 -0.020698 -0.014226 -0.027396 81 S 5 YY -0.006643 -0.005106 0.004476 0.010372 0.009570 82 S 5 ZZ 0.019353 0.000924 0.016222 0.003854 0.017826 83 S 5 XY -0.011229 -0.005790 -0.008896 0.001508 -0.006952 84 S 5 XZ 0.001011 0.000871 0.000614 0.001340 0.022375 85 S 5 YZ -0.009488 -0.010323 -0.012004 -0.008857 0.010787 86 H 6 S -0.130338 -0.101078 -0.388350 0.102615 -0.281597 87 H 6 S 0.051586 -0.128885 -0.357152 -0.005092 -0.264323 88 H 6 X 0.001180 -0.035794 0.047985 0.051527 0.031509 89 H 6 Y 0.025059 0.002784 0.059309 -0.028501 0.061027 90 H 6 Z -0.070234 -0.147247 -0.012994 -0.009129 0.072002 91 C 7 S 0.047737 -0.063534 -0.000410 -0.094079 0.089102 92 C 7 S 0.097924 -0.112466 -0.000653 -0.169690 0.191801 93 C 7 S -0.882960 2.700284 -0.790612 3.586616 -1.631619 94 C 7 X 0.071704 0.177607 0.078844 -0.034426 -0.137149 95 C 7 Y 0.090586 -0.112285 -0.031116 -0.266194 0.000970 96 C 7 Z -0.055847 -0.010748 0.081158 0.068386 -0.008106 97 C 7 X -0.657546 -1.631408 0.942560 -1.901115 1.985024 98 C 7 Y 0.347241 -0.395062 1.112254 -0.024218 -0.194257 99 C 7 Z -0.001199 0.266969 -0.136360 0.269699 -0.173143 100 C 7 XX 0.096459 0.009412 -0.061581 0.006180 0.022950 101 C 7 YY 0.017186 -0.019517 0.048924 -0.019755 0.085210 102 C 7 ZZ -0.113645 0.010105 0.012657 0.013576 -0.108160 103 C 7 XY -0.038812 -0.018994 -0.029617 0.021499 -0.087263 104 C 7 XZ 0.129817 -0.140626 -0.000361 -0.101654 -0.053353 105 C 7 YZ -0.019436 -0.005490 0.133883 -0.072378 -0.033488 106 C 8 S 0.041463 -0.135172 -0.092759 -0.005360 0.077709 107 C 8 S 0.067199 -0.309717 -0.176145 -0.023251 0.166045 108 C 8 S -1.402766 0.433622 1.562268 0.261478 -0.628146 109 C 8 X 0.013036 0.037448 -0.015943 -0.073063 -0.026485 110 C 8 Y 0.099697 0.141123 -0.035041 0.079190 -0.025281 111 C 8 Z -0.024616 0.040718 0.017277 0.019554 0.000236 112 C 8 X -0.816520 -0.099670 0.695310 1.056123 0.051073 113 C 8 Y -0.713660 -0.886522 0.104536 -1.139472 -0.074304 114 C 8 Z 0.087523 -0.343757 -0.210682 -0.071268 -0.134855 115 C 8 XX -0.012550 -0.093886 -0.019070 -0.050602 0.070477 116 C 8 YY 0.019288 0.025878 0.006849 0.011862 0.000681 117 C 8 ZZ -0.006739 0.068008 0.012220 0.038740 -0.071158 118 C 8 XY -0.018303 -0.047821 -0.015585 -0.037750 0.034115 119 C 8 XZ 0.177005 0.024216 -0.060888 0.136496 -0.170438 120 C 8 YZ -0.041740 -0.019834 -0.019655 0.008523 0.003768 121 C 9 S -0.192095 -0.117729 0.061795 -0.083703 -0.005859 122 C 9 S -0.370666 -0.227882 0.113052 -0.165291 -0.041309 123 C 9 S 2.470761 2.230457 -0.007375 0.758057 -1.111132 124 C 9 X -0.206521 -0.103240 0.014268 -0.044316 0.136175 125 C 9 Y -0.075427 -0.055445 0.055852 -0.022377 -0.001307 126 C 9 Z -0.069895 -0.005857 0.040344 0.021532 -0.015783 127 C 9 X 0.896048 1.150866 -0.376651 -0.188758 -0.148672 128 C 9 Y 0.471417 -0.250137 -0.836894 -0.224455 -0.523626 129 C 9 Z 0.792154 0.028385 -0.612429 -0.284852 -0.655728 130 C 9 XX 0.031593 0.128435 0.019794 0.067360 -0.014340 131 C 9 YY -0.030224 -0.151738 0.003437 -0.085727 0.061478 132 C 9 ZZ -0.001369 0.023304 -0.023231 0.018366 -0.047139 133 C 9 XY -0.041357 0.027798 0.100649 0.027535 -0.000585 134 C 9 XZ -0.052440 0.064928 -0.016554 0.062136 -0.079263 135 C 9 YZ -0.022346 -0.098918 0.025946 -0.057280 0.041962 136 C 10 S -0.017492 0.069166 -0.085776 0.001604 -0.107384 137 C 10 S -0.041576 0.160714 -0.117175 0.009627 -0.205555 138 C 10 S -0.325736 -0.602400 3.918880 -0.246632 1.681657 139 C 10 X -0.056583 0.068428 0.089442 0.183538 -0.042473 140 C 10 Y -0.057413 0.023558 -0.103891 0.119089 -0.127362 141 C 10 Z 0.017443 0.050297 0.060829 -0.002953 0.043702 142 C 10 X 1.315189 -2.046825 0.651647 -3.294004 0.225919 143 C 10 Y -0.075566 -1.525522 -0.692297 -3.373952 2.313561 144 C 10 Z 0.004757 -0.153468 -0.320970 0.409614 -0.261779 145 C 10 XX -0.008898 -0.017047 0.005165 -0.037544 0.041143 146 C 10 YY 0.023044 0.015136 -0.004237 0.047438 0.025784 147 C 10 ZZ -0.014147 0.001911 -0.000927 -0.009894 -0.066927 148 C 10 XY 0.052842 -0.077731 0.024847 -0.093815 -0.016876 149 C 10 XZ -0.025937 0.036257 -0.111671 0.030100 -0.019515 150 C 10 YZ -0.016220 0.107854 0.051723 -0.028698 0.095351 151 C 11 S -0.191094 0.031789 -0.104305 0.117325 -0.168064 152 C 11 S -0.402591 0.045118 -0.204736 0.205266 -0.357976 153 C 11 S 0.983512 -0.974303 2.371755 -3.078198 1.934318 154 C 11 X -0.114681 0.044348 0.018620 -0.107780 0.015934 155 C 11 Y -0.000502 0.001567 0.046521 -0.034249 0.081253 156 C 11 Z -0.020209 -0.001515 -0.019944 -0.013057 0.047788 157 C 11 X 0.351620 0.110503 0.145972 2.264691 -1.214833 158 C 11 Y -0.308952 -1.093844 -3.971492 -1.054325 0.482851 159 C 11 Z 0.138797 0.517088 0.271362 -0.291719 0.076401 160 C 11 XX 0.017633 -0.085760 0.068222 -0.009368 -0.011929 161 C 11 YY -0.028677 0.060250 -0.098717 0.014727 0.029782 162 C 11 ZZ 0.011044 0.025510 0.030495 -0.005359 -0.017853 163 C 11 XY -0.114170 0.032266 -0.130203 0.091588 0.077106 164 C 11 XZ 0.051053 0.051908 -0.021216 -0.024149 0.086006 165 C 11 YZ -0.122452 -0.103101 -0.003111 -0.047356 0.040829 166 C 12 S -0.020341 0.246473 -0.020252 -0.071119 0.007892 167 C 12 S -0.008426 0.487662 -0.038918 -0.153446 -0.009393 168 C 12 S 1.151511 -1.899575 0.041185 -1.226471 -0.370904 169 C 12 X 0.126292 -0.100374 -0.018603 -0.056758 -0.071710 170 C 12 Y -0.092274 0.148685 -0.020565 0.052061 0.061203 171 C 12 Z 0.022613 -0.038694 -0.047392 -0.026482 -0.062342 172 C 12 X 0.148118 -0.047980 -0.050315 -0.182520 -0.775284 173 C 12 Y -0.269166 0.555844 -0.021146 0.511051 -0.472554 174 C 12 Z -0.049498 0.302211 0.218201 -0.038769 0.101188 175 C 12 XX 0.061301 -0.161887 -0.030095 0.045660 -0.061311 176 C 12 YY -0.047169 0.087331 0.020577 -0.121554 0.111077 177 C 12 ZZ -0.014132 0.074556 0.009518 0.075893 -0.049765 178 C 12 XY -0.059824 -0.017194 0.077601 0.225663 0.101713 179 C 12 XZ 0.012948 0.060234 -0.016236 -0.087897 0.003744 180 C 12 YZ 0.117193 -0.165352 0.008927 -0.198783 -0.043703 181 C 13 S 0.013899 0.019168 0.027042 0.016443 0.206598 182 C 13 S 0.025839 0.037640 0.052123 0.037097 0.413765 183 C 13 S -0.165317 0.126675 -0.048736 -0.258095 -1.273012 184 C 13 X -0.069857 0.040723 0.038238 0.036826 0.009226 185 C 13 Y -0.041569 0.062722 -0.006454 0.076495 -0.029360 186 C 13 Z 0.001555 -0.005996 -0.002504 0.002621 -0.047515 187 C 13 X 0.107753 -0.089665 0.094129 -0.155286 -0.124434 188 C 13 Y -0.082653 0.701952 0.029360 0.003556 -0.081861 189 C 13 Z -0.197801 0.185920 -0.141804 0.112559 -0.168131 190 C 13 XX 0.083290 -0.078828 0.100459 -0.119321 0.000936 191 C 13 YY -0.062831 0.057300 -0.104426 0.006379 -0.054252 192 C 13 ZZ -0.020460 0.021528 0.003968 0.112941 0.053316 193 C 13 XY -0.047992 0.130650 -0.143616 -0.106535 0.174378 194 C 13 XZ 0.030719 -0.008626 0.210072 -0.207065 -0.110240 195 C 13 YZ -0.028532 -0.161299 0.163596 0.176033 0.014888 196 C 14 S 0.064339 -0.183201 0.075830 0.061044 0.047284 197 C 14 S 0.136383 -0.367284 0.127943 0.142233 0.111706 198 C 14 S -0.289384 0.707330 -1.640002 1.563638 -0.743108 199 C 14 X 0.075128 0.002763 -0.139781 0.068344 -0.041373 200 C 14 Y -0.022250 0.149541 -0.000474 -0.031752 0.030523 201 C 14 Z 0.017255 0.066142 0.037025 0.019434 -0.010202 202 C 14 X -0.235553 -0.103542 -0.899942 0.345441 -0.823442 203 C 14 Y 0.071987 0.130366 0.093224 0.485144 0.148879 204 C 14 Z -0.002683 -0.305682 -0.080428 0.003366 -0.118100 205 C 14 XX -0.077740 0.191184 -0.119354 -0.057235 0.092728 206 C 14 YY 0.164554 -0.201783 0.169626 -0.103117 -0.187253 207 C 14 ZZ -0.086814 0.010598 -0.050272 0.160352 0.094525 208 C 14 XY 0.056737 -0.111801 0.106912 0.044847 -0.074089 209 C 14 XZ -0.008343 -0.086295 0.066042 0.078683 -0.139685 210 C 14 YZ -0.105743 -0.090940 -0.124760 0.101493 0.161761 211 F 15 S -0.003776 0.011461 -0.015319 -0.005795 0.002603 212 F 15 S -0.016992 0.030977 -0.043541 -0.013125 0.009902 213 F 15 S -0.058952 0.033711 -0.027268 0.048099 -0.015396 214 F 15 X 0.092583 0.030933 0.091371 -0.114254 -0.046774 215 F 15 Y -0.013751 0.075379 -0.096609 -0.029364 0.039582 216 F 15 Z -0.066835 -0.010753 -0.068345 0.089931 0.023560 217 F 15 X -0.100443 -0.072006 -0.103558 0.114532 0.123142 218 F 15 Y -0.006828 -0.066310 0.106727 0.108481 -0.002236 219 F 15 Z 0.128506 -0.018316 0.082301 -0.118191 -0.075786 220 F 15 XX -0.000525 -0.004619 0.003668 -0.001408 0.005239 221 F 15 YY -0.004183 0.000212 -0.001071 0.010344 -0.000336 222 F 15 ZZ 0.004708 0.004407 -0.002597 -0.008936 -0.004903 223 F 15 XY 0.002495 -0.007518 0.002147 -0.013551 0.000176 224 F 15 XZ -0.001533 -0.011758 0.000006 0.007311 0.005241 225 F 15 YZ -0.005932 0.007496 0.002171 0.013874 0.003666 226 F 16 S 0.000644 -0.000448 0.008572 0.010681 0.003952 227 F 16 S 0.008218 -0.018027 0.028972 0.037395 0.008392 228 F 16 S 0.015275 -0.015770 0.038556 -0.000375 0.040032 229 F 16 X -0.053996 0.045609 0.003206 0.087015 0.065891 230 F 16 Y 0.084160 -0.195319 0.131623 0.054922 -0.043469 231 F 16 Z 0.046260 -0.036930 0.057674 -0.224011 0.049769 232 F 16 X 0.120153 -0.102473 -0.004268 -0.117104 -0.092190 233 F 16 Y -0.130937 0.341826 -0.181143 -0.111794 0.089207 234 F 16 Z -0.037857 -0.024675 -0.070013 0.339619 -0.075950 235 F 16 XX -0.001723 -0.006128 0.001527 0.006979 0.007358 236 F 16 YY -0.001580 0.015694 -0.003279 0.002892 -0.003903 237 F 16 ZZ 0.003303 -0.009566 0.001752 -0.009871 -0.003455 238 F 16 XY 0.009955 -0.012140 -0.005930 -0.015109 -0.009966 239 F 16 XZ -0.002371 0.004611 0.001160 -0.001564 0.002282 240 F 16 YZ 0.001079 -0.010886 0.002250 0.013380 -0.007569 241 F 17 S 0.001687 0.001312 -0.002717 -0.001153 0.004229 242 F 17 S 0.007245 0.019144 -0.002731 -0.019826 0.013622 243 F 17 S 0.042872 -0.006621 0.089163 -0.085014 0.038216 244 F 17 X 0.019457 -0.012315 -0.257951 -0.064434 0.095053 245 F 17 Y -0.018199 -0.100030 -0.018165 0.205271 0.046682 246 F 17 Z 0.039973 -0.108939 0.022360 0.018160 -0.118385 247 F 17 X 0.007280 -0.008832 0.341710 0.065725 -0.071527 248 F 17 Y 0.058316 0.211920 0.052652 -0.386482 -0.119559 249 F 17 Z -0.063261 0.268408 -0.011245 -0.059930 0.210864 250 F 17 XX -0.002034 0.010449 0.004110 -0.004491 0.009348 251 F 17 YY -0.007790 -0.000856 -0.009285 0.014100 0.010879 252 F 17 ZZ 0.009824 -0.009593 0.005176 -0.009609 -0.020227 253 F 17 XY -0.000984 0.004802 -0.007130 -0.005203 0.011167 254 F 17 XZ 0.000913 0.000223 -0.007055 -0.003281 -0.002612 255 F 17 YZ 0.004692 -0.018524 0.003946 0.008120 0.002635 256 F 18 S -0.001250 -0.006414 -0.013231 0.022122 0.015456 257 F 18 S -0.001559 -0.020343 -0.032615 0.046443 0.039846 258 F 18 S 0.027674 -0.016835 0.094865 -0.118896 -0.002836 259 F 18 X 0.047038 -0.020371 0.040742 0.139647 -0.184304 260 F 18 Y -0.048066 0.021515 -0.029246 0.053418 0.034839 261 F 18 Z -0.007650 0.039379 -0.031800 -0.010117 0.016552 262 F 18 X -0.046176 0.021881 -0.062423 -0.177157 0.319023 263 F 18 Y 0.101509 -0.056501 0.083840 -0.149023 -0.154973 264 F 18 Z 0.027551 -0.006241 0.041409 0.069861 -0.025717 265 F 18 XX 0.000980 0.001560 0.011170 -0.003379 -0.007177 266 F 18 YY -0.009096 0.004533 -0.018230 0.004398 0.008595 267 F 18 ZZ 0.008116 -0.006093 0.007061 -0.001019 -0.001417 268 F 18 XY -0.001173 -0.000695 0.001565 0.002587 0.010081 269 F 18 XZ -0.004402 0.009013 -0.006358 -0.007791 0.016329 270 F 18 YZ 0.007514 0.000085 0.007500 -0.012848 -0.017111 271 C 19 S -0.267207 -0.010733 0.186423 -0.052696 -0.111486 272 C 19 S -0.531083 -0.017423 0.368788 -0.100557 -0.220099 273 C 19 S 2.136320 0.484456 -1.443723 0.463590 0.665285 274 C 19 X 0.020768 -0.037771 -0.004863 -0.004014 0.033973 275 C 19 Y 0.006854 -0.041536 -0.014711 -0.001321 0.026098 276 C 19 Z 0.004547 -0.013752 -0.008861 -0.015547 0.013429 277 C 19 X -0.287089 -0.098747 0.045155 -0.561030 -0.242285 278 C 19 Y -0.435905 -0.095724 0.418192 0.154269 -0.127483 279 C 19 Z -0.201630 0.105164 0.214343 -0.052795 0.097883 280 C 19 XX 0.026470 -0.020121 0.002070 0.051418 0.046731 281 C 19 YY -0.004417 0.021370 -0.049464 -0.141414 -0.044541 282 C 19 ZZ -0.022053 -0.001249 0.047394 0.089997 -0.002190 283 C 19 XY 0.083735 0.017246 -0.022720 0.105551 0.048327 284 C 19 XZ 0.072061 -0.051238 -0.071083 0.038417 -0.043876 285 C 19 YZ 0.005267 -0.044174 -0.043852 -0.050355 0.020969 286 H 20 S -0.163654 0.005112 0.157961 0.082429 -0.055088 287 H 20 S -0.180744 -0.032203 0.165887 0.143179 0.025551 288 H 20 X 0.013201 -0.000126 -0.003695 0.038047 0.013744 289 H 20 Y 0.021144 -0.036655 0.030701 0.132196 0.071041 290 H 20 Z -0.012382 -0.019855 0.002959 0.008817 0.025974 291 H 21 S -0.214883 0.002466 0.128105 -0.132816 -0.022224 292 H 21 S -0.145566 0.000391 0.090679 -0.077571 -0.024155 293 H 21 X -0.018637 0.049995 0.027896 -0.022527 0.022496 294 H 21 Y -0.012673 0.032592 0.003128 -0.073091 0.030841 295 H 21 Z -0.034061 0.021268 0.015213 -0.050463 -0.004269 296 C 22 S -0.287053 0.019802 -0.070370 -0.061071 -0.430050 297 C 22 S -0.569627 0.038494 -0.142777 -0.114736 -0.827469 298 C 22 S 2.076737 -0.515761 0.387660 0.833003 4.020473 299 C 22 X -0.007609 0.015547 0.017938 -0.022525 -0.041273 300 C 22 Y -0.058731 -0.027062 -0.045863 0.025123 0.018766 301 C 22 Z -0.015742 -0.005887 -0.005906 -0.005456 0.012770 302 C 22 X 0.155321 0.159390 0.047519 0.115880 -0.399737 303 C 22 Y 0.670066 -0.073735 0.169379 0.394597 1.142607 304 C 22 Z 0.185142 0.118993 0.120767 -0.038008 0.211665 305 C 22 XX -0.167257 -0.019264 -0.041228 -0.111481 -0.079021 306 C 22 YY 0.107887 -0.002792 0.026686 0.070891 0.112484 307 C 22 ZZ 0.059370 0.022055 0.014542 0.040590 -0.033462 308 C 22 XY 0.048504 0.041235 0.026333 0.009655 -0.014475 309 C 22 XZ -0.008598 -0.011867 -0.004595 -0.021548 0.056027 310 C 22 YZ 0.094462 0.083435 0.060784 -0.013473 0.049204 311 H 23 S -0.105939 0.011452 -0.021563 0.022536 -0.288563 312 H 23 S 0.002803 0.090338 0.038960 0.053592 -0.110647 313 H 23 X 0.079817 0.022429 0.042656 0.057532 0.044459 314 H 23 Y -0.080536 -0.016863 -0.044737 -0.061104 -0.057523 315 H 23 Z -0.028494 -0.020103 -0.017077 -0.016005 0.014332 316 H 24 S -0.232889 -0.002104 -0.060484 -0.027987 -0.378072 317 H 24 S -0.207607 -0.021158 -0.053327 -0.051969 -0.176197 318 H 24 X -0.009542 -0.006557 -0.008948 0.004327 -0.021600 319 H 24 Y 0.070004 0.061901 0.054520 -0.025485 0.039471 320 H 24 Z 0.058517 0.015175 0.027653 0.011473 0.056437 321 H 25 S -0.208817 0.017104 -0.030072 -0.101008 -0.229137 322 H 25 S -0.148738 0.024639 -0.009919 -0.065079 -0.148396 323 H 25 X -0.018220 -0.026110 -0.017130 -0.026580 0.048879 324 H 25 Y -0.031545 -0.033734 -0.023207 0.038104 -0.086549 325 H 25 Z -0.033432 -0.007649 -0.015540 -0.024699 -0.014238 326 C 26 S 0.058820 0.088211 0.079816 0.056235 -0.026397 327 C 26 S 0.121766 0.179545 0.159955 0.106459 -0.054466 328 C 26 S -0.163178 -0.674806 -0.757860 -0.569308 -0.145785 329 C 26 X -0.011998 -0.048475 -0.048161 -0.011174 0.008209 330 C 26 Y -0.030911 -0.119194 -0.029809 0.027436 0.024999 331 C 26 Z -0.005434 0.023486 0.030434 -0.019041 -0.023597 332 C 26 X -0.432034 -0.157418 0.298164 0.020078 0.031952 333 C 26 Y 0.040948 0.418477 0.280515 -0.112453 -0.114158 334 C 26 Z 0.027787 -0.295291 -0.295128 -0.238861 -0.121296 335 C 26 XX -0.046625 -0.002260 0.007945 0.023023 0.015156 336 C 26 YY 0.046176 0.028330 0.024026 -0.014087 0.012285 337 C 26 ZZ 0.000450 -0.026070 -0.031971 -0.008936 -0.027441 338 C 26 XY 0.039956 -0.016905 -0.033661 -0.011550 0.009710 339 C 26 XZ -0.091550 -0.030338 0.136446 0.010391 0.017877 340 C 26 YZ 0.029070 0.079912 0.063158 -0.046556 -0.029228 341 H 27 S -0.042213 0.054041 0.103564 0.036124 -0.040399 342 H 27 S -0.118738 0.142816 0.232461 -0.009576 -0.031669 343 H 27 X -0.042449 0.108031 0.117078 0.015656 -0.013648 344 H 27 Y 0.015386 -0.057322 -0.029811 -0.050713 0.010598 345 H 27 Z 0.115087 -0.001018 -0.143462 0.037318 0.021509 346 H 28 S -0.018970 0.061063 0.035490 0.061831 -0.037438 347 H 28 S 0.060322 -0.234401 -0.132332 0.014209 0.038752 348 H 28 X 0.047626 -0.012823 -0.103340 -0.036921 -0.035228 349 H 28 Y 0.033554 0.026324 0.022287 -0.056372 0.019488 350 H 28 Z 0.037375 0.019335 0.071491 -0.033484 0.063127 351 H 29 S 0.137666 0.077874 0.048855 0.014712 -0.007837 352 H 29 S 0.220420 0.151467 -0.038959 0.002546 -0.062102 353 H 29 X -0.065340 0.030592 0.067816 0.027296 -0.005230 354 H 29 Y -0.031550 0.039518 0.072168 0.019305 0.041692 355 H 29 Z -0.126684 0.014281 0.069664 0.065526 -0.042365 356 C 30 S 0.013657 -0.005671 0.025545 -0.114187 0.074952 357 C 30 S 0.026544 -0.025359 0.031455 -0.226257 0.135043 358 C 30 S -0.146633 -0.407614 -0.676985 0.596589 -1.097247 359 C 30 X -0.039483 0.069791 0.056299 0.019391 0.016810 360 C 30 Y -0.002233 0.005736 -0.022098 -0.043503 0.002307 361 C 30 Z 0.042269 0.061962 0.096520 0.024742 0.087257 362 C 30 X -0.390146 -0.273036 -0.053686 -0.027675 0.112655 363 C 30 Y 0.096072 0.068794 0.387726 0.094243 0.268047 364 C 30 Z 0.010725 0.039648 0.133352 -0.166137 0.342194 365 C 30 XX -0.002681 0.019822 0.070597 0.026531 0.094594 366 C 30 YY 0.022659 0.023901 -0.062510 0.009232 -0.051778 367 C 30 ZZ -0.019978 -0.043722 -0.008086 -0.035763 -0.042816 368 C 30 XY -0.055228 -0.035590 -0.001062 -0.025231 0.003984 369 C 30 XZ 0.074851 0.049197 0.083075 0.038189 -0.013072 370 C 30 YZ -0.001787 -0.020717 -0.046592 -0.034455 -0.089433 371 H 31 S -0.073698 -0.011452 0.090606 -0.075558 0.065426 372 H 31 S 0.161230 0.075449 0.215084 0.010308 0.154889 373 H 31 X 0.025235 0.017442 0.030852 0.026000 0.008660 374 H 31 Y -0.038211 -0.018806 0.056828 -0.019835 0.028467 375 H 31 Z -0.065424 -0.035806 0.070294 -0.049819 0.031565 376 H 32 S -0.079287 -0.050952 0.019712 -0.074469 0.046655 377 H 32 S -0.170485 -0.050293 -0.056473 -0.049997 0.084247 378 H 32 X -0.041396 -0.033244 -0.025000 -0.011755 0.003254 379 H 32 Y -0.036930 -0.037373 0.008856 -0.018057 -0.023385 380 H 32 Z -0.094901 -0.027047 -0.061878 -0.022799 -0.012540 381 H 33 S 0.093894 0.025390 -0.083359 -0.090593 0.026847 382 H 33 S 0.153537 0.151694 -0.048627 -0.014734 -0.071912 383 H 33 X -0.032535 -0.040393 0.020405 -0.002936 0.038907 384 H 33 Y -0.023614 -0.009898 -0.025386 -0.018598 -0.029328 385 H 33 Z 0.119119 0.061738 -0.069618 0.071484 -0.114866 386 H 34 S -0.117166 -0.014178 0.062242 -0.045588 -0.144529 387 H 34 S -0.097950 -0.051940 0.010072 -0.085412 -0.061961 388 H 34 X 0.033169 -0.018615 -0.062244 0.009569 -0.051533 389 H 34 Y 0.046352 0.010537 -0.063696 -0.017319 -0.068555 390 H 34 Z 0.014922 -0.007882 -0.001127 0.026012 0.024972 391 F 35 S 0.002833 0.000745 -0.005759 -0.000456 -0.002239 392 F 35 S 0.005629 0.004558 -0.008943 0.000982 -0.008073 393 F 35 S 0.024573 -0.010018 0.064888 -0.004507 0.057096 394 F 35 X -0.046146 0.034979 -0.071324 0.022815 0.156411 395 F 35 Y 0.060976 -0.176016 0.199457 0.133916 -0.102376 396 F 35 Z -0.126699 0.082887 -0.081568 0.210776 0.144899 397 F 35 X 0.017271 -0.013021 0.147430 -0.022548 -0.231100 398 F 35 Y -0.073268 0.187837 -0.269389 -0.188422 0.177096 399 F 35 Z 0.189578 -0.128724 0.146390 -0.331768 -0.198952 400 F 35 XX 0.000841 0.002103 -0.012673 0.006499 0.013568 401 F 35 YY -0.002295 -0.000125 0.002635 0.003699 -0.002848 402 F 35 ZZ 0.001455 -0.001978 0.010038 -0.010198 -0.010719 403 F 35 XY 0.003536 -0.014409 0.014784 0.011486 -0.010071 404 F 35 XZ -0.006578 0.003492 -0.010112 0.016831 0.000935 405 F 35 YZ -0.001824 -0.003155 -0.003558 -0.001276 0.011001 406 F 36 S -0.007047 0.007049 -0.008842 0.007292 0.032768 407 F 36 S -0.023270 0.017424 -0.024101 0.016336 0.084504 408 F 36 S -0.037473 -0.001176 -0.010536 0.009003 -0.009887 409 F 36 X 0.056762 0.002837 0.033011 -0.003740 -0.026149 410 F 36 Y -0.024463 0.129035 -0.150701 -0.094644 -0.087286 411 F 36 Z 0.096632 -0.014361 0.084668 -0.094834 -0.040877 412 F 36 X -0.056519 -0.005818 0.043027 -0.069976 -0.001452 413 F 36 Y 0.030446 -0.249755 0.243538 0.177983 0.142133 414 F 36 Z -0.116515 -0.017975 -0.087101 0.077234 0.034589 415 F 36 XX -0.005971 0.003466 -0.002590 0.006263 -0.003358 416 F 36 YY 0.003673 -0.006834 0.001639 -0.003019 -0.008513 417 F 36 ZZ 0.002298 0.003368 0.000951 -0.003244 0.011871 418 F 36 XY -0.000662 -0.004374 0.000734 -0.000782 0.004398 419 F 36 XZ -0.001574 0.000169 -0.016133 0.014984 0.007507 420 F 36 YZ 0.001256 0.014124 -0.015769 -0.015777 -0.008239 421 C 37 S 0.014088 0.159791 0.100170 0.027051 -0.070771 422 C 37 S 0.034422 0.333435 0.190468 0.051229 -0.148915 423 C 37 S -1.083676 -2.146720 -0.495126 -1.119544 0.844687 424 C 37 X 0.061612 -0.030552 -0.046782 -0.020858 0.018714 425 C 37 Y 0.000050 0.084243 -0.045711 -0.038873 -0.067336 426 C 37 Z 0.019299 -0.012749 -0.027367 0.032721 0.012582 427 C 37 X 0.278257 -0.054033 -0.078435 -0.370512 -0.070084 428 C 37 Y 1.168902 0.431717 -0.608678 -0.561440 -0.219338 429 C 37 Z -0.098385 0.265792 0.125451 -0.177937 0.100310 430 C 37 XX -0.014192 -0.023289 0.042255 0.008559 0.057067 431 C 37 YY 0.000606 -0.003271 -0.010607 -0.013222 0.007966 432 C 37 ZZ 0.013586 0.026560 -0.031648 0.004663 -0.065033 433 C 37 XY -0.174204 0.002951 0.130575 0.019852 0.022162 434 C 37 XZ 0.120743 -0.077872 -0.118524 0.078579 -0.066013 435 C 37 YZ 0.067206 0.014175 0.006128 0.002956 0.017346 436 S 38 S 0.035095 0.001980 -0.012924 -0.035531 -0.006756 437 S 38 S 0.256721 0.012987 -0.098412 -0.259145 -0.047144 438 S 38 S 0.347717 0.015655 -0.151290 -0.343795 -0.055936 439 S 38 S -0.706727 -0.183487 -0.138379 0.658661 0.410858 440 S 38 X 0.017769 -0.006906 0.003047 0.053903 0.007426 441 S 38 Y -0.005310 0.005683 0.033038 0.061464 0.002362 442 S 38 Z -0.004421 -0.005627 -0.000632 0.000380 0.003326 443 S 38 X 0.079772 0.000794 0.013166 0.226108 0.021534 444 S 38 Y -0.001848 0.018959 0.124533 0.231218 0.021368 445 S 38 Z -0.009776 -0.019417 -0.009943 0.017395 0.008588 446 S 38 X -0.148499 0.286216 -0.044720 0.381161 -0.232950 447 S 38 Y 0.219707 0.231197 0.097684 0.004619 -0.229409 448 S 38 Z 0.031051 0.060781 0.056079 0.057603 -0.001940 449 S 38 XX -0.048525 0.067599 0.062135 0.126456 -0.030078 450 S 38 YY -0.078925 -0.035292 -0.029607 -0.017514 0.003554 451 S 38 ZZ 0.127449 -0.032308 -0.032528 -0.108941 0.026524 452 S 38 XY -0.025024 -0.129722 0.037220 0.000169 0.128754 453 S 38 XZ 0.043656 0.065984 0.016823 0.064179 -0.038276 454 S 38 YZ -0.026184 0.030293 0.049947 -0.043996 -0.028459 455 S 38 XX -0.008633 0.009950 0.008354 0.011001 -0.006000 456 S 38 YY -0.014231 -0.002526 0.001099 0.007550 -0.000757 457 S 38 ZZ 0.022864 -0.007424 -0.009453 -0.018551 0.006757 458 S 38 XY -0.004748 -0.018866 0.005553 0.003412 0.015041 459 S 38 XZ 0.006883 0.010082 0.002296 0.010078 -0.006548 460 S 38 YZ -0.005034 0.004339 0.009120 -0.007683 -0.004338 461 H 39 S 0.074225 0.353431 0.067485 0.174161 -0.145196 462 H 39 S 0.100932 0.185528 -0.013709 0.131421 -0.071859 463 H 39 X -0.025023 0.030581 0.014705 0.040872 -0.012125 464 H 39 Y -0.000734 0.050598 0.063419 0.052620 0.007828 465 H 39 Z 0.032914 -0.041694 -0.051302 -0.002765 -0.002033 256 257 258 259 260 1.5253 1.5389 1.5439 1.5494 1.5553 A A A A A 1 C 1 S -0.034763 0.168538 0.298221 0.097860 -0.003881 2 C 1 S -0.068541 0.314010 0.613068 0.227852 0.007671 3 C 1 S 0.156500 -3.094972 -3.058683 -0.139853 0.573694 4 C 1 X -0.029960 0.107162 0.047502 -0.070940 -0.086076 5 C 1 Y -0.002203 0.015225 0.232736 0.115599 0.027293 6 C 1 Z 0.032354 -0.018041 0.042263 0.007835 0.014980 7 C 1 X 1.108954 -0.120568 1.515926 1.091270 1.507758 8 C 1 Y -0.213759 -0.318246 -4.461656 -1.505502 -0.714063 9 C 1 Z -0.362945 0.143277 -0.484485 -0.035884 -0.118291 10 C 1 XX -0.000140 -0.026490 -0.118699 -0.035513 -0.015166 11 C 1 YY -0.004927 0.063008 0.198642 0.089725 0.010215 12 C 1 ZZ 0.005066 -0.036518 -0.079943 -0.054212 0.004951 13 C 1 XY 0.031427 0.025560 0.093821 0.025288 0.012236 14 C 1 XZ 0.127844 -0.022450 0.117308 -0.062250 0.010619 15 C 1 YZ 0.251494 -0.129949 0.142243 -0.162243 0.000147 16 C 2 S 0.006275 -0.205607 -0.383524 -0.127169 0.010018 17 C 2 S 0.026819 -0.391701 -0.750180 -0.249815 0.022566 18 C 2 S 1.296032 3.319239 6.563438 2.294272 -0.175156 19 C 2 X 0.051113 -0.056160 -0.091024 -0.061975 0.055616 20 C 2 Y 0.008776 -0.011405 0.029628 -0.019631 -0.024555 21 C 2 Z -0.021524 -0.002030 -0.017337 -0.009805 0.019488 22 C 2 X 0.306014 1.434489 2.006671 -0.118318 0.196809 23 C 2 Y 0.037584 1.684000 3.660233 0.908803 -0.645449 24 C 2 Z 0.410952 -0.121392 0.313308 -0.171360 -0.122535 25 C 2 XX 0.032159 0.024077 -0.063526 -0.016950 0.025122 26 C 2 YY -0.056626 0.029659 0.108524 -0.003993 -0.102048 27 C 2 ZZ 0.024467 -0.053737 -0.044998 0.020943 0.076926 28 C 2 XY -0.021119 0.093791 0.100643 -0.005247 -0.027079 29 C 2 XZ 0.066918 -0.064271 0.004297 -0.041886 -0.009767 30 C 2 YZ 0.222445 -0.081936 0.110682 -0.130811 -0.043550 31 C 3 S -0.061860 0.137036 0.183039 0.106541 0.058164 32 C 3 S -0.123989 0.282589 0.331898 0.231320 0.128940 33 C 3 S 1.045107 -0.449497 -5.398987 -2.236817 -0.480043 34 C 3 X 0.024690 0.145365 0.041356 -0.213994 -0.081156 35 C 3 Y -0.039397 0.046816 0.023275 -0.024387 0.081117 36 C 3 Z -0.027963 0.063806 0.019837 -0.022724 -0.047821 37 C 3 X 0.044490 -3.114013 -0.457217 2.368548 2.152299 38 C 3 Y 1.200477 1.957689 2.528821 1.083113 -1.655452 39 C 3 Z -0.722592 -0.018842 -0.094385 0.417087 -0.062181 40 C 3 XX -0.011474 0.149931 0.004844 -0.017266 0.010562 41 C 3 YY 0.001605 -0.068982 -0.060417 -0.011162 -0.029251 42 C 3 ZZ 0.009869 -0.080948 0.055573 0.028428 0.018689 43 C 3 XY 0.003150 0.025894 0.014165 -0.021821 0.071267 44 C 3 XZ 0.057263 0.024680 -0.002496 -0.020091 -0.011002 45 C 3 YZ -0.003220 -0.086079 0.053132 -0.041378 0.013912 46 C 4 S -0.085133 0.009206 0.089923 0.094512 0.033888 47 C 4 S -0.170177 0.002499 0.169402 0.176753 0.080126 48 C 4 S 0.136024 0.423676 -0.620696 -1.687709 -0.481889 49 C 4 X 0.024073 0.032588 -0.076036 0.105879 0.029517 50 C 4 Y 0.055364 0.121926 0.035186 -0.023007 -0.037062 51 C 4 Z -0.002958 -0.001792 0.003403 -0.015804 -0.066074 52 C 4 X 0.136448 -0.259652 -0.328688 -0.044460 -0.056999 53 C 4 Y 0.117342 -0.783092 -0.462214 0.336945 0.692263 54 C 4 Z 0.950824 0.016148 -0.206736 0.349902 1.187480 55 C 4 XX 0.023414 0.017521 -0.021585 -0.091004 0.046122 56 C 4 YY -0.082789 0.024250 0.005508 0.109337 -0.009057 57 C 4 ZZ 0.059375 -0.041771 0.016077 -0.018333 -0.037065 58 C 4 XY 0.018705 -0.000303 -0.025901 -0.057069 -0.004538 59 C 4 XZ -0.104101 0.136918 0.042961 -0.027317 -0.043088 60 C 4 YZ -0.063986 -0.059298 0.025524 0.055687 0.076362 61 S 5 S 0.001834 -0.050790 -0.105318 -0.001273 0.032799 62 S 5 S 0.010237 -0.364253 -0.757360 -0.006156 0.237459 63 S 5 S -0.001399 -0.456807 -0.971553 0.000456 0.304018 64 S 5 S -0.239649 1.240467 3.202186 0.537693 -0.469123 65 S 5 X -0.004575 0.012446 -0.017291 -0.035547 -0.037356 66 S 5 Y 0.007102 -0.051662 -0.069260 0.012411 0.031408 67 S 5 Z -0.002561 -0.005671 -0.006677 -0.000263 0.001256 68 S 5 X -0.030807 0.033029 -0.069353 -0.117439 -0.137388 69 S 5 Y 0.032852 -0.192897 -0.232247 0.078513 0.117485 70 S 5 Z -0.021620 -0.028875 -0.033662 0.005999 0.006635 71 S 5 X -0.010932 -0.488033 -1.273532 -0.211879 0.075965 72 S 5 Y 0.284020 -0.061170 -0.379646 0.073435 0.166021 73 S 5 Z -0.045604 -0.011864 0.172899 0.085769 -0.008843 74 S 5 XX 0.136003 0.024040 0.102441 -0.026593 0.122436 75 S 5 YY -0.130672 0.109955 0.046709 -0.011193 -0.198546 76 S 5 ZZ -0.005331 -0.133996 -0.149151 0.037786 0.076110 77 S 5 XY -0.020764 -0.001096 0.112358 -0.043211 0.027178 78 S 5 XZ 0.066329 0.043047 -0.017186 -0.047730 0.010928 79 S 5 YZ 0.032807 -0.050238 0.054625 -0.016592 0.010356 80 S 5 XX 0.018930 0.004471 0.009996 -0.010406 0.014173 81 S 5 YY -0.016370 0.011996 0.006256 0.001647 -0.026232 82 S 5 ZZ -0.002560 -0.016467 -0.016252 0.008759 0.012060 83 S 5 XY -0.001046 -0.005762 0.002786 -0.006501 0.007540 84 S 5 XZ 0.009505 0.007418 -0.001226 -0.006851 0.000954 85 S 5 YZ 0.007195 -0.009163 0.009250 -0.002454 0.003393 86 H 6 S -0.020433 0.095346 0.332652 -0.073633 0.033158 87 H 6 S 0.040533 0.584896 0.834087 0.106580 -0.160235 88 H 6 X -0.020716 -0.068589 -0.035318 -0.013622 -0.024318 89 H 6 Y 0.005656 -0.017156 -0.135104 -0.005015 0.012581 90 H 6 Z -0.036901 0.065974 -0.025181 0.030632 0.020815 91 C 7 S 0.056552 0.098198 -0.005019 0.058148 0.045816 92 C 7 S 0.117207 0.190073 -0.007621 0.139012 0.066715 93 C 7 S -0.212527 -1.825145 1.702796 0.193490 -0.005097 94 C 7 X -0.019886 0.044229 0.047714 -0.082664 -0.020032 95 C 7 Y -0.031436 -0.086409 -0.062822 0.126629 0.020096 96 C 7 Z -0.092597 0.026820 -0.051622 0.042529 -0.038410 97 C 7 X -0.469463 0.956357 -2.412062 -0.654613 1.502660 98 C 7 Y 0.231054 0.438897 -0.424539 -1.355247 -0.834131 99 C 7 Z 0.400793 -0.128980 0.494474 0.040468 -0.238027 100 C 7 XX 0.018498 0.062378 0.012243 -0.047263 0.108059 101 C 7 YY 0.010798 -0.042320 -0.035217 0.082516 -0.011874 102 C 7 ZZ -0.029296 -0.020058 0.022974 -0.035253 -0.096184 103 C 7 XY -0.061862 -0.025226 0.084150 0.043409 -0.144177 104 C 7 XZ -0.025082 -0.048340 -0.039803 -0.112177 0.102049 105 C 7 YZ -0.093016 -0.074873 0.045325 0.030725 0.006396 106 C 8 S 0.103900 0.053888 0.061893 0.133708 0.119669 107 C 8 S 0.198602 0.123794 0.116676 0.245257 0.210113 108 C 8 S -1.963927 -0.116501 -0.479705 -2.319772 -2.091805 109 C 8 X 0.009459 -0.049356 0.003650 0.093523 -0.130637 110 C 8 Y -0.008892 -0.062976 0.013437 0.068245 0.116978 111 C 8 Z 0.006067 0.003518 0.013306 0.005807 0.026606 112 C 8 X -0.379981 0.551526 -0.264178 -1.881290 1.607046 113 C 8 Y 1.377039 1.122073 -1.272594 -2.889258 0.236280 114 C 8 Z 0.043433 -0.039144 -0.187812 -0.388590 0.032988 115 C 8 XX 0.074552 0.063473 -0.002484 0.032119 0.023028 116 C 8 YY -0.046976 -0.007769 0.007032 0.016697 -0.016226 117 C 8 ZZ -0.027576 -0.055704 -0.004548 -0.048816 -0.006802 118 C 8 XY 0.034174 0.044213 -0.043109 -0.026568 0.018418 119 C 8 XZ -0.133484 -0.268255 -0.116476 -0.027969 -0.211732 120 C 8 YZ -0.030896 -0.014117 0.008080 0.026480 -0.017158 121 C 9 S 0.022079 0.084542 0.080931 -0.155286 -0.067220 122 C 9 S 0.050143 0.160155 0.180795 -0.284936 -0.170009 123 C 9 S 0.097264 -0.764538 0.683751 1.756861 -1.506482 124 C 9 X -0.099482 0.172570 0.077359 0.152369 -0.063962 125 C 9 Y 0.043435 -0.006014 -0.040265 0.016241 0.065600 126 C 9 Z 0.017468 0.065714 0.036513 -0.004579 -0.077143 127 C 9 X 0.279528 -0.833498 -0.392089 0.142645 0.722270 128 C 9 Y -0.373994 -0.550309 0.831724 0.244935 -1.966890 129 C 9 Z -0.217558 -0.413579 0.673999 -0.337925 -0.724677 130 C 9 XX 0.026230 -0.033678 -0.006241 -0.039234 0.120552 131 C 9 YY -0.001655 0.067054 -0.013648 0.028830 -0.144066 132 C 9 ZZ -0.024575 -0.033375 0.019889 0.010405 0.023514 133 C 9 XY -0.074441 0.002411 -0.031932 -0.036814 0.052116 134 C 9 XZ -0.056630 -0.090822 -0.014750 0.053475 -0.110886 135 C 9 YZ -0.018984 -0.001333 -0.014505 -0.042747 -0.054173 136 C 10 S -0.091041 -0.111830 0.044441 -0.184233 -0.002000 137 C 10 S -0.207497 -0.225844 0.095529 -0.389172 0.032183 138 C 10 S 0.822801 1.653713 -0.372246 1.203465 0.892313 139 C 10 X 0.011380 -0.009266 0.053944 0.005007 -0.019680 140 C 10 Y -0.018951 0.027931 0.029704 -0.122877 0.095545 141 C 10 Z 0.026005 -0.040773 -0.009358 0.047214 0.006561 142 C 10 X 0.955046 0.743329 -1.667090 -1.587699 -0.626194 143 C 10 Y -1.335290 0.784241 -2.983653 -0.163341 0.833376 144 C 10 Z -0.491600 0.005091 0.035212 0.229033 0.087060 145 C 10 XX -0.030288 -0.035833 -0.056739 0.030063 -0.015680 146 C 10 YY 0.027932 0.041628 0.044025 -0.015054 0.022056 147 C 10 ZZ 0.002356 -0.005794 0.012713 -0.015010 -0.006376 148 C 10 XY -0.068020 0.087374 -0.001790 -0.068934 0.025741 149 C 10 XZ 0.045531 -0.014749 -0.001909 0.021893 0.030801 150 C 10 YZ 0.057583 -0.058775 0.103832 -0.001011 -0.007831 151 C 11 S 0.099774 0.067565 0.024482 -0.080557 -0.018376 152 C 11 S 0.223384 0.140209 0.030853 -0.155108 -0.019122 153 C 11 S -1.279771 -2.230510 -1.544253 1.989974 2.222687 154 C 11 X -0.021309 -0.007830 0.029180 0.045431 0.056328 155 C 11 Y -0.021467 0.052870 0.053858 0.094305 -0.040443 156 C 11 Z 0.009667 -0.036978 0.019828 -0.019977 -0.120386 157 C 11 X -1.694582 -2.253549 0.838233 0.390678 1.313745 158 C 11 Y -1.469783 0.553149 -2.578310 -1.982849 0.160093 159 C 11 Z 0.493858 -0.131345 0.079628 -0.110071 0.353320 160 C 11 XX 0.000632 -0.036597 0.102794 0.066956 -0.045535 161 C 11 YY 0.039588 0.069042 -0.061756 -0.011116 0.002703 162 C 11 ZZ -0.040220 -0.032446 -0.041038 -0.055840 0.042833 163 C 11 XY 0.041444 -0.055229 -0.040534 -0.024035 -0.090802 164 C 11 XZ 0.162889 -0.126039 0.102488 -0.057129 0.062850 165 C 11 YZ -0.080135 0.003373 0.015016 -0.051547 -0.018345 166 C 12 S -0.071611 0.147666 -0.089466 0.072624 0.207488 167 C 12 S -0.104354 0.307017 -0.186787 0.145850 0.388711 168 C 12 S 0.913300 -0.580715 -0.089230 -1.202411 -1.863125 169 C 12 X 0.048012 -0.013435 0.028542 -0.086193 -0.024091 170 C 12 Y -0.100716 -0.002319 0.079143 -0.082160 0.071582 171 C 12 Z -0.058347 0.079399 -0.080865 0.042200 0.043181 172 C 12 X 0.362683 -0.065589 0.186882 -0.787087 0.010713 173 C 12 Y -0.016125 0.007063 0.372751 -0.086388 0.552393 174 C 12 Z -0.027122 -0.123222 0.177956 -0.086812 0.202055 175 C 12 XX 0.179810 -0.120650 0.024802 0.052313 -0.197161 176 C 12 YY -0.257101 -0.098489 0.033648 -0.033604 0.144990 177 C 12 ZZ 0.077291 0.219139 -0.058451 -0.018709 0.052172 178 C 12 XY 0.078992 0.067736 0.041149 0.058718 0.115639 179 C 12 XZ 0.118035 0.064574 0.067204 -0.170412 -0.085870 180 C 12 YZ -0.238332 -0.187500 0.087290 -0.069312 -0.016363 181 C 13 S -0.035252 -0.026453 -0.003191 0.238560 -0.183571 182 C 13 S -0.066053 -0.055482 -0.009146 0.467786 -0.362346 183 C 13 S 0.349869 0.306804 0.155361 -1.343740 1.584926 184 C 13 X 0.005221 0.086229 0.009210 0.039336 0.049305 185 C 13 Y -0.044946 0.017246 -0.005922 0.059863 0.073909 186 C 13 Z -0.005909 0.000737 -0.012801 -0.056777 -0.010111 187 C 13 X 0.137175 -0.071489 0.032101 -0.283172 0.214439 188 C 13 Y -0.076733 0.072390 -0.114821 0.297239 0.130935 189 C 13 Z 0.109682 0.031014 0.060512 -0.132615 0.252615 190 C 13 XX 0.043772 -0.052929 -0.063067 0.009535 0.020768 191 C 13 YY -0.041399 0.067394 0.009507 -0.045346 0.017550 192 C 13 ZZ -0.002374 -0.014465 0.053559 0.035810 -0.038319 193 C 13 XY -0.321831 -0.065189 0.025820 -0.056890 0.075903 194 C 13 XZ -0.057449 0.162463 -0.092639 -0.009992 0.268988 195 C 13 YZ -0.028530 -0.111997 0.203685 -0.091682 0.094580 196 C 14 S 0.162294 0.102984 0.113856 -0.148472 -0.031107 197 C 14 S 0.272591 0.194034 0.229809 -0.320616 -0.047516 198 C 14 S -1.937963 -1.127148 -0.496398 0.128963 0.286607 199 C 14 X -0.063847 0.044810 -0.062902 -0.088346 -0.030044 200 C 14 Y -0.161063 -0.078907 0.098901 0.059461 0.044669 201 C 14 Z 0.019439 -0.043809 0.090256 -0.072587 0.032449 202 C 14 X -0.492394 -0.142627 -0.246440 -0.739940 0.634329 203 C 14 Y -0.409839 -0.218525 0.072278 0.234462 -0.201408 204 C 14 Z -0.096768 0.159111 -0.183165 0.042970 -0.115599 205 C 14 XX -0.148288 -0.087861 0.029886 0.075212 -0.023722 206 C 14 YY 0.247394 -0.012874 -0.041665 0.099925 -0.121127 207 C 14 ZZ -0.099105 0.100735 0.011780 -0.175136 0.144850 208 C 14 XY -0.065367 -0.162060 0.097748 -0.039856 -0.095863 209 C 14 XZ -0.143018 0.052894 0.014923 0.017077 0.048098 210 C 14 YZ -0.067966 0.018684 -0.017899 -0.083326 0.030438 211 F 15 S 0.010142 0.013662 -0.017193 0.012674 0.001901 212 F 15 S 0.025775 0.030278 -0.040651 0.032981 0.008127 213 F 15 S -0.048142 0.021464 0.008119 0.020367 0.082188 214 F 15 X -0.120437 0.094028 0.095688 -0.152945 0.043212 215 F 15 Y -0.043810 -0.132878 0.132746 -0.057857 -0.047463 216 F 15 Z 0.047815 -0.010111 0.048124 -0.028585 -0.037466 217 F 15 X 0.137105 -0.174244 -0.152143 0.272803 -0.084249 218 F 15 Y 0.145952 0.230372 -0.205179 0.114579 0.013950 219 F 15 Z -0.058442 0.078165 -0.126527 0.064702 0.034551 220 F 15 XX 0.001436 0.001098 0.006395 -0.004506 -0.003291 221 F 15 YY 0.005323 -0.006352 0.006859 -0.007852 -0.003725 222 F 15 ZZ -0.006759 0.005255 -0.013254 0.012358 0.007016 223 F 15 XY -0.009564 -0.005772 0.000174 -0.007250 0.007821 224 F 15 XZ 0.001897 -0.017234 -0.002594 0.013643 -0.008020 225 F 15 YZ 0.019866 0.017724 -0.009709 0.008225 0.003816 226 F 16 S -0.000538 0.016685 0.000101 -0.001816 0.013544 227 F 16 S -0.001347 0.039117 0.004294 0.003830 0.035472 228 F 16 S -0.026633 -0.025790 -0.002024 0.079006 0.021171 229 F 16 X 0.073054 -0.032515 -0.056478 -0.034783 0.224990 230 F 16 Y -0.007179 -0.031307 0.005685 0.000728 0.062423 231 F 16 Z -0.157875 -0.122357 0.042155 -0.059450 0.090311 232 F 16 X -0.068386 -0.002169 0.079636 0.088048 -0.370007 233 F 16 Y 0.067327 0.113424 -0.063321 -0.037132 -0.121567 234 F 16 Z 0.280228 0.224277 -0.100170 0.138337 -0.146479 235 F 16 XX 0.001062 0.000945 -0.005742 0.012100 0.001856 236 F 16 YY 0.019928 0.016559 -0.003310 -0.003068 -0.005792 237 F 16 ZZ -0.020990 -0.017503 0.009052 -0.009032 0.003936 238 F 16 XY 0.002454 -0.010168 0.000885 -0.004859 -0.021547 239 F 16 XZ -0.009600 -0.000741 0.003738 -0.007965 0.017287 240 F 16 YZ 0.016898 0.009309 -0.002524 0.000209 -0.004821 241 F 17 S -0.002884 0.023075 -0.015087 -0.005386 0.004628 242 F 17 S -0.009568 0.064489 -0.041427 -0.006736 0.006331 243 F 17 S 0.031630 0.028775 0.025550 0.039696 -0.076972 244 F 17 X 0.072335 0.013945 -0.054518 -0.180473 0.009564 245 F 17 Y 0.105393 -0.095428 0.110997 -0.122180 -0.006804 246 F 17 Z 0.130204 0.009409 0.019940 0.069466 -0.028881 247 F 17 X -0.129767 -0.062595 0.083524 0.248313 -0.078062 248 F 17 Y -0.059229 0.125082 -0.137415 0.223744 -0.029206 249 F 17 Z -0.212508 -0.009959 0.021334 -0.082837 0.061707 250 F 17 XX -0.001814 -0.005657 0.005342 0.009222 -0.002539 251 F 17 YY -0.014211 0.005927 0.002413 -0.018453 0.011981 252 F 17 ZZ 0.016025 -0.000271 -0.007754 0.009231 -0.009442 253 F 17 XY 0.010721 0.008153 -0.004678 -0.001189 0.002042 254 F 17 XZ 0.012910 0.009767 -0.006997 -0.005425 0.006343 255 F 17 YZ 0.012664 0.003608 0.002432 -0.003966 -0.007791 256 F 18 S -0.002953 -0.012902 0.009064 -0.020293 0.001178 257 F 18 S -0.004815 -0.032522 0.023109 -0.048715 0.001705 258 F 18 S 0.089161 0.045035 0.042515 0.001999 0.016776 259 F 18 X 0.044803 0.186575 -0.163893 -0.041385 0.001483 260 F 18 Y -0.151566 0.109621 0.023502 -0.071521 0.011683 261 F 18 Z -0.070540 -0.010198 -0.072541 0.002258 0.060018 262 F 18 X -0.045943 -0.281384 0.210036 0.104818 -0.099108 263 F 18 Y 0.243001 -0.142916 -0.025262 0.139758 -0.037746 264 F 18 Z 0.088914 -0.035899 0.119616 -0.050543 -0.065855 265 F 18 XX -0.002603 0.007255 -0.002386 0.011344 0.007052 266 F 18 YY -0.009574 0.002317 -0.008132 -0.006590 0.003718 267 F 18 ZZ 0.012177 -0.009573 0.010518 -0.004754 -0.010771 268 F 18 XY -0.005887 0.004207 -0.000130 -0.003069 0.001106 269 F 18 XZ -0.003110 -0.013829 0.001185 0.010483 -0.009403 270 F 18 YZ 0.005934 -0.005442 -0.007561 0.014528 -0.007647 271 C 19 S -0.067165 0.094182 -0.182204 -0.555397 -0.072684 272 C 19 S -0.138192 0.178733 -0.343247 -1.061983 -0.142852 273 C 19 S 0.099009 -1.170874 1.767026 5.236091 0.127547 274 C 19 X 0.010922 0.014696 -0.028333 -0.015707 0.006645 275 C 19 Y 0.035439 0.035191 -0.033561 -0.063155 0.028137 276 C 19 Z 0.016256 0.018595 0.001185 -0.006165 0.014097 277 C 19 X 0.309785 0.254617 -0.374653 -0.990600 -0.509705 278 C 19 Y -0.182248 0.243498 -0.409873 -1.371234 0.182406 279 C 19 Z 0.085057 0.219464 -0.023691 -0.208887 0.106681 280 C 19 XX -0.021754 0.003594 0.016011 0.063238 0.076675 281 C 19 YY 0.094249 0.000311 -0.015085 0.012749 -0.140740 282 C 19 ZZ -0.072496 -0.003905 -0.000926 -0.075987 0.064065 283 C 19 XY -0.032484 -0.042293 0.048710 0.165481 0.133390 284 C 19 XZ -0.049976 -0.082474 -0.016800 0.030974 -0.028854 285 C 19 YZ 0.026349 0.036217 0.016823 0.038572 0.024166 286 H 20 S -0.104754 0.040801 -0.124579 -0.379716 0.068673 287 H 20 S -0.155595 0.032446 -0.041604 -0.169015 0.112614 288 H 20 X -0.012211 -0.011014 0.014133 0.042368 0.039226 289 H 20 Y -0.061470 -0.024918 0.008391 0.094253 0.147786 290 H 20 Z -0.002498 0.027156 0.009184 0.020890 0.040095 291 H 21 S 0.037180 0.165391 -0.114600 -0.377149 -0.020640 292 H 21 S 0.018074 0.067387 -0.068490 -0.169169 -0.060356 293 H 21 X 0.030612 0.051834 0.029070 0.024721 0.017966 294 H 21 Y 0.063639 0.064540 0.029976 0.041672 0.016842 295 H 21 Z 0.036147 0.038640 0.002466 -0.035089 -0.014649 296 C 22 S 0.088638 -0.227848 0.207814 0.113221 0.167910 297 C 22 S 0.169539 -0.443074 0.380313 0.207938 0.315623 298 C 22 S -0.898069 1.572313 -3.268739 -1.634755 -1.745325 299 C 22 X 0.000068 0.025701 0.124642 0.052033 0.013939 300 C 22 Y -0.016455 -0.002295 -0.100747 -0.056915 -0.042301 301 C 22 Z 0.017010 -0.006837 -0.007746 -0.023987 -0.009113 302 C 22 X -0.142502 -0.123876 0.579618 0.069570 -0.057193 303 C 22 Y -0.443934 0.542913 -0.773282 -0.562332 -0.737220 304 C 22 Z 0.192316 -0.097502 0.049555 -0.118839 -0.023701 305 C 22 XX 0.121770 -0.081386 -0.045209 0.075809 0.130112 306 C 22 YY -0.077428 0.100652 -0.001376 -0.062232 -0.094173 307 C 22 ZZ -0.044342 -0.019266 0.046584 -0.013578 -0.035939 308 C 22 XY -0.010212 -0.018675 0.047952 0.012923 -0.007279 309 C 22 XZ 0.051946 -0.028269 0.045649 -0.047193 -0.006268 310 C 22 YZ 0.085624 -0.039070 0.025325 -0.037914 -0.002276 311 H 23 S -0.014474 -0.101188 0.236140 0.055951 0.026671 312 H 23 S -0.059911 -0.070818 0.128588 -0.012310 -0.054527 313 H 23 X -0.054768 0.059020 0.101959 -0.030931 -0.086988 314 H 23 Y 0.069857 -0.084217 -0.115835 0.031003 0.104531 315 H 23 Z 0.029956 -0.025951 0.005343 -0.010645 0.016924 316 H 24 S -0.004859 -0.108557 0.098813 0.156859 0.146791 317 H 24 S 0.048525 -0.058630 0.034993 0.057596 0.075712 318 H 24 X -0.005326 0.012363 -0.068366 0.015809 0.009829 319 H 24 Y 0.098285 -0.080298 0.103804 -0.047612 0.005904 320 H 24 Z 0.000193 0.005043 0.042282 -0.026095 -0.025328 321 H 25 S 0.182446 -0.211520 0.194790 0.040610 0.149161 322 H 25 S 0.086668 -0.104266 0.076156 0.068926 0.093708 323 H 25 X 0.050549 -0.027334 -0.039819 -0.028131 0.015526 324 H 25 Y -0.106930 0.069121 0.036564 0.071907 -0.001905 325 H 25 Z 0.036316 -0.037254 -0.011353 0.003444 0.031202 326 C 26 S -0.044538 -0.030930 -0.053031 0.106900 -0.059332 327 C 26 S -0.083298 -0.062195 -0.095868 0.197953 -0.134803 328 C 26 S 0.120035 0.005106 0.734311 -1.036383 -0.235417 329 C 26 X -0.021772 0.035334 0.037027 0.026483 -0.002163 330 C 26 Y -0.056249 0.018311 -0.031380 0.054832 0.018357 331 C 26 Z -0.009715 0.011539 0.044189 -0.051819 -0.101333 332 C 26 X -0.231746 0.066915 -0.084115 0.000182 -0.327869 333 C 26 Y 0.230688 0.014620 0.103217 -0.339642 0.055710 334 C 26 Z -0.011069 -0.150508 0.230050 -0.258256 -0.206736 335 C 26 XX -0.016723 -0.000890 -0.013072 0.061700 0.000096 336 C 26 YY 0.036017 0.018120 -0.032429 -0.030229 0.057631 337 C 26 ZZ -0.019295 -0.017230 0.045501 -0.031471 -0.057727 338 C 26 XY 0.016400 0.024201 0.006247 0.008622 0.075887 339 C 26 XZ 0.008632 -0.007140 -0.046865 0.000562 -0.101654 340 C 26 YZ 0.029933 -0.012949 0.003321 -0.065867 0.021251 341 H 27 S -0.113739 -0.023132 -0.028524 0.063087 -0.188341 342 H 27 S 0.018071 -0.016795 -0.050862 -0.013132 0.015648 343 H 27 X 0.014998 -0.074518 -0.086463 -0.032432 -0.000105 344 H 27 Y -0.000620 0.063664 0.075544 0.045564 -0.032923 345 H 27 Z 0.043687 0.033886 0.005996 0.033695 0.141126 346 H 28 S -0.070096 -0.041924 -0.029794 0.122480 0.008528 347 H 28 S -0.128918 -0.049123 -0.085797 0.199159 -0.145803 348 H 28 X -0.013849 0.035902 0.091058 0.065594 0.034826 349 H 28 Y 0.025755 0.018589 0.019388 -0.034043 0.011194 350 H 28 Z 0.031730 0.029875 -0.049571 -0.060000 0.057310 351 H 29 S 0.073898 0.002121 -0.009673 0.051021 0.011436 352 H 29 S 0.085626 -0.104934 -0.006571 0.011186 0.089366 353 H 29 X -0.009900 -0.054452 -0.056896 0.005899 -0.042193 354 H 29 Y 0.004354 -0.074114 -0.107190 -0.036249 -0.043763 355 H 29 Z -0.068366 -0.026475 -0.023245 0.085132 -0.077157 356 C 30 S 0.092432 -0.112089 0.050216 0.015696 0.125891 357 C 30 S 0.170263 -0.214954 0.102442 0.031444 0.244508 358 C 30 S -1.063255 0.627727 0.063385 -0.039558 -1.241732 359 C 30 X 0.024889 -0.002395 0.007212 0.041318 -0.015978 360 C 30 Y 0.078721 0.012885 0.008873 -0.023663 0.003958 361 C 30 Z 0.027324 0.023003 -0.076814 -0.029515 0.001327 362 C 30 X -0.051632 -0.168338 -0.127662 0.161327 0.124445 363 C 30 Y -0.098720 0.255885 0.004333 0.067436 -0.127194 364 C 30 Z 0.379067 -0.076282 -0.088154 0.021678 0.433318 365 C 30 XX 0.026916 0.055017 -0.004286 -0.028488 -0.018847 366 C 30 YY 0.017660 -0.058142 -0.023253 -0.001051 0.057477 367 C 30 ZZ -0.044576 0.003125 0.027539 0.029540 -0.038630 368 C 30 XY 0.019963 -0.059555 -0.058313 0.017921 0.009936 369 C 30 XZ 0.013729 0.020861 -0.027713 -0.016092 -0.015892 370 C 30 YZ 0.039763 -0.034626 0.024145 -0.041233 0.016836 371 H 31 S 0.101532 -0.015381 0.089280 -0.038266 0.013226 372 H 31 S -0.058205 0.019116 -0.038064 0.039173 -0.018050 373 H 31 X 0.028696 0.077940 -0.006098 -0.055577 -0.025970 374 H 31 Y -0.010690 0.033774 0.001029 0.002571 -0.049412 375 H 31 Z 0.012461 0.056041 0.027576 -0.004469 -0.099656 376 H 32 S 0.082296 -0.258460 -0.071128 0.095026 0.171680 377 H 32 S 0.036634 -0.088355 0.013466 -0.015773 0.040868 378 H 32 X -0.000885 -0.120597 -0.038219 -0.003841 0.028529 379 H 32 Y -0.017317 -0.112642 -0.059192 0.000417 0.008266 380 H 32 Z 0.009942 -0.146558 0.013907 0.047217 0.044850 381 H 33 S 0.058007 -0.024210 0.146938 -0.025015 0.073512 382 H 33 S 0.092111 -0.131302 -0.006792 -0.097581 0.068256 383 H 33 X -0.030480 -0.086954 -0.064822 0.019263 0.005816 384 H 33 Y 0.011867 0.112111 0.071189 -0.028511 -0.049075 385 H 33 Z -0.047150 0.018332 0.052572 -0.030914 0.029747 386 H 34 S -0.059261 -0.022218 -0.175548 -0.388486 -0.161715 387 H 34 S 0.012339 0.024064 -0.060386 -0.166692 -0.083580 388 H 34 X -0.034599 -0.063485 0.011102 0.028284 -0.042580 389 H 34 Y -0.020247 -0.092668 -0.017050 0.038925 -0.109554 390 H 34 Z -0.004220 0.006582 0.017979 0.038993 0.044424 391 F 35 S 0.001793 -0.009606 0.005419 -0.005456 -0.004238 392 F 35 S 0.002924 -0.017240 0.014631 -0.010334 -0.010306 393 F 35 S -0.024116 0.026918 -0.018668 0.080961 -0.066655 394 F 35 X 0.017597 -0.026973 -0.046875 0.063789 -0.056782 395 F 35 Y 0.189966 -0.043326 0.035898 0.018779 0.065781 396 F 35 Z 0.096325 -0.069209 0.009775 0.065841 -0.173655 397 F 35 X -0.039100 0.138628 0.049795 -0.043155 0.136753 398 F 35 Y -0.307497 0.038708 -0.011005 -0.067397 -0.080382 399 F 35 Z -0.133580 0.086977 -0.041394 -0.099438 0.263072 400 F 35 XX -0.002729 -0.010925 0.001240 0.005452 -0.020603 401 F 35 YY 0.005128 0.004225 0.000807 0.004105 0.001320 402 F 35 ZZ -0.002399 0.006700 -0.002047 -0.009557 0.019283 403 F 35 XY 0.023518 -0.001184 0.002897 0.003262 -0.003909 404 F 35 XZ 0.005218 -0.002256 0.005449 -0.000862 -0.011050 405 F 35 YZ -0.010331 -0.006590 0.008925 -0.008139 -0.000386 406 F 36 S 0.012733 -0.011267 0.000058 0.018164 -0.006245 407 F 36 S 0.032337 -0.030274 -0.001747 0.048115 -0.017555 408 F 36 S -0.031250 0.001964 -0.004352 0.038322 -0.055110 409 F 36 X -0.007570 -0.076114 0.084272 -0.042454 -0.051205 410 F 36 Y 0.084601 0.161946 -0.264056 0.126607 -0.088495 411 F 36 Z -0.046470 0.040546 0.025840 0.086878 -0.034692 412 F 36 X -0.013336 0.158135 -0.138336 0.083604 0.146335 413 F 36 Y -0.116063 -0.260901 0.418066 -0.221985 0.140167 414 F 36 Z 0.044836 -0.063119 -0.038907 -0.122157 0.034573 415 F 36 XX 0.003743 0.001937 -0.001356 -0.007374 0.001633 416 F 36 YY -0.002913 -0.003232 0.003024 -0.010940 0.006758 417 F 36 ZZ -0.000830 0.001295 -0.001668 0.018313 -0.008391 418 F 36 XY -0.002937 -0.000491 0.003991 -0.003519 0.000177 419 F 36 XZ 0.000918 -0.012961 0.008831 -0.003512 -0.019872 420 F 36 YZ 0.004180 0.014608 -0.021816 0.008792 -0.008078 421 C 37 S -0.115386 -0.106109 -0.024440 -0.104287 -0.111818 422 C 37 S -0.219192 -0.206967 -0.052243 -0.231077 -0.223815 423 C 37 S 2.072972 1.859159 -0.800027 -0.933567 1.337776 424 C 37 X 0.040147 -0.007119 0.041544 0.143328 0.013031 425 C 37 Y 0.062360 0.007171 0.039674 -0.009766 -0.018558 426 C 37 Z -0.009466 0.020753 -0.008541 0.041448 0.020750 427 C 37 X -1.017245 -0.542333 0.369606 1.037067 -1.967422 428 C 37 Y 1.005623 -0.438466 -0.428954 0.220494 0.326483 429 C 37 Z 0.260608 0.107350 0.006492 0.119853 -0.072326 430 C 37 XX -0.008978 -0.007250 -0.058792 0.012291 0.031943 431 C 37 YY -0.007892 -0.002266 0.006812 0.017846 -0.011027 432 C 37 ZZ 0.016870 0.009516 0.051980 -0.030137 -0.020916 433 C 37 XY -0.070842 0.033181 -0.003210 -0.051705 -0.037299 434 C 37 XZ -0.101978 -0.096443 -0.037808 -0.053293 0.043554 435 C 37 YZ -0.025597 0.017644 -0.018568 -0.012827 0.037499 436 S 38 S -0.006200 -0.019942 -0.016667 0.002617 -0.077552 437 S 38 S -0.044927 -0.141798 -0.120261 0.021131 -0.553658 438 S 38 S -0.059896 -0.173671 -0.153413 0.034939 -0.687184 439 S 38 S 0.037733 0.530773 0.349932 0.172347 2.459165 440 S 38 X 0.014401 -0.002250 0.012329 -0.001760 0.055763 441 S 38 Y 0.002997 -0.010384 0.013646 0.006419 0.021295 442 S 38 Z 0.002254 0.003440 0.000511 0.001011 0.012161 443 S 38 X 0.055935 -0.022351 0.053426 -0.001350 0.233485 444 S 38 Y 0.000646 -0.060536 0.050343 0.065922 0.077749 445 S 38 Z 0.004224 0.006573 -0.007888 0.005200 0.038112 446 S 38 X -0.044887 0.072042 0.244728 -0.296112 0.413140 447 S 38 Y -0.206223 -0.249381 -0.052604 -0.186960 -0.719256 448 S 38 Z -0.098353 -0.009670 -0.073565 0.007521 -0.071922 449 S 38 XX -0.033357 -0.039297 0.013758 -0.052541 0.130034 450 S 38 YY 0.033808 0.092193 0.026600 -0.013243 0.039735 451 S 38 ZZ -0.000451 -0.052897 -0.040357 0.065783 -0.169769 452 S 38 XY -0.134330 -0.000546 -0.031132 0.199597 0.084990 453 S 38 XZ -0.063622 -0.077394 -0.041763 0.028634 -0.084320 454 S 38 YZ 0.023943 -0.033944 0.066865 -0.007182 0.018791 455 S 38 XX -0.004736 -0.005794 0.001481 -0.006226 0.010430 456 S 38 YY 0.004259 0.010965 0.004221 -0.008128 0.008010 457 S 38 ZZ 0.000477 -0.005171 -0.005703 0.014354 -0.018440 458 S 38 XY -0.017310 0.000201 -0.003104 0.023837 0.010377 459 S 38 XZ -0.010532 -0.012667 -0.007874 0.004092 -0.015579 460 S 38 YZ 0.003177 -0.004781 0.009438 -0.002529 0.003769 461 H 39 S 0.139826 -0.096596 -0.045247 -0.240121 0.345105 462 H 39 S 0.254401 0.045828 -0.028804 -0.225179 0.514475 463 H 39 X 0.032875 0.013695 -0.012425 -0.066088 0.085276 464 H 39 Y -0.028161 -0.052505 -0.082147 -0.028344 0.021961 465 H 39 Z -0.015294 -0.020769 0.015113 -0.075744 0.135313 261 262 263 264 265 1.5673 1.5701 1.5886 1.5959 1.5989 A A A A A 1 C 1 S -0.064232 -0.044226 0.106939 0.075061 -0.038739 2 C 1 S -0.122928 -0.079437 0.215937 0.134911 -0.078824 3 C 1 S 0.664492 0.369156 -1.480470 -1.688178 0.452172 4 C 1 X -0.040550 -0.105371 -0.011088 -0.018065 0.029436 5 C 1 Y -0.043831 -0.051270 0.042828 -0.058675 0.017731 6 C 1 Z 0.026405 -0.010224 0.022132 0.008652 0.006709 7 C 1 X -0.201531 1.371857 1.235476 -0.174458 0.243665 8 C 1 Y 0.446428 0.588523 -1.059794 1.389985 -0.636253 9 C 1 Z 0.022333 -0.049838 -0.343885 -0.056656 -0.147895 10 C 1 XX -0.028145 -0.041992 -0.070909 0.033899 -0.001432 11 C 1 YY 0.035981 0.048128 0.107487 -0.037503 -0.029067 12 C 1 ZZ -0.007836 -0.006136 -0.036578 0.003604 0.030500 13 C 1 XY -0.067929 -0.017291 0.036889 0.034734 0.030041 14 C 1 XZ -0.031146 -0.072407 0.015209 0.025684 0.073916 15 C 1 YZ -0.014160 -0.175028 0.225469 0.107879 0.314600 16 C 2 S 0.091587 0.035189 -0.135767 -0.055781 0.012545 17 C 2 S 0.190885 0.071497 -0.244826 -0.122691 0.028019 18 C 2 S -0.776573 0.048116 3.330429 0.263012 -0.032795 19 C 2 X -0.055735 0.059615 0.009378 -0.012206 0.004529 20 C 2 Y 0.116775 -0.056269 0.023903 -0.015745 0.017444 21 C 2 Z 0.007306 -0.045810 -0.016043 -0.025043 0.012485 22 C 2 X -0.048705 0.170745 0.955909 0.810659 0.188747 23 C 2 Y -0.520220 -0.940933 1.144227 -0.315560 0.168232 24 C 2 Z -0.163167 -0.046010 0.033234 0.216702 -0.054688 25 C 2 XX -0.031987 0.030776 -0.014376 -0.011707 0.030178 26 C 2 YY 0.088451 -0.065692 0.054502 -0.024042 0.006206 27 C 2 ZZ -0.056464 0.034916 -0.040126 0.035749 -0.036384 28 C 2 XY 0.081698 0.001485 0.062441 0.014171 -0.016255 29 C 2 XZ -0.048278 -0.010898 0.089109 0.032216 0.100809 30 C 2 YZ -0.064077 -0.057976 -0.075729 0.113389 -0.071756 31 C 3 S -0.065798 -0.128370 0.113222 -0.076236 0.016959 32 C 3 S -0.140805 -0.233827 0.226376 -0.132284 0.020918 33 C 3 S -0.225236 3.017283 -1.618337 2.013271 -1.221773 34 C 3 X 0.075411 0.012770 0.059781 0.002635 0.012034 35 C 3 Y 0.016186 0.043053 -0.001695 0.010348 0.047668 36 C 3 Z -0.072620 -0.031279 0.034363 0.018246 0.014033 37 C 3 X -1.766776 0.874425 -1.061031 -2.761522 0.262680 38 C 3 Y -0.584314 0.124254 1.290025 -0.088665 -0.432932 39 C 3 Z 0.166564 -0.146063 0.039036 -0.510131 0.385895 40 C 3 XX 0.042082 0.021169 0.046654 -0.034297 0.000412 41 C 3 YY -0.089841 0.026874 -0.092485 0.014225 0.026460 42 C 3 ZZ 0.047759 -0.048043 0.045831 0.020073 -0.026873 43 C 3 XY -0.115408 0.017255 -0.007340 0.031323 0.049001 44 C 3 XZ -0.003639 -0.072237 -0.010853 0.017758 0.048009 45 C 3 YZ 0.017829 -0.161774 0.044424 -0.001117 0.196656 46 C 4 S 0.093434 0.001084 0.024548 0.076668 -0.046064 47 C 4 S 0.195471 0.007535 0.048541 0.149175 -0.089620 48 C 4 S -0.284836 -0.544063 -0.203900 0.665604 0.101816 49 C 4 X -0.124336 -0.064418 -0.216327 0.009137 0.161118 50 C 4 Y 0.040643 0.011270 0.096241 0.026144 0.054516 51 C 4 Z 0.004084 -0.047110 0.005896 -0.029166 0.000627 52 C 4 X -0.087148 1.226724 1.218343 -0.712950 -0.310826 53 C 4 Y -2.047818 0.597802 -1.016313 -0.707096 -0.452450 54 C 4 Z -0.305762 1.499029 0.420034 -0.529261 -1.017826 55 C 4 XX -0.054895 0.054224 -0.056926 0.045912 0.074094 56 C 4 YY 0.098121 -0.106609 -0.030269 -0.057859 -0.080390 57 C 4 ZZ -0.043226 0.052386 0.087195 0.011947 0.006296 58 C 4 XY -0.023258 -0.026092 0.080204 -0.020357 0.011503 59 C 4 XZ -0.006168 0.050671 0.005139 0.063562 -0.010360 60 C 4 YZ 0.076327 -0.100853 -0.010973 -0.060827 0.074429 61 S 5 S 0.022205 0.034050 -0.026152 -0.010548 0.018208 62 S 5 S 0.157422 0.242304 -0.193842 -0.076385 0.132421 63 S 5 S 0.190204 0.296108 -0.273416 -0.097058 0.174898 64 S 5 S -0.922313 -1.216153 0.088393 -0.063720 -0.261652 65 S 5 X 0.026157 -0.008129 0.029197 0.020574 -0.008048 66 S 5 Y 0.003324 0.022956 -0.034698 -0.007821 0.009592 67 S 5 Z -0.002169 -0.015193 -0.020715 -0.000046 0.013763 68 S 5 X 0.111657 -0.044728 0.092975 0.071143 -0.021934 69 S 5 Y 0.004252 0.087906 -0.116861 -0.028898 0.039644 70 S 5 Z -0.004135 -0.066537 -0.090555 -0.007162 0.043548 71 S 5 X 0.375372 0.285390 -0.220680 0.012939 0.169295 72 S 5 Y -0.051446 0.327896 -0.083742 0.267615 -0.112469 73 S 5 Z -0.081767 -0.079447 -0.027606 0.041068 -0.070520 74 S 5 XX -0.109017 0.169884 0.127622 -0.024811 -0.056812 75 S 5 YY 0.084290 -0.206945 -0.099649 0.069976 0.018275 76 S 5 ZZ 0.024727 0.037061 -0.027972 -0.045165 0.038536 77 S 5 XY 0.039927 -0.068948 0.033192 -0.058650 0.080584 78 S 5 XZ 0.064906 0.055541 0.071443 0.023658 0.038795 79 S 5 YZ 0.051192 -0.179736 -0.008270 0.033183 0.077767 80 S 5 XX -0.013688 0.022518 0.018933 -0.000861 -0.006969 81 S 5 YY 0.011910 -0.026199 -0.014660 0.009031 0.002959 82 S 5 ZZ 0.001778 0.003680 -0.004273 -0.008169 0.004010 83 S 5 XY 0.005061 -0.005904 -0.001488 -0.006516 0.011147 84 S 5 XZ 0.009192 0.006728 0.009578 0.005263 0.007011 85 S 5 YZ 0.009784 -0.027351 0.001246 0.003803 0.011456 86 H 6 S -0.129445 -0.053596 -0.010046 0.133119 0.069090 87 H 6 S -0.113470 -0.207088 0.286620 -0.054811 0.086914 88 H 6 X 0.054130 0.036407 -0.036838 0.007955 0.011034 89 H 6 Y 0.011175 0.008421 -0.018214 -0.031292 -0.028557 90 H 6 Z 0.085474 -0.035589 0.111380 -0.054962 0.113737 91 C 7 S -0.183224 -0.055418 0.022990 -0.007283 -0.002818 92 C 7 S -0.356503 -0.099810 0.055381 -0.012329 0.001209 93 C 7 S 3.599617 0.698962 0.396566 0.649995 0.881914 94 C 7 X 0.052723 0.063513 -0.114250 0.032183 0.021479 95 C 7 Y 0.029175 0.084509 -0.023432 -0.020079 0.087919 96 C 7 Z -0.067141 0.032404 -0.033887 -0.044594 -0.002312 97 C 7 X -0.587418 -0.764080 0.654856 -0.309259 -1.929851 98 C 7 Y -0.993408 -0.678887 -0.815736 -1.113291 -0.199264 99 C 7 Z 0.238662 -0.168957 -0.257813 0.164137 -0.078042 100 C 7 XX 0.010462 0.143377 0.007519 0.009840 -0.012530 101 C 7 YY 0.008617 -0.057596 0.008496 -0.042120 0.099742 102 C 7 ZZ -0.019079 -0.085781 -0.016015 0.032280 -0.087212 103 C 7 XY 0.007643 0.072851 0.054733 0.016817 -0.030437 104 C 7 XZ 0.034064 0.096483 0.189535 -0.057125 -0.021479 105 C 7 YZ -0.071783 0.095041 0.143925 0.083674 0.087913 106 C 8 S -0.125579 0.052529 0.042934 -0.010643 -0.078828 107 C 8 S -0.262917 0.109930 0.114822 -0.019858 -0.177367 108 C 8 S 0.705604 -1.978030 0.116226 -0.174816 1.019646 109 C 8 X 0.046418 0.075135 -0.094328 0.088826 0.116044 110 C 8 Y 0.047629 -0.022329 -0.077475 -0.020286 0.078209 111 C 8 Z 0.049078 -0.004527 -0.015912 0.002419 0.003877 112 C 8 X -0.827948 -1.718219 1.370661 -1.541417 -1.672911 113 C 8 Y -0.537550 0.646631 1.424069 -0.686064 -3.919953 114 C 8 Z -0.223759 -0.022841 0.362648 -0.050908 -0.535888 115 C 8 XX -0.041923 0.086837 0.075733 -0.037737 -0.061502 116 C 8 YY 0.019671 -0.031342 -0.016532 0.009068 0.026781 117 C 8 ZZ 0.022253 -0.055495 -0.059201 0.028669 0.034720 118 C 8 XY -0.003150 0.090773 0.020620 -0.036590 -0.108450 119 C 8 XZ -0.385140 -0.048485 0.238402 0.069318 0.023103 120 C 8 YZ -0.004926 -0.077375 0.018617 0.097618 -0.027292 121 C 9 S -0.032843 0.002286 0.089933 0.086701 -0.030339 122 C 9 S -0.053054 0.006724 0.151625 0.182924 -0.067469 123 C 9 S 1.285772 0.173622 -1.678897 0.178310 1.097279 124 C 9 X -0.101742 0.058678 0.060474 0.069838 0.164382 125 C 9 Y 0.063147 0.087921 -0.007829 -0.081142 0.016549 126 C 9 Z 0.057609 -0.006237 -0.052201 0.039272 -0.055559 127 C 9 X 1.303630 -0.263744 -1.021278 0.837747 -0.718001 128 C 9 Y -0.718696 -0.880951 -1.179520 1.090081 1.187284 129 C 9 Z 0.464659 -0.243870 0.809192 0.527206 1.467359 130 C 9 XX 0.044799 -0.031303 -0.098600 -0.012109 0.109492 131 C 9 YY -0.028705 0.122997 0.075641 0.025812 -0.057702 132 C 9 ZZ -0.016094 -0.091694 0.022959 -0.013703 -0.051791 133 C 9 XY 0.047139 0.001935 0.041720 -0.036403 0.090556 134 C 9 XZ -0.064060 -0.095291 -0.019413 0.092013 0.014185 135 C 9 YZ -0.120646 0.091903 0.074166 0.001437 0.058425 136 C 10 S 0.191136 -0.059851 0.005748 -0.007970 -0.002416 137 C 10 S 0.392794 -0.148337 0.020100 -0.044696 0.001096 138 C 10 S -2.787355 -0.360409 0.819591 -1.679515 -0.607611 139 C 10 X 0.153233 -0.042552 0.055688 -0.023583 0.051576 140 C 10 Y -0.104248 -0.011334 -0.057163 0.030974 0.076848 141 C 10 Z 0.000180 0.062887 0.178250 0.065264 -0.089376 142 C 10 X -2.528756 0.318884 -2.035593 -1.219505 -1.393675 143 C 10 Y 0.204003 -0.725740 0.539710 1.286352 -1.407372 144 C 10 Z 0.251068 0.364614 0.583773 -0.232978 0.798849 145 C 10 XX 0.016684 -0.096693 0.027293 0.042444 -0.020310 146 C 10 YY -0.005330 0.066113 -0.021963 0.003091 0.059234 147 C 10 ZZ -0.011354 0.030580 -0.005330 -0.045535 -0.038924 148 C 10 XY -0.026914 -0.016499 0.005689 -0.050911 -0.065132 149 C 10 XZ 0.040320 0.001456 0.005575 0.017514 0.002178 150 C 10 YZ -0.036188 0.091042 0.034801 0.042643 0.056846 151 C 11 S -0.037832 0.131934 0.037309 0.097549 -0.027125 152 C 11 S -0.127788 0.271266 0.051633 0.206632 -0.051280 153 C 11 S -1.208380 -1.040622 -1.226302 -1.963056 0.020665 154 C 11 X -0.090424 0.150772 -0.026648 -0.108188 0.025274 155 C 11 Y -0.035483 0.070723 0.045921 -0.061604 -0.057417 156 C 11 Z -0.046948 0.003761 -0.014858 -0.115801 -0.041298 157 C 11 X 2.029009 -1.099362 1.159413 -0.793005 0.650891 158 C 11 Y 1.913324 -0.644866 0.388024 2.969137 -0.733182 159 C 11 Z -0.069288 0.134162 -0.129731 0.379434 -0.434923 160 C 11 XX -0.060268 -0.029035 -0.040865 -0.107256 0.007183 161 C 11 YY -0.026690 0.053179 -0.012574 0.133656 0.005460 162 C 11 ZZ 0.086958 -0.024144 0.053440 -0.026401 -0.012643 163 C 11 XY -0.025643 0.008920 -0.032533 0.131861 0.003863 164 C 11 XZ -0.011361 -0.000092 0.004967 0.014466 -0.026245 165 C 11 YZ -0.011691 -0.145915 -0.191177 0.070758 -0.036592 166 C 12 S 0.085784 -0.058228 0.160111 0.240037 0.058619 167 C 12 S 0.168215 -0.102909 0.290439 0.447035 0.113538 168 C 12 S -1.363658 0.520094 -2.524256 -1.736143 -0.685254 169 C 12 X -0.017842 0.128596 -0.128455 0.051401 -0.070886 170 C 12 Y -0.032994 -0.008557 -0.034113 0.039158 0.004583 171 C 12 Z 0.035497 0.013265 0.170054 -0.048664 0.121946 172 C 12 X -0.392253 -0.062319 -0.619249 -0.697687 -0.211107 173 C 12 Y 0.182979 -0.086766 0.601766 0.112542 0.200259 174 C 12 Z 0.041817 -0.189805 -0.234574 0.398776 -0.346741 175 C 12 XX 0.027521 -0.008921 -0.045444 0.011549 -0.067183 176 C 12 YY -0.002888 0.007343 -0.016267 0.148750 -0.121486 177 C 12 ZZ -0.024633 0.001578 0.061711 -0.160299 0.188669 178 C 12 XY -0.042215 -0.035118 0.120908 -0.051684 0.029555 179 C 12 XZ -0.027216 -0.106726 -0.376834 -0.068116 0.030280 180 C 12 YZ 0.057466 0.144476 -0.014619 0.165222 -0.035207 181 C 13 S 0.044642 -0.051005 -0.094917 -0.003493 -0.011684 182 C 13 S 0.084723 -0.100814 -0.176184 -0.021873 -0.028212 183 C 13 S -0.534493 -0.050640 0.660209 0.295497 -0.054287 184 C 13 X -0.077314 -0.085306 -0.009827 0.029800 -0.008501 185 C 13 Y 0.061385 -0.017658 0.117647 0.076821 0.005921 186 C 13 Z 0.032820 0.024545 -0.070035 0.095846 0.095523 187 C 13 X -0.071533 0.207734 0.219985 -0.182591 0.020385 188 C 13 Y 0.324239 -0.176091 0.213857 0.027314 -0.031276 189 C 13 Z -0.035851 0.067694 0.374752 -0.153952 -0.164685 190 C 13 XX -0.066548 -0.003307 -0.026893 0.032057 0.027483 191 C 13 YY 0.045081 -0.094756 -0.061760 0.068853 0.010063 192 C 13 ZZ 0.021467 0.098063 0.088653 -0.100910 -0.037546 193 C 13 XY 0.072856 0.058452 0.120451 -0.042056 0.009339 194 C 13 XZ -0.259973 -0.195691 -0.049219 0.199377 0.031383 195 C 13 YZ -0.054927 0.056603 -0.080882 0.070397 -0.040187 196 C 14 S -0.204561 -0.022759 -0.166840 -0.051470 0.052816 197 C 14 S -0.364497 -0.031234 -0.306406 -0.100632 0.098803 198 C 14 S 2.913328 -0.540047 1.465708 0.950697 -0.085350 199 C 14 X 0.186512 -0.092730 0.089301 -0.089578 0.005987 200 C 14 Y 0.089806 0.031746 0.067849 -0.011805 -0.071660 201 C 14 Z -0.006008 0.104353 -0.078848 0.015110 -0.075971 202 C 14 X 0.614590 -0.059660 0.535910 0.970002 -0.049983 203 C 14 Y 0.451927 -0.039824 0.184226 -0.304362 0.185689 204 C 14 Z -0.038901 -0.279829 0.086414 -0.121804 0.271103 205 C 14 XX 0.079286 0.000871 0.073554 0.044741 -0.132821 206 C 14 YY 0.061463 -0.205122 -0.008193 -0.234333 -0.018285 207 C 14 ZZ -0.140749 0.204251 -0.065361 0.189592 0.151106 208 C 14 XY 0.206033 -0.022245 0.049069 -0.154763 -0.056278 209 C 14 XZ 0.130488 -0.047914 0.036864 0.139222 0.229744 210 C 14 YZ -0.124802 -0.005313 -0.037776 0.070038 0.058454 211 F 15 S 0.008506 -0.013480 0.007251 0.000176 0.010579 212 F 15 S 0.022905 -0.039116 0.017011 0.009482 0.024128 213 F 15 S 0.025837 0.002587 0.116004 0.056577 0.046929 214 F 15 X -0.093782 0.158503 -0.201466 -0.154618 0.214611 215 F 15 Y 0.064675 0.077847 -0.016352 0.071579 0.019947 216 F 15 Z -0.023641 0.043682 -0.068595 -0.160514 0.022614 217 F 15 X 0.123921 -0.163985 0.328099 0.292567 -0.333849 218 F 15 Y -0.100604 -0.109915 0.015767 -0.171948 -0.005429 219 F 15 Z 0.022149 0.007087 0.193148 0.111031 0.047241 220 F 15 XX -0.004569 -0.003375 -0.017671 -0.006158 0.001845 221 F 15 YY -0.003101 0.002703 -0.008262 -0.006721 -0.008254 222 F 15 ZZ 0.007670 0.000673 0.025933 0.012878 0.006409 223 F 15 XY -0.002463 -0.001186 0.003247 0.003812 -0.009859 224 F 15 XZ 0.000822 0.004643 0.017912 0.009125 -0.015682 225 F 15 YZ -0.005662 -0.010941 0.008114 -0.016292 0.002688 226 F 16 S -0.015305 -0.005308 -0.009884 -0.005176 0.000982 227 F 16 S -0.034836 -0.005688 -0.017811 -0.000736 0.003622 228 F 16 S 0.078770 0.021824 0.063597 0.170031 -0.019463 229 F 16 X 0.067194 -0.098410 0.082844 0.184582 -0.193235 230 F 16 Y -0.047373 0.001274 0.009747 0.012303 -0.111580 231 F 16 Z -0.020422 -0.082546 -0.025093 0.101519 -0.161533 232 F 16 X -0.052111 0.169042 -0.136529 -0.175439 0.269014 233 F 16 Y 0.009225 -0.066475 -0.134792 -0.131015 0.145876 234 F 16 Z 0.041069 0.112085 0.112127 -0.196113 0.291682 235 F 16 XX 0.002933 -0.001905 0.016091 0.003715 -0.003613 236 F 16 YY -0.001612 -0.006111 -0.011619 -0.010395 0.013985 237 F 16 ZZ -0.001321 0.008015 -0.004472 0.006681 -0.010371 238 F 16 XY 0.001978 0.004892 -0.018967 0.000647 0.001393 239 F 16 XZ -0.001494 -0.002781 0.001443 0.007500 -0.006349 240 F 16 YZ -0.003274 0.001295 0.003627 -0.022709 0.011142 241 F 17 S -0.016059 -0.008685 -0.004160 0.009953 0.009785 242 F 17 S -0.043358 -0.024273 -0.012615 0.018163 0.021578 243 F 17 S -0.065623 -0.012047 -0.039451 -0.141144 0.027021 244 F 17 X -0.183255 -0.107717 -0.030052 -0.189662 -0.003680 245 F 17 Y 0.051823 0.112491 -0.049715 0.171389 0.037805 246 F 17 Z 0.002688 -0.150084 0.031886 -0.121703 -0.007776 247 F 17 X 0.307158 0.113442 0.024269 0.193859 0.009340 248 F 17 Y -0.050010 -0.192891 0.065641 -0.267743 -0.130097 249 F 17 Z -0.042461 0.293825 -0.061838 0.177077 -0.022163 250 F 17 XX -0.005837 0.002843 -0.003231 -0.009470 -0.008309 251 F 17 YY -0.006355 0.017820 -0.001869 0.024993 0.012768 252 F 17 ZZ 0.012192 -0.020663 0.005100 -0.015523 -0.004459 253 F 17 XY -0.020794 0.003985 -0.005058 -0.005053 -0.004282 254 F 17 XZ -0.014257 -0.005482 -0.003335 0.003445 -0.000333 255 F 17 YZ -0.006409 -0.009264 -0.005256 -0.007693 0.007056 256 F 18 S -0.002279 0.014659 -0.018599 0.008046 -0.004478 257 F 18 S -0.009382 0.029000 -0.050739 0.021739 -0.010024 258 F 18 S -0.109823 -0.018321 -0.048415 -0.012344 -0.004920 259 F 18 X 0.082519 0.097831 0.023936 0.291552 0.218538 260 F 18 Y -0.114912 0.015706 -0.051839 -0.112041 0.069978 261 F 18 Z 0.065350 0.074000 0.069080 0.044084 0.063629 262 F 18 X -0.094260 -0.160721 -0.027351 -0.495389 -0.338474 263 F 18 Y 0.182523 -0.109239 0.063158 0.119152 -0.108131 264 F 18 Z -0.034143 -0.005335 -0.084638 -0.072802 -0.140034 265 F 18 XX 0.000451 -0.003728 0.004490 0.005243 0.013276 266 F 18 YY -0.002145 0.005052 0.005335 0.007716 0.002447 267 F 18 ZZ 0.001695 -0.001324 -0.009824 -0.012959 -0.015723 268 F 18 XY -0.003904 0.008763 -0.008708 0.009729 0.010927 269 F 18 XZ 0.000911 -0.003294 0.006231 -0.018301 -0.019047 270 F 18 YZ 0.019658 -0.012144 0.007406 -0.004216 -0.001916 271 C 19 S 0.037707 -0.162635 0.175139 -0.133752 -0.334923 272 C 19 S 0.083839 -0.318255 0.327928 -0.251133 -0.617918 273 C 19 S 0.257583 1.340250 -2.077273 1.509635 4.060702 274 C 19 X -0.025538 0.003423 0.029404 0.009992 -0.064868 275 C 19 Y -0.072340 0.004868 0.071152 -0.039549 -0.131495 276 C 19 Z 0.004185 0.008493 -0.012146 -0.016844 -0.017542 277 C 19 X 0.077139 0.267996 0.236176 -0.044075 -0.834790 278 C 19 Y -0.156701 -0.667839 0.629591 -0.543073 -1.069545 279 C 19 Z 0.167739 -0.004515 -0.021864 -0.149304 -0.150811 280 C 19 XX -0.013210 -0.035076 0.017158 -0.001434 -0.001114 281 C 19 YY 0.025077 0.163654 -0.052060 0.075581 0.019831 282 C 19 ZZ -0.011866 -0.128578 0.034903 -0.074147 -0.018717 283 C 19 XY -0.021297 -0.038415 -0.040159 -0.011835 0.066735 284 C 19 XZ -0.085442 -0.022443 0.050384 0.036447 0.010157 285 C 19 YZ 0.069648 0.043692 -0.062880 0.012242 -0.003846 286 H 20 S -0.026884 -0.202680 0.151078 -0.174473 -0.247796 287 H 20 S -0.026685 -0.245631 0.117284 -0.092683 -0.020589 288 H 20 X -0.026631 -0.008717 0.010215 -0.023147 0.020933 289 H 20 Y -0.072916 -0.069055 0.066100 -0.070486 0.023316 290 H 20 Z 0.026868 -0.000055 -0.026953 -0.024463 0.000696 291 H 21 S 0.148923 -0.016921 0.036374 -0.110007 -0.268153 292 H 21 S 0.026140 0.031542 0.049604 -0.008124 -0.094005 293 H 21 X 0.053454 0.043536 -0.077587 -0.040496 0.040534 294 H 21 Y 0.131999 0.101248 -0.104194 -0.008464 0.042618 295 H 21 Z 0.083686 0.047341 -0.036426 -0.007135 0.002499 296 C 22 S 0.030355 0.025888 0.008955 -0.206334 0.111685 297 C 22 S 0.053137 0.040331 0.001098 -0.384717 0.213763 298 C 22 S -0.032521 -0.315493 -0.731348 2.132473 -1.030212 299 C 22 X -0.001283 0.004535 0.055540 -0.034679 0.006660 300 C 22 Y -0.013464 -0.038185 -0.066351 0.049228 0.000722 301 C 22 Z -0.010960 -0.008264 0.008355 0.022150 0.024221 302 C 22 X 0.051110 -0.389508 -0.101896 -0.398932 0.179139 303 C 22 Y 0.045741 -0.379172 -0.334796 0.627007 -0.321324 304 C 22 Z 0.015906 -0.066301 0.184065 0.122385 0.138949 305 C 22 XX -0.033309 0.154566 0.071879 0.000446 0.004251 306 C 22 YY 0.011221 -0.078985 -0.033923 0.058870 -0.023725 307 C 22 ZZ 0.022088 -0.075581 -0.037956 -0.059316 0.019474 308 C 22 XY -0.006919 -0.046134 -0.027223 -0.041518 0.013345 309 C 22 XZ -0.016473 -0.064267 0.044422 0.029678 0.097777 310 C 22 YZ 0.012520 0.005194 0.066065 0.034273 0.024930 311 H 23 S 0.061076 -0.078332 -0.007018 -0.179911 0.084706 312 H 23 S 0.021725 -0.150118 -0.072714 -0.068901 0.027478 313 H 23 X 0.028657 -0.098187 -0.000083 0.017114 0.005892 314 H 23 Y -0.029393 0.106341 -0.009812 -0.022968 0.000262 315 H 23 Z -0.010060 -0.010109 0.019522 0.025263 0.028779 316 H 24 S 0.037745 0.120804 -0.038283 -0.183752 -0.041154 317 H 24 S -0.013030 0.072653 0.001887 -0.036953 0.018368 318 H 24 X -0.005776 0.075879 -0.039948 0.021864 -0.086934 319 H 24 Y 0.002664 -0.062629 0.134019 0.028782 0.144452 320 H 24 Z 0.018703 -0.062458 0.044075 0.000360 0.061572 321 H 25 S 0.015081 0.015611 0.130633 -0.101037 0.192061 322 H 25 S 0.002498 0.055430 0.046634 -0.036704 0.020950 323 H 25 X 0.008322 -0.003212 0.051572 0.012621 0.069095 324 H 25 Y 0.007573 0.024590 -0.110452 -0.079686 -0.117936 325 H 25 Z 0.005241 0.010749 0.032373 -0.018550 0.043282 326 C 26 S -0.053838 0.001855 -0.048956 -0.014844 -0.159375 327 C 26 S -0.102816 0.008046 -0.091364 -0.015507 -0.299206 328 C 26 S 0.264729 -0.254422 0.793305 0.559592 1.559850 329 C 26 X -0.010211 -0.022312 0.030256 0.011260 0.033572 330 C 26 Y -0.012699 0.025128 0.004579 -0.016447 0.023563 331 C 26 Z -0.009589 -0.020655 0.033962 0.082339 0.029043 332 C 26 X -0.309962 0.143991 0.254613 -0.166912 0.228658 333 C 26 Y 0.281152 -0.018586 0.318175 -0.082419 0.024505 334 C 26 Z -0.074049 -0.011990 0.291769 0.266884 0.479089 335 C 26 XX -0.058247 0.034531 -0.056489 0.002868 0.036729 336 C 26 YY 0.118097 0.029583 0.026712 -0.046173 -0.044982 337 C 26 ZZ -0.059850 -0.064114 0.029778 0.043305 0.008253 338 C 26 XY -0.003910 0.007014 -0.048409 0.011780 -0.032565 339 C 26 XZ -0.155621 0.055241 0.080006 -0.065418 0.032625 340 C 26 YZ 0.081645 0.045394 0.108841 0.003615 -0.009719 341 H 27 S -0.074266 -0.071145 0.008756 -0.011478 -0.056271 342 H 27 S -0.000671 0.140828 0.099459 -0.099356 -0.004643 343 H 27 X -0.003877 0.046366 -0.029093 0.016552 0.037215 344 H 27 Y -0.047657 -0.021203 0.024801 0.000134 -0.028116 345 H 27 Z 0.121194 -0.034230 -0.135006 -0.020713 -0.111968 346 H 28 S -0.068098 0.031612 -0.057101 0.034534 -0.116901 347 H 28 S -0.152778 0.059993 -0.083644 0.020087 -0.023575 348 H 28 X 0.058712 -0.004605 -0.021572 0.055398 -0.088876 349 H 28 Y 0.022931 0.011798 0.032412 -0.002212 0.032757 350 H 28 Z 0.049832 0.063967 0.053949 -0.071925 0.052513 351 H 29 S -0.039485 -0.013355 -0.057124 -0.008991 -0.188708 352 H 29 S 0.108892 -0.023956 -0.065555 0.021560 -0.103873 353 H 29 X -0.067491 -0.002588 -0.051447 0.011657 0.025865 354 H 29 Y -0.067885 -0.024757 -0.098085 0.013239 0.086331 355 H 29 Z -0.077856 -0.011666 0.000159 -0.006001 0.003276 356 C 30 S -0.039332 0.069705 0.126937 -0.038339 -0.082042 357 C 30 S -0.067996 0.116233 0.235281 -0.065955 -0.156181 358 C 30 S 0.683326 -1.244240 -0.801950 0.587346 0.956075 359 C 30 X -0.054681 -0.015807 0.013162 -0.006621 -0.031738 360 C 30 Y -0.029204 0.037305 0.011292 -0.014161 -0.010003 361 C 30 Z -0.045558 0.108519 0.007291 -0.054677 -0.002573 362 C 30 X 0.119280 -0.263828 -0.523065 0.078071 0.239960 363 C 30 Y 0.490111 0.106645 0.223025 0.062816 -0.088782 364 C 30 Z -0.425290 0.572523 0.142133 -0.237283 -0.311830 365 C 30 XX 0.051043 0.040738 0.045190 0.010220 -0.029711 366 C 30 YY -0.132983 0.009135 -0.049006 -0.040961 0.009802 367 C 30 ZZ 0.081940 -0.049873 0.003816 0.030741 0.019909 368 C 30 XY 0.003026 -0.032675 -0.065576 -0.002549 0.027905 369 C 30 XZ -0.105712 0.160101 0.127831 -0.104732 -0.037033 370 C 30 YZ -0.134371 0.012220 -0.014030 0.001861 0.017221 371 H 31 S 0.041639 0.064274 0.135539 0.029690 -0.101625 372 H 31 S 0.187477 0.006064 0.131990 0.003264 -0.015948 373 H 31 X -0.001544 0.001990 0.060071 0.027909 -0.079001 374 H 31 Y 0.054497 0.028146 0.015049 0.034360 -0.027782 375 H 31 Z 0.109894 0.018359 0.053824 0.083942 -0.045852 376 H 32 S -0.057729 -0.020085 0.003544 -0.062932 -0.001524 377 H 32 S -0.061309 -0.056004 -0.183533 -0.014872 0.051693 378 H 32 X 0.046809 -0.046628 -0.056075 -0.002330 0.061692 379 H 32 Y -0.009997 0.054741 -0.050727 -0.049078 0.089875 380 H 32 Z 0.059527 -0.216446 -0.104627 0.028192 0.064091 381 H 33 S -0.054852 0.042495 0.167590 0.005246 -0.096955 382 H 33 S -0.108635 0.030377 0.174840 -0.060255 -0.105848 383 H 33 X 0.103500 -0.016043 -0.043466 -0.010668 0.066381 384 H 33 Y -0.045379 -0.023227 0.012861 0.075432 -0.063963 385 H 33 Z -0.091858 0.008804 0.091242 -0.043774 0.017332 386 H 34 S -0.088281 -0.076161 0.191396 -0.030730 -0.254407 387 H 34 S 0.016245 0.010538 0.034811 0.012742 -0.104787 388 H 34 X -0.031930 -0.027668 0.023041 0.072917 0.021566 389 H 34 Y -0.082308 0.015610 0.008874 0.104733 0.046624 390 H 34 Z 0.019559 -0.006109 0.001514 -0.010132 0.004449 391 F 35 S 0.013300 0.008730 0.004030 -0.006254 0.000713 392 F 35 S 0.031825 0.019715 0.005832 -0.011101 0.005022 393 F 35 S -0.008445 -0.012103 -0.065858 0.005419 0.027920 394 F 35 X -0.063506 -0.052361 -0.037381 -0.012516 -0.082400 395 F 35 Y 0.034354 0.044316 -0.090972 0.205196 -0.096408 396 F 35 Z 0.066795 0.175879 0.109806 -0.034121 -0.077342 397 F 35 X 0.000873 -0.035483 -0.010786 0.120407 0.112266 398 F 35 Y -0.064505 -0.041806 0.113589 -0.327323 0.135242 399 F 35 Z -0.132788 -0.256508 -0.191866 0.120734 0.134339 400 F 35 XX 0.015344 0.009443 0.000667 -0.013488 -0.003605 401 F 35 YY -0.001999 -0.003801 -0.000072 0.004842 -0.001407 402 F 35 ZZ -0.013346 -0.005642 -0.000595 0.008647 0.005013 403 F 35 XY -0.005351 0.002412 -0.012245 0.011418 -0.005071 404 F 35 XZ 0.011042 0.011491 0.010350 -0.012109 -0.005348 405 F 35 YZ -0.002219 0.006032 -0.003667 -0.003798 -0.003997 406 F 36 S -0.004486 -0.008261 0.010332 -0.014965 -0.025578 407 F 36 S -0.011224 -0.025989 0.020623 -0.033017 -0.065362 408 F 36 S 0.033311 -0.002550 -0.033949 0.019205 0.021768 409 F 36 X 0.135320 0.176032 0.061219 -0.224229 0.100351 410 F 36 Y 0.103156 -0.162180 0.175809 0.026400 0.067302 411 F 36 Z 0.039901 -0.062614 -0.056855 0.040630 0.045608 412 F 36 X -0.261583 -0.318494 -0.119594 0.370239 -0.122724 413 F 36 Y -0.163557 0.249663 -0.263420 -0.004969 -0.125083 414 F 36 Z -0.044486 0.036255 -0.025817 0.037875 -0.022185 415 F 36 XX 0.000029 0.005627 0.001402 0.008487 0.005909 416 F 36 YY -0.000494 0.001822 -0.004309 0.000598 0.000766 417 F 36 ZZ 0.000465 -0.007449 0.002907 -0.009085 -0.006675 418 F 36 XY -0.005771 -0.001282 -0.001132 -0.004563 0.001837 419 F 36 XZ 0.022500 0.018959 0.004598 -0.022387 0.002330 420 F 36 YZ 0.005588 -0.009786 0.009622 -0.006040 0.008964 421 C 37 S 0.102064 -0.140672 -0.095921 0.001759 0.182942 422 C 37 S 0.221034 -0.272661 -0.188745 -0.001562 0.351999 423 C 37 S -1.141663 2.447153 2.038074 -0.792422 -3.642065 424 C 37 X -0.092299 0.096643 -0.004824 0.021848 0.011336 425 C 37 Y 0.002128 0.031631 -0.055902 0.020479 0.043841 426 C 37 Z 0.073026 -0.032644 -0.081819 0.042193 -0.069432 427 C 37 X 0.603042 -0.512309 -1.164801 1.194559 2.209193 428 C 37 Y 0.449194 1.127603 -0.415775 0.445447 -1.175081 429 C 37 Z 0.060992 0.138238 -0.418264 0.074651 -0.138219 430 C 37 XX -0.031055 0.077306 0.085716 -0.040392 -0.050678 431 C 37 YY 0.028005 -0.028237 -0.031142 0.033933 0.058189 432 C 37 ZZ 0.003050 -0.049069 -0.054574 0.006459 -0.007511 433 C 37 XY -0.004615 -0.054635 0.036490 -0.041729 0.130957 434 C 37 XZ 0.039166 -0.052432 0.135556 0.008467 0.024263 435 C 37 YZ 0.050732 0.044288 0.002684 -0.048878 0.064260 436 S 38 S 0.027811 0.028282 -0.042554 0.028600 0.023604 437 S 38 S 0.197088 0.204623 -0.306130 0.207669 0.165302 438 S 38 S 0.240338 0.265869 -0.392963 0.273265 0.191438 439 S 38 S -0.830031 -0.713457 1.466837 -0.618688 -0.991484 440 S 38 X -0.019591 -0.014150 0.014830 -0.008855 -0.044077 441 S 38 Y -0.003160 -0.025882 -0.009671 -0.025620 0.022859 442 S 38 Z 0.005122 -0.005196 0.000705 -0.000781 -0.003787 443 S 38 X -0.058937 -0.068402 0.040509 -0.025028 -0.152794 444 S 38 Y -0.007114 -0.100893 -0.047446 -0.097282 0.120564 445 S 38 Z -0.000522 -0.028734 0.002648 -0.008075 -0.013933 446 S 38 X -0.158452 -0.435373 0.222351 -0.527736 -0.033172 447 S 38 Y 0.287944 -0.090232 -0.496348 -0.050919 0.447296 448 S 38 Z -0.136147 0.015958 -0.012478 -0.074375 0.089559 449 S 38 XX 0.000218 -0.164647 -0.004196 -0.149166 -0.021751 450 S 38 YY -0.047842 0.072381 0.055926 0.096978 -0.057348 451 S 38 ZZ 0.047623 0.092266 -0.051730 0.052188 0.079099 452 S 38 XY -0.066186 -0.015892 0.007998 0.014903 0.054522 453 S 38 XZ -0.167496 -0.040235 0.027812 0.016013 0.039184 454 S 38 YZ 0.064812 0.020641 0.045597 0.057637 0.007598 455 S 38 XX 0.002343 -0.019011 -0.002820 -0.016964 0.000654 456 S 38 YY -0.004539 0.003293 0.008763 0.008438 -0.008420 457 S 38 ZZ 0.002196 0.015718 -0.005943 0.008526 0.007766 458 S 38 XY -0.010688 -0.000694 0.003574 0.000129 0.001585 459 S 38 XZ -0.029362 -0.006842 0.004524 0.002915 0.005765 460 S 38 YZ 0.011128 0.003433 0.008040 0.008364 0.001115 461 H 39 S 0.044604 -0.104386 -0.016956 -0.164741 -0.177526 462 H 39 S -0.118889 0.130654 0.219424 -0.338585 -0.544890 463 H 39 X 0.005292 -0.015992 0.007812 -0.043497 -0.048207 464 H 39 Y -0.024789 0.003843 -0.026698 -0.038043 0.027240 465 H 39 Z 0.153951 0.024836 0.089361 -0.027708 0.054960 266 267 268 269 270 1.6098 1.6194 1.6251 1.6342 1.6389 A A A A A 1 C 1 S 0.033420 0.041898 -0.011796 0.107314 0.079480 2 C 1 S 0.089900 0.080661 -0.012979 0.213034 0.137711 3 C 1 S -1.148770 -1.323834 0.675225 -1.690241 -1.093084 4 C 1 X -0.049705 -0.022110 -0.009124 -0.098962 -0.032152 5 C 1 Y 0.046769 -0.019150 0.038870 -0.058060 -0.082749 6 C 1 Z 0.048715 0.021783 0.007823 0.031602 -0.022788 7 C 1 X 2.501576 1.229211 -0.451830 0.968045 -1.250359 8 C 1 Y -0.537827 0.388057 -0.600915 1.374795 1.567457 9 C 1 Z -0.238426 -0.092312 -0.007349 -0.142845 0.219064 10 C 1 XX -0.040450 -0.022250 0.035365 -0.051211 -0.007245 11 C 1 YY 0.112866 0.035588 -0.011898 0.044112 -0.001014 12 C 1 ZZ -0.072417 -0.013338 -0.023467 0.007099 0.008258 13 C 1 XY 0.030138 0.038104 0.023801 0.068136 0.003461 14 C 1 XZ 0.005139 0.042721 0.026933 -0.039802 0.013239 15 C 1 YZ -0.020095 -0.141163 0.006997 0.144542 -0.159183 16 C 2 S -0.179392 -0.108395 0.032130 -0.139815 -0.004672 17 C 2 S -0.335328 -0.216033 0.045739 -0.280627 -0.019985 18 C 2 S 4.799116 1.711276 -1.539685 1.690042 -1.300191 19 C 2 X -0.033325 0.032289 -0.019163 0.010181 0.000116 20 C 2 Y 0.049047 -0.068650 -0.018073 -0.121736 -0.071919 21 C 2 Z 0.005593 -0.019183 -0.007836 -0.027620 0.008607 22 C 2 X 1.613029 1.292243 -0.132051 0.444531 -0.606849 23 C 2 Y 0.921743 0.147077 -0.061594 -0.135294 -0.447421 24 C 2 Z -0.163452 0.016295 0.203063 -0.055535 0.023119 25 C 2 XX 0.030583 0.001004 -0.029802 -0.023905 -0.054999 26 C 2 YY -0.003607 -0.020523 0.035673 0.001444 0.034217 27 C 2 ZZ -0.026976 0.019519 -0.005871 0.022461 0.020782 28 C 2 XY 0.085478 0.024204 0.002929 0.012662 -0.000115 29 C 2 XZ -0.062779 -0.044729 -0.016842 0.048301 -0.022741 30 C 2 YZ -0.054322 0.038432 0.123584 -0.076569 0.046258 31 C 3 S 0.044177 0.112834 -0.043096 0.089988 0.007815 32 C 3 S 0.083204 0.223517 -0.115740 0.173449 0.022182 33 C 3 S -0.853846 -0.514376 -0.768730 -1.985174 -0.205226 34 C 3 X -0.060333 0.037668 0.095600 -0.000863 0.102000 35 C 3 Y -0.104569 0.026112 0.052782 -0.141876 -0.013232 36 C 3 Z -0.014608 -0.007083 0.026487 -0.052965 -0.089497 37 C 3 X -2.935124 -2.128036 0.042271 0.654091 1.283332 38 C 3 Y 2.288632 -0.402537 -1.609832 -0.331079 -0.784120 39 C 3 Z -0.037324 -0.388932 -0.565720 0.116464 0.297069 40 C 3 XX 0.061524 -0.012214 -0.082993 -0.015365 -0.000880 41 C 3 YY -0.056660 0.037935 0.043834 0.000850 -0.006314 42 C 3 ZZ -0.004864 -0.025720 0.039159 0.014515 0.007194 43 C 3 XY -0.079673 -0.016884 -0.039735 0.002236 -0.002637 44 C 3 XZ 0.020426 0.150658 0.028552 -0.146577 0.063837 45 C 3 YZ -0.022234 -0.082910 -0.022703 0.009901 0.031516 46 C 4 S -0.077622 -0.162549 -0.044418 -0.108656 0.107454 47 C 4 S -0.160107 -0.303010 -0.065764 -0.200268 0.218927 48 C 4 S -0.713238 1.735522 1.367630 1.158705 0.046723 49 C 4 X 0.038823 0.065982 0.064414 0.016731 0.023715 50 C 4 Y 0.137073 0.022540 0.006788 -0.183236 -0.160253 51 C 4 Z 0.078519 0.045127 -0.026837 0.033471 -0.083639 52 C 4 X -0.676950 -1.082159 -1.187821 -0.317025 0.056412 53 C 4 Y -3.191882 -0.958019 0.244026 0.770384 2.232115 54 C 4 Z -0.180129 -0.397496 -0.116293 0.995994 0.588954 55 C 4 XX -0.102478 0.065541 0.043676 0.046738 0.057396 56 C 4 YY 0.094781 -0.070113 -0.041616 -0.039631 -0.037736 57 C 4 ZZ 0.007697 0.004572 -0.002061 -0.007107 -0.019660 58 C 4 XY 0.020896 0.024167 -0.065861 -0.032767 -0.007847 59 C 4 XZ 0.011140 0.078276 -0.010784 0.008714 -0.150834 60 C 4 YZ 0.135086 -0.056745 -0.029429 0.050334 -0.023220 61 S 5 S 0.048547 0.030436 -0.013181 0.029507 -0.041935 62 S 5 S 0.346979 0.218808 -0.094211 0.210513 -0.302012 63 S 5 S 0.428183 0.278554 -0.119176 0.256466 -0.386382 64 S 5 S -1.503349 -0.836765 0.707884 -0.833293 1.028047 65 S 5 X 0.002975 0.002669 -0.007846 -0.001640 0.008475 66 S 5 Y 0.003999 0.020763 0.004167 0.015026 -0.008518 67 S 5 Z 0.012475 0.003757 0.008435 -0.011071 -0.007401 68 S 5 X 0.025703 0.012059 -0.019223 0.009022 0.032280 69 S 5 Y 0.050616 0.091455 0.015087 0.053331 -0.063116 70 S 5 Z 0.055538 0.017135 0.031368 -0.049987 -0.015710 71 S 5 X 0.483391 0.263614 -0.180983 0.219972 -0.414340 72 S 5 Y 0.516878 0.219441 -0.059621 0.384534 0.070261 73 S 5 Z -0.188504 -0.001650 0.034248 0.063760 0.191784 74 S 5 XX -0.049530 0.004111 -0.033618 0.004690 0.014491 75 S 5 YY -0.036257 -0.052530 0.059346 -0.104935 0.007361 76 S 5 ZZ 0.085788 0.048419 -0.025728 0.100245 -0.021852 77 S 5 XY -0.039893 -0.006442 0.017010 -0.044896 -0.042098 78 S 5 XZ 0.093729 0.013194 0.000121 0.047943 -0.131879 79 S 5 YZ 0.057760 -0.005954 0.030222 0.019820 -0.006971 80 S 5 XX -0.008493 0.003264 -0.004190 -0.000670 0.001022 81 S 5 YY -0.001618 -0.008089 0.008908 -0.014449 -0.001014 82 S 5 ZZ 0.010111 0.004825 -0.004718 0.015119 -0.000008 83 S 5 XY -0.006510 0.001185 0.002609 -0.001827 -0.001699 84 S 5 XZ 0.014924 0.002605 0.001109 0.007172 -0.022392 85 S 5 YZ 0.010479 -0.001045 0.004468 0.005295 -0.000905 86 H 6 S -0.074612 0.093596 0.089568 -0.097072 -0.041624 87 H 6 S 0.322416 0.184608 0.034310 -0.024793 -0.197707 88 H 6 X -0.039575 -0.015985 0.033184 0.007706 0.038750 89 H 6 Y -0.010551 -0.029180 -0.027600 0.000657 0.012940 90 H 6 Z 0.145173 0.033225 -0.052558 0.041807 -0.137469 91 C 7 S 0.021227 0.094666 0.111461 -0.197660 -0.057792 92 C 7 S 0.039620 0.206222 0.196557 -0.391903 -0.110982 93 C 7 S -1.483898 -0.094632 -2.581272 3.737931 1.413411 94 C 7 X 0.044450 -0.073561 0.042842 -0.070455 -0.152354 95 C 7 Y -0.066041 0.015702 0.152006 -0.006354 -0.035232 96 C 7 Z -0.018367 -0.083740 -0.039161 -0.017593 0.022859 97 C 7 X 1.088747 0.163558 1.746515 -0.239423 1.032257 98 C 7 Y 1.735983 -1.113563 -1.270101 -1.136007 -0.323094 99 C 7 Z -0.480799 0.136345 -0.087237 0.418739 -0.131210 100 C 7 XX -0.004265 0.032952 0.005388 -0.026396 -0.039267 101 C 7 YY 0.004434 0.062370 0.027069 -0.040141 0.031943 102 C 7 ZZ -0.000168 -0.095322 -0.032457 0.066537 0.007324 103 C 7 XY -0.135776 -0.019675 -0.029206 0.117759 -0.035744 104 C 7 XZ 0.054203 -0.091813 -0.020515 -0.054120 0.089243 105 C 7 YZ 0.069477 -0.122889 0.036266 -0.269650 0.109090 106 C 8 S -0.078016 -0.012647 0.035360 0.096453 0.094784 107 C 8 S -0.161904 -0.021100 0.074304 0.197800 0.200666 108 C 8 S 0.072421 0.742092 -0.072110 -1.690398 -1.251531 109 C 8 X 0.076637 -0.127489 -0.050527 -0.102670 0.019647 110 C 8 Y 0.006437 0.039880 0.000439 -0.022765 -0.076341 111 C 8 Z 0.011229 -0.001633 -0.018226 0.004516 -0.025739 112 C 8 X -1.248281 1.955438 0.860347 0.786783 -0.518512 113 C 8 Y 0.666782 -0.314740 -0.021712 2.580103 1.746612 114 C 8 Z 0.194781 0.053318 0.098751 0.308971 0.267575 115 C 8 XX -0.023775 0.044312 -0.008696 0.068339 0.084551 116 C 8 YY -0.032196 -0.014117 0.003440 -0.060923 -0.056957 117 C 8 ZZ 0.055972 -0.030195 0.005256 -0.007416 -0.027594 118 C 8 XY -0.042722 -0.019395 -0.018059 0.054782 0.063525 119 C 8 XZ 0.179518 0.138612 0.057572 0.062548 0.071429 120 C 8 YZ 0.205711 0.099847 0.169139 0.032615 0.005136 121 C 9 S -0.160824 -0.105503 -0.030995 -0.141317 0.049661 122 C 9 S -0.299800 -0.242502 -0.067199 -0.255293 0.080558 123 C 9 S 2.971917 -0.607417 -0.852366 -0.592981 -2.549750 124 C 9 X -0.044843 -0.015626 0.042153 -0.045187 0.174371 125 C 9 Y 0.111904 0.054128 -0.048455 0.085495 -0.007251 126 C 9 Z 0.010709 -0.093829 -0.034267 0.001724 -0.053262 127 C 9 X 1.076618 0.149650 0.810579 0.468102 -0.696342 128 C 9 Y -1.317626 -0.303543 0.524283 -1.240899 -0.572099 129 C 9 Z 1.071355 0.155504 -0.796043 -1.605625 -0.963884 130 C 9 XX -0.027146 -0.023621 -0.046329 -0.042465 0.009133 131 C 9 YY -0.002386 0.090366 0.037699 -0.019188 -0.084284 132 C 9 ZZ 0.029532 -0.066746 0.008629 0.061653 0.075150 133 C 9 XY -0.019081 -0.030454 -0.057365 -0.081125 0.001999 134 C 9 XZ 0.021314 0.048342 0.031618 0.066388 -0.022625 135 C 9 YZ -0.025718 0.069002 0.077139 -0.031352 0.035603 136 C 10 S -0.093492 -0.058428 -0.020609 0.127053 0.105663 137 C 10 S -0.153972 -0.138575 -0.051918 0.246303 0.264311 138 C 10 S 2.759875 -0.883985 0.091880 -2.192727 0.541229 139 C 10 X -0.154361 0.068559 -0.039694 0.131915 -0.023017 140 C 10 Y -0.009377 0.004620 -0.158921 0.024318 -0.178998 141 C 10 Z -0.051236 0.005195 0.050874 -0.074411 -0.050411 142 C 10 X 2.439315 -0.883921 0.889491 -2.749902 -2.375537 143 C 10 Y -0.097866 0.846305 3.455583 -0.294626 1.060611 144 C 10 Z 0.030627 -0.193777 -0.620480 0.049161 0.503293 145 C 10 XX 0.003455 0.028671 0.029789 0.021387 0.051285 146 C 10 YY 0.064735 -0.037770 -0.066848 -0.004491 0.038250 147 C 10 ZZ -0.068190 0.009099 0.037059 -0.016896 -0.089535 148 C 10 XY -0.027041 -0.015043 0.139328 -0.030776 -0.094219 149 C 10 XZ -0.030194 0.078580 -0.017146 -0.002723 -0.034831 150 C 10 YZ 0.022461 0.078611 0.047186 -0.050449 0.039864 151 C 11 S 0.048662 -0.096628 0.012167 -0.098430 -0.133633 152 C 11 S 0.052102 -0.176758 0.059596 -0.183426 -0.299958 153 C 11 S -3.269200 0.803657 2.675322 1.638944 1.930257 154 C 11 X -0.057049 0.148228 0.066773 0.031593 0.070010 155 C 11 Y -0.006031 0.023798 0.057816 0.003197 -0.129817 156 C 11 Z 0.005839 0.092159 -0.054850 -0.137297 0.001527 157 C 11 X -2.054411 -1.834108 0.371644 1.551956 1.673669 158 C 11 Y -0.437316 1.172961 1.168312 -0.069969 0.232747 159 C 11 Z -0.202404 0.201733 0.663719 0.142240 -0.108179 160 C 11 XX 0.017843 0.007433 0.021090 0.017767 -0.021449 161 C 11 YY 0.026636 0.019468 -0.002290 0.006676 -0.027757 162 C 11 ZZ -0.044479 -0.026901 -0.018800 -0.024444 0.049206 163 C 11 XY -0.005719 0.040566 -0.068633 0.017518 0.014969 164 C 11 XZ -0.009044 0.057556 0.022171 -0.019773 0.029642 165 C 11 YZ -0.012911 0.042503 0.065180 -0.079674 0.022736 166 C 12 S 0.031979 0.069893 0.043017 -0.135431 0.256441 167 C 12 S 0.052827 0.139071 0.093524 -0.274829 0.458842 168 C 12 S 0.548781 -0.424317 -0.412587 -0.175539 -3.088549 169 C 12 X 0.023144 -0.081012 0.009302 -0.105694 -0.203626 170 C 12 Y 0.072701 -0.097983 0.057837 0.052204 0.057040 171 C 12 Z 0.009280 -0.007785 -0.035802 -0.064498 0.124679 172 C 12 X 0.383287 -0.326906 -0.142862 -0.404013 -0.568059 173 C 12 Y -0.122311 0.206183 -0.653738 -0.230614 0.412088 174 C 12 Z -0.033837 -0.006357 0.325332 0.053162 0.053909 175 C 12 XX -0.097915 0.039511 -0.107176 0.001733 -0.135743 176 C 12 YY -0.034652 -0.045732 0.051806 0.038356 -0.103818 177 C 12 ZZ 0.132568 0.006221 0.055370 -0.040090 0.239562 178 C 12 XY 0.128918 0.026479 -0.127836 -0.103857 0.270875 179 C 12 XZ 0.051460 0.172259 0.150454 0.167135 0.043025 180 C 12 YZ -0.147812 0.144087 -0.140151 -0.051238 -0.179030 181 C 13 S -0.109296 0.212920 -0.115461 0.205181 -0.094725 182 C 13 S -0.211505 0.396974 -0.202855 0.392564 -0.180331 183 C 13 S 0.432226 -0.659793 0.289152 -1.494902 0.635767 184 C 13 X -0.005498 0.067923 -0.109041 0.058953 -0.013809 185 C 13 Y -0.040976 -0.025256 0.000994 0.030079 0.018507 186 C 13 Z 0.021480 0.016775 0.022261 -0.006017 0.115069 187 C 13 X 0.136430 -0.304181 0.538921 -0.496237 0.252293 188 C 13 Y 0.106122 -0.126126 0.274397 -0.042789 0.379783 189 C 13 Z 0.008092 -0.078267 -0.010153 -0.180372 -0.085481 190 C 13 XX 0.028247 -0.052237 0.069232 -0.091023 0.099005 191 C 13 YY -0.016467 0.075770 -0.091128 0.060335 -0.015051 192 C 13 ZZ -0.011779 -0.023533 0.021897 0.030687 -0.083955 193 C 13 XY 0.055470 -0.019332 0.015903 -0.014440 0.170857 194 C 13 XZ 0.092604 -0.047729 -0.277034 0.006470 0.066281 195 C 13 YZ 0.039055 -0.019116 -0.031718 -0.030631 0.018622 196 C 14 S -0.020968 0.179110 -0.153491 -0.056393 -0.092529 197 C 14 S -0.049647 0.346403 -0.297390 -0.111473 -0.165714 198 C 14 S -0.687473 -1.430458 0.557337 1.094531 1.023734 199 C 14 X -0.020540 -0.067805 -0.004637 -0.013916 0.064842 200 C 14 Y -0.044810 0.073567 -0.064065 0.037674 0.016108 201 C 14 Z -0.038017 0.051982 0.032392 0.034279 -0.054452 202 C 14 X -0.283736 -0.471123 0.028590 -0.074258 0.011492 203 C 14 Y 0.017275 -0.597409 0.212259 0.318164 0.183570 204 C 14 Z 0.079808 -0.198823 -0.200344 -0.144584 0.102386 205 C 14 XX 0.029342 0.005839 -0.085967 -0.011497 -0.006511 206 C 14 YY -0.002370 0.065125 -0.046011 -0.048983 0.121512 207 C 14 ZZ -0.026972 -0.070963 0.131978 0.060480 -0.115001 208 C 14 XY 0.080197 -0.072909 0.034515 0.002024 0.207050 209 C 14 XZ 0.006613 -0.018717 -0.010671 0.105808 0.035658 210 C 14 YZ 0.063782 -0.175753 0.039993 -0.009652 -0.075660 211 F 15 S -0.000001 0.007691 0.006225 -0.019104 0.033248 212 F 15 S -0.001672 0.023148 0.013842 -0.046877 0.088555 213 F 15 S 0.007404 0.010665 -0.047989 0.005039 0.081297 214 F 15 X 0.205401 0.004216 0.077191 0.065316 0.186466 215 F 15 Y -0.040645 0.269274 -0.342133 -0.103772 0.053911 216 F 15 Z 0.025415 -0.046417 0.108936 0.058595 0.013676 217 F 15 X -0.298796 -0.038131 -0.118640 -0.115880 -0.305934 218 F 15 Y 0.119196 -0.425629 0.527167 0.160567 -0.019803 219 F 15 Z -0.011346 0.028290 -0.169114 -0.147547 -0.009561 220 F 15 XX 0.000843 0.010151 0.007953 0.013093 0.003492 221 F 15 YY 0.003780 -0.011962 0.002387 0.004330 -0.012511 222 F 15 ZZ -0.004622 0.001811 -0.010340 -0.017423 0.009019 223 F 15 XY -0.001645 0.001601 -0.000180 -0.011436 -0.002682 224 F 15 XZ -0.011355 -0.013003 -0.011811 -0.005407 -0.021452 225 F 15 YZ 0.013867 -0.017627 0.021780 0.000420 0.018539 226 F 16 S 0.015895 -0.016057 0.004555 0.009724 -0.000614 227 F 16 S 0.042424 -0.043222 0.005555 0.016255 0.008970 228 F 16 S -0.005321 0.002094 0.089450 -0.069744 0.151278 229 F 16 X 0.043655 -0.056493 0.147252 -0.243138 0.100974 230 F 16 Y -0.016197 -0.221750 0.076034 0.039407 -0.138761 231 F 16 Z -0.133084 0.005576 0.154371 0.044292 -0.151253 232 F 16 X -0.098708 0.105039 -0.229077 0.337258 -0.190205 233 F 16 Y 0.060953 0.238726 0.052856 0.054416 0.128051 234 F 16 Z 0.205217 0.003671 -0.206945 -0.099744 0.326972 235 F 16 XX -0.000558 -0.000557 -0.005099 -0.007450 0.009456 236 F 16 YY 0.012442 0.005728 0.008150 0.001577 0.018845 237 F 16 ZZ -0.011883 -0.005171 -0.003051 0.005873 -0.028301 238 F 16 XY -0.008133 0.002958 -0.004503 0.010660 -0.022022 239 F 16 XZ 0.006030 -0.001449 -0.002246 -0.010170 0.008235 240 F 16 YZ 0.009090 -0.002415 -0.007397 -0.004073 0.012538 241 F 17 S 0.006165 -0.013842 -0.002680 0.005542 -0.012637 242 F 17 S 0.013518 -0.025920 -0.011134 0.011332 -0.033995 243 F 17 S 0.005115 0.062923 -0.045984 -0.064457 0.005003 244 F 17 X -0.003687 -0.073920 -0.061340 -0.247775 -0.080271 245 F 17 Y -0.033934 0.180203 -0.022907 -0.073930 0.110625 246 F 17 Z 0.006593 -0.042047 -0.108045 0.049802 -0.026561 247 F 17 X 0.021226 0.130650 0.093046 0.360534 0.178965 248 F 17 Y 0.010257 -0.086956 -0.050522 0.050683 -0.133607 249 F 17 Z -0.022945 0.103684 0.149410 -0.050417 -0.022366 250 F 17 XX -0.000486 0.003936 -0.002966 -0.000544 -0.006494 251 F 17 YY 0.000134 -0.003764 0.008595 0.000022 -0.004020 252 F 17 ZZ 0.000352 -0.000173 -0.005629 0.000522 0.010514 253 F 17 XY -0.001638 0.003808 -0.001902 -0.008728 -0.012458 254 F 17 XZ -0.006197 0.002122 -0.004763 -0.010635 -0.012252 255 F 17 YZ 0.003214 0.003766 -0.010150 -0.004626 0.002459 256 F 18 S -0.010541 0.004547 -0.012707 -0.000825 -0.008158 257 F 18 S -0.025568 0.016567 -0.038978 -0.003739 -0.023387 258 F 18 S 0.027127 0.079108 0.000954 -0.021149 -0.056480 259 F 18 X -0.134075 0.042572 0.102096 0.127816 -0.056647 260 F 18 Y 0.083881 -0.241066 -0.009295 0.193804 -0.171847 261 F 18 Z -0.017931 -0.141153 0.161834 0.054054 0.017725 262 F 18 X 0.195088 -0.048176 -0.166108 -0.179387 0.107765 263 F 18 Y -0.121695 0.410911 -0.078253 -0.261004 0.259992 264 F 18 Z -0.016334 0.203880 -0.161515 -0.055942 0.010209 265 F 18 XX -0.001369 -0.000132 0.001602 0.007541 0.000561 266 F 18 YY 0.003509 -0.019555 0.010483 -0.000227 -0.006656 267 F 18 ZZ -0.002139 0.019687 -0.012085 -0.007313 0.006095 268 F 18 XY -0.000617 0.003266 0.006942 0.010925 -0.004329 269 F 18 XZ 0.008727 -0.007521 -0.000249 -0.006763 0.008440 270 F 18 YZ -0.002274 0.011360 -0.001012 -0.003503 0.018954 271 C 19 S 0.046477 0.141593 0.018378 0.173423 -0.022016 272 C 19 S 0.089807 0.273843 0.033175 0.322649 -0.056018 273 C 19 S -0.221220 -1.266767 -0.352198 -2.103901 -0.442788 274 C 19 X 0.021275 -0.012610 0.022245 0.005187 0.032448 275 C 19 Y -0.020826 0.014366 0.022130 0.053773 0.068157 276 C 19 Z -0.042639 -0.012803 -0.004121 0.004904 0.007213 277 C 19 X 0.402665 -0.294806 -0.227602 0.579350 0.508482 278 C 19 Y -0.116587 0.605229 0.241991 0.493169 -0.081065 279 C 19 Z -0.130587 -0.003012 -0.072078 0.047832 -0.040271 280 C 19 XX -0.013797 0.051780 0.053832 -0.011683 -0.043714 281 C 19 YY 0.089575 -0.151671 -0.091065 0.032471 0.120106 282 C 19 ZZ -0.075778 0.099892 0.037233 -0.020788 -0.076392 283 C 19 XY -0.063097 0.055958 0.051038 -0.043670 -0.087198 284 C 19 XZ 0.066643 0.031313 0.036196 0.001271 0.011326 285 C 19 YZ -0.001950 -0.066203 -0.005000 -0.027584 0.009389 286 H 20 S -0.076317 0.193653 0.059644 0.098005 -0.077940 287 H 20 S -0.086577 0.234819 0.107226 -0.054118 -0.156559 288 H 20 X -0.040998 0.036517 0.008546 -0.008380 -0.008860 289 H 20 Y -0.092956 0.147265 0.065371 -0.029628 -0.048070 290 H 20 Z -0.054802 0.012575 0.013173 0.015647 -0.060353 291 H 21 S -0.009384 0.001975 -0.039332 0.120834 0.009032 292 H 21 S 0.060405 -0.022985 -0.030458 0.045219 0.040712 293 H 21 X -0.128256 -0.047577 -0.058435 0.001642 -0.069416 294 H 21 Y -0.076582 -0.143260 -0.122235 -0.069163 0.001962 295 H 21 Z -0.016114 -0.083903 -0.093987 -0.034106 0.022543 296 C 22 S 0.072670 -0.039861 0.079057 -0.222733 -0.278480 297 C 22 S 0.127578 -0.074515 0.153800 -0.427154 -0.524445 298 C 22 S -1.163370 0.320881 -0.698699 1.865720 2.768550 299 C 22 X 0.024368 -0.006738 0.003035 -0.002390 -0.024426 300 C 22 Y -0.060157 0.016882 0.003705 0.005243 0.044971 301 C 22 Z -0.020640 -0.016461 0.005277 0.008222 -0.011689 302 C 22 X -0.364911 -0.408927 0.312025 -0.724170 -0.324978 303 C 22 Y -0.672133 -0.114759 -0.101646 0.294357 0.958232 304 C 22 Z 0.014622 -0.023668 -0.043042 0.169265 -0.007604 305 C 22 XX 0.181327 0.104205 -0.055796 0.137466 -0.055131 306 C 22 YY -0.084942 -0.029328 0.005812 -0.018323 0.082579 307 C 22 ZZ -0.096385 -0.074877 0.049983 -0.119143 -0.027448 308 C 22 XY -0.018899 -0.041219 0.045067 -0.085513 -0.055009 309 C 22 XZ -0.045044 -0.052447 0.011882 0.013915 -0.037014 310 C 22 YZ 0.035987 0.011426 -0.008846 0.041341 -0.016788 311 H 23 S -0.064487 -0.110521 0.089535 -0.244689 -0.161672 312 H 23 S -0.162574 -0.145646 0.088199 -0.215188 -0.023494 313 H 23 X -0.058521 -0.049292 0.039624 -0.042605 0.046789 314 H 23 Y 0.077965 0.048904 -0.031853 0.024962 -0.072933 315 H 23 Z -0.008498 0.014262 0.012808 0.092295 0.043145 316 H 24 S 0.135140 0.052675 0.027417 -0.155344 -0.155793 317 H 24 S 0.076063 0.028339 0.008583 -0.013282 -0.082525 318 H 24 X 0.015790 0.070808 -0.001658 0.043856 0.105546 319 H 24 Y -0.007387 -0.080990 0.019540 0.100950 -0.073913 320 H 24 Z 0.001470 -0.053520 -0.006510 -0.005736 -0.065552 321 H 25 S 0.101207 -0.042287 0.024850 -0.062509 -0.259498 322 H 25 S 0.094325 0.042420 -0.012691 0.027792 -0.054667 323 H 25 X 0.048146 -0.029147 -0.044628 0.033331 -0.078282 324 H 25 Y 0.007262 0.043442 0.038523 -0.157225 0.041604 325 H 25 Z 0.046778 -0.009819 -0.025860 0.012882 -0.071263 326 C 26 S 0.105896 -0.078865 0.071670 0.073721 -0.022928 327 C 26 S 0.201674 -0.161100 0.129978 0.107250 -0.060410 328 C 26 S -0.515677 0.438757 -0.705102 -1.520428 -0.222901 329 C 26 X -0.011520 0.040257 -0.012738 0.026455 0.038017 330 C 26 Y 0.054529 0.041681 -0.046783 0.007246 0.002271 331 C 26 Z 0.011616 0.000693 -0.033212 -0.166625 -0.094288 332 C 26 X -0.300935 -0.226383 -0.169518 -0.143434 0.228322 333 C 26 Y 0.410900 0.109733 -0.137344 -0.067449 -0.167165 334 C 26 Z -0.218983 -0.009268 -0.164549 -0.473781 0.008689 335 C 26 XX -0.125822 -0.054750 0.021855 0.013747 0.082377 336 C 26 YY 0.156009 0.114199 -0.021800 0.074326 -0.093074 337 C 26 ZZ -0.030186 -0.059449 -0.000055 -0.088073 0.010698 338 C 26 XY -0.016298 -0.014680 0.019625 -0.029404 -0.020565 339 C 26 XZ -0.113926 -0.045122 -0.073906 -0.056157 0.018149 340 C 26 YZ 0.058841 -0.004170 -0.034604 -0.026848 -0.024439 341 H 27 S 0.132413 -0.019796 -0.006392 0.086220 0.013707 342 H 27 S 0.047387 -0.143305 0.040836 0.013854 0.039387 343 H 27 X 0.065013 0.006793 0.003223 -0.076162 -0.018011 344 H 27 Y -0.087671 0.014972 0.039431 0.046415 -0.052343 345 H 27 Z 0.011352 -0.061436 -0.011286 0.074601 0.057181 346 H 28 S -0.069554 -0.143881 0.076280 0.046227 0.048863 347 H 28 S -0.054105 -0.045884 0.032029 0.097772 0.080986 348 H 28 X -0.026133 0.005242 0.056223 0.108696 -0.082271 349 H 28 Y 0.018197 0.069436 0.058829 -0.030502 -0.069261 350 H 28 Z 0.095916 0.133664 0.042555 -0.017563 -0.074151 351 H 29 S 0.197706 0.003847 0.075459 0.046381 -0.111857 352 H 29 S 0.089633 0.037930 0.030089 0.134362 -0.053654 353 H 29 X -0.029627 -0.029249 0.002380 -0.043502 0.006820 354 H 29 Y -0.006050 0.012915 0.052786 -0.126235 0.015743 355 H 29 Z -0.109193 -0.058409 -0.032281 0.063514 0.049843 356 C 30 S -0.162873 -0.132067 -0.033223 0.223603 0.287987 357 C 30 S -0.322071 -0.269989 -0.064145 0.431067 0.579591 358 C 30 S 1.216694 0.627724 0.041291 -1.879239 -1.757327 359 C 30 X -0.033089 0.023757 -0.008212 -0.011477 0.015322 360 C 30 Y 0.043168 0.027131 0.033367 0.031860 -0.045466 361 C 30 Z 0.068709 0.066604 0.035871 0.000344 -0.124370 362 C 30 X 0.362126 0.044049 0.268199 0.151011 0.007693 363 C 30 Y 0.603693 -0.086328 -0.216764 -0.074889 -0.348769 364 C 30 Z -0.586745 -0.106378 0.006696 0.537688 0.533778 365 C 30 XX 0.031142 0.017636 -0.017396 0.022478 -0.065832 366 C 30 YY -0.129370 -0.002921 0.024195 0.009691 0.083000 367 C 30 ZZ 0.098228 -0.014715 -0.006799 -0.032170 -0.017168 368 C 30 XY 0.061432 -0.020937 0.012624 -0.016386 0.001434 369 C 30 XZ -0.161958 -0.060558 -0.104546 -0.042758 0.024108 370 C 30 YZ -0.158616 -0.087028 -0.004639 0.036672 0.112335 371 H 31 S -0.034850 -0.133382 -0.053913 0.186016 0.159051 372 H 31 S 0.203156 -0.081211 -0.104177 -0.020394 -0.091743 373 H 31 X 0.088164 -0.023761 0.014089 -0.057069 0.025743 374 H 31 Y 0.007142 -0.006471 -0.005141 -0.070574 -0.027122 375 H 31 Z 0.059198 0.011493 -0.012923 -0.068093 -0.076381 376 H 32 S -0.086952 -0.076824 -0.028176 0.158997 0.236705 377 H 32 S -0.056570 0.006339 0.204941 0.202476 0.130571 378 H 32 X -0.103408 -0.010582 0.000091 0.086242 0.061911 379 H 32 Y -0.202752 -0.034762 -0.052052 0.018996 0.032389 380 H 32 Z 0.078825 -0.024970 0.085652 0.080229 0.148056 381 H 33 S -0.218705 -0.003494 0.016846 0.193303 0.219687 382 H 33 S -0.169881 -0.026892 -0.063187 0.041287 0.133516 383 H 33 X -0.015804 0.020287 -0.016977 0.045381 -0.023063 384 H 33 Y 0.066209 -0.023159 0.066140 -0.093736 0.025909 385 H 33 Z -0.083702 -0.007836 -0.090125 0.010439 -0.013778 386 H 34 S 0.161758 0.105776 0.026441 0.175378 0.054293 387 H 34 S 0.039409 -0.032929 -0.010933 0.061939 0.055966 388 H 34 X 0.130603 0.020445 0.047902 -0.007785 0.028183 389 H 34 Y 0.145845 0.016132 0.084212 0.035030 0.019389 390 H 34 Z -0.016679 -0.003370 -0.023580 -0.028440 -0.002397 391 F 35 S -0.011127 0.014923 0.012087 -0.014221 0.003594 392 F 35 S -0.028755 0.043556 0.022282 -0.026536 0.005920 393 F 35 S 0.013284 -0.006289 -0.007799 0.114812 -0.025310 394 F 35 X 0.065108 -0.120110 -0.045390 0.021808 -0.081104 395 F 35 Y 0.052873 -0.047991 0.053347 -0.005934 -0.007624 396 F 35 Z 0.070025 -0.042048 -0.032894 0.013861 -0.038988 397 F 35 X -0.078150 0.207873 -0.128600 0.072493 0.056826 398 F 35 Y -0.045639 0.074216 -0.125681 0.019526 0.032092 399 F 35 Z -0.068347 0.057143 -0.002318 -0.043826 0.116899 400 F 35 XX -0.003340 -0.002035 0.012862 0.004432 -0.006700 401 F 35 YY -0.000594 0.005030 -0.009831 0.002993 -0.002489 402 F 35 ZZ 0.003934 -0.002995 -0.003031 -0.007425 0.009190 403 F 35 XY -0.003700 -0.000817 0.005787 -0.001075 -0.016666 404 F 35 XZ -0.001106 -0.002750 0.008862 0.001650 -0.009952 405 F 35 YZ 0.002142 0.002879 -0.001834 0.001352 -0.000119 406 F 36 S -0.003887 0.001238 0.002016 -0.005133 -0.017745 407 F 36 S -0.012841 0.011400 -0.000557 -0.007326 -0.046524 408 F 36 S -0.044024 0.089805 -0.077015 0.112101 -0.036899 409 F 36 X -0.126130 0.114981 0.399393 -0.032715 0.031896 410 F 36 Y -0.146467 0.045672 0.143496 -0.048957 -0.004390 411 F 36 Z -0.083281 0.212575 -0.123797 0.087199 -0.031408 412 F 36 X 0.169359 -0.109922 -0.661229 0.077794 -0.048276 413 F 36 Y 0.190544 -0.056282 -0.186642 0.056168 -0.014822 414 F 36 Z 0.097470 -0.202528 0.117799 -0.081364 0.084025 415 F 36 XX 0.005771 -0.003174 0.003740 -0.007218 0.011754 416 F 36 YY 0.002948 -0.008466 0.003811 -0.003636 0.002453 417 F 36 ZZ -0.008719 0.011640 -0.007551 0.010854 -0.014207 418 F 36 XY 0.000411 0.002799 -0.007359 0.001302 0.001322 419 F 36 XZ -0.008869 0.001935 0.036313 -0.001100 -0.001540 420 F 36 YZ -0.004695 0.000609 0.003493 0.000383 -0.000244 421 C 37 S -0.046704 -0.037400 -0.055249 -0.208352 -0.104558 422 C 37 S -0.087365 -0.080835 -0.125693 -0.410051 -0.199706 423 C 37 S 0.453126 -0.626579 -0.454604 3.375531 3.089057 424 C 37 X -0.025180 -0.022788 0.037708 0.014384 0.022398 425 C 37 Y 0.063000 0.001335 -0.013657 0.019911 -0.009261 426 C 37 Z 0.115384 -0.010579 0.069586 0.011041 -0.015170 427 C 37 X 0.611121 -0.522158 -0.073792 -1.998480 -0.987579 428 C 37 Y 0.960950 -0.958707 -0.203762 1.125929 0.506095 429 C 37 Z -0.122722 -0.126243 0.148476 0.274985 0.001688 430 C 37 XX -0.050431 0.057865 0.024734 -0.015595 0.026847 431 C 37 YY 0.051876 0.036332 0.026730 -0.013683 -0.053462 432 C 37 ZZ -0.001444 -0.094197 -0.051464 0.029278 0.026615 433 C 37 XY -0.077168 0.086056 -0.015796 -0.091516 -0.011296 434 C 37 XZ 0.133529 0.048451 -0.055703 -0.058776 -0.020125 435 C 37 YZ -0.077969 -0.036826 -0.091193 -0.107806 -0.025064 436 S 38 S 0.037558 -0.061805 -0.035748 0.000390 0.030164 437 S 38 S 0.266214 -0.441848 -0.249783 0.004594 0.215107 438 S 38 S 0.322864 -0.548885 -0.286253 0.013889 0.260064 439 S 38 S -1.755513 2.245276 1.771184 0.462514 -0.731943 440 S 38 X -0.016887 -0.004745 0.012471 0.020394 -0.002383 441 S 38 Y 0.019142 -0.019602 -0.042993 -0.019142 0.000190 442 S 38 Z 0.000571 -0.002948 0.002329 -0.002521 0.002671 443 S 38 X -0.059743 -0.020039 0.053380 0.053975 -0.028100 444 S 38 Y 0.058352 -0.074708 -0.159336 -0.084752 0.008851 445 S 38 Z 0.003842 -0.001879 0.008671 0.002377 0.007911 446 S 38 X -0.546080 0.796425 0.068675 0.222925 -0.370254 447 S 38 Y 0.327807 -0.430138 -0.592191 -0.112832 0.033077 448 S 38 Z 0.017593 0.030800 -0.038300 -0.028575 -0.044680 449 S 38 XX -0.086579 0.090571 -0.011786 0.056856 -0.057521 450 S 38 YY 0.013302 0.014047 0.083040 -0.055667 -0.035788 451 S 38 ZZ 0.073277 -0.104617 -0.071253 -0.001189 0.093309 452 S 38 XY -0.072123 -0.000446 0.104409 -0.091748 -0.017572 453 S 38 XZ -0.005005 0.058430 0.040263 -0.002783 0.002361 454 S 38 YZ -0.024781 -0.030065 0.004260 -0.059901 0.019888 455 S 38 XX -0.009436 0.010582 -0.002650 0.004210 -0.009266 456 S 38 YY 0.002638 0.001308 0.005838 -0.004615 -0.003102 457 S 38 ZZ 0.006798 -0.011890 -0.003188 0.000405 0.012369 458 S 38 XY -0.012085 -0.001163 0.012793 -0.007473 -0.002190 459 S 38 XZ 0.000017 0.010073 0.007186 -0.000109 0.001393 460 S 38 YZ -0.003698 -0.006167 -0.000458 -0.010671 0.004160 461 H 39 S -0.086048 0.070839 -0.027576 0.240204 -0.025274 462 H 39 S -0.232734 0.075453 0.031007 0.445305 0.189437 463 H 39 X -0.012835 0.026869 -0.010036 0.071467 0.018217 464 H 39 Y -0.041166 0.008548 -0.009909 -0.033165 0.010085 465 H 39 Z -0.039038 -0.032608 -0.118562 -0.056228 0.018525 271 272 273 274 275 1.6475 1.6504 1.6554 1.6666 1.6735 A A A A A 1 C 1 S -0.108756 -0.023078 0.002983 -0.079547 0.114912 2 C 1 S -0.205230 -0.044371 0.007828 -0.139309 0.218077 3 C 1 S 1.587348 0.338227 0.113347 1.503172 -2.074628 4 C 1 X 0.008338 -0.003991 -0.005699 0.077780 0.021270 5 C 1 Y 0.034984 -0.000635 0.005893 0.104731 -0.006637 6 C 1 Z 0.002429 0.000269 0.015198 0.005398 -0.014842 7 C 1 X -0.264205 -0.064924 -0.128634 0.145269 0.756044 8 C 1 Y -0.978276 -0.097008 -0.308933 -2.767064 0.198644 9 C 1 Z -0.059669 -0.003189 -0.119566 -0.064395 -0.015630 10 C 1 XX -0.017622 -0.002658 -0.008934 -0.027058 -0.012049 11 C 1 YY -0.000907 0.000796 0.028476 0.162425 0.086895 12 C 1 ZZ 0.018529 0.001862 -0.019542 -0.135367 -0.074846 13 C 1 XY -0.060350 -0.021378 -0.007275 -0.034247 0.102398 14 C 1 XZ -0.000704 -0.011140 -0.052716 -0.025683 0.095971 15 C 1 YZ 0.052371 0.018540 0.002916 -0.002639 -0.180987 16 C 2 S 0.146510 0.022877 -0.007851 -0.031364 -0.178613 17 C 2 S 0.287674 0.047094 -0.020910 -0.059938 -0.353321 18 C 2 S -2.285129 -0.294850 -0.478987 -0.344175 2.658004 19 C 2 X 0.039964 -0.003883 -0.000339 -0.016858 0.030605 20 C 2 Y 0.063186 0.023991 -0.028655 -0.023532 -0.116888 21 C 2 Z -0.032120 -0.000137 -0.039259 0.008563 0.030806 22 C 2 X 0.229524 -0.123181 -0.109903 -0.229371 0.902154 23 C 2 Y -0.387911 -0.114269 -0.007836 0.844678 0.972435 24 C 2 Z 0.172080 -0.011195 0.079256 -0.118601 0.034235 25 C 2 XX -0.008069 0.005387 0.002778 0.051001 -0.037607 26 C 2 YY 0.039612 0.004049 0.021442 0.101902 0.035162 27 C 2 ZZ -0.031543 -0.009436 -0.024220 -0.152903 0.002445 28 C 2 XY 0.067505 0.011715 0.009922 0.055046 -0.020248 29 C 2 XZ 0.012271 0.004655 0.017730 -0.054165 -0.046835 30 C 2 YZ 0.064127 -0.009766 0.005001 -0.057209 0.070986 31 C 3 S -0.141122 -0.027771 -0.019538 -0.064313 0.153766 32 C 3 S -0.275186 -0.054691 -0.037489 -0.143629 0.306601 33 C 3 S 3.017000 0.217517 -0.068399 -1.543187 -2.046554 34 C 3 X 0.117401 0.002464 -0.019629 -0.183374 -0.005134 35 C 3 Y 0.245615 0.003154 0.053289 0.155969 0.000037 36 C 3 Z 0.071957 0.003310 -0.013028 -0.067480 -0.080379 37 C 3 X -2.237669 0.045473 0.612548 2.092009 -0.568259 38 C 3 Y -1.392060 -0.080726 -0.538020 -0.638219 0.776873 39 C 3 Z -0.698456 0.043859 -0.083857 0.185738 -0.027881 40 C 3 XX 0.001654 0.020656 -0.003712 0.054223 -0.026306 41 C 3 YY -0.023997 -0.020172 0.021823 0.042171 0.082721 42 C 3 ZZ 0.022343 -0.000485 -0.018111 -0.096394 -0.056415 43 C 3 XY -0.109474 -0.006387 0.007564 0.034199 0.052584 44 C 3 XZ 0.136410 -0.032553 -0.003282 -0.081468 0.193950 45 C 3 YZ -0.087233 0.003080 -0.023898 0.007982 0.039865 46 C 4 S -0.068935 0.010481 -0.018445 -0.103347 0.048361 47 C 4 S -0.131769 0.023041 -0.040253 -0.217893 0.076703 48 C 4 S 1.473958 0.056392 0.113083 -0.585730 -1.037466 49 C 4 X -0.240217 -0.025752 0.009483 0.076529 0.007809 50 C 4 Y -0.021823 0.027637 -0.042399 0.008011 -0.047663 51 C 4 Z 0.029947 -0.015532 0.004303 0.043642 0.042090 52 C 4 X 0.453715 0.129236 -0.149779 -0.348127 -0.213759 53 C 4 Y -0.618135 0.021682 0.576185 0.359777 -0.675536 54 C 4 Z -0.688180 0.025257 0.561072 1.451101 -0.089363 55 C 4 XX -0.070552 -0.017295 -0.005814 -0.034586 0.109916 56 C 4 YY 0.042817 0.015454 0.005381 0.053127 -0.065447 57 C 4 ZZ 0.027735 0.001841 0.000432 -0.018541 -0.044470 58 C 4 XY 0.050227 -0.004175 -0.015723 -0.011068 0.057456 59 C 4 XZ -0.111786 0.031663 -0.042971 -0.054974 -0.178038 60 C 4 YZ -0.078771 0.004031 0.002873 0.078088 -0.036501 61 S 5 S -0.004826 -0.000863 -0.018200 -0.036709 -0.018450 62 S 5 S -0.037110 -0.006202 -0.131236 -0.264050 -0.137334 63 S 5 S -0.053712 -0.006939 -0.169833 -0.341743 -0.201659 64 S 5 S -0.109232 -0.004585 0.589164 1.600997 0.202200 65 S 5 X 0.014285 -0.000327 -0.004462 -0.029678 0.022400 66 S 5 Y -0.015462 -0.001942 -0.004054 -0.010359 -0.011505 67 S 5 Z -0.000451 -0.000980 -0.010388 0.000450 0.000635 68 S 5 X 0.037500 -0.004753 -0.014585 -0.096368 0.097361 69 S 5 Y -0.064178 -0.007519 -0.019188 -0.028818 -0.039008 70 S 5 Z 0.004283 -0.006396 -0.038924 0.003877 0.018465 71 S 5 X 0.050175 0.004964 -0.228480 -0.540251 -0.165090 72 S 5 Y -0.344996 -0.020552 0.006588 -0.174568 0.246995 73 S 5 Z -0.063036 -0.014548 0.129479 0.000508 0.060505 74 S 5 XX 0.043990 0.006149 0.015669 -0.000076 0.004460 75 S 5 YY -0.026778 0.009233 -0.003439 0.026008 -0.052973 76 S 5 ZZ -0.017212 -0.015381 -0.012230 -0.025932 0.048513 77 S 5 XY 0.100863 0.000034 -0.009586 0.010404 -0.033547 78 S 5 XZ -0.002393 0.013564 -0.033178 0.021696 -0.077258 79 S 5 YZ 0.003140 -0.010914 -0.015502 0.019447 0.033798 80 S 5 XX 0.008568 0.000565 0.000743 -0.006771 0.002242 81 S 5 YY -0.003919 0.001995 -0.000568 0.006432 -0.009279 82 S 5 ZZ -0.004648 -0.002560 -0.000175 0.000339 0.007037 83 S 5 XY 0.008649 -0.000712 -0.001445 -0.001195 -0.002670 84 S 5 XZ -0.001452 0.002356 -0.005796 0.003041 -0.014476 85 S 5 YZ 0.002191 -0.001946 -0.002036 0.004981 0.006394 86 H 6 S 0.138083 -0.026612 0.009692 0.020662 0.103501 87 H 6 S 0.046454 -0.040619 -0.007490 0.210792 0.273515 88 H 6 X 0.076726 0.006023 0.030793 0.047251 -0.023325 89 H 6 Y -0.053749 0.008181 -0.018896 -0.031332 -0.053907 90 H 6 Z 0.019507 0.002964 0.004684 0.058825 -0.064067 91 C 7 S 0.002446 -0.011084 -0.033171 -0.058962 0.006192 92 C 7 S 0.012298 -0.017685 -0.064311 -0.112911 0.010283 93 C 7 S -0.577370 0.327153 0.489857 0.300164 -0.014264 94 C 7 X -0.094347 0.008345 -0.045397 -0.025598 -0.042325 95 C 7 Y 0.192705 -0.015094 0.006318 -0.073697 -0.061598 96 C 7 Z -0.040096 0.023728 0.008206 0.075692 -0.144214 97 C 7 X -0.422479 -0.069549 0.407447 1.072515 -0.001379 98 C 7 Y -1.397551 -0.245183 -0.174542 1.439663 2.039315 99 C 7 Z -0.004878 0.015435 0.038854 -0.177414 0.041314 100 C 7 XX -0.055516 0.022111 -0.003589 0.012859 -0.044424 101 C 7 YY 0.072494 -0.020120 0.001065 0.003521 0.095406 102 C 7 ZZ -0.016978 -0.001991 0.002524 -0.016379 -0.050982 103 C 7 XY -0.028126 -0.009820 0.019577 0.025046 -0.033363 104 C 7 XZ -0.068959 0.040374 0.002257 0.072560 -0.074657 105 C 7 YZ -0.164686 0.022736 -0.022267 0.058652 0.099731 106 C 8 S -0.001056 0.011936 0.045857 0.061928 -0.019430 107 C 8 S -0.011156 0.025951 0.094235 0.126791 -0.044272 108 C 8 S 0.379335 -0.151391 -0.675531 -1.134090 0.046248 109 C 8 X 0.001906 0.008377 -0.027884 -0.035286 0.042926 110 C 8 Y 0.007814 -0.013840 -0.022252 -0.033454 0.011918 111 C 8 Z -0.017029 -0.014567 -0.002435 0.012397 0.017694 112 C 8 X 0.939114 -0.141170 0.347151 0.270821 -0.705004 113 C 8 Y -0.753417 0.143250 1.108209 2.207638 0.020694 114 C 8 Z -0.011751 0.115435 0.128394 0.208677 0.054051 115 C 8 XX -0.032279 -0.000258 0.033913 0.064596 0.016028 116 C 8 YY 0.041070 -0.010456 -0.021837 -0.049459 -0.015816 117 C 8 ZZ -0.008791 0.010715 -0.012076 -0.015137 -0.000212 118 C 8 XY 0.087970 0.007893 0.047829 0.065369 -0.025070 119 C 8 XZ -0.001697 -0.026433 0.018617 -0.014246 0.071749 120 C 8 YZ -0.073832 0.052155 0.017848 0.028868 -0.085163 121 C 9 S -0.010031 0.010479 -0.044455 -0.102338 0.073192 122 C 9 S -0.036167 0.023648 -0.081192 -0.171152 0.128574 123 C 9 S -0.372150 0.014015 -0.398665 0.517146 -0.168128 124 C 9 X -0.016348 0.021202 0.016025 0.001662 -0.034687 125 C 9 Y 0.014444 -0.016946 0.023961 0.101104 0.080088 126 C 9 Z -0.090342 0.020318 -0.008432 0.063442 -0.054746 127 C 9 X -0.208276 0.076506 -0.043665 -0.254265 -0.613631 128 C 9 Y 0.730202 0.137634 -0.642190 -2.210924 -1.129680 129 C 9 Z 0.725969 -0.261928 -0.714698 -1.371392 1.897617 130 C 9 XX -0.124289 -0.020131 -0.026759 -0.022771 0.123325 131 C 9 YY 0.115091 0.002870 -0.002712 -0.018548 -0.056898 132 C 9 ZZ 0.009197 0.017261 0.029471 0.041319 -0.066427 133 C 9 XY -0.068699 0.007358 -0.039444 -0.038200 -0.023776 134 C 9 XZ -0.090118 0.002634 -0.003311 -0.022461 -0.052078 135 C 9 YZ 0.005976 0.005313 0.000166 -0.019154 -0.044438 136 C 10 S 0.035262 0.026166 -0.001827 -0.113647 -0.091302 137 C 10 S 0.070224 0.060040 -0.005151 -0.225258 -0.185935 138 C 10 S -2.340421 -0.230477 -0.024595 2.432227 1.815272 139 C 10 X -0.197551 -0.039865 0.006650 0.031945 0.180496 140 C 10 Y -0.032073 -0.034514 -0.008246 0.076966 0.136019 141 C 10 Z -0.062458 0.002519 -0.007650 -0.019917 0.023370 142 C 10 X 0.365156 -0.294232 -0.518776 0.196606 0.175106 143 C 10 Y 0.818168 0.015730 0.390396 -0.212860 -1.124531 144 C 10 Z -0.121064 0.122362 -0.020005 0.200545 -0.189420 145 C 10 XX 0.049124 -0.010750 0.020244 0.031546 0.059851 146 C 10 YY -0.022801 0.021097 -0.013638 -0.032682 -0.046518 147 C 10 ZZ -0.026323 -0.010347 -0.006606 0.001136 -0.013333 148 C 10 XY -0.064510 -0.014916 -0.022655 -0.032573 -0.013016 149 C 10 XZ -0.058399 -0.013748 -0.013687 -0.062272 -0.000021 150 C 10 YZ 0.230861 -0.040233 0.002583 -0.071171 0.200580 151 C 11 S 0.009642 0.001236 -0.044195 -0.085274 -0.065934 152 C 11 S -0.000159 -0.010017 -0.081901 -0.158394 -0.125023 153 C 11 S -0.974417 -0.197009 1.045487 1.689261 -0.391337 154 C 11 X 0.040464 -0.003942 0.000338 -0.081447 -0.051121 155 C 11 Y -0.094180 -0.022834 -0.000918 0.073833 -0.014782 156 C 11 Z 0.003417 -0.006818 -0.023550 -0.030714 0.041828 157 C 11 X -1.380764 0.346769 0.294671 0.902807 -0.196957 158 C 11 Y 2.443691 0.182322 0.112759 -1.312831 -0.875157 159 C 11 Z 0.752399 -0.102149 0.159269 -0.129956 0.263059 160 C 11 XX 0.032593 -0.024982 0.015997 0.075345 0.093802 161 C 11 YY -0.049413 0.006192 0.003213 0.006527 -0.046734 162 C 11 ZZ 0.016820 0.018790 -0.019210 -0.081871 -0.047068 163 C 11 XY 0.059044 -0.013237 0.028262 0.028774 0.081691 164 C 11 XZ -0.092451 0.012486 0.007750 0.053112 0.001662 165 C 11 YZ -0.048153 0.002211 -0.008747 -0.041784 -0.063447 166 C 12 S 0.063854 0.047876 0.035149 0.053514 -0.000578 167 C 12 S 0.095344 0.088798 0.061981 0.103878 -0.001795 168 C 12 S -0.084836 -0.389488 -0.463413 -0.191410 -0.201774 169 C 12 X -0.043789 -0.006677 -0.042404 -0.021912 -0.007040 170 C 12 Y 0.039938 -0.001010 0.008228 0.012597 0.036435 171 C 12 Z 0.038689 0.022055 -0.000511 0.020082 -0.029272 172 C 12 X 0.364588 -0.019562 -0.184864 -0.485474 -0.112567 173 C 12 Y 0.189845 0.104411 0.014147 -0.042609 0.131541 174 C 12 Z -0.048001 -0.012095 0.048058 -0.123700 0.102717 175 C 12 XX 0.034716 -0.025505 -0.001246 0.042617 0.116045 176 C 12 YY -0.095421 -0.004676 -0.004493 -0.027112 -0.027177 177 C 12 ZZ 0.060706 0.030181 0.005739 -0.015505 -0.088868 178 C 12 XY 0.054836 0.052890 -0.008636 -0.085735 -0.081738 179 C 12 XZ 0.094932 -0.008248 0.030393 -0.040848 -0.136985 180 C 12 YZ -0.053951 -0.010375 -0.012115 -0.031116 -0.035053 181 C 13 S -0.056384 -0.021656 0.013929 -0.015432 -0.065391 182 C 13 S -0.095029 -0.045230 0.028664 -0.023245 -0.107899 183 C 13 S 0.368581 0.112863 -0.055974 -0.011183 0.574581 184 C 13 X 0.121218 -0.016544 0.019627 0.042854 0.092909 185 C 13 Y -0.046183 0.008250 0.009529 0.068741 0.009047 186 C 13 Z -0.030747 0.020086 0.031189 0.061240 -0.068365 187 C 13 X -0.179165 0.011787 -0.026446 0.047214 0.140740 188 C 13 Y 0.194985 0.064006 0.004961 -0.417681 -0.066282 189 C 13 Z 0.346056 -0.017606 -0.047285 -0.161781 0.194971 190 C 13 XX -0.100546 0.005273 0.017106 0.053632 0.014501 191 C 13 YY 0.021033 0.008693 0.000183 -0.020032 -0.034878 192 C 13 ZZ 0.079513 -0.013966 -0.017289 -0.033600 0.020377 193 C 13 XY 0.090063 0.043916 0.004586 0.006750 -0.109427 194 C 13 XZ 0.156790 0.026760 0.025084 0.095490 -0.045587 195 C 13 YZ -0.036849 0.012827 0.009417 0.074502 -0.011540 196 C 14 S 0.017373 -0.041541 -0.006410 0.001839 0.132546 197 C 14 S 0.038875 -0.072415 -0.017718 -0.018226 0.230776 198 C 14 S 0.021847 0.482849 0.041942 -0.383942 -1.163577 199 C 14 X 0.044605 0.036730 -0.030783 -0.060997 -0.071310 200 C 14 Y -0.069512 0.015172 -0.013416 -0.070711 -0.067207 201 C 14 Z 0.069719 -0.020174 0.016975 -0.027008 0.033974 202 C 14 X 0.026777 0.127630 -0.009238 -0.004249 -0.188265 203 C 14 Y -0.164461 0.078809 0.003551 0.193705 -0.192479 204 C 14 Z -0.504892 0.059265 -0.080703 0.127637 -0.099044 205 C 14 XX 0.027416 0.007772 -0.010324 -0.049028 0.044274 206 C 14 YY -0.032241 0.031684 -0.022903 -0.050018 -0.114767 207 C 14 ZZ 0.004825 -0.039457 0.033226 0.099047 0.070493 208 C 14 XY 0.177941 0.045151 -0.011820 -0.081224 -0.069878 209 C 14 XZ -0.235180 0.028414 -0.021122 0.006440 -0.130755 210 C 14 YZ -0.014969 -0.019612 -0.019229 0.003006 0.089387 211 F 15 S -0.002530 0.006180 0.002346 0.004019 -0.019004 212 F 15 S -0.003802 0.016755 0.007720 0.013912 -0.047946 213 F 15 S 0.055344 0.015265 0.011770 0.026287 0.031325 214 F 15 X 0.173200 0.022067 0.024470 -0.058948 -0.133621 215 F 15 Y -0.041943 0.029975 -0.024772 -0.241341 -0.157730 216 F 15 Z -0.092073 -0.014355 -0.004129 -0.030205 -0.014438 217 F 15 X -0.245378 -0.038627 -0.031718 0.127404 0.257455 218 F 15 Y 0.060200 -0.042414 0.028915 0.302894 0.221947 219 F 15 Z 0.100872 0.020961 -0.011492 0.041453 0.017014 220 F 15 XX 0.001547 -0.001766 0.002710 0.000359 -0.004116 221 F 15 YY -0.003374 -0.001307 -0.002873 -0.006783 0.000988 222 F 15 ZZ 0.001828 0.003074 0.000163 0.006424 0.003128 223 F 15 XY 0.002322 0.000708 -0.001417 -0.005056 -0.002565 224 F 15 XZ -0.010272 -0.003204 -0.002549 0.005460 0.020592 225 F 15 YZ 0.008862 0.000221 0.001227 0.007241 0.010777 226 F 16 S 0.009180 -0.000354 0.000997 0.011995 0.007036 227 F 16 S 0.020003 0.001495 0.002469 0.028636 0.018744 228 F 16 S -0.043761 0.018837 0.015209 -0.039786 0.000082 229 F 16 X -0.033027 0.039117 -0.035251 -0.191896 -0.134357 230 F 16 Y -0.010832 -0.013068 -0.028250 -0.025251 0.023837 231 F 16 Z 0.064787 -0.048523 0.021031 0.107707 0.155489 232 F 16 X 0.008679 -0.063173 0.052814 0.313232 0.220612 233 F 16 Y 0.025371 -0.004757 0.043249 0.060736 -0.041266 234 F 16 Z -0.050098 0.080324 -0.026388 -0.151877 -0.231490 235 F 16 XX -0.000648 0.002509 -0.001403 -0.008484 -0.005157 236 F 16 YY 0.008241 0.001095 0.002658 0.003016 -0.001736 237 F 16 ZZ -0.007593 -0.003604 -0.001256 0.005467 0.006893 238 F 16 XY 0.001261 -0.004014 0.000168 0.005158 0.005842 239 F 16 XZ 0.001794 0.003241 -0.001352 -0.008848 -0.008066 240 F 16 YZ 0.001927 0.002949 -0.002527 -0.009201 -0.012230 241 F 17 S 0.010609 -0.003658 -0.003273 -0.005318 0.017132 242 F 17 S 0.023806 -0.010141 -0.007732 -0.009049 0.045765 243 F 17 S -0.105444 -0.003988 0.001463 0.091871 0.008599 244 F 17 X -0.279769 0.020300 -0.032410 0.138447 -0.058689 245 F 17 Y -0.024531 0.024587 0.066403 0.223119 -0.045364 246 F 17 Z -0.096074 -0.012953 -0.060056 -0.252568 0.099762 247 F 17 X 0.395680 -0.015075 0.042959 -0.212861 0.043318 248 F 17 Y 0.026585 -0.030871 -0.084564 -0.309361 0.061174 249 F 17 Z 0.135295 -0.001559 0.096537 0.374352 -0.091495 250 F 17 XX -0.004419 -0.001362 0.000654 0.006951 0.001170 251 F 17 YY 0.001215 -0.001091 0.004055 0.016249 0.002889 252 F 17 ZZ 0.003204 0.002453 -0.004708 -0.023200 -0.004060 253 F 17 XY -0.002473 -0.003501 0.000593 0.004563 0.008459 254 F 17 XZ -0.010885 -0.001690 -0.000076 0.008381 0.003802 255 F 17 YZ -0.002439 -0.000195 -0.001618 0.000732 0.006342 256 F 18 S -0.006715 -0.000384 0.003255 0.003049 -0.004968 257 F 18 S -0.017303 -0.002178 0.007108 0.004814 -0.007820 258 F 18 S 0.082516 -0.031639 -0.001304 -0.006545 0.102301 259 F 18 X 0.080548 -0.027561 0.056306 0.108732 0.018448 260 F 18 Y 0.131621 -0.059229 -0.069850 -0.309834 0.195466 261 F 18 Z -0.026833 -0.006838 -0.003615 -0.076111 0.023480 262 F 18 X -0.024297 0.034654 -0.078885 -0.165982 0.013305 263 F 18 Y -0.188299 0.086793 0.081499 0.351145 -0.287900 264 F 18 Z 0.130447 0.011577 0.027526 0.097866 -0.045281 265 F 18 XX -0.018079 -0.000210 0.000123 0.003794 -0.001348 266 F 18 YY 0.001298 -0.000703 -0.002163 -0.004049 0.003617 267 F 18 ZZ 0.016781 0.000913 0.002040 0.000255 -0.002269 268 F 18 XY 0.000972 -0.002225 0.001923 0.000336 -0.000323 269 F 18 XZ 0.014780 0.000946 -0.001130 -0.005505 0.006837 270 F 18 YZ -0.006315 0.006349 0.001287 0.005233 -0.023341 271 C 19 S -0.006100 -0.005069 0.050922 0.100937 -0.031267 272 C 19 S -0.020277 -0.010658 0.088604 0.179081 -0.058184 273 C 19 S 0.008218 0.012771 -0.822298 -1.517836 0.359841 274 C 19 X 0.006856 0.002720 0.014303 0.018248 -0.008079 275 C 19 Y 0.034971 0.002930 0.043959 0.065967 -0.014312 276 C 19 Z 0.014402 0.005016 0.004518 0.002395 -0.016394 277 C 19 X -0.378429 0.056152 0.233752 0.581028 0.171725 278 C 19 Y 0.163408 -0.022262 0.191268 0.304540 -0.200880 279 C 19 Z 0.002693 -0.080239 0.031178 0.089966 -0.039396 280 C 19 XX 0.002655 -0.001270 -0.010575 -0.032601 -0.037362 281 C 19 YY -0.074828 0.010412 0.019447 0.062209 0.075526 282 C 19 ZZ 0.072173 -0.009142 -0.008872 -0.029607 -0.038164 283 C 19 XY 0.093856 -0.008502 -0.015841 -0.061995 -0.051969 284 C 19 XZ 0.010354 0.018529 -0.002697 -0.017210 0.017723 285 C 19 YZ -0.001883 0.015345 -0.002505 0.015660 -0.032463 286 H 20 S 0.126955 -0.015597 0.041086 0.046092 -0.073474 287 H 20 S 0.086782 -0.024066 -0.035674 -0.113104 -0.068134 288 H 20 X 0.043299 -0.030208 0.004387 -0.008951 -0.014862 289 H 20 Y 0.106737 -0.078633 0.003510 -0.047052 -0.053043 290 H 20 Z 0.027682 0.586986 -0.048077 -0.014352 0.120598 291 H 21 S -0.012583 -0.010276 0.047313 0.113346 -0.044052 292 H 21 S -0.048885 -0.016542 0.019179 0.054790 0.021215 293 H 21 X 0.030054 0.419238 -0.047242 -0.025657 0.095754 294 H 21 Y 0.008198 -0.249861 -0.003715 -0.003163 0.001619 295 H 21 Z -0.012719 -0.307972 0.013099 0.016780 0.005105 296 C 22 S 0.208548 0.030409 0.007695 0.250570 -0.156936 297 C 22 S 0.390434 0.056181 0.009463 0.448654 -0.298796 298 C 22 S -1.823068 -0.260746 -0.222522 -3.154243 1.072908 299 C 22 X 0.017849 0.003321 0.014685 0.092356 0.007511 300 C 22 Y -0.028619 -0.010330 -0.026234 -0.144819 0.006247 301 C 22 Z 0.014086 0.001215 -0.007682 -0.020780 -0.024250 302 C 22 X 0.516728 0.075254 0.105393 0.781367 -0.433362 303 C 22 Y -0.447463 -0.053529 -0.022864 -0.797265 0.192750 304 C 22 Z -0.055188 0.002323 0.080200 -0.121785 -0.006936 305 C 22 XX -0.069874 -0.011586 -0.019873 -0.066040 0.087647 306 C 22 YY -0.025294 -0.000560 0.007588 -0.021442 0.000163 307 C 22 ZZ 0.095168 0.012146 0.012285 0.087482 -0.087810 308 C 22 XY 0.036408 0.004900 0.009682 0.089111 -0.030212 309 C 22 XZ 0.018728 0.005964 0.005976 -0.015296 -0.054719 310 C 22 YZ -0.001025 0.000230 0.018575 -0.018631 0.011197 311 H 23 S 0.222897 0.033999 0.028646 0.273255 -0.178453 312 H 23 S 0.104108 0.021361 0.026009 0.159247 -0.117319 313 H 23 X 0.026488 0.000540 -0.004533 0.068735 0.013427 314 H 23 Y -0.020048 0.001043 0.016583 -0.062823 -0.014586 315 H 23 Z 0.032194 -0.037268 -0.588751 0.126436 -0.046247 316 H 24 S 0.108295 0.013486 -0.011169 0.210579 -0.027022 317 H 24 S 0.032443 0.003563 -0.030736 0.016123 -0.018204 318 H 24 X 0.006991 -0.035768 -0.435868 0.054197 0.060019 319 H 24 Y 0.064156 -0.003313 -0.214407 0.115717 -0.117433 320 H 24 Z -0.014856 0.024995 0.294628 -0.026417 -0.046031 321 H 25 S 0.135870 0.026536 0.022552 0.156263 -0.129510 322 H 25 S -0.015277 0.001576 0.023396 0.013098 0.025994 323 H 25 X -0.049298 0.033048 0.448194 -0.132756 -0.024678 324 H 25 Y 0.007344 0.004242 0.201298 0.035021 0.136449 325 H 25 Z -0.022108 0.020757 0.276881 -0.064830 -0.021954 326 C 26 S 0.021138 0.007231 0.055953 0.170030 -0.114590 327 C 26 S 0.047723 0.008734 0.096674 0.309225 -0.190937 328 C 26 S 0.412928 -0.176448 -0.752256 -1.946015 1.670488 329 C 26 X 0.013908 -0.005834 0.010106 0.003503 0.036741 330 C 26 Y 0.000283 -0.010185 -0.005531 0.012500 0.057838 331 C 26 Z 0.072302 -0.020288 -0.056115 -0.087231 0.133856 332 C 26 X 0.038383 0.011267 -0.007583 -0.002812 -0.070143 333 C 26 Y 0.036368 -0.074292 -0.006600 0.165959 0.534570 334 C 26 Z 0.281330 -0.075840 -0.221981 -0.725935 0.584005 335 C 26 XX -0.026436 0.008595 0.017323 -0.006857 -0.080934 336 C 26 YY -0.012056 -0.012894 0.013257 0.075901 0.061443 337 C 26 ZZ 0.038492 0.004299 -0.030579 -0.069043 0.019491 338 C 26 XY -0.026682 0.004949 -0.009459 -0.008466 -0.035162 339 C 26 XZ 0.008090 0.003357 -0.003394 -0.010301 -0.029216 340 C 26 YZ -0.019526 -0.004539 -0.000917 0.021524 0.067471 341 H 27 S 0.055469 0.002893 0.051342 0.170895 -0.043702 342 H 27 S 0.028839 -0.021829 0.033665 0.096841 0.064357 343 H 27 X 0.032580 -0.008492 0.011016 0.040192 0.094416 344 H 27 Y -0.015568 0.000632 -0.025212 -0.091945 -0.170136 345 H 27 Z -0.023338 0.022491 0.032320 0.072648 -0.008949 346 H 28 S 0.000416 0.025723 0.045503 0.069062 -0.187455 347 H 28 S 0.018036 0.013722 0.027122 -0.004353 -0.160106 348 H 28 X -0.035807 -0.001173 -0.029550 -0.109639 -0.218594 349 H 28 Y 0.008824 -0.006115 -0.015669 -0.036009 -0.047568 350 H 28 Z -0.016718 -0.012896 -0.000257 0.044912 0.020908 351 H 29 S 0.024414 0.001386 0.034630 0.168658 -0.031952 352 H 29 S 0.013780 -0.018425 0.049353 0.031112 0.028695 353 H 29 X 0.002960 0.000093 0.001417 -0.004352 -0.010687 354 H 29 Y 0.073239 -0.005197 0.016515 0.030271 0.101746 355 H 29 Z -0.090424 0.009311 0.002468 -0.016379 -0.146337 356 C 30 S -0.010680 -0.011026 0.102406 0.085033 0.077412 357 C 30 S -0.015273 -0.021834 0.198676 0.153532 0.164775 358 C 30 S 0.348856 0.028989 -0.831806 -1.171228 -0.027239 359 C 30 X -0.045183 -0.012648 0.012448 0.023397 0.042806 360 C 30 Y 0.007932 0.007334 -0.004653 -0.001042 -0.057047 361 C 30 Z -0.027874 0.011453 -0.018291 0.041126 -0.126005 362 C 30 X -0.273549 -0.009692 0.009761 0.193597 -0.063342 363 C 30 Y -0.257628 0.054668 -0.035770 0.344725 0.041956 364 C 30 Z -0.077592 -0.018649 0.272872 0.432641 -0.024966 365 C 30 XX -0.087162 0.010296 -0.010639 0.049969 -0.010227 366 C 30 YY 0.072339 -0.012179 0.016186 -0.042553 -0.005913 367 C 30 ZZ 0.014823 0.001883 -0.005547 -0.007416 0.016141 368 C 30 XY -0.047890 -0.004018 -0.002501 0.032143 0.011831 369 C 30 XZ 0.014536 0.001405 0.002939 -0.002591 -0.045866 370 C 30 YZ 0.015927 0.008791 0.002755 -0.070882 -0.058631 371 H 31 S -0.102408 0.021125 0.063285 0.108940 0.010004 372 H 31 S -0.047109 0.014957 -0.009044 0.091263 0.009388 373 H 31 X 0.039750 -0.025230 -0.034331 -0.138782 -0.009635 374 H 31 Y 0.031874 0.002172 -0.000222 0.004810 0.009697 375 H 31 Z 0.040726 0.010849 -0.008639 -0.008508 0.002964 376 H 32 S -0.024166 -0.030590 0.095056 0.141175 0.095072 377 H 32 S -0.078559 -0.002451 0.026062 -0.054099 -0.131624 378 H 32 X 0.028340 0.002400 0.014169 -0.001492 0.012353 379 H 32 Y 0.038481 0.022139 0.021102 0.062815 -0.033284 380 H 32 Z 0.005027 -0.027832 0.023073 -0.026144 0.083304 381 H 33 S 0.136165 -0.011889 0.096759 -0.019371 0.034840 382 H 33 S 0.096989 -0.017370 0.019656 -0.083915 0.130214 383 H 33 X 0.021779 0.008820 0.003173 0.045663 0.007704 384 H 33 Y 0.023057 -0.015323 -0.017738 -0.104076 -0.017661 385 H 33 Z -0.027518 0.015099 -0.005594 -0.026231 -0.029673 386 H 34 S -0.038333 0.016850 0.055033 0.098069 0.031303 387 H 34 S -0.041093 0.028919 0.017724 0.034898 0.002426 388 H 34 X -0.043023 -0.391204 0.030146 0.005880 -0.103911 389 H 34 Y -0.054595 0.324910 -0.018568 -0.020306 0.024100 390 H 34 Z 0.014945 -0.283873 0.015316 0.001523 -0.029169 391 F 35 S -0.024085 0.001148 -0.001930 -0.010008 -0.013833 392 F 35 S -0.057662 0.002632 -0.004110 -0.024343 -0.038797 393 F 35 S 0.001444 -0.006478 0.008269 0.030445 -0.028320 394 F 35 X 0.029391 0.011100 -0.017161 0.003519 -0.095558 395 F 35 Y 0.014692 -0.006377 -0.018550 -0.231293 0.020668 396 F 35 Z 0.206348 0.007977 0.004640 0.018459 -0.047551 397 F 35 X 0.047150 -0.013153 0.031878 0.013814 0.097279 398 F 35 Y 0.018159 0.017379 0.020758 0.326897 -0.062707 399 F 35 Z -0.299824 0.003927 0.009113 0.012130 0.026688 400 F 35 XX -0.005725 0.000007 -0.002329 -0.006498 -0.010724 401 F 35 YY 0.005712 -0.000881 0.000987 0.003083 0.007378 402 F 35 ZZ 0.000013 0.000874 0.001342 0.003414 0.003346 403 F 35 XY -0.013298 -0.004220 -0.000707 -0.004327 0.009545 404 F 35 XZ 0.010405 -0.002097 -0.001931 -0.003798 0.008306 405 F 35 YZ 0.007095 0.000259 0.000235 0.002405 -0.002620 406 F 36 S -0.003048 -0.004302 -0.003959 -0.003838 0.015880 407 F 36 S -0.011873 -0.011025 -0.009201 -0.010608 0.035881 408 F 36 S 0.018843 -0.003790 0.008555 -0.020772 -0.054621 409 F 36 X -0.300008 -0.045451 -0.018518 -0.119614 0.093460 410 F 36 Y 0.072823 -0.018655 0.012175 0.024926 0.041699 411 F 36 Z 0.002900 -0.003462 0.012572 0.016505 -0.044389 412 F 36 X 0.437559 0.064058 0.034957 0.185042 -0.140343 413 F 36 Y -0.084439 0.022675 -0.007640 0.031853 -0.048621 414 F 36 Z -0.072654 0.013950 0.002610 0.009539 0.003798 415 F 36 XX -0.000168 0.001714 0.002017 0.003857 0.000493 416 F 36 YY -0.002292 0.001502 -0.000427 0.000776 -0.004867 417 F 36 ZZ 0.002459 -0.003216 -0.001590 -0.004633 0.004374 418 F 36 XY 0.002924 0.000136 0.000111 0.002904 -0.001233 419 F 36 XZ -0.021122 -0.003115 -0.002625 -0.010926 0.006250 420 F 36 YZ -0.000091 -0.001067 -0.001341 -0.008128 0.001085 421 C 37 S 0.070693 -0.008406 -0.080287 -0.153990 0.038332 422 C 37 S 0.150022 -0.018057 -0.154697 -0.293635 0.096517 423 C 37 S -1.270236 0.158073 1.552480 3.328362 0.687740 424 C 37 X -0.018342 0.007959 0.008666 0.008104 -0.064746 425 C 37 Y -0.053520 -0.006018 -0.000979 0.021369 0.002247 426 C 37 Z -0.038148 0.049740 0.004158 0.039479 -0.076853 427 C 37 X 0.228560 0.002010 -0.821649 -1.526519 0.103336 428 C 37 Y -0.573145 0.141286 0.327160 0.682367 0.044079 429 C 37 Z -0.166204 0.013767 0.084055 0.102792 -0.503249 430 C 37 XX 0.095556 -0.008703 0.021258 -0.000838 -0.020860 431 C 37 YY -0.069283 0.001545 -0.032988 -0.059159 -0.012812 432 C 37 ZZ -0.026273 0.007158 0.011731 0.059997 0.033673 433 C 37 XY -0.025971 -0.011714 -0.038358 -0.078596 0.014523 434 C 37 XZ 0.045192 -0.016146 -0.024735 -0.007196 0.197041 435 C 37 YZ 0.046911 -0.038882 -0.031224 -0.036129 0.098307 436 S 38 S -0.039441 0.003777 -0.001790 0.015802 0.028927 437 S 38 S -0.278946 0.028067 -0.012096 0.110224 0.198761 438 S 38 S -0.332230 0.039764 -0.012786 0.123475 0.209755 439 S 38 S 1.723387 -0.028292 0.205632 -0.821814 -1.711675 440 S 38 X 0.004523 0.001163 0.007164 0.007652 -0.012022 441 S 38 Y -0.028585 -0.007336 -0.005304 0.026855 0.056788 442 S 38 Z 0.000603 0.005530 -0.001263 -0.004715 -0.000266 443 S 38 X 0.040448 0.004749 0.019549 0.009441 -0.046251 444 S 38 Y -0.091289 -0.029829 -0.021499 0.093968 0.221526 445 S 38 Z 0.014617 0.020276 -0.004836 -0.026498 -0.007327 446 S 38 X 0.491531 -0.057188 0.056515 -0.037317 -0.158361 447 S 38 Y -0.394958 -0.024510 -0.080442 0.238235 0.558734 448 S 38 Z 0.027637 -0.069734 -0.004084 0.042770 -0.033529 449 S 38 XX 0.092354 -0.017374 0.020392 0.051359 0.021347 450 S 38 YY -0.011700 0.016964 -0.024101 -0.100817 -0.123786 451 S 38 ZZ -0.080654 0.000410 0.003709 0.049458 0.102439 452 S 38 XY 0.003650 -0.003855 -0.022210 -0.060838 -0.076546 453 S 38 XZ 0.016968 -0.031417 0.002408 -0.028273 -0.022859 454 S 38 YZ -0.064250 0.007940 -0.005560 -0.003881 0.063458 455 S 38 XX 0.012456 -0.002186 0.001175 0.003839 0.002003 456 S 38 YY -0.005085 0.001571 -0.002665 -0.008895 -0.009785 457 S 38 ZZ -0.007371 0.000614 0.001489 0.005055 0.007783 458 S 38 XY -0.000111 -0.000298 -0.001607 -0.005580 -0.012060 459 S 38 XZ 0.003066 -0.005594 0.000686 -0.004942 -0.004349 460 S 38 YZ -0.011358 0.001001 -0.000971 0.000046 0.011821 461 H 39 S -0.112074 -0.007431 0.037977 0.058645 -0.015840 462 H 39 S 0.041061 0.006884 0.203258 0.388063 -0.102440 463 H 39 X -0.061194 -0.001235 0.016828 0.046578 0.015947 464 H 39 Y 0.001857 0.001847 -0.006954 -0.034711 -0.021177 465 H 39 Z 0.006563 -0.034808 -0.021213 -0.027765 0.223080 276 277 278 279 280 1.6765 1.6830 1.6858 1.6944 1.6975 A A A A A 1 C 1 S 0.037190 -0.077292 -0.070664 0.053018 -0.034721 2 C 1 S 0.090150 -0.152283 -0.131374 0.114319 -0.056775 3 C 1 S -0.506536 0.834965 1.458396 -0.702778 0.103915 4 C 1 X -0.015173 -0.016343 0.103897 0.032326 -0.026638 5 C 1 Y 0.042112 -0.016819 0.081440 0.062569 0.016922 6 C 1 Z 0.001368 0.001271 -0.003920 0.011563 -0.003433 7 C 1 X 1.415416 0.315354 -0.627088 0.570654 0.646058 8 C 1 Y -0.787150 -0.006967 -2.073414 -0.669407 -0.481817 9 C 1 Z -0.148107 -0.039043 0.008913 -0.067795 -0.029840 10 C 1 XX 0.036224 -0.051140 0.044004 -0.039413 -0.064942 11 C 1 YY 0.008317 0.055765 0.068010 0.026114 0.078806 12 C 1 ZZ -0.044541 -0.004625 -0.112014 0.013299 -0.013864 13 C 1 XY 0.088490 -0.071725 -0.017070 -0.030953 -0.016055 14 C 1 XZ 0.036267 -0.062280 -0.051207 -0.053717 0.000596 15 C 1 YZ 0.044705 -0.033786 -0.010488 0.061066 0.097448 16 C 2 S -0.154269 0.037596 0.002306 -0.072495 -0.061414 17 C 2 S -0.319472 0.084491 0.001850 -0.113368 -0.122937 18 C 2 S 0.713925 0.045981 -1.023921 2.484861 0.767202 19 C 2 X 0.017922 0.021545 -0.004462 -0.043898 0.041467 20 C 2 Y -0.126105 0.053560 -0.001538 0.095450 -0.049907 21 C 2 Z 0.003201 -0.040176 -0.002863 -0.037583 -0.010878 22 C 2 X 1.133258 -0.293545 -0.602819 0.335503 0.508255 23 C 2 Y 0.279103 -0.307994 0.622235 0.830800 0.347919 24 C 2 Z -0.010026 -0.113461 -0.003628 -0.128158 -0.002582 25 C 2 XX 0.006056 0.016479 0.044321 0.032444 0.026555 26 C 2 YY -0.007836 0.058865 0.058984 -0.034520 0.019776 27 C 2 ZZ 0.001780 -0.075344 -0.103306 0.002077 -0.046332 28 C 2 XY -0.029011 0.053938 0.012268 0.020467 0.074674 29 C 2 XZ 0.027979 0.019300 -0.045981 0.045176 0.027741 30 C 2 YZ -0.009598 -0.082308 -0.005572 -0.120776 -0.027649 31 C 3 S 0.124369 -0.023962 0.033862 0.021661 -0.162231 32 C 3 S 0.229309 -0.059773 0.078800 0.058514 -0.329850 33 C 3 S -3.725778 -0.570630 -0.703465 0.236356 2.655344 34 C 3 X 0.004120 0.029605 -0.160962 -0.140058 0.002364 35 C 3 Y 0.057764 -0.038394 0.174073 -0.049308 0.033009 36 C 3 Z 0.083855 0.073149 -0.012827 0.063942 0.040084 37 C 3 X 0.357085 0.218432 1.185288 0.251658 -1.181044 38 C 3 Y -2.697397 0.059472 -0.527460 2.285652 0.740079 39 C 3 Z -0.152444 -0.039464 -0.291388 0.359993 -0.048993 40 C 3 XX 0.008658 -0.004220 0.006941 0.039829 0.123794 41 C 3 YY 0.108811 -0.028421 0.046267 -0.052126 0.004526 42 C 3 ZZ -0.117470 0.032642 -0.053208 0.012297 -0.128320 43 C 3 XY 0.150504 -0.046020 0.033825 0.040517 -0.065884 44 C 3 XZ -0.010603 0.119823 -0.009870 0.151549 -0.026865 45 C 3 YZ 0.038892 -0.112062 -0.070632 -0.023042 0.019649 46 C 4 S -0.106242 -0.104645 -0.064520 -0.038974 -0.086779 47 C 4 S -0.205754 -0.202169 -0.146641 -0.110870 -0.162345 48 C 4 S 1.992939 0.107409 -0.267595 -1.029839 0.435778 49 C 4 X -0.062953 -0.099883 0.024591 0.025367 0.028594 50 C 4 Y -0.027309 0.028989 0.053467 -0.118644 -0.062379 51 C 4 Z 0.045213 0.045807 0.046493 0.087879 0.036516 52 C 4 X -0.539523 0.742732 -0.169085 0.941481 -0.180640 53 C 4 Y -0.057565 -0.703985 -0.048748 0.459884 0.635204 54 C 4 Z -1.010934 0.197783 1.164689 -0.235607 0.215104 55 C 4 XX 0.052650 -0.046381 -0.083892 -0.252106 0.062924 56 C 4 YY 0.016683 0.008081 0.079699 0.257160 0.016351 57 C 4 ZZ -0.069333 0.038300 0.004193 -0.005054 -0.079276 58 C 4 XY 0.015379 0.018935 -0.023927 0.130839 0.021625 59 C 4 XZ 0.176182 0.107549 -0.141104 -0.076236 0.166284 60 C 4 YZ 0.026953 -0.076226 0.007108 0.181172 0.067739 61 S 5 S 0.026625 0.018301 -0.045767 0.002128 -0.001524 62 S 5 S 0.190298 0.128997 -0.330809 0.018932 -0.009841 63 S 5 S 0.235404 0.155815 -0.430868 0.043223 -0.008250 64 S 5 S -0.598134 -0.839704 1.540698 0.073047 0.205744 65 S 5 X -0.008841 0.011950 -0.006464 -0.018166 -0.022400 66 S 5 Y 0.002990 -0.004532 -0.014895 -0.013509 -0.002561 67 S 5 Z 0.008035 -0.019703 -0.007407 0.004636 0.011338 68 S 5 X -0.028733 0.036932 -0.014644 -0.075022 -0.091110 69 S 5 Y 0.044862 -0.011052 -0.044227 -0.035752 -0.013002 70 S 5 Z 0.021447 -0.079825 -0.024833 0.032287 0.036470 71 S 5 X 0.235700 0.312706 -0.492364 -0.078664 -0.116476 72 S 5 Y 0.188866 0.020573 -0.286185 -0.087157 0.166603 73 S 5 Z -0.036150 0.008462 0.018863 -0.003296 -0.062834 74 S 5 XX -0.008421 -0.012784 -0.026547 -0.001260 0.079323 75 S 5 YY -0.053799 -0.013342 0.079812 -0.042206 -0.066809 76 S 5 ZZ 0.062220 0.026126 -0.053265 0.043466 -0.012514 77 S 5 XY -0.014226 -0.004575 0.023824 -0.002424 -0.027021 78 S 5 XZ 0.032752 0.033484 0.012744 -0.067196 0.031598 79 S 5 YZ -0.022375 -0.043966 0.023467 0.017999 -0.018818 80 S 5 XX -0.000920 -0.001830 -0.007017 -0.005808 0.007650 81 S 5 YY -0.004456 -0.000715 0.012411 -0.006467 -0.006625 82 S 5 ZZ 0.005376 0.002544 -0.005394 0.012275 -0.001025 83 S 5 XY -0.004304 -0.002867 -0.000128 -0.004761 -0.003980 84 S 5 XZ 0.006633 0.003901 0.000424 -0.010890 0.007347 85 S 5 YZ -0.005294 -0.005579 0.006599 0.003352 -0.005287 86 H 6 S 0.222860 -0.179530 0.008418 0.002942 0.044080 87 H 6 S 0.199060 -0.136488 0.111329 0.115507 0.162848 88 H 6 X -0.007083 0.030365 -0.025943 -0.023008 0.098982 89 H 6 Y -0.092910 0.033298 0.008233 -0.018571 -0.075467 90 H 6 Z -0.003005 0.146903 0.063243 0.130782 0.011023 91 C 7 S 0.042693 -0.091933 -0.065311 0.083093 0.113465 92 C 7 S 0.102245 -0.175675 -0.119851 0.153772 0.213388 93 C 7 S -0.850803 2.294082 -0.449862 -4.043878 -3.763320 94 C 7 X -0.075276 0.103184 -0.119866 -0.001231 0.078425 95 C 7 Y -0.212637 0.017787 -0.035362 -0.007286 -0.006373 96 C 7 Z 0.052885 -0.001656 0.052814 -0.040340 0.022077 97 C 7 X 0.084241 -1.509497 1.419590 1.671307 1.758393 98 C 7 Y 1.619120 -0.812725 0.791150 2.712421 2.637318 99 C 7 Z 0.228550 0.164002 -0.015940 0.094674 0.024284 100 C 7 XX 0.123032 -0.054114 0.044663 -0.117267 -0.052295 101 C 7 YY 0.018908 0.048497 0.013097 0.098367 0.079749 102 C 7 ZZ -0.141940 0.005618 -0.057760 0.018900 -0.027454 103 C 7 XY -0.047031 -0.004885 -0.016908 -0.030610 -0.061052 104 C 7 XZ -0.204560 -0.096434 -0.032529 0.004798 0.026564 105 C 7 YZ 0.033306 -0.254365 -0.001656 -0.055448 0.025275 106 C 8 S -0.155194 0.036674 0.011950 -0.117794 0.088362 107 C 8 S -0.271566 0.055752 0.036599 -0.205756 0.184672 108 C 8 S 2.643510 -1.081278 -0.155138 1.948675 -0.953065 109 C 8 X 0.014541 0.105537 -0.043310 -0.003070 -0.006003 110 C 8 Y -0.061669 0.013899 -0.051738 -0.040913 -0.034399 111 C 8 Z -0.022210 0.015234 -0.005768 -0.022744 0.001965 112 C 8 X -0.079725 -1.951965 0.826329 0.238179 -0.323128 113 C 8 Y 1.256626 -1.625138 2.338951 1.124787 1.495964 114 C 8 Z 0.102011 -0.286041 0.261456 0.306304 0.084816 115 C 8 XX -0.019091 -0.047552 0.031051 0.096468 0.104624 116 C 8 YY 0.095220 -0.023265 0.010796 0.050769 -0.083189 117 C 8 ZZ -0.076129 0.070817 -0.041848 -0.147237 -0.021435 118 C 8 XY 0.064189 -0.090591 0.104727 0.076067 -0.006595 119 C 8 XZ 0.001089 0.124603 0.016059 0.002246 -0.024836 120 C 8 YZ -0.101637 -0.087499 0.066421 -0.200197 0.032045 121 C 9 S -0.091169 0.025998 -0.097077 -0.204382 -0.099167 122 C 9 S -0.189097 0.041882 -0.176777 -0.407811 -0.169840 123 C 9 S 0.653254 0.488675 0.290996 1.218978 0.692990 124 C 9 X 0.129562 0.096474 0.103239 -0.022813 -0.049909 125 C 9 Y -0.190381 0.219568 0.028886 -0.115479 -0.001006 126 C 9 Z -0.033802 -0.070445 0.002315 -0.094020 0.043986 127 C 9 X -0.703725 -0.458518 -0.288697 -1.256794 -0.357309 128 C 9 Y 1.624629 -0.576608 -1.498059 0.123081 -0.477821 129 C 9 Z 0.417684 0.888663 -0.964076 0.110974 -1.369952 130 C 9 XX -0.016655 -0.007056 -0.098234 -0.055358 0.072936 131 C 9 YY 0.108639 0.046763 0.055596 -0.012962 -0.084658 132 C 9 ZZ -0.091985 -0.039707 0.042639 0.068320 0.011722 133 C 9 XY -0.083611 0.034728 -0.118195 0.073652 0.096333 134 C 9 XZ 0.049750 0.088908 0.003426 0.015140 -0.040378 135 C 9 YZ 0.076263 -0.051178 -0.024552 -0.062877 -0.051112 136 C 10 S -0.149830 0.120780 -0.029746 -0.232746 -0.155445 137 C 10 S -0.303160 0.259386 -0.077663 -0.471439 -0.284311 138 C 10 S 0.604334 -1.592767 0.224527 4.417031 3.797966 139 C 10 X -0.114508 0.055129 -0.067540 -0.018437 -0.010283 140 C 10 Y -0.040642 -0.036421 -0.012845 0.017962 -0.036167 141 C 10 Z 0.020327 -0.078267 0.097720 -0.032268 0.059675 142 C 10 X -0.616291 -2.314836 1.180458 2.885947 3.882965 143 C 10 Y 0.494493 -0.781931 0.783150 1.077382 0.711600 144 C 10 Z -0.440853 0.055154 -0.498264 -0.770042 -0.798908 145 C 10 XX 0.051925 0.089441 0.009965 0.071280 0.057897 146 C 10 YY 0.019361 0.026125 0.027160 -0.022239 -0.053244 147 C 10 ZZ -0.071286 -0.115566 -0.037125 -0.049041 -0.004653 148 C 10 XY 0.049562 -0.067599 -0.046593 -0.004299 0.034605 149 C 10 XZ -0.054133 0.103419 -0.054672 0.012344 -0.008358 150 C 10 YZ -0.017669 0.047307 -0.026175 -0.036400 -0.115931 151 C 11 S -0.189257 -0.068948 -0.166850 -0.012736 0.045920 152 C 11 S -0.399733 -0.148361 -0.327337 -0.018943 0.083017 153 C 11 S 1.821208 0.426317 2.570078 -0.201318 -1.537809 154 C 11 X -0.003327 -0.048372 -0.125452 -0.161669 0.225854 155 C 11 Y -0.250095 -0.007690 -0.047958 0.197508 0.060085 156 C 11 Z -0.021376 0.067458 -0.083709 -0.009839 -0.043131 157 C 11 X 3.817516 1.002658 -0.382407 -1.536510 -3.435069 158 C 11 Y 1.488714 -0.322558 0.031786 -1.445345 -0.420133 159 C 11 Z 0.258930 0.240392 0.526429 0.187921 -0.067920 160 C 11 XX 0.019415 0.037315 0.030947 0.051928 0.056373 161 C 11 YY 0.003603 -0.044912 -0.002335 0.050570 -0.052341 162 C 11 ZZ -0.023018 0.007597 -0.028612 -0.102499 -0.004032 163 C 11 XY -0.018577 -0.011472 0.072119 0.032784 -0.026980 164 C 11 XZ 0.036705 -0.018698 -0.014397 -0.118544 0.038248 165 C 11 YZ 0.065208 0.051324 -0.051399 0.148808 0.199009 166 C 12 S 0.128121 0.125830 -0.115883 -0.065401 0.056627 167 C 12 S 0.246185 0.215941 -0.225400 -0.124817 0.100222 168 C 12 S -1.019484 -1.814376 0.890007 1.017799 1.097502 169 C 12 X -0.009197 -0.079453 -0.054671 -0.012503 0.123996 170 C 12 Y 0.070602 0.166794 -0.063795 0.044558 -0.020925 171 C 12 Z -0.053050 -0.005546 -0.012291 -0.111002 0.065596 172 C 12 X -0.230508 -0.128845 0.475795 0.051546 0.371161 173 C 12 Y -0.229688 0.222418 -0.060293 -0.662693 -0.059848 174 C 12 Z 0.407191 0.365038 0.099853 0.426239 0.031485 175 C 12 XX -0.079253 0.020918 -0.004493 -0.007856 0.087195 176 C 12 YY 0.130902 -0.046874 0.040743 0.094614 -0.056124 177 C 12 ZZ -0.051649 0.025956 -0.036250 -0.086757 -0.031071 178 C 12 XY 0.099879 0.057904 0.073348 -0.118615 -0.010482 179 C 12 XZ 0.002951 0.110861 -0.085686 0.061924 0.066488 180 C 12 YZ -0.152499 -0.202375 0.047080 0.004731 0.129244 181 C 13 S 0.071207 -0.160965 0.038436 -0.027600 -0.003677 182 C 13 S 0.131452 -0.291496 0.077181 -0.049454 0.006445 183 C 13 S -0.546103 1.130941 -0.044445 -0.051278 -0.026399 184 C 13 X -0.031164 0.102621 -0.029839 -0.057175 0.107195 185 C 13 Y 0.087246 -0.001443 -0.095443 -0.055935 -0.099968 186 C 13 Z -0.016019 0.032405 0.062097 0.118561 -0.014002 187 C 13 X -0.130627 0.146236 0.049947 0.279750 -0.043850 188 C 13 Y 0.417969 0.080143 0.312760 0.113711 0.236010 189 C 13 Z -0.157194 0.041879 -0.184847 -0.380670 -0.020880 190 C 13 XX -0.025876 0.026173 0.150470 0.171048 -0.066618 191 C 13 YY 0.051348 0.107146 -0.054198 -0.043561 0.136510 192 C 13 ZZ -0.025472 -0.133319 -0.096272 -0.127487 -0.069892 193 C 13 XY 0.063966 0.030253 -0.081073 -0.071476 0.083045 194 C 13 XZ -0.097471 0.078534 0.021414 -0.088778 -0.070418 195 C 13 YZ 0.014869 0.022267 -0.132294 -0.044498 0.053419 196 C 14 S -0.218296 0.130589 0.087600 0.050098 0.095246 197 C 14 S -0.397824 0.250196 0.152886 0.073080 0.196548 198 C 14 S 3.441316 -0.413696 -0.894096 -1.345929 -1.780576 199 C 14 X 0.120776 0.042570 -0.125445 -0.132434 -0.003570 200 C 14 Y 0.141153 -0.081125 -0.058343 -0.002316 -0.098493 201 C 14 Z -0.012165 0.088608 0.062438 0.033992 -0.123525 202 C 14 X 0.685918 0.088540 -0.355046 -0.543402 -0.947735 203 C 14 Y 0.415213 -0.006798 -0.105278 -0.152088 0.096472 204 C 14 Z -0.055448 -0.197149 -0.133781 -0.082151 0.210962 205 C 14 XX 0.149630 -0.002124 -0.013123 0.039355 -0.056764 206 C 14 YY 0.054859 -0.096580 -0.130272 -0.092714 0.070017 207 C 14 ZZ -0.204488 0.098703 0.143395 0.053359 -0.013254 208 C 14 XY 0.075305 0.072298 -0.178373 -0.089868 0.249030 209 C 14 XZ 0.072592 -0.229396 -0.116929 -0.055878 0.043326 210 C 14 YZ -0.070874 0.058105 0.049030 0.032693 0.203724 211 F 15 S 0.014094 0.002969 0.002155 -0.004695 0.007724 212 F 15 S 0.040403 0.013165 -0.000017 -0.015616 0.021635 213 F 15 S -0.017022 0.050298 -0.076251 -0.110346 -0.010279 214 F 15 X 0.080067 -0.140391 0.032956 0.049833 -0.138201 215 F 15 Y -0.155276 -0.144617 0.378127 0.049556 0.091837 216 F 15 Z 0.012826 -0.008494 0.000530 0.107889 -0.143918 217 F 15 X -0.079911 0.140974 -0.045539 -0.038186 0.212240 218 F 15 Y 0.261049 0.254408 -0.512550 -0.031546 -0.178098 219 F 15 Z -0.095376 -0.077606 0.034681 -0.172909 0.188976 220 F 15 XX 0.000024 0.004680 -0.005284 0.009708 -0.003660 221 F 15 YY 0.002208 0.000274 0.003250 0.003118 -0.007198 222 F 15 ZZ -0.002232 -0.004954 0.002034 -0.012826 0.010858 223 F 15 XY -0.003930 -0.004117 0.005733 0.001404 0.012578 224 F 15 XZ -0.003989 -0.005106 0.007666 0.004246 -0.001936 225 F 15 YZ 0.017158 0.022718 -0.016608 -0.003064 -0.011849 226 F 16 S 0.013223 0.020809 -0.025666 -0.006232 -0.002579 227 F 16 S 0.037599 0.058635 -0.065866 -0.013948 -0.001162 228 F 16 S 0.108714 0.084861 0.026524 0.113264 0.026192 229 F 16 X 0.156835 0.146145 0.155270 0.052726 0.090798 230 F 16 Y 0.077158 -0.000060 -0.029073 -0.122830 -0.056826 231 F 16 Z 0.053152 0.052045 -0.187418 0.035427 0.042843 232 F 16 X -0.263602 -0.208315 -0.262250 -0.039296 -0.073058 233 F 16 Y -0.074467 0.015544 0.010738 0.219262 0.010289 234 F 16 Z -0.097871 -0.060966 0.247378 -0.112289 -0.040802 235 F 16 XX 0.008655 -0.002280 0.012545 -0.007087 0.002535 236 F 16 YY -0.003089 0.015307 -0.007302 0.004832 -0.000238 237 F 16 ZZ -0.005566 -0.013026 -0.005243 0.002255 -0.002297 238 F 16 XY -0.015577 -0.007282 -0.005209 0.004757 0.009516 239 F 16 XZ 0.009301 0.005490 0.005434 -0.001833 0.003857 240 F 16 YZ -0.010582 -0.006929 0.011997 -0.014513 -0.001903 241 F 17 S -0.007175 0.006048 0.006313 -0.009322 0.028973 242 F 17 S -0.024296 0.017201 0.023022 -0.020203 0.070261 243 F 17 S -0.139460 0.015952 0.050646 0.058608 0.026239 244 F 17 X -0.090365 0.055618 0.019690 -0.057077 -0.185467 245 F 17 Y -0.011022 0.110869 -0.073379 0.112584 0.067539 246 F 17 Z 0.068928 -0.133090 0.102742 -0.095056 0.014068 247 F 17 X 0.167601 -0.099853 -0.060338 0.059391 0.327625 248 F 17 Y 0.034680 -0.164669 0.110259 -0.139262 -0.178208 249 F 17 Z -0.142488 0.216383 -0.068711 0.188140 -0.113680 250 F 17 XX -0.000224 0.001156 0.000010 0.005493 -0.013655 251 F 17 YY -0.013135 0.011484 0.004253 0.008970 0.004398 252 F 17 ZZ 0.013359 -0.012640 -0.004263 -0.014464 0.009257 253 F 17 XY -0.015756 0.009425 0.014258 0.007216 -0.007279 254 F 17 XZ -0.007449 0.004868 0.007635 0.002771 -0.018523 255 F 17 YZ -0.007826 0.002460 -0.000076 -0.003312 0.022334 256 F 18 S -0.012771 0.015660 0.029596 0.006626 -0.016899 257 F 18 S -0.036007 0.039836 0.076440 0.019406 -0.037407 258 F 18 S -0.096807 0.045396 -0.009571 0.042133 0.072014 259 F 18 X -0.031478 -0.150018 0.089544 0.073606 -0.171932 260 F 18 Y -0.102197 0.061334 0.226820 -0.079338 0.209451 261 F 18 Z -0.055495 -0.055410 0.135858 -0.018947 0.106210 262 F 18 X 0.058313 0.232798 -0.140298 -0.102311 0.285181 263 F 18 Y 0.186753 -0.131590 -0.339530 0.093692 -0.320723 264 F 18 Z 0.094691 0.142822 -0.162489 0.008583 -0.232243 265 F 18 XX -0.000259 -0.015913 0.003075 0.002421 0.000295 266 F 18 YY -0.002890 0.000626 0.003559 -0.003933 0.009125 267 F 18 ZZ 0.003149 0.015287 -0.006634 0.001511 -0.009420 268 F 18 XY -0.008819 -0.003664 0.011345 0.004319 0.010358 269 F 18 XZ 0.007062 0.010205 -0.003134 -0.000086 0.014609 270 F 18 YZ 0.017612 -0.016895 -0.021857 -0.004973 -0.008277 271 C 19 S 0.210780 -0.234795 0.175290 0.150736 -0.003864 272 C 19 S 0.380098 -0.423884 0.309500 0.265651 -0.013228 273 C 19 S -2.264160 2.892762 -2.374053 -1.871644 -0.454353 274 C 19 X 0.086109 -0.057332 0.063021 0.059612 0.005741 275 C 19 Y 0.083693 -0.125059 0.114116 0.090899 0.031461 276 C 19 Z 0.035676 -0.019632 0.013576 0.035937 0.003112 277 C 19 X 0.656791 -0.308164 0.584580 0.536820 0.469338 278 C 19 Y 0.622787 -0.993356 0.641228 0.522718 0.004272 279 C 19 Z 0.112988 -0.151050 0.107887 0.021806 0.050918 280 C 19 XX 0.003002 -0.011630 -0.008037 -0.011780 -0.014756 281 C 19 YY -0.009060 0.112211 0.010112 0.001360 0.070874 282 C 19 ZZ 0.006057 -0.100581 -0.002075 0.010420 -0.056119 283 C 19 XY -0.112804 0.015923 -0.045032 -0.103720 -0.085698 284 C 19 XZ -0.022322 0.023779 -0.014152 0.012679 -0.024471 285 C 19 YZ -0.006272 -0.055365 -0.010606 0.024773 0.020523 286 H 20 S 0.092393 -0.257029 0.132979 0.087448 -0.080075 287 H 20 S 0.007093 -0.108906 -0.034531 -0.013191 -0.141470 288 H 20 X -0.053130 -0.006591 -0.011723 -0.019106 -0.020076 289 H 20 Y -0.105135 -0.039795 -0.029316 0.000940 -0.044395 290 H 20 Z -0.037503 -0.027369 -0.013378 0.068505 -0.018857 291 H 21 S 0.202492 -0.214530 0.158834 0.156543 0.036833 292 H 21 S 0.039478 -0.005551 0.039426 0.007789 0.036542 293 H 21 X 0.000494 0.037726 -0.040727 0.045069 -0.040568 294 H 21 Y 0.040728 0.043516 -0.048161 0.047699 -0.013022 295 H 21 Z 0.042111 0.027971 -0.017422 0.033452 0.006452 296 C 22 S 0.083244 0.056496 0.186406 0.016445 0.045129 297 C 22 S 0.156899 0.096255 0.340024 0.023936 0.072895 298 C 22 S -1.111992 -0.596937 -2.180837 -0.478254 -0.748776 299 C 22 X 0.015259 0.018000 0.055679 0.019932 0.034687 300 C 22 Y -0.014821 -0.051957 -0.082952 -0.032978 -0.056185 301 C 22 Z 0.004542 -0.008419 -0.009763 0.001013 0.010248 302 C 22 X -0.084395 0.019977 0.742367 -0.010053 0.005845 303 C 22 Y -0.553019 -0.199393 -0.446341 -0.182885 -0.294602 304 C 22 Z -0.003151 -0.001719 -0.102081 -0.002352 -0.020353 305 C 22 XX 0.106009 0.015834 -0.103164 0.026995 0.047024 306 C 22 YY -0.060128 -0.016610 0.005884 -0.015940 -0.036853 307 C 22 ZZ -0.045882 0.000777 0.097279 -0.011056 -0.010171 308 C 22 XY 0.023073 -0.018808 0.099809 -0.012419 -0.016787 309 C 22 XZ 0.023078 -0.028102 -0.013881 -0.000614 0.033961 310 C 22 YZ -0.002792 0.008175 -0.016079 -0.003588 -0.015277 311 H 23 S -0.032206 0.058390 0.215707 0.009477 0.045400 312 H 23 S -0.074279 -0.002906 0.191999 -0.015817 -0.043816 313 H 23 X -0.056495 -0.013935 0.060727 -0.015532 0.007038 314 H 23 Y 0.071241 0.009806 -0.051306 0.009401 -0.009321 315 H 23 Z 0.005064 -0.008125 0.027006 0.038860 0.019676 316 H 24 S 0.052617 0.083266 0.138785 0.026491 0.018801 317 H 24 S 0.057362 0.003487 -0.012479 0.007394 0.053451 318 H 24 X -0.024888 0.010115 -0.009963 -0.006990 -0.005123 319 H 24 Y 0.018156 0.001654 0.053788 0.058078 0.069375 320 H 24 Z 0.000704 0.000768 0.010924 0.019156 0.005004 321 H 25 S 0.105018 0.046654 0.086611 0.038693 0.086091 322 H 25 S 0.044734 0.030920 -0.019245 -0.000597 0.005356 323 H 25 X 0.008687 0.009816 -0.076376 0.021912 0.031383 324 H 25 Y -0.008744 -0.006146 0.047144 -0.073691 -0.023150 325 H 25 Z 0.015810 0.010518 -0.036276 0.020763 0.014800 326 C 26 S -0.114116 -0.062431 0.147370 0.083627 0.109654 327 C 26 S -0.213395 -0.108995 0.270357 0.151729 0.194295 328 C 26 S 0.895683 0.730166 -1.511877 -0.673336 -1.498508 329 C 26 X -0.002752 0.016122 0.001488 0.012328 -0.009456 330 C 26 Y 0.006937 0.025502 -0.014361 0.004487 0.012256 331 C 26 Z 0.025479 0.039870 -0.050995 -0.058228 -0.077607 332 C 26 X 0.201333 0.208828 0.144224 0.093544 -0.169227 333 C 26 Y -0.239894 0.406689 0.134898 -0.040589 -0.184563 334 C 26 Z 0.194228 0.231633 -0.505273 -0.147680 -0.618750 335 C 26 XX 0.022470 -0.074976 0.009114 -0.005019 0.032699 336 C 26 YY -0.025536 0.084627 0.047035 0.028143 0.038436 337 C 26 ZZ 0.003066 -0.009650 -0.056149 -0.023123 -0.071134 338 C 26 XY -0.041517 -0.095264 -0.056518 0.029585 0.128769 339 C 26 XZ 0.046906 0.087469 -0.007188 0.092703 0.041692 340 C 26 YZ -0.084442 0.042169 0.030102 -0.066339 -0.074429 341 H 27 S 0.012280 0.073580 0.186334 0.017491 -0.027258 342 H 27 S -0.191995 0.078501 0.141497 0.136312 -0.024284 343 H 27 X -0.049699 -0.063280 0.012495 -0.060122 0.113950 344 H 27 Y 0.040245 0.091759 -0.013704 0.091751 -0.117819 345 H 27 Z -0.009402 -0.131288 0.010352 -0.028594 0.136147 346 H 28 S -0.129312 -0.152876 0.092669 -0.007320 0.038899 347 H 28 S 0.132085 -0.089771 0.009662 0.099836 0.071709 348 H 28 X -0.029837 0.154292 -0.024802 0.041733 -0.191329 349 H 28 Y 0.016977 0.007968 -0.003659 -0.018416 -0.055092 350 H 28 Z 0.043732 -0.007845 0.017892 -0.021819 0.018701 351 H 29 S -0.130140 -0.070026 0.087652 0.146492 0.220310 352 H 29 S -0.137590 0.034901 -0.005741 -0.014492 -0.006124 353 H 29 X 0.004163 -0.030506 -0.007758 0.005588 0.083160 354 H 29 Y 0.065227 -0.181422 0.016112 -0.067898 0.171726 355 H 29 Z -0.022670 0.107794 -0.000280 0.104608 0.000650 356 C 30 S -0.183967 0.100321 0.103447 0.089180 -0.068389 357 C 30 S -0.359324 0.188536 0.195755 0.175508 -0.136617 358 C 30 S 1.168117 -0.649924 -1.073651 -0.261936 0.083715 359 C 30 X -0.054855 0.002910 0.023938 0.005970 0.000319 360 C 30 Y -0.033364 0.010070 0.003958 -0.060215 0.028991 361 C 30 Z 0.044096 -0.012882 0.010636 -0.031350 0.029469 362 C 30 X 0.003699 -0.325314 0.017082 -0.097713 0.027794 363 C 30 Y -0.169066 0.164123 0.220174 -0.138676 -0.084929 364 C 30 Z -0.173126 0.093487 0.359948 -0.064586 0.060461 365 C 30 XX -0.048306 0.049908 0.018145 -0.133589 0.045165 366 C 30 YY 0.065871 -0.036598 -0.021081 0.114392 0.017160 367 C 30 ZZ -0.017564 -0.013309 0.002936 0.019197 -0.062324 368 C 30 XY -0.090004 -0.064362 -0.004939 0.060180 0.004130 369 C 30 XZ -0.005980 0.087029 -0.006921 0.078873 0.048059 370 C 30 YZ -0.035055 -0.025708 -0.087793 -0.009910 0.050823 371 H 31 S -0.226977 0.110970 0.059129 -0.067788 0.017539 372 H 31 S -0.076928 0.100241 0.086620 0.117191 -0.090158 373 H 31 X -0.226279 -0.060109 -0.195958 0.272236 0.009687 374 H 31 Y -0.044986 0.028981 0.019735 -0.046700 -0.046906 375 H 31 Z -0.087280 0.088565 0.029306 -0.135115 -0.065904 376 H 32 S -0.174816 0.000413 0.082452 0.213899 -0.036989 377 H 32 S 0.035938 -0.024320 -0.011163 -0.079379 0.034753 378 H 32 X 0.055870 0.046843 0.072642 -0.069174 -0.062000 379 H 32 Y 0.152722 0.070198 0.128501 -0.170279 -0.032202 380 H 32 Z -0.133725 -0.109060 0.003060 0.163769 -0.083262 381 H 33 S 0.031694 0.152172 0.096569 0.059197 -0.070529 382 H 33 S -0.182127 0.074052 -0.039675 0.114392 -0.027377 383 H 33 X 0.094643 0.079940 0.118371 -0.118051 -0.087790 384 H 33 Y -0.156007 -0.126366 -0.165262 0.149199 0.023541 385 H 33 Z 0.157019 0.070215 -0.080022 0.102081 0.151735 386 H 34 S 0.163019 -0.101124 0.161445 0.126419 0.011613 387 H 34 S 0.077259 -0.023423 0.040496 0.077275 0.031738 388 H 34 X -0.067646 0.024345 -0.005704 -0.164797 -0.010342 389 H 34 Y -0.072802 0.077094 -0.003599 -0.117402 -0.011027 390 H 34 Z 0.000120 0.000187 -0.005922 -0.003423 -0.007526 391 F 35 S 0.003237 -0.006598 0.019827 0.007755 -0.014770 392 F 35 S 0.010313 -0.022063 0.048408 0.016135 -0.038997 393 F 35 S 0.036738 -0.072478 -0.027730 0.022939 0.016786 394 F 35 X 0.070521 -0.138318 -0.017060 -0.014837 -0.091207 395 F 35 Y 0.098880 0.034240 0.173162 0.078282 0.005899 396 F 35 Z 0.030470 -0.290942 -0.141075 -0.005389 -0.070494 397 F 35 X -0.092086 0.181531 -0.010567 -0.073015 0.117082 398 F 35 Y -0.167604 -0.031656 -0.273853 -0.159875 0.022816 399 F 35 Z -0.048033 0.415583 0.265979 0.073458 0.057832 400 F 35 XX 0.009142 -0.020053 -0.002213 0.001662 -0.004470 401 F 35 YY -0.000846 0.004832 -0.006417 -0.003186 0.008141 402 F 35 ZZ -0.008295 0.015220 0.008631 0.001524 -0.003671 403 F 35 XY -0.000268 -0.006448 0.009913 0.013476 -0.009696 404 F 35 XZ 0.001911 -0.009647 -0.017680 -0.007648 0.006223 405 F 35 YZ -0.001872 0.002465 -0.008826 -0.002914 0.007562 406 F 36 S 0.012845 -0.006516 -0.010767 -0.012741 0.011780 407 F 36 S 0.034694 -0.020608 -0.025301 -0.030751 0.032589 408 F 36 S -0.010599 -0.071032 -0.000724 -0.036879 -0.009256 409 F 36 X -0.016810 0.066858 0.145273 0.086161 0.015826 410 F 36 Y -0.050453 0.006141 0.062196 0.018458 0.232663 411 F 36 Z -0.004376 -0.042165 -0.050884 -0.069545 0.075911 412 F 36 X 0.008167 -0.086506 -0.182415 -0.158870 -0.030146 413 F 36 Y 0.050055 0.013502 -0.168373 -0.045316 -0.310623 414 F 36 Z 0.028586 0.083255 0.109438 0.169201 -0.059550 415 F 36 XX -0.003648 0.005859 0.004257 0.012144 -0.002127 416 F 36 YY -0.000248 0.004216 0.000467 0.001505 -0.002192 417 F 36 ZZ 0.003896 -0.010075 -0.004724 -0.013649 0.004319 418 F 36 XY -0.005742 0.000545 -0.000983 -0.003180 0.003731 419 F 36 XZ 0.006167 0.002466 0.003864 0.010207 0.007815 420 F 36 YZ -0.002773 -0.001821 0.017719 0.007014 0.001499 421 C 37 S 0.080745 0.032743 -0.105478 0.031120 -0.125791 422 C 37 S 0.162472 0.067606 -0.193130 0.063369 -0.266746 423 C 37 S -0.600630 -0.057935 2.580490 0.168471 2.006053 424 C 37 X -0.048063 -0.016903 -0.033046 -0.006543 0.095578 425 C 37 Y 0.004524 0.011151 -0.021609 -0.005927 0.068178 426 C 37 Z -0.105281 -0.108853 0.007175 -0.028528 0.081256 427 C 37 X 1.149443 0.741636 -1.055918 0.290179 -0.796835 428 C 37 Y -0.259312 0.223063 0.387123 -0.397621 0.487704 429 C 37 Z 0.103281 0.023867 0.117815 -0.369910 0.234203 430 C 37 XX 0.011564 -0.089337 0.060910 0.085294 -0.095145 431 C 37 YY 0.013409 0.061038 -0.074190 -0.017843 0.010747 432 C 37 ZZ -0.024973 0.028299 0.013280 -0.067451 0.084398 433 C 37 XY -0.047120 0.044413 -0.115260 0.025721 0.006811 434 C 37 XZ -0.032154 -0.006518 -0.025281 0.124909 -0.085045 435 C 37 YZ 0.055441 -0.070034 -0.046681 0.091278 -0.056513 436 S 38 S 0.060613 0.017765 0.005725 0.047159 0.035055 437 S 38 S 0.432359 0.124087 0.041066 0.333267 0.247387 438 S 38 S 0.531420 0.141036 0.051358 0.390568 0.285319 439 S 38 S -1.985380 -0.796723 -0.166883 -1.750163 -1.489359 440 S 38 X 0.007715 -0.011357 0.015323 -0.016414 -0.004907 441 S 38 Y 0.003433 0.014247 0.003049 0.018162 0.030453 442 S 38 Z -0.005011 0.002401 0.002850 0.002889 -0.001049 443 S 38 X 0.028205 -0.021437 0.051016 -0.089463 -0.043888 444 S 38 Y 0.007696 0.063552 0.001839 0.084909 0.126402 445 S 38 Z -0.021068 0.031882 0.009871 0.013666 -0.007459 446 S 38 X -0.542215 -0.280565 -0.015373 -0.386240 -0.317540 447 S 38 Y 0.529416 0.114077 0.014521 0.549882 0.377892 448 S 38 Z 0.001546 0.019001 -0.039234 -0.058749 0.007155 449 S 38 XX -0.128855 -0.062414 0.031733 -0.052270 -0.032156 450 S 38 YY -0.020473 0.019264 -0.058738 -0.092420 -0.083300 451 S 38 ZZ 0.149327 0.043150 0.027005 0.144690 0.115455 452 S 38 XY -0.089894 -0.061863 -0.063666 0.045638 0.004678 453 S 38 XZ 0.024854 0.032429 -0.006128 -0.014957 0.009060 454 S 38 YZ 0.009615 -0.063048 0.001684 -0.003489 -0.006382 455 S 38 XX -0.019102 -0.006485 0.000162 -0.004977 -0.005724 456 S 38 YY -0.001072 0.003852 -0.005262 -0.012847 -0.009131 457 S 38 ZZ 0.020174 0.002633 0.005100 0.017825 0.014854 458 S 38 XY -0.010328 -0.012595 -0.006601 0.008898 0.001181 459 S 38 XZ 0.006696 0.005463 -0.000042 -0.000844 0.002452 460 S 38 YZ 0.001868 -0.010756 0.000824 0.000682 -0.000868 461 H 39 S -0.263668 -0.032909 -0.083663 -0.163339 0.121129 462 H 39 S -0.304516 -0.264359 0.278420 -0.061480 0.176428 463 H 39 X -0.052540 -0.009594 -0.011104 -0.032375 0.075016 464 H 39 Y -0.014639 -0.011775 -0.075908 0.069718 0.081679 465 H 39 Z 0.049453 -0.014462 -0.053242 0.087950 -0.123384 281 282 283 284 285 1.7110 1.7158 1.7265 1.7323 1.7418 A A A A A 1 C 1 S -0.001774 0.121710 0.000817 0.005785 -0.015594 2 C 1 S -0.012115 0.208308 0.012879 0.014103 -0.012359 3 C 1 S -0.365954 -2.068849 -0.894515 -1.325472 1.066770 4 C 1 X -0.000502 -0.006035 -0.018258 -0.002646 -0.017638 5 C 1 Y -0.020284 -0.097136 0.022069 -0.007547 -0.013618 6 C 1 Z -0.012685 -0.005878 0.009520 -0.002038 0.018456 7 C 1 X 0.819913 -0.932576 2.044647 1.602756 -0.792861 8 C 1 Y -0.337415 2.427955 -0.217410 0.713782 0.823946 9 C 1 Z -0.093482 0.282179 -0.239901 -0.164363 -0.064521 10 C 1 XX -0.036427 0.050272 -0.094200 -0.092153 0.090241 11 C 1 YY 0.036944 -0.192123 0.132861 0.171549 -0.080646 12 C 1 ZZ -0.000516 0.141851 -0.038661 -0.079396 -0.009595 13 C 1 XY -0.016072 0.111576 -0.009636 0.076754 0.090038 14 C 1 XZ 0.063371 -0.074595 0.078467 0.091944 0.023981 15 C 1 YZ -0.017450 0.159470 -0.018875 -0.052338 -0.051166 16 C 2 S -0.026007 0.006072 -0.155559 -0.181304 0.088408 17 C 2 S -0.036434 -0.002834 -0.267544 -0.318635 0.152264 18 C 2 S 0.870564 -0.209266 5.001996 5.038063 -2.076178 19 C 2 X -0.006113 0.032804 0.000942 -0.001505 -0.015444 20 C 2 Y -0.022428 -0.041141 0.085699 0.041473 -0.007441 21 C 2 Z 0.007924 -0.060073 0.046385 0.040887 0.014322 22 C 2 X 0.507871 0.271938 1.036723 0.826137 -0.890478 23 C 2 Y 0.095062 -0.448320 1.095466 1.124522 -0.588639 24 C 2 Z 0.050065 -0.164051 0.154309 0.076470 0.281605 25 C 2 XX 0.054336 -0.049972 0.002484 -0.023635 -0.054768 26 C 2 YY -0.050313 -0.088528 0.010793 0.101312 0.028773 27 C 2 ZZ -0.004022 0.138500 -0.013276 -0.077677 0.025995 28 C 2 XY 0.027645 -0.146423 0.084909 0.057291 -0.132897 29 C 2 XZ 0.031341 0.047450 -0.028192 0.016333 -0.015929 30 C 2 YZ 0.026734 -0.117703 0.089104 0.037698 0.130582 31 C 3 S 0.095717 -0.000591 0.063496 0.047128 -0.116653 32 C 3 S 0.194781 0.021403 0.138372 0.078975 -0.266983 33 C 3 S -0.860403 3.995886 -1.604325 -1.490034 1.093827 34 C 3 X -0.043595 0.114657 -0.055480 0.095593 -0.068152 35 C 3 Y 0.012967 -0.016882 -0.166759 -0.215639 0.042135 36 C 3 Z 0.050156 0.099467 -0.001522 0.089778 0.030290 37 C 3 X 0.777892 -2.509487 -1.844585 -1.528720 1.016530 38 C 3 Y -0.069109 1.035927 3.117362 3.587886 -0.495068 39 C 3 Z 0.010330 0.125389 0.149484 0.146819 -0.516243 40 C 3 XX 0.105821 -0.072354 0.114394 0.053474 -0.156825 41 C 3 YY -0.037408 0.102215 -0.059202 -0.027050 0.092745 42 C 3 ZZ -0.068412 -0.029860 -0.055193 -0.026424 0.064081 43 C 3 XY 0.075359 0.037206 0.012746 -0.037617 -0.024314 44 C 3 XZ 0.127501 0.071406 -0.159669 0.053545 -0.095985 45 C 3 YZ 0.062479 -0.093384 0.094465 0.099391 0.026189 46 C 4 S -0.009724 0.230483 -0.037249 -0.070191 -0.114751 47 C 4 S -0.053086 0.389839 -0.093363 -0.150194 -0.194603 48 C 4 S -1.083597 -2.686971 0.488928 -0.043748 0.169781 49 C 4 X 0.047551 -0.022563 -0.112029 -0.013374 0.094071 50 C 4 Y 0.016604 -0.120369 0.120242 -0.020974 -0.072516 51 C 4 Z 0.093767 0.104184 0.101266 0.043914 -0.012471 52 C 4 X 0.411715 0.261641 0.733306 1.122230 -0.414175 53 C 4 Y 0.025555 -0.515448 -1.662742 -1.146230 0.324652 54 C 4 Z -0.556880 -0.984464 -1.740519 -0.804690 1.189094 55 C 4 XX 0.089026 0.051298 -0.088817 -0.045124 0.039503 56 C 4 YY -0.083572 -0.021775 0.056608 0.061387 -0.064914 57 C 4 ZZ -0.005454 -0.029523 0.032208 -0.016263 0.025411 58 C 4 XY 0.057732 0.030863 0.065139 -0.082152 -0.067364 59 C 4 XZ -0.090432 -0.018719 0.021868 -0.050071 -0.019049 60 C 4 YZ -0.003726 0.012176 -0.072282 0.218097 0.115810 61 S 5 S 0.013864 -0.013472 0.051028 0.041743 0.022530 62 S 5 S 0.099217 -0.097167 0.363530 0.289655 0.161213 63 S 5 S 0.122432 -0.126104 0.448688 0.313290 0.196620 64 S 5 S -0.386324 -0.158047 -1.889841 -1.883199 -0.339414 65 S 5 X -0.006425 0.030726 0.020257 0.042908 -0.005396 66 S 5 Y -0.011335 0.002100 -0.007063 -0.007659 0.034615 67 S 5 Z 0.008171 0.020973 0.004086 -0.006730 -0.009635 68 S 5 X -0.023227 0.107588 0.073195 0.195089 0.004670 69 S 5 Y -0.051974 -0.012772 0.002089 -0.020458 0.131325 70 S 5 Z 0.038993 0.084311 0.016791 -0.024152 -0.045052 71 S 5 X 0.111530 -0.018349 0.584659 0.585873 0.223769 72 S 5 Y 0.087493 0.041417 0.184215 0.250614 0.005969 73 S 5 Z 0.006569 -0.076360 -0.103684 -0.090964 0.030401 74 S 5 XX 0.022278 0.053680 -0.016946 -0.088521 -0.064120 75 S 5 YY -0.070131 0.030787 -0.082289 -0.086856 0.011861 76 S 5 ZZ 0.047853 -0.084467 0.099236 0.175377 0.052259 77 S 5 XY 0.061732 -0.015058 -0.002586 0.012892 -0.045716 78 S 5 XZ -0.068539 -0.027129 0.025530 0.020463 0.025429 79 S 5 YZ 0.004639 0.083338 -0.013252 -0.033161 -0.038889 80 S 5 XX 0.002542 0.014283 -0.002141 -0.013621 -0.009493 81 S 5 YY -0.009365 0.001397 -0.008041 -0.007097 0.002473 82 S 5 ZZ 0.006823 -0.015680 0.010182 0.020718 0.007020 83 S 5 XY 0.008979 0.003668 -0.005084 0.000348 -0.001176 84 S 5 XZ -0.011621 -0.000966 0.004949 -0.000547 0.002096 85 S 5 YZ -0.000567 0.009992 -0.002623 -0.003598 -0.005531 86 H 6 S -0.019993 0.215686 -0.143292 -0.207016 0.082184 87 H 6 S 0.160908 -0.177520 0.241005 0.246526 -0.265162 88 H 6 X -0.023126 -0.018955 -0.037833 -0.049612 0.069903 89 H 6 Y 0.022236 -0.077101 0.015013 0.030249 -0.071104 90 H 6 Z -0.037705 0.129790 -0.164451 -0.051133 -0.104776 91 C 7 S 0.012509 0.025488 -0.052206 -0.012129 0.026387 92 C 7 S 0.011655 0.048500 -0.060002 -0.047042 0.049653 93 C 7 S -0.604408 -1.538288 2.997197 -0.817043 -1.220784 94 C 7 X -0.128455 -0.086718 -0.017755 0.087151 -0.044041 95 C 7 Y -0.135267 0.068849 0.090318 0.157879 -0.137149 96 C 7 Z 0.045564 0.159136 0.016499 -0.001967 0.045536 97 C 7 X 0.854193 1.693556 -2.743800 -0.820934 1.105510 98 C 7 Y 2.347511 -0.099416 -3.700549 -1.087998 2.020773 99 C 7 Z -0.054487 -0.758949 0.356588 -0.046280 -0.511399 100 C 7 XX -0.154656 -0.073814 -0.015296 -0.025978 -0.003042 101 C 7 YY 0.032095 -0.010769 -0.017115 -0.065045 -0.074183 102 C 7 ZZ 0.122561 0.084583 0.032411 0.091023 0.077225 103 C 7 XY -0.131886 -0.006492 0.083635 0.128372 0.011083 104 C 7 XZ -0.039124 0.015683 -0.038968 -0.079502 -0.027611 105 C 7 YZ -0.152224 0.016763 -0.024052 0.128097 0.233403 106 C 8 S 0.090647 0.086087 0.012834 0.049092 -0.113805 107 C 8 S 0.171294 0.134886 0.015272 0.087524 -0.230046 108 C 8 S -1.131129 -1.708473 0.123867 -0.444432 0.550882 109 C 8 X 0.056462 -0.026822 -0.017340 -0.005363 -0.047117 110 C 8 Y 0.004009 0.042082 -0.042582 -0.032820 0.082704 111 C 8 Z 0.022529 0.023051 0.015824 -0.018187 -0.000434 112 C 8 X -1.120201 0.708528 1.228800 0.581550 0.281765 113 C 8 Y 0.128217 0.441036 -0.646348 -0.160098 0.688653 114 C 8 Z -0.039810 0.071565 -0.008973 0.092967 0.208512 115 C 8 XX 0.002109 -0.100458 -0.094327 -0.161027 0.036435 116 C 8 YY -0.039480 0.040081 0.106091 0.108378 0.033336 117 C 8 ZZ 0.037371 0.060376 -0.011764 0.052649 -0.069772 118 C 8 XY -0.161450 0.002673 0.123231 0.042475 -0.018421 119 C 8 XZ 0.023918 -0.084271 -0.057278 -0.017005 -0.017379 120 C 8 YZ -0.043274 0.010112 -0.104347 -0.074497 -0.057303 121 C 9 S 0.108564 -0.020860 0.141247 -0.059883 -0.027550 122 C 9 S 0.234662 0.013072 0.280140 -0.083348 -0.049700 123 C 9 S 0.167221 0.559876 -0.241616 1.254338 0.373173 124 C 9 X 0.013320 0.041978 -0.045059 0.097255 -0.115797 125 C 9 Y 0.157110 0.097271 -0.139681 -0.018194 0.028637 126 C 9 Z 0.110520 0.156431 0.070538 0.091176 0.087748 127 C 9 X -0.693122 0.263759 1.082831 -0.086463 0.321892 128 C 9 Y -1.122168 -1.492301 2.503917 0.997957 -1.101369 129 C 9 Z -0.315372 -0.529601 1.120078 0.650662 -0.159538 130 C 9 XX 0.036457 -0.029529 -0.157323 -0.074633 0.030580 131 C 9 YY -0.095137 -0.075366 0.159985 -0.007141 -0.009477 132 C 9 ZZ 0.058680 0.104895 -0.002661 0.081774 -0.021103 133 C 9 XY 0.066684 0.001879 -0.123031 -0.021036 -0.006894 134 C 9 XZ -0.061425 -0.053386 0.143822 -0.030605 -0.042523 135 C 9 YZ -0.100786 -0.147131 -0.066576 0.118939 0.115447 136 C 10 S -0.015688 -0.034981 0.083594 0.061317 -0.034762 137 C 10 S -0.008279 -0.077336 0.141054 0.112406 -0.047878 138 C 10 S 2.152180 0.479281 -3.122597 -0.385613 2.370641 139 C 10 X -0.063645 -0.031146 -0.171749 0.009915 -0.035360 140 C 10 Y 0.239727 0.013840 -0.038006 -0.112443 -0.067649 141 C 10 Z -0.014055 0.003360 -0.002936 -0.022708 -0.020470 142 C 10 X 1.647556 1.522005 -2.813795 0.235978 2.333694 143 C 10 Y -1.836111 1.741596 -1.671102 -0.046523 -0.231487 144 C 10 Z -0.532733 0.251565 0.512216 0.043836 0.032139 145 C 10 XX -0.074585 0.010741 -0.003484 -0.030394 -0.015203 146 C 10 YY 0.022138 -0.098804 0.084558 -0.049851 0.000085 147 C 10 ZZ 0.052447 0.088063 -0.081074 0.080246 0.015117 148 C 10 XY -0.008423 -0.024889 -0.213613 0.172377 0.003389 149 C 10 XZ -0.053472 -0.065084 -0.012682 0.032906 -0.050776 150 C 10 YZ 0.139769 -0.030863 -0.087327 0.100089 0.148794 151 C 11 S 0.005404 0.185260 -0.035069 0.044726 0.041177 152 C 11 S -0.010997 0.388165 -0.114268 0.102856 0.092092 153 C 11 S -1.421296 -2.088978 -2.536667 -1.402337 0.338561 154 C 11 X -0.015041 0.184200 -0.133798 -0.208636 0.153204 155 C 11 Y -0.040349 0.007078 0.100612 0.230634 -0.097176 156 C 11 Z 0.031272 0.084318 -0.028476 -0.027211 -0.022977 157 C 11 X 0.769683 -3.476236 -0.100823 -0.915244 -1.173394 158 C 11 Y -1.159317 1.860992 -0.747097 -1.520449 -1.090760 159 C 11 Z 0.335600 -0.181515 -0.524711 0.051669 0.060305 160 C 11 XX -0.037703 0.011846 -0.042777 0.048658 0.047978 161 C 11 YY 0.025813 0.043896 0.106853 -0.023627 -0.024435 162 C 11 ZZ 0.011890 -0.055742 -0.064077 -0.025031 -0.023543 163 C 11 XY -0.094551 0.140737 0.047751 -0.069883 0.066116 164 C 11 XZ -0.054095 -0.175714 0.104171 -0.076876 0.125348 165 C 11 YZ 0.082200 -0.042711 0.046408 0.178520 0.070977 166 C 12 S -0.201383 0.037794 -0.034911 -0.046223 -0.042529 167 C 12 S -0.393818 0.068352 -0.107076 -0.067367 -0.088824 168 C 12 S 1.935160 0.065828 -0.611152 0.272984 1.217767 169 C 12 X -0.007125 -0.058230 -0.099480 0.042003 0.084702 170 C 12 Y -0.129675 -0.021624 0.069977 0.000890 0.001122 171 C 12 Z 0.024016 0.029676 0.038464 0.047907 0.102699 172 C 12 X 0.709180 0.181164 -0.415573 0.583679 0.095032 173 C 12 Y 0.223857 -0.006662 0.327503 -0.022901 -0.116361 174 C 12 Z -0.036997 -0.184404 0.014921 -0.278491 -0.362106 175 C 12 XX -0.008441 -0.044587 0.130814 -0.141421 0.121714 176 C 12 YY 0.014727 -0.034591 -0.107735 -0.040722 -0.197081 177 C 12 ZZ -0.006286 0.079178 -0.023079 0.182143 0.075367 178 C 12 XY 0.343517 -0.024870 0.112301 -0.203492 0.075511 179 C 12 XZ 0.093788 -0.131759 0.061900 0.085660 -0.039525 180 C 12 YZ 0.188307 -0.024147 -0.164527 0.199874 -0.013862 181 C 13 S 0.158603 -0.059736 0.051852 -0.144532 -0.046153 182 C 13 S 0.268075 -0.101738 0.101498 -0.270534 -0.077812 183 C 13 S -0.994479 0.654053 -0.333727 0.793047 -0.042365 184 C 13 X -0.173032 0.049921 -0.035618 0.023997 0.028408 185 C 13 Y -0.037021 -0.024073 0.047092 -0.054877 -0.079786 186 C 13 Z -0.074067 0.016407 0.157812 -0.083254 0.077340 187 C 13 X -0.184446 0.038171 0.058509 0.054090 0.201505 188 C 13 Y -0.037853 -0.038964 -0.369331 0.143517 -0.133753 189 C 13 Z -0.048182 0.213035 -0.534716 0.590439 -0.298917 190 C 13 XX -0.022646 0.058005 0.105428 -0.123653 0.143854 191 C 13 YY -0.102029 -0.055634 0.084926 -0.071918 -0.054108 192 C 13 ZZ 0.124675 -0.002372 -0.190354 0.195572 -0.089746 193 C 13 XY 0.168748 0.005822 0.161540 -0.184244 -0.010650 194 C 13 XZ -0.083460 0.005940 0.017988 0.039654 0.081092 195 C 13 YZ 0.093513 -0.032652 0.121340 0.061728 0.210620 196 C 14 S -0.123933 0.002777 -0.067280 0.100826 0.027101 197 C 14 S -0.199625 -0.016240 -0.136400 0.186376 0.034809 198 C 14 S 1.270772 -1.329169 0.230572 -1.275843 -1.215333 199 C 14 X -0.026510 -0.139195 -0.031948 -0.030479 -0.050967 200 C 14 Y 0.178154 -0.012091 -0.035292 -0.046283 -0.116542 201 C 14 Z -0.028304 0.061999 -0.111307 0.049723 -0.121101 202 C 14 X 0.233120 0.028924 0.131588 -0.258511 -0.719911 203 C 14 Y 0.374369 -0.763862 0.288492 -0.054275 0.136701 204 C 14 Z -0.119100 -0.206347 0.543039 -0.291888 0.364243 205 C 14 XX -0.084692 0.098790 0.011167 -0.209007 -0.018936 206 C 14 YY 0.176039 -0.068247 0.028753 0.028316 0.026990 207 C 14 ZZ -0.091347 -0.030542 -0.039920 0.180692 -0.008054 208 C 14 XY -0.083853 0.049037 0.031047 0.050296 0.094886 209 C 14 XZ -0.079105 -0.148687 0.084909 0.069568 -0.044863 210 C 14 YZ -0.022883 -0.101156 0.190060 -0.023716 0.256260 211 F 15 S 0.003337 0.001008 0.001697 0.005233 0.015874 212 F 15 S 0.004550 0.000598 0.009471 0.005997 0.039149 213 F 15 S -0.103685 0.027985 0.014582 -0.000938 -0.022419 214 F 15 X 0.089079 0.047498 -0.050648 -0.031052 -0.072560 215 F 15 Y 0.090454 -0.046394 0.006683 0.036911 -0.007842 216 F 15 Z 0.009993 0.039869 -0.013435 -0.025092 -0.099961 217 F 15 X -0.185551 -0.062212 0.052964 -0.061060 0.122134 218 F 15 Y -0.198159 0.066056 0.001032 -0.076913 0.015797 219 F 15 Z 0.001136 0.016146 -0.041853 0.125965 0.205263 220 F 15 XX 0.004308 -0.002228 0.002590 0.000014 -0.006484 221 F 15 YY 0.006015 -0.004167 0.002068 -0.003233 -0.006246 222 F 15 ZZ -0.010323 0.006395 -0.004657 0.003219 0.012730 223 F 15 XY 0.008731 0.002694 -0.011613 0.009255 0.000407 224 F 15 XZ -0.012377 0.004313 0.001524 -0.017491 0.004120 225 F 15 YZ -0.012819 0.005049 0.008195 -0.017225 0.003056 226 F 16 S -0.019790 -0.006024 0.004527 -0.007019 -0.009403 227 F 16 S -0.043905 -0.016684 0.011071 -0.020691 -0.022264 228 F 16 S -0.034849 0.001829 -0.058252 -0.005392 -0.029315 229 F 16 X 0.135298 -0.031231 -0.092826 0.173240 -0.101833 230 F 16 Y 0.177797 -0.066656 -0.019295 0.002164 -0.081154 231 F 16 Z 0.175422 -0.031481 -0.004092 -0.116450 -0.095088 232 F 16 X -0.226712 0.004842 0.159273 -0.246014 0.183398 233 F 16 Y -0.374882 0.091886 0.031067 0.021378 0.099279 234 F 16 Z -0.203908 0.065284 0.019126 0.197662 0.224037 235 F 16 XX 0.011187 -0.000160 -0.000481 -0.007107 0.000769 236 F 16 YY -0.025156 0.001814 0.005363 0.008477 0.010522 237 F 16 ZZ 0.013969 -0.001654 -0.004882 -0.001370 -0.011291 238 F 16 XY -0.003186 -0.006443 0.001231 0.003301 0.005456 239 F 16 XZ 0.013486 -0.000830 -0.004141 -0.002908 -0.006187 240 F 16 YZ 0.016605 0.002137 0.006433 0.008984 0.016617 241 F 17 S -0.017361 -0.014932 0.000678 0.007886 0.010836 242 F 17 S -0.051616 -0.034879 -0.001263 0.017419 0.024360 243 F 17 S -0.057241 -0.006706 0.053777 -0.015950 0.060740 244 F 17 X 0.009115 -0.041505 -0.028129 0.130171 -0.133691 245 F 17 Y -0.085715 0.020139 0.041208 0.009228 0.036694 246 F 17 Z -0.071381 -0.042607 0.008213 -0.158584 -0.007675 247 F 17 X -0.087011 0.049986 0.035993 -0.191342 0.224239 248 F 17 Y 0.086999 0.065043 -0.132463 -0.062630 -0.139538 249 F 17 Z 0.049553 0.113034 -0.089542 0.231194 -0.076404 250 F 17 XX 0.006563 0.002694 -0.004036 -0.000858 -0.002989 251 F 17 YY -0.014158 -0.000539 0.001767 0.011842 0.001342 252 F 17 ZZ 0.007595 -0.002155 0.002269 -0.010985 0.001647 253 F 17 XY 0.007986 0.004380 -0.004711 0.004295 -0.003803 254 F 17 XZ 0.008415 -0.004779 -0.003255 0.000444 -0.008306 255 F 17 YZ -0.011125 -0.008844 0.008246 -0.001758 0.017124 256 F 18 S -0.004818 -0.000307 -0.012072 0.001781 -0.018715 257 F 18 S -0.016904 0.000370 -0.029778 0.006210 -0.045551 258 F 18 S -0.044008 0.049065 -0.049058 0.103331 0.021963 259 F 18 X 0.255295 -0.133264 0.084767 -0.058502 -0.029178 260 F 18 Y -0.082332 -0.112576 0.002307 0.028858 0.052064 261 F 18 Z 0.067097 -0.101680 0.098131 -0.024047 0.102896 262 F 18 X -0.361534 0.199306 -0.122378 0.034163 0.115334 263 F 18 Y 0.108952 0.205724 -0.038054 -0.058203 -0.138958 264 F 18 Z -0.065410 0.193156 -0.233531 0.056351 -0.226347 265 F 18 XX 0.000189 -0.011856 0.006568 0.000787 0.000470 266 F 18 YY 0.001281 -0.007013 0.011975 -0.003644 0.013847 267 F 18 ZZ -0.001470 0.018869 -0.018542 0.002857 -0.014317 268 F 18 XY -0.000853 -0.007028 0.006749 0.001873 0.007465 269 F 18 XZ -0.003697 0.012098 0.003715 -0.013635 0.019861 270 F 18 YZ 0.011698 0.004376 0.001086 -0.002671 -0.008707 271 C 19 S -0.081393 0.013933 0.022117 0.014712 0.135688 272 C 19 S -0.135857 0.030265 0.031610 0.025619 0.255963 273 C 19 S 1.009801 -0.157224 -0.257693 -0.109980 -1.227755 274 C 19 X -0.032846 -0.008656 0.023175 0.015467 0.007845 275 C 19 Y -0.083802 -0.009270 0.047798 0.007542 0.005537 276 C 19 Z -0.021814 -0.010646 0.023916 0.014417 0.004912 277 C 19 X 0.122098 -0.210048 -0.488840 -0.292217 0.263920 278 C 19 Y -0.401469 0.089396 0.260762 0.136634 0.363756 279 C 19 Z -0.054099 0.027945 -0.011797 -0.025957 0.022108 280 C 19 XX 0.025397 0.029370 -0.009162 0.011081 0.042933 281 C 19 YY 0.051419 -0.049728 -0.085755 -0.060749 -0.046236 282 C 19 ZZ -0.076816 0.020358 0.094916 0.049668 0.003303 283 C 19 XY -0.060324 0.107745 0.153398 0.114422 -0.027661 284 C 19 XZ 0.012271 0.011330 0.017020 0.024468 0.017898 285 C 19 YZ -0.017696 0.058026 0.025990 0.025830 0.048778 286 H 20 S -0.205129 0.062149 0.195435 0.102407 0.054287 287 H 20 S -0.074096 0.053145 0.133490 0.083743 0.038003 288 H 20 X -0.046484 0.005898 0.052186 0.009004 -0.024635 289 H 20 Y -0.085914 -0.016861 0.076370 -0.046304 -0.020340 290 H 20 Z 0.013286 0.040031 0.032675 -0.002078 0.028135 291 H 21 S -0.090351 0.032570 0.013139 0.010700 0.138811 292 H 21 S 0.025515 -0.019264 -0.075419 -0.054766 -0.000549 293 H 21 X 0.020773 0.063838 0.073156 0.086247 0.031726 294 H 21 Y 0.022370 0.057651 0.075543 0.052290 0.027832 295 H 21 Z 0.029624 0.014408 0.025879 0.001302 0.005153 296 C 22 S 0.014484 -0.269803 0.027469 -0.082597 -0.015978 297 C 22 S 0.017549 -0.475229 0.038235 -0.161636 -0.014164 298 C 22 S -0.439721 3.436199 -0.709657 0.565874 0.604295 299 C 22 X 0.018883 -0.097904 0.033295 0.011098 -0.040483 300 C 22 Y -0.037536 0.180619 -0.061264 -0.009675 0.072514 301 C 22 Z -0.004581 0.044858 -0.008341 -0.011564 0.001879 302 C 22 X -0.071230 -0.617113 -0.425446 -0.687784 -0.019383 303 C 22 Y -0.257012 1.081625 -0.515492 -0.117717 0.157224 304 C 22 Z 0.005074 0.047241 0.038484 0.075942 0.064156 305 C 22 XX 0.038495 -0.003877 0.174336 0.190066 0.009857 306 C 22 YY -0.010675 0.073431 -0.080795 -0.055371 -0.034736 307 C 22 ZZ -0.027820 -0.069554 -0.093541 -0.134695 0.024879 308 C 22 XY -0.017498 -0.058156 -0.053618 -0.072091 0.061541 309 C 22 XZ 0.007954 0.056306 -0.016753 -0.031863 -0.016019 310 C 22 YZ 0.005396 -0.033959 0.035857 0.043338 0.031177 311 H 23 S -0.001804 -0.260168 -0.064135 -0.169317 -0.066016 312 H 23 S -0.081693 -0.055945 -0.167928 -0.201592 0.043468 313 H 23 X -0.032229 -0.002315 -0.040793 0.033974 0.005490 314 H 23 Y 0.032190 -0.005590 0.040081 -0.027840 0.018976 315 H 23 Z -0.013553 0.046420 -0.013318 -0.019036 -0.034231 316 H 24 S 0.026715 -0.276428 0.087288 0.029487 -0.037383 317 H 24 S 0.011563 0.014302 0.060364 0.039638 -0.023384 318 H 24 X 0.007215 -0.025616 0.039264 0.065283 -0.004668 319 H 24 Y -0.026831 0.054110 -0.026995 -0.018529 -0.020913 320 H 24 Z -0.014186 0.025960 -0.028434 -0.029772 -0.005223 321 H 25 S 0.046255 -0.171479 0.097938 0.020275 -0.054808 322 H 25 S 0.014529 -0.085161 0.076183 0.077342 0.016823 323 H 25 X 0.002164 0.065592 0.021656 0.030382 -0.014361 324 H 25 Y 0.031539 -0.185146 0.039773 0.074311 0.044637 325 H 25 Z -0.001973 0.021191 0.015606 0.010579 0.005433 326 C 26 S 0.235023 0.383215 -0.000384 0.063198 0.105315 327 C 26 S 0.468047 0.739582 0.021087 0.112988 0.212169 328 C 26 S -1.366063 -2.431838 1.024329 -0.163369 -0.682013 329 C 26 X -0.023823 0.001819 -0.021803 -0.018692 -0.011475 330 C 26 Y 0.022841 -0.001326 -0.042064 -0.003934 0.036886 331 C 26 Z 0.057892 0.072093 0.122307 -0.045022 0.036141 332 C 26 X 0.196564 0.041696 -0.084430 0.167647 -0.173205 333 C 26 Y 0.376542 0.251388 -0.048758 0.035533 0.014765 334 C 26 Z -0.298026 -0.657026 0.512216 0.174733 -0.116162 335 C 26 XX -0.097939 -0.020717 -0.090783 -0.042791 -0.024558 336 C 26 YY 0.049126 0.011685 -0.019329 -0.026223 -0.022544 337 C 26 ZZ 0.048813 0.009032 0.110113 0.069014 0.047101 338 C 26 XY -0.031769 0.007796 -0.062728 -0.047337 0.022163 339 C 26 XZ 0.108399 -0.040665 -0.009921 0.068179 0.020374 340 C 26 YZ -0.035261 0.022270 0.007638 -0.021976 -0.036210 341 H 27 S 0.214861 0.309228 0.007598 0.100046 0.064701 342 H 27 S 0.300455 0.290664 -0.092488 0.129340 -0.031476 343 H 27 X -0.036325 0.048623 0.092359 0.036364 -0.185790 344 H 27 Y 0.038087 -0.053949 -0.122838 -0.028362 0.231449 345 H 27 Z -0.030266 0.020677 -0.005802 -0.088959 -0.112364 346 H 28 S 0.004960 0.255616 -0.044036 0.014696 0.069525 347 H 28 S -0.034265 -0.066325 0.049447 0.080911 0.008375 348 H 28 X 0.026325 -0.047804 -0.092920 -0.022938 0.340541 349 H 28 Y -0.053243 -0.054045 -0.077496 0.002920 0.070975 350 H 28 Z -0.031101 -0.063315 -0.143075 0.011298 0.053832 351 H 29 S 0.236198 0.286321 -0.041945 0.060871 0.156113 352 H 29 S 0.054736 0.094850 0.063935 0.015840 0.097823 353 H 29 X -0.002569 0.002227 0.074919 0.022081 -0.107490 354 H 29 Y -0.081864 0.047092 0.113435 -0.005946 -0.303313 355 H 29 Z 0.007216 -0.049065 0.026287 -0.039160 -0.062089 356 C 30 S -0.121944 -0.288314 -0.152458 -0.028066 -0.056198 357 C 30 S -0.223245 -0.536747 -0.292981 -0.055968 -0.140348 358 C 30 S 1.067445 2.538917 1.691049 0.573501 -0.636134 359 C 30 X -0.003957 0.004041 -0.038467 -0.033883 0.018212 360 C 30 Y 0.002120 -0.044414 0.050103 -0.033039 -0.018443 361 C 30 Z -0.036317 -0.056137 -0.018762 0.000123 0.169521 362 C 30 X -0.098966 -0.102618 -0.092800 -0.199721 0.110364 363 C 30 Y 0.097161 0.003871 0.002161 0.197490 0.180521 364 C 30 Z -0.454306 -0.958235 -0.588839 -0.352980 0.383535 365 C 30 XX 0.061724 -0.037124 0.024436 -0.002660 0.035187 366 C 30 YY -0.064112 -0.046599 -0.043672 -0.032300 0.037995 367 C 30 ZZ 0.002388 0.083723 0.019236 0.034960 -0.073182 368 C 30 XY 0.015332 0.008476 -0.018387 -0.073396 0.039522 369 C 30 XZ 0.051783 0.022357 -0.033597 0.010234 -0.004307 370 C 30 YZ 0.084182 -0.027158 0.059408 0.006600 -0.111202 371 H 31 S 0.073127 -0.191427 -0.044892 0.040221 -0.070255 372 H 31 S -0.018916 -0.009495 -0.036791 0.129012 0.056278 373 H 31 X 0.017638 -0.115945 0.048004 -0.094664 -0.020535 374 H 31 Y -0.027112 0.050342 0.010543 -0.105705 -0.020967 375 H 31 Z 0.027848 0.105551 0.098540 -0.106168 -0.107264 376 H 32 S -0.137735 -0.196433 -0.220824 -0.133451 0.045893 377 H 32 S -0.023052 -0.127354 0.005217 -0.016986 -0.063604 378 H 32 X 0.019895 0.001884 -0.001663 0.138841 -0.032922 379 H 32 Y -0.011890 0.110733 -0.026232 0.092012 -0.002503 380 H 32 Z 0.038793 -0.030896 -0.059610 0.129873 -0.003895 381 H 33 S -0.162230 -0.225864 -0.113831 0.053478 -0.059623 382 H 33 S 0.007702 -0.033923 -0.026839 -0.038097 -0.044162 383 H 33 X 0.008501 0.029687 -0.016730 0.102504 0.003234 384 H 33 Y -0.039819 -0.045434 0.040415 -0.143675 -0.017797 385 H 33 Z 0.037198 0.072143 -0.025004 0.099284 -0.063372 386 H 34 S -0.028244 -0.029961 -0.037673 -0.024065 0.096061 387 H 34 S 0.001922 -0.037459 -0.022986 -0.019163 0.023938 388 H 34 X -0.010644 0.034128 -0.022402 0.037080 -0.031601 389 H 34 Y -0.003688 -0.042551 -0.090933 -0.012626 -0.056341 390 H 34 Z 0.012861 0.035276 0.042544 0.013892 0.006179 391 F 35 S 0.033078 0.000952 0.008773 -0.006731 -0.012039 392 F 35 S 0.088880 -0.005339 0.025903 -0.021764 -0.029675 393 F 35 S 0.005931 -0.097490 0.062259 -0.082670 0.070590 394 F 35 X 0.160532 -0.144594 0.041937 -0.048773 0.019596 395 F 35 Y -0.127846 0.051191 -0.148777 0.011648 -0.117905 396 F 35 Z 0.064872 -0.100806 -0.244262 0.156960 -0.100752 397 F 35 X -0.216605 0.143670 -0.054060 0.069282 -0.037293 398 F 35 Y 0.231011 -0.082295 0.281885 -0.075637 0.165433 399 F 35 Z -0.078035 0.152063 0.438470 -0.318725 0.202529 400 F 35 XX 0.022215 -0.010419 0.000623 -0.002773 -0.008521 401 F 35 YY -0.017659 0.000185 -0.009137 0.004945 0.001862 402 F 35 ZZ -0.004557 0.010234 0.008514 -0.002173 0.006659 403 F 35 XY -0.011879 0.002653 -0.015539 0.016357 0.002367 404 F 35 XZ -0.006433 -0.002118 -0.029182 0.025680 -0.014849 405 F 35 YZ 0.009506 -0.000956 0.005691 -0.003304 0.002622 406 F 36 S 0.005284 -0.013844 -0.029927 0.004183 -0.015274 407 F 36 S 0.018499 -0.035409 -0.070197 0.004218 -0.040605 408 F 36 S 0.070306 0.026911 0.035267 -0.008899 -0.030055 409 F 36 X 0.099569 0.136950 0.122834 -0.093592 -0.031437 410 F 36 Y 0.136064 -0.058767 -0.027234 0.134482 0.123271 411 F 36 Z 0.003765 -0.045642 -0.055001 0.056520 -0.023208 412 F 36 X -0.145865 -0.184098 -0.191410 0.133578 0.040231 413 F 36 Y -0.111261 0.067303 0.086835 -0.166859 -0.111043 414 F 36 Z -0.014423 0.045774 0.218852 -0.204819 0.090223 415 F 36 XX -0.008119 0.006958 0.009613 -0.004849 0.003935 416 F 36 YY 0.002750 -0.002048 0.008689 -0.001398 0.008779 417 F 36 ZZ 0.005370 -0.004910 -0.018302 0.006247 -0.012714 418 F 36 XY 0.006739 -0.003810 0.006859 0.000002 0.006602 419 F 36 XZ 0.008370 0.004914 0.012678 -0.010652 -0.002199 420 F 36 YZ -0.011847 0.002267 -0.008735 -0.003088 -0.013442 421 C 37 S -0.012642 -0.082355 0.053618 0.001060 -0.058152 422 C 37 S -0.024717 -0.163415 0.100730 -0.018531 -0.110701 423 C 37 S 1.457278 1.232173 -2.351113 -0.838605 0.635062 424 C 37 X -0.045183 -0.012991 0.020444 0.041870 -0.019123 425 C 37 Y -0.062981 -0.034932 -0.019693 -0.007989 0.020546 426 C 37 Z 0.025020 0.089485 -0.035248 -0.053681 0.000022 427 C 37 X 0.004579 -0.739014 0.415180 0.314888 -0.330849 428 C 37 Y 0.481635 0.655125 -0.029405 0.318556 0.301173 429 C 37 Z -0.056467 -0.091818 0.043200 -0.023502 -0.224846 430 C 37 XX -0.187597 -0.089464 0.116987 -0.028565 0.011407 431 C 37 YY 0.050555 -0.045869 -0.105455 -0.058189 0.044980 432 C 37 ZZ 0.137042 0.135332 -0.011532 0.086754 -0.056388 433 C 37 XY 0.005760 -0.167963 -0.123168 -0.156123 -0.043436 434 C 37 XZ 0.041763 0.089474 0.007893 -0.019266 0.117658 435 C 37 YZ -0.034049 0.056224 0.001664 0.020397 0.103468 436 S 38 S 0.017248 -0.040989 -0.062294 -0.023273 0.016709 437 S 38 S 0.115199 -0.289179 -0.437376 -0.156895 0.116934 438 S 38 S 0.105397 -0.339359 -0.501274 -0.148488 0.135476 439 S 38 S -1.658243 1.333601 2.967973 1.366869 -1.026186 440 S 38 X 0.004632 0.012280 0.031996 0.028322 -0.011460 441 S 38 Y 0.073878 -0.000777 -0.063929 -0.042406 0.026315 442 S 38 Z 0.003099 0.004400 -0.001953 0.000697 -0.002159 443 S 38 X 0.015596 0.062091 0.148827 0.130223 -0.058925 444 S 38 Y 0.265584 -0.008083 -0.239907 -0.162971 0.084776 445 S 38 Z 0.026593 0.019267 -0.010414 -0.000998 -0.019527 446 S 38 X -0.450692 0.355396 0.669513 0.315579 -0.043347 447 S 38 Y 0.375986 -0.361804 -0.832672 -0.377131 0.400876 448 S 38 Z 0.050848 0.094635 -0.047866 -0.018606 0.053494 449 S 38 XX 0.014026 0.167288 0.105192 0.079128 0.017451 450 S 38 YY -0.033399 -0.038666 0.060478 0.017179 -0.037648 451 S 38 ZZ 0.019373 -0.128622 -0.165670 -0.096307 0.020197 452 S 38 XY -0.016702 0.036829 -0.033810 -0.000260 0.005661 453 S 38 XZ -0.012871 -0.015904 0.002166 0.019594 -0.033217 454 S 38 YZ -0.086901 -0.079186 0.043439 0.027191 0.014429 455 S 38 XX 0.001541 0.019520 0.014874 0.007506 0.003998 456 S 38 YY 0.004414 -0.004700 0.002430 -0.001645 -0.004027 457 S 38 ZZ -0.005955 -0.014820 -0.017304 -0.005861 0.000030 458 S 38 XY -0.004820 0.002603 -0.000512 0.001030 0.000929 459 S 38 XZ -0.002310 -0.003432 -0.000160 0.003785 -0.005692 460 S 38 YZ -0.014576 -0.012706 0.006694 0.004271 0.003316 461 H 39 S 0.089235 0.110487 -0.028892 0.013357 0.002578 462 H 39 S -0.137641 0.142929 -0.005297 -0.084485 0.079089 463 H 39 X 0.033376 -0.009636 -0.097026 -0.066313 -0.004037 464 H 39 Y -0.098032 -0.147412 -0.042008 -0.089076 -0.113291 465 H 39 Z -0.055931 -0.049730 0.016076 0.087163 0.107833 286 287 288 289 290 1.7574 1.7704 1.7728 1.7807 1.7891 A A A A A 1 C 1 S 0.008677 0.033559 -0.015603 -0.063166 0.062958 2 C 1 S 0.011975 0.040047 -0.012394 -0.121420 0.078425 3 C 1 S -0.206904 -1.314972 0.620272 0.188854 -1.267822 4 C 1 X 0.043059 0.059804 0.029231 -0.020264 -0.001329 5 C 1 Y 0.015615 0.009582 -0.004441 0.000354 0.002012 6 C 1 Z -0.001879 -0.009546 0.016435 -0.007737 0.019791 7 C 1 X -0.331430 0.044362 -0.079940 1.014653 -0.979282 8 C 1 Y 0.134365 -0.740052 -0.189157 0.103882 -1.099774 9 C 1 Z 0.034835 -0.206226 0.017612 -0.274745 -0.089693 10 C 1 XX -0.024852 0.068466 0.049894 -0.073243 0.093003 11 C 1 YY 0.056994 -0.093907 -0.001745 0.118742 -0.250844 12 C 1 ZZ -0.032142 0.025441 -0.048150 -0.045499 0.157841 13 C 1 XY 0.019342 -0.102915 0.114859 -0.020437 -0.302875 14 C 1 XZ -0.044374 0.207263 -0.084373 0.196353 0.029452 15 C 1 YZ -0.039714 0.024841 0.027010 0.001903 -0.019436 16 C 2 S -0.019486 -0.078481 -0.008615 -0.042520 -0.012129 17 C 2 S -0.028275 -0.147785 -0.038182 -0.060678 -0.051163 18 C 2 S 1.284200 1.197982 -1.440325 1.849806 -0.447629 19 C 2 X 0.023717 -0.071071 0.004989 0.053395 -0.077508 20 C 2 Y 0.021059 0.048541 -0.098681 0.055720 0.038109 21 C 2 Z -0.025848 0.056971 -0.030109 0.066866 0.012552 22 C 2 X -0.519190 0.840204 -0.056039 0.304141 0.516180 23 C 2 Y 0.653603 0.367173 -0.074054 0.258896 -0.180036 24 C 2 Z -0.042390 0.333546 -0.007802 0.337446 0.135771 25 C 2 XX -0.040174 0.133837 -0.024841 0.015645 0.191295 26 C 2 YY 0.065213 -0.133920 0.036815 0.059244 -0.291683 27 C 2 ZZ -0.025039 0.000084 -0.011975 -0.074889 0.100388 28 C 2 XY -0.048307 0.030305 -0.089182 0.086308 0.126484 29 C 2 XZ -0.018890 0.070691 -0.064683 0.059100 -0.022410 30 C 2 YZ -0.014744 0.086762 -0.011961 0.066837 0.049748 31 C 3 S -0.064523 0.087593 -0.082821 0.041042 0.003543 32 C 3 S -0.150501 0.175910 -0.212145 0.087918 0.040325 33 C 3 S -0.224092 -1.590685 -0.568390 -0.340842 1.351105 34 C 3 X -0.117235 0.041528 -0.010672 -0.013886 0.044935 35 C 3 Y -0.138160 -0.140249 0.093144 0.027579 -0.233342 36 C 3 Z -0.066531 0.034985 -0.062728 0.044874 -0.048626 37 C 3 X -0.095595 -0.081347 0.746179 -0.840606 -0.500892 38 C 3 Y 2.117746 0.235583 -1.766634 1.160609 0.222421 39 C 3 Z 0.249516 -0.449893 -0.039767 -0.252668 -0.434958 40 C 3 XX -0.111241 0.108330 -0.064931 0.113987 0.059260 41 C 3 YY 0.046599 -0.047248 0.105405 -0.057104 -0.055343 42 C 3 ZZ 0.064642 -0.061082 -0.040473 -0.056883 -0.003917 43 C 3 XY -0.012243 0.103687 0.031469 0.002173 0.012659 44 C 3 XZ 0.030388 0.096076 -0.209468 -0.018969 -0.071049 45 C 3 YZ -0.035962 0.056233 -0.051238 0.104250 -0.028610 46 C 4 S 0.138567 0.166360 -0.102634 0.077061 -0.116714 47 C 4 S 0.258048 0.283025 -0.194292 0.162392 -0.202158 48 C 4 S -1.911160 -1.494824 0.791034 -0.146429 0.587641 49 C 4 X -0.001184 0.140241 0.057552 -0.010869 0.104647 50 C 4 Y 0.083094 0.018615 -0.098799 0.111326 0.029745 51 C 4 Z -0.029902 0.047588 0.133718 -0.046693 -0.011721 52 C 4 X -0.446505 -1.091984 -0.811735 0.520749 -0.659501 53 C 4 Y -0.845761 -0.082712 0.395434 -0.885122 0.590491 54 C 4 Z 0.201201 -0.701802 0.456678 -1.011708 2.061730 55 C 4 XX -0.040497 -0.018630 0.103906 0.061180 -0.141333 56 C 4 YY 0.002996 0.060431 -0.095682 0.009274 0.034398 57 C 4 ZZ 0.037501 -0.041801 -0.008224 -0.070454 0.106934 58 C 4 XY 0.117448 0.197215 0.070983 0.031731 0.103141 59 C 4 XZ 0.200161 -0.048544 -0.127811 -0.139195 -0.061541 60 C 4 YZ -0.162161 -0.090019 -0.056219 0.004621 0.166277 61 S 5 S -0.021226 -0.020581 0.000047 0.043847 -0.064291 62 S 5 S -0.150372 -0.134803 -0.000848 0.313039 -0.447367 63 S 5 S -0.177834 -0.102077 -0.007537 0.386767 -0.488548 64 S 5 S 0.543450 1.221214 0.247228 -1.401545 2.406002 65 S 5 X 0.002688 -0.044571 -0.008834 0.006991 -0.047272 66 S 5 Y 0.017619 0.003031 0.018786 0.007903 -0.056207 67 S 5 Z -0.006395 0.021364 0.002895 0.000740 -0.004156 68 S 5 X -0.003173 -0.200820 -0.024172 0.038375 -0.230026 69 S 5 Y 0.090816 0.018133 0.085780 0.033329 -0.246268 70 S 5 Z -0.024320 0.086883 0.013513 -0.002147 -0.009395 71 S 5 X -0.230968 -0.440435 -0.028924 0.503397 -0.871118 72 S 5 Y 0.064589 -0.068092 0.123843 0.120318 -0.279033 73 S 5 Z 0.114549 0.113674 0.030735 -0.040678 0.039610 74 S 5 XX 0.023766 0.049539 -0.009425 -0.054549 0.090372 75 S 5 YY 0.069454 0.078246 -0.017545 -0.045771 0.154857 76 S 5 ZZ -0.093220 -0.127785 0.026970 0.100320 -0.245229 77 S 5 XY -0.160519 0.018774 -0.073840 0.029320 0.190592 78 S 5 XZ -0.024296 -0.099158 -0.005022 -0.002343 -0.005732 79 S 5 YZ 0.044127 0.097332 0.013611 -0.013195 -0.014619 80 S 5 XX 0.003031 0.005597 -0.002330 -0.009310 0.012196 81 S 5 YY 0.010602 0.006942 -0.000305 -0.002876 0.011862 82 S 5 ZZ -0.013633 -0.012540 0.002635 0.012187 -0.024058 83 S 5 XY -0.019326 0.004107 -0.007277 0.004804 0.019754 84 S 5 XZ -0.001451 -0.011898 -0.000511 -0.001873 -0.001354 85 S 5 YZ 0.005571 0.013256 0.002331 -0.002068 -0.001316 86 H 6 S -0.058888 0.095948 0.164921 -0.132394 0.101183 87 H 6 S -0.026999 0.157554 0.046376 0.048649 -0.012090 88 H 6 X 0.003704 -0.110530 0.051635 0.043498 -0.103615 89 H 6 Y -0.015877 0.089201 -0.098192 0.011936 0.146619 90 H 6 Z 0.060088 -0.144122 -0.035702 -0.214019 -0.010621 91 C 7 S 0.264519 -0.065226 0.001329 -0.018065 0.064434 92 C 7 S 0.548938 -0.126331 -0.000121 -0.054124 0.131936 93 C 7 S -2.908347 -0.276892 0.544847 -0.889654 0.288069 94 C 7 X 0.038526 0.068822 -0.017714 -0.085583 -0.005631 95 C 7 Y -0.083439 0.023800 0.003736 -0.008163 -0.046329 96 C 7 Z 0.008398 0.020863 0.000023 0.084931 0.003528 97 C 7 X 2.466007 1.029435 0.055293 -0.176974 0.621061 98 C 7 Y 0.259439 0.627495 -0.000207 0.541160 -0.169679 99 C 7 Z -1.043957 -0.130898 0.226203 -0.122462 0.026980 100 C 7 XX 0.036006 -0.002593 0.061188 -0.017139 0.051458 101 C 7 YY 0.043723 0.164071 -0.049996 -0.017234 -0.072140 102 C 7 ZZ -0.079729 -0.161478 -0.011193 0.034373 0.020682 103 C 7 XY -0.084424 -0.077849 0.021152 -0.062545 0.003773 104 C 7 XZ 0.039775 0.091717 -0.016019 0.125178 0.058086 105 C 7 YZ 0.101655 -0.045222 -0.075344 0.018360 0.066714 106 C 8 S 0.056874 -0.094061 -0.003554 -0.057604 0.126634 107 C 8 S 0.106625 -0.162852 -0.016243 -0.096953 0.235630 108 C 8 S -0.984717 1.011961 -0.649774 1.336810 -1.730935 109 C 8 X -0.041365 -0.015349 -0.007613 0.004025 0.007612 110 C 8 Y 0.049358 0.028020 0.019690 0.041414 -0.043598 111 C 8 Z 0.049085 0.031981 0.032382 -0.007408 -0.004391 112 C 8 X 0.594784 -0.113962 -0.333850 0.204896 0.006587 113 C 8 Y 0.170639 0.731829 0.326847 -0.675404 0.253817 114 C 8 Z 0.028176 0.009471 0.222274 -0.178399 0.082832 115 C 8 XX 0.088573 0.201918 -0.012864 0.047646 -0.081113 116 C 8 YY 0.007062 -0.029839 0.038807 0.001298 0.015550 117 C 8 ZZ -0.095635 -0.172079 -0.025943 -0.048944 0.065564 118 C 8 XY -0.095220 -0.018434 0.046613 -0.120274 0.003814 119 C 8 XZ 0.109298 -0.000185 0.063297 -0.069286 -0.001768 120 C 8 YZ -0.106044 0.011270 -0.186010 0.111353 -0.072032 121 C 9 S 0.182899 -0.017627 0.102834 0.020751 0.074297 122 C 9 S 0.305670 -0.037727 0.198261 0.046751 0.154343 123 C 9 S -2.006814 0.026820 -1.294605 0.756025 -0.645879 124 C 9 X -0.133437 -0.049544 0.074885 -0.067626 0.149552 125 C 9 Y -0.018423 -0.084705 0.053704 -0.149130 0.197792 126 C 9 Z -0.067947 -0.086027 -0.004266 0.040210 0.151010 127 C 9 X 1.561443 0.529041 -0.506477 -0.385266 -0.290970 128 C 9 Y -0.910645 -0.226348 -1.058962 1.115882 -1.891582 129 C 9 Z 1.671461 -0.276722 -0.024182 0.133158 -1.309488 130 C 9 XX 0.067168 -0.008818 0.058676 0.052884 -0.092282 131 C 9 YY -0.032057 0.045685 0.064206 -0.086494 0.044655 132 C 9 ZZ -0.035111 -0.036867 -0.122882 0.033611 0.047627 133 C 9 XY 0.097196 0.012740 -0.152377 -0.009748 -0.055263 134 C 9 XZ 0.187919 0.135418 0.250450 -0.089678 0.117686 135 C 9 YZ -0.156676 -0.130246 -0.078799 -0.021689 0.224755 136 C 10 S -0.090936 -0.093422 0.060489 -0.050844 -0.037640 137 C 10 S -0.163823 -0.174319 0.138297 -0.100677 -0.081401 138 C 10 S 3.221912 1.760342 -0.813873 0.961974 0.902148 139 C 10 X -0.153481 -0.029857 -0.073292 -0.004560 0.031649 140 C 10 Y -0.160868 -0.045422 0.012442 0.097646 0.048383 141 C 10 Z -0.074561 0.059430 0.044308 0.029672 0.035419 142 C 10 X 2.265886 0.320661 -0.108329 1.142873 -0.557047 143 C 10 Y 1.929459 1.039060 -0.410535 -1.022622 -0.026350 144 C 10 Z 0.063463 -0.198366 -0.095768 0.101814 -0.092327 145 C 10 XX 0.076248 0.124472 0.000165 -0.073848 0.019296 146 C 10 YY -0.056049 -0.026835 -0.019003 0.076393 -0.012048 147 C 10 ZZ -0.020199 -0.097637 0.018838 -0.002544 -0.007249 148 C 10 XY 0.030580 -0.057570 0.006365 -0.019453 -0.038930 149 C 10 XZ 0.165228 -0.103972 0.022539 -0.025918 0.116902 150 C 10 YZ -0.066187 0.045084 -0.235040 -0.087340 -0.052426 151 C 11 S 0.036888 -0.048086 -0.012121 -0.040742 0.047324 152 C 11 S 0.087452 -0.095866 -0.011980 -0.105803 0.079431 153 C 11 S 0.566724 0.286574 0.963090 -1.121032 -0.762553 154 C 11 X -0.070691 -0.023774 0.188189 -0.054878 0.094529 155 C 11 Y 0.115106 0.092081 -0.112164 0.084344 0.081785 156 C 11 Z -0.032310 -0.035853 -0.021030 -0.017831 -0.048029 157 C 11 X -1.668196 0.639643 0.536224 -0.831117 -1.067030 158 C 11 Y -1.154997 -0.302859 -0.002665 -1.063395 -0.218279 159 C 11 Z -0.321001 0.527904 -0.052018 0.031996 0.067212 160 C 11 XX -0.007972 0.009123 0.065428 0.005787 -0.077030 161 C 11 YY 0.001531 -0.021978 -0.049136 0.044914 0.067290 162 C 11 ZZ 0.006440 0.012855 -0.016292 -0.050700 0.009740 163 C 11 XY 0.071603 -0.075900 0.010911 0.022998 0.043062 164 C 11 XZ 0.121784 0.008273 0.033430 -0.055232 0.111424 165 C 11 YZ 0.039407 -0.138897 -0.149308 -0.224861 -0.003087 166 C 12 S -0.030690 0.039651 -0.144874 -0.106698 0.078784 167 C 12 S -0.070813 0.054177 -0.287198 -0.196341 0.138283 168 C 12 S 0.026488 -0.425598 0.808495 0.657023 -1.212815 169 C 12 X -0.040966 -0.079730 -0.061549 0.007186 -0.042005 170 C 12 Y 0.002295 0.079943 -0.029510 -0.025560 0.022882 171 C 12 Z -0.064396 0.044492 0.072067 -0.036764 -0.040858 172 C 12 X 0.257103 -0.457058 0.457214 0.534400 -0.023846 173 C 12 Y -0.144009 -0.229576 0.070904 0.136980 0.336383 174 C 12 Z 0.325674 -0.298948 -0.293224 0.180400 0.404401 175 C 12 XX -0.075573 -0.040837 -0.172972 0.008934 -0.026742 176 C 12 YY 0.045496 -0.101780 0.043777 0.127032 0.096974 177 C 12 ZZ 0.030077 0.142617 0.129195 -0.135966 -0.070232 178 C 12 XY -0.043570 -0.218782 0.053930 0.028842 0.050436 179 C 12 XZ 0.212028 0.082253 0.156858 -0.235312 0.022278 180 C 12 YZ 0.021805 0.044347 0.010206 -0.153784 -0.005205 181 C 13 S -0.114208 -0.091769 0.193904 -0.035994 -0.046123 182 C 13 S -0.208027 -0.159167 0.368084 -0.059162 -0.098149 183 C 13 S 0.888252 0.242928 -1.324658 -0.036705 0.534130 184 C 13 X -0.050924 0.063846 0.055848 0.008247 0.005176 185 C 13 Y -0.102957 0.066639 0.011606 -0.025616 0.002690 186 C 13 Z 0.085201 -0.071003 -0.117763 0.052904 -0.000925 187 C 13 X 0.629756 -0.025550 -0.632938 0.057064 0.084558 188 C 13 Y 0.414096 -0.454531 0.303169 0.783216 0.415468 189 C 13 Z -0.155360 0.477687 0.350972 -0.067762 0.028907 190 C 13 XX 0.099036 -0.051731 -0.153883 0.120392 -0.037632 191 C 13 YY -0.085701 -0.119726 0.012979 0.003184 0.103548 192 C 13 ZZ -0.013336 0.171457 0.140903 -0.123577 -0.065916 193 C 13 XY -0.099312 0.164824 0.061073 -0.017430 0.021832 194 C 13 XZ 0.032408 0.107634 0.163733 0.060982 -0.097818 195 C 13 YZ -0.042676 -0.007092 -0.151130 -0.395393 -0.047197 196 C 14 S 0.081629 -0.102112 -0.094132 0.121166 0.094218 197 C 14 S 0.134123 -0.184562 -0.176757 0.228714 0.187689 198 C 14 S -1.790475 0.464103 1.088749 -0.613413 -0.740756 199 C 14 X -0.018194 -0.052237 -0.045091 0.080288 0.016629 200 C 14 Y -0.072639 0.005126 -0.027901 -0.065218 0.036228 201 C 14 Z -0.105517 0.071859 0.068080 0.047624 -0.058637 202 C 14 X -0.877446 0.534709 -0.160478 -0.966384 -0.413803 203 C 14 Y -0.173025 0.211514 0.542163 0.232541 -0.196909 204 C 14 Z 0.412413 -0.461579 -0.473063 -0.350158 0.093237 205 C 14 XX -0.028934 -0.186282 -0.132883 0.126668 0.054734 206 C 14 YY 0.010635 0.024050 -0.023006 -0.211200 0.017757 207 C 14 ZZ 0.018298 0.162232 0.155889 0.084532 -0.072490 208 C 14 XY 0.077331 0.161435 0.118807 0.110082 0.049558 209 C 14 XZ 0.161207 0.046456 0.173032 0.044772 0.085903 210 C 14 YZ 0.075437 -0.117698 -0.182409 -0.091669 -0.007636 211 F 15 S -0.025074 -0.005917 -0.001575 -0.020766 -0.019473 212 F 15 S -0.064669 -0.011580 -0.006324 -0.057631 -0.046229 213 F 15 S 0.010728 0.091618 0.003915 -0.030312 0.052510 214 F 15 X 0.221598 -0.196059 -0.011307 0.104425 0.060772 215 F 15 Y 0.042576 -0.059749 0.032957 0.040562 -0.028424 216 F 15 Z 0.145414 -0.112738 -0.010945 0.131502 0.072523 217 F 15 X -0.376129 0.298291 -0.084784 -0.096082 -0.092797 218 F 15 Y -0.057556 0.087915 -0.057182 -0.010481 0.023891 219 F 15 Z -0.248362 0.192288 0.044897 -0.163159 -0.171629 220 F 15 XX 0.021142 -0.002558 0.003479 -0.005715 0.007201 221 F 15 YY 0.002667 -0.008321 0.004415 0.012229 0.003481 222 F 15 ZZ -0.023809 0.010879 -0.007895 -0.006514 -0.010682 223 F 15 XY 0.005419 0.001091 0.000194 -0.002723 0.001207 224 F 15 XZ -0.019343 0.001949 -0.020731 0.021391 -0.003511 225 F 15 YZ -0.002148 -0.005334 -0.007101 0.013063 0.004500 226 F 16 S -0.003116 0.011742 -0.007363 -0.011008 0.015121 227 F 16 S -0.008788 0.028778 -0.029845 -0.036379 0.041915 228 F 16 S 0.060274 -0.013624 -0.133326 -0.049909 0.039721 229 F 16 X 0.001135 0.059375 0.104488 -0.136711 -0.028830 230 F 16 Y -0.043394 -0.057442 0.237669 0.090501 -0.015217 231 F 16 Z 0.101541 -0.162944 -0.054427 0.082737 0.163855 232 F 16 X 0.000706 -0.009940 -0.211233 0.131451 0.030876 233 F 16 Y 0.102349 0.134037 -0.258170 -0.076352 -0.025303 234 F 16 Z -0.160652 0.259577 0.089879 -0.180224 -0.272824 235 F 16 XX -0.010594 -0.007566 0.010438 0.004778 -0.003129 236 F 16 YY 0.008185 0.019047 -0.009769 -0.014972 -0.005777 237 F 16 ZZ 0.002409 -0.011480 -0.000669 0.010194 0.008906 238 F 16 XY 0.006967 0.008461 0.000265 -0.001772 -0.003350 239 F 16 XZ 0.003773 -0.016932 0.003389 0.004543 0.008958 240 F 16 YZ -0.003537 0.000020 0.019627 -0.002056 -0.013819 241 F 17 S 0.013357 -0.003853 -0.003916 0.007407 0.017520 242 F 17 S 0.039349 -0.021824 -0.011852 0.027204 0.047191 243 F 17 S 0.102088 -0.104077 -0.049318 0.053690 0.004079 244 F 17 X -0.014106 -0.010377 0.069286 -0.071435 -0.114367 245 F 17 Y 0.039549 -0.036503 0.058946 0.198879 0.101176 246 F 17 Z 0.050496 -0.074585 -0.155356 -0.138131 0.089443 247 F 17 X 0.097202 0.000846 -0.039490 0.204051 0.209318 248 F 17 Y -0.050563 -0.051481 -0.136483 -0.263540 -0.092834 249 F 17 Z -0.106492 0.137489 0.274159 0.308055 -0.142905 250 F 17 XX -0.008125 -0.004719 -0.000884 -0.001900 -0.009064 251 F 17 YY 0.004509 0.011151 0.013600 0.024430 -0.000678 252 F 17 ZZ 0.003616 -0.006432 -0.012716 -0.022530 0.009742 253 F 17 XY -0.009016 -0.005027 -0.008291 -0.007137 -0.006292 254 F 17 XZ -0.010695 -0.009600 -0.015175 -0.014998 -0.008054 255 F 17 YZ 0.013861 -0.011596 -0.008774 0.003878 0.012266 256 F 18 S -0.018704 -0.010202 0.017683 0.023993 -0.017143 257 F 18 S -0.044407 -0.032025 0.040035 0.065214 -0.039413 258 F 18 S 0.025583 0.059552 -0.030065 0.032057 0.054028 259 F 18 X -0.009847 0.022732 -0.131084 -0.167279 -0.076103 260 F 18 Y -0.016117 0.086043 0.038651 0.050238 0.051640 261 F 18 Z 0.072868 0.046024 -0.079542 -0.159371 -0.001733 262 F 18 X 0.033497 -0.123124 0.123945 0.291310 0.120761 263 F 18 Y 0.027882 -0.158864 -0.076375 -0.079024 -0.032435 264 F 18 Z -0.187816 0.039485 0.206768 0.252267 -0.048981 265 F 18 XX 0.011548 0.003740 0.001484 -0.005089 0.004223 266 F 18 YY 0.002579 -0.004125 -0.012065 -0.013991 -0.001496 267 F 18 ZZ -0.014127 0.000385 0.010581 0.019080 -0.002727 268 F 18 XY 0.006796 0.002535 0.007287 0.004292 0.002169 269 F 18 XZ 0.001015 -0.012492 -0.014267 0.005322 0.002524 270 F 18 YZ 0.004144 0.000501 0.008613 -0.008729 0.001441 271 C 19 S -0.013409 0.098307 -0.045088 0.055075 -0.066823 272 C 19 S -0.019959 0.178733 -0.089199 0.112320 -0.120408 273 C 19 S 0.011527 -1.047745 0.239191 -0.197803 0.570258 274 C 19 X -0.019467 0.013994 0.017784 -0.015419 -0.011720 275 C 19 Y -0.004178 0.040394 0.014451 -0.029064 -0.025051 276 C 19 Z -0.007391 0.005560 0.017913 -0.012946 0.005424 277 C 19 X -0.097997 0.495233 0.077897 -0.040797 -0.181757 278 C 19 Y 0.051313 0.238998 -0.180246 0.169996 -0.190115 279 C 19 Z -0.050127 0.047838 -0.215206 0.128188 -0.054201 280 C 19 XX 0.065555 0.062805 -0.019812 0.076061 -0.021952 281 C 19 YY -0.037407 -0.002663 0.067726 -0.103720 0.022319 282 C 19 ZZ -0.028147 -0.060142 -0.047914 0.027659 -0.000367 283 C 19 XY -0.001672 -0.122578 -0.011423 -0.053219 0.061649 284 C 19 XZ 0.045587 -0.010544 0.077175 -0.049313 0.019271 285 C 19 YZ -0.067563 -0.003137 -0.016965 0.021178 0.025929 286 H 20 S -0.050654 -0.069274 -0.053223 -0.032286 -0.003038 287 H 20 S 0.046888 -0.039482 -0.035208 0.099570 -0.013272 288 H 20 X -0.004170 -0.032515 -0.000145 -0.031565 0.014411 289 H 20 Y 0.057942 0.063014 -0.003533 0.001294 -0.045053 290 H 20 Z 0.033538 0.023634 0.076160 -0.030448 -0.004093 291 H 21 S -0.082551 0.111545 -0.070626 0.069652 -0.055449 292 H 21 S 0.007390 0.040115 -0.035223 0.012736 -0.030832 293 H 21 X 0.023525 -0.074970 0.067915 -0.046674 0.073631 294 H 21 Y 0.013475 -0.024165 0.105751 -0.059818 0.046795 295 H 21 Z 0.030406 0.006464 0.091222 -0.052297 0.010245 296 C 22 S -0.065269 0.028047 0.031350 0.019482 0.034992 297 C 22 S -0.123445 0.057238 0.061614 0.024056 0.071346 298 C 22 S 0.512838 -0.273992 -0.332438 -0.438211 -0.225342 299 C 22 X 0.010402 -0.014689 0.004876 0.027000 -0.035609 300 C 22 Y -0.005959 0.004979 0.011131 -0.052420 -0.010419 301 C 22 Z -0.009366 -0.004612 0.008694 -0.010213 -0.000836 302 C 22 X -0.106841 0.207005 0.071209 -0.259461 0.699016 303 C 22 Y 0.233747 0.084771 -0.196845 -0.313864 0.449275 304 C 22 Z 0.021180 0.146597 -0.070066 0.171108 0.015093 305 C 22 XX 0.017721 -0.097153 0.036028 0.112977 -0.313563 306 C 22 YY -0.000661 0.114109 -0.044480 -0.058341 0.211686 307 C 22 ZZ -0.017060 -0.016957 0.008451 -0.054636 0.101877 308 C 22 XY -0.017158 0.016872 0.080768 -0.064169 0.009597 309 C 22 XZ -0.029018 0.104221 -0.016188 0.061221 -0.004313 310 C 22 YZ 0.001855 0.030139 -0.023198 0.052725 0.038515 311 H 23 S -0.037065 0.038602 -0.039736 -0.013833 0.209506 312 H 23 S 0.023495 0.088218 0.002851 -0.111211 0.263663 313 H 23 X 0.043948 -0.061749 0.029648 0.019491 -0.174760 314 H 23 Y -0.053045 0.057142 0.007523 -0.020652 0.114775 315 H 23 Z -0.012427 -0.038145 0.017663 -0.052567 0.007348 316 H 24 S -0.013355 -0.063125 0.029554 -0.009310 -0.019070 317 H 24 S -0.020404 -0.049571 0.028702 0.021588 -0.119552 318 H 24 X 0.021387 -0.010505 -0.031096 0.050268 -0.039659 319 H 24 Y -0.004797 -0.155258 0.102007 -0.036882 -0.226345 320 H 24 Z -0.004325 -0.040059 0.039674 -0.064447 0.014436 321 H 25 S -0.059490 0.117126 -0.013636 0.147569 -0.045850 322 H 25 S 0.028237 -0.020375 -0.000986 0.069387 -0.108165 323 H 25 X 0.006064 -0.027748 0.012443 0.013146 -0.062808 324 H 25 Y 0.015028 -0.013320 0.004493 0.114647 -0.182986 325 H 25 Z -0.001451 -0.063902 0.027336 -0.024555 -0.033490 326 C 26 S -0.078230 0.135494 -0.002586 -0.007587 0.033064 327 C 26 S -0.114722 0.264511 0.011480 -0.018044 0.048675 328 C 26 S 1.696293 -0.805455 0.239827 0.083210 -0.966528 329 C 26 X 0.015977 0.015785 0.076690 -0.027817 0.021971 330 C 26 Y 0.014739 -0.029227 0.044598 -0.023843 0.017344 331 C 26 Z 0.183467 0.063003 0.116476 -0.024347 -0.114283 332 C 26 X -0.431403 -0.243288 0.026393 0.240740 0.124196 333 C 26 Y 0.342627 0.142176 0.172987 -0.160676 0.194110 334 C 26 Z 0.615467 -0.421383 -0.021348 -0.032587 -0.335732 335 C 26 XX -0.128713 0.014956 0.000710 0.060002 -0.063270 336 C 26 YY 0.012918 0.062886 0.041237 -0.076700 -0.003244 337 C 26 ZZ 0.115795 -0.077842 -0.041947 0.016698 0.066513 338 C 26 XY 0.112088 0.043848 -0.130682 -0.025811 -0.086899 339 C 26 XZ -0.077859 -0.037313 -0.036628 0.087366 -0.008639 340 C 26 YZ 0.079515 0.001595 0.058109 -0.043976 0.019073 341 H 27 S -0.174213 0.005639 0.126312 0.002184 0.179201 342 H 27 S -0.059762 0.030348 -0.131449 0.005614 0.016697 343 H 27 X 0.015886 -0.015720 0.009115 -0.086999 0.019247 344 H 27 Y -0.032337 0.059547 -0.029088 0.071547 -0.049115 345 H 27 Z 0.009107 0.024846 -0.104379 0.079048 -0.176799 346 H 28 S -0.087744 0.014841 -0.041278 0.001742 0.005685 347 H 28 S -0.221197 -0.094056 -0.057061 0.028817 -0.032298 348 H 28 X 0.037589 0.100627 -0.053101 0.080711 -0.068930 349 H 28 Y -0.071617 -0.015779 -0.037993 -0.006566 0.062643 350 H 28 Z -0.140453 -0.023740 -0.019115 -0.029713 0.150134 351 H 29 S 0.024616 0.135903 -0.107555 -0.081294 0.031083 352 H 29 S 0.139158 0.092092 0.059418 -0.063644 -0.030641 353 H 29 X 0.008480 0.002702 -0.016033 -0.017159 -0.006426 354 H 29 Y -0.075138 -0.061763 0.006462 -0.087857 -0.004354 355 H 29 Z 0.036118 0.151993 0.103434 0.050700 -0.006594 356 C 30 S 0.194704 -0.169788 0.020516 -0.233192 0.031373 357 C 30 S 0.392243 -0.303440 0.027152 -0.437407 0.010840 358 C 30 S -0.668211 1.669953 -0.569889 1.879757 -1.668908 359 C 30 X -0.029195 0.008087 0.022609 -0.002178 0.051051 360 C 30 Y 0.009870 0.009969 0.025562 0.013896 -0.004887 361 C 30 Z -0.110383 -0.093617 0.051121 -0.038672 0.229290 362 C 30 X 0.394880 0.370575 0.270056 -0.190847 0.150164 363 C 30 Y 0.116941 -0.220071 -0.092228 0.140771 0.378457 364 C 30 Z -0.095885 -0.543830 0.400209 -0.534730 0.707260 365 C 30 XX -0.020128 -0.063504 0.047923 0.055369 0.128839 366 C 30 YY -0.041932 0.011614 0.036690 -0.067937 0.018614 367 C 30 ZZ 0.062060 0.051890 -0.084614 0.012568 -0.147453 368 C 30 XY 0.126335 0.143424 0.094667 -0.001960 0.065471 369 C 30 XZ -0.036817 -0.072103 -0.040602 0.035611 -0.049839 370 C 30 YZ -0.031384 0.076003 -0.059741 0.091120 -0.045963 371 H 31 S 0.133934 -0.117619 -0.037105 -0.024979 0.119833 372 H 31 S 0.075327 -0.134102 -0.121673 -0.033030 0.120583 373 H 31 X -0.224196 -0.157947 0.135733 -0.015485 -0.080196 374 H 31 Y 0.093175 -0.006661 0.026411 -0.055491 -0.058524 375 H 31 Z 0.198608 0.054296 -0.043340 -0.002250 -0.119678 376 H 32 S 0.224506 0.002909 0.083653 -0.229935 0.061108 377 H 32 S 0.207515 0.022037 0.093522 -0.210092 -0.045826 378 H 32 X -0.032976 0.001336 -0.082559 0.029336 0.002499 379 H 32 Y 0.126432 0.074740 -0.137735 0.011264 0.012900 380 H 32 Z -0.152216 0.006853 0.023010 0.033529 0.003807 381 H 33 S -0.041038 -0.252787 -0.078512 -0.226426 -0.022054 382 H 33 S 0.024016 -0.095901 0.027640 -0.046016 -0.084207 383 H 33 X 0.021678 0.001955 -0.088632 0.031289 -0.013454 384 H 33 Y -0.141096 -0.066586 0.138375 -0.064955 -0.022497 385 H 33 Z 0.094368 0.024685 -0.215898 -0.010321 -0.060603 386 H 34 S 0.055586 0.122649 0.075240 -0.037777 -0.069539 387 H 34 S -0.031177 0.045950 0.061693 -0.027696 -0.002793 388 H 34 X -0.050848 -0.097439 -0.090524 0.028254 0.035659 389 H 34 Y -0.077006 -0.076996 -0.066956 0.002089 0.002300 390 H 34 Z 0.057751 0.020389 0.048468 -0.019956 0.005412 391 F 35 S -0.005557 -0.019560 0.004816 -0.003644 -0.011302 392 F 35 S -0.012264 -0.056633 0.018611 -0.012049 -0.030546 393 F 35 S 0.078079 -0.058573 0.011777 0.010242 -0.009622 394 F 35 X 0.111500 -0.107502 0.007806 -0.035596 -0.056482 395 F 35 Y 0.056277 -0.074307 0.063088 0.174916 0.066095 396 F 35 Z 0.180643 0.086354 -0.020513 -0.028588 0.045857 397 F 35 X -0.205989 0.116675 0.119070 0.012803 0.051373 398 F 35 Y -0.129037 0.175416 -0.044940 -0.263864 -0.111132 399 F 35 Z -0.222250 -0.186127 -0.043219 0.083242 -0.076352 400 F 35 XX 0.005683 -0.005063 0.002761 -0.003925 -0.003148 401 F 35 YY -0.004955 -0.000141 -0.002214 0.002199 0.007637 402 F 35 ZZ -0.000728 0.005203 -0.000547 0.001726 -0.004489 403 F 35 XY 0.010240 -0.017594 -0.012750 -0.005418 -0.002235 404 F 35 XZ 0.001466 0.017274 0.002817 -0.008582 0.007589 405 F 35 YZ -0.006745 0.011273 -0.000298 -0.012752 -0.000674 406 F 36 S 0.000469 0.003875 0.018989 -0.014623 0.005163 407 F 36 S -0.005128 0.005349 0.054148 -0.039464 0.014919 408 F 36 S -0.137898 0.027352 0.135006 -0.008558 -0.028227 409 F 36 X -0.073471 0.011410 0.057116 -0.031613 -0.041990 410 F 36 Y 0.162721 -0.212923 0.131356 0.236653 0.111498 411 F 36 Z -0.046813 0.027850 0.159712 -0.016093 0.035317 412 F 36 X 0.077250 0.003955 0.010280 0.042528 0.040618 413 F 36 Y -0.267840 0.356079 -0.231670 -0.506540 -0.201453 414 F 36 Z 0.037475 -0.144362 -0.264565 0.026621 -0.022951 415 F 36 XX 0.008889 -0.004860 -0.018195 0.005348 0.004940 416 F 36 YY 0.000356 -0.002869 -0.010223 -0.005507 -0.004589 417 F 36 ZZ -0.009245 0.007728 0.028419 0.000159 -0.000351 418 F 36 XY -0.001276 0.004047 0.001096 -0.004371 -0.000628 419 F 36 XZ -0.008013 -0.008239 -0.012869 -0.003812 0.003791 420 F 36 YZ 0.011670 -0.014777 0.014437 0.052872 0.011486 421 C 37 S -0.092165 -0.084889 -0.073465 0.084868 -0.062966 422 C 37 S -0.206828 -0.167430 -0.114877 0.166995 -0.116618 423 C 37 S 0.154885 0.441699 1.813900 -1.594648 2.012921 424 C 37 X 0.085720 0.013905 -0.041181 -0.044925 -0.014246 425 C 37 Y 0.062230 0.031260 0.006189 -0.107476 -0.032546 426 C 37 Z -0.119986 0.017023 -0.066705 0.044895 -0.045208 427 C 37 X -0.793144 -0.044325 -0.520189 0.709928 -0.794391 428 C 37 Y 0.335298 -0.051756 0.039236 -0.544305 0.258655 429 C 37 Z -0.234466 0.059423 -0.343622 0.115040 -0.024992 430 C 37 XX -0.061369 0.031048 0.067656 -0.057447 -0.008470 431 C 37 YY 0.026203 0.028231 0.007148 0.071459 -0.080294 432 C 37 ZZ 0.035166 -0.059279 -0.074805 -0.014012 0.088764 433 C 37 XY 0.016291 0.053370 -0.034119 0.094682 -0.068070 434 C 37 XZ 0.113362 0.044362 0.159949 -0.054458 0.016635 435 C 37 YZ -0.019950 -0.009219 -0.014580 0.051807 -0.015116 436 S 38 S -0.042080 0.024833 0.001870 -0.000328 -0.026704 437 S 38 S -0.302054 0.168393 0.014101 -0.004785 -0.187330 438 S 38 S -0.382998 0.160208 0.021486 -0.016515 -0.211838 439 S 38 S 1.167342 -0.985747 -0.151241 -0.178485 0.718193 440 S 38 X -0.018884 -0.031173 0.011243 -0.016948 0.017647 441 S 38 Y 0.001746 0.016601 0.003429 0.004287 0.004804 442 S 38 Z 0.006498 -0.001591 0.005919 -0.001530 -0.000006 443 S 38 X -0.086812 -0.142187 0.046646 -0.076649 0.080467 444 S 38 Y 0.001404 0.083799 0.005312 0.008400 -0.001358 445 S 38 Z 0.030263 -0.004486 0.023597 -0.006203 -0.007206 446 S 38 X 0.157777 -0.253672 -0.160363 0.010211 0.133956 447 S 38 Y -0.388422 0.282902 -0.051846 0.133229 -0.286765 448 S 38 Z 0.105018 0.031860 -0.123081 0.072669 -0.036363 449 S 38 XX 0.004439 -0.099204 -0.026545 -0.035623 0.075496 450 S 38 YY 0.046872 -0.053127 0.021063 0.042488 0.021597 451 S 38 ZZ -0.051311 0.152330 0.005482 -0.006866 -0.097094 452 S 38 XY 0.100742 -0.014035 0.002145 0.032917 -0.013270 453 S 38 XZ 0.021660 -0.022036 -0.017636 -0.003530 -0.006808 454 S 38 YZ -0.029458 -0.026490 0.051617 -0.036466 0.041723 455 S 38 XX 0.001343 -0.011723 -0.005068 -0.001756 0.007633 456 S 38 YY 0.004285 -0.005505 0.002487 0.005968 0.003839 457 S 38 ZZ -0.005627 0.017228 0.002581 -0.004212 -0.011473 458 S 38 XY 0.010050 -0.002364 0.001188 0.003709 -0.003726 459 S 38 XZ 0.003703 -0.003913 -0.002829 -0.000950 -0.001781 460 S 38 YZ -0.002442 -0.004076 0.010649 -0.006994 0.007492 461 H 39 S 0.236316 -0.078237 -0.090865 0.042879 -0.017648 462 H 39 S 0.189580 0.011984 0.057989 -0.227135 0.190817 463 H 39 X 0.056963 0.013384 -0.005055 0.014022 -0.015974 464 H 39 Y -0.041800 -0.062927 -0.036398 -0.020506 -0.117533 465 H 39 Z 0.147352 -0.060501 0.122843 -0.095017 0.112521 291 292 293 294 295 1.7944 1.8043 1.8131 1.8210 1.8269 A A A A A 1 C 1 S -0.025730 -0.052953 -0.126203 0.141823 0.029506 2 C 1 S -0.071856 -0.125194 -0.227081 0.272792 0.078690 3 C 1 S -0.205566 0.928708 2.390627 -0.685776 0.901695 4 C 1 X -0.022400 -0.135313 -0.043281 -0.123646 -0.060670 5 C 1 Y 0.013409 0.060980 -0.043366 0.026154 -0.042909 6 C 1 Z 0.028642 0.012933 -0.013141 0.030662 -0.018260 7 C 1 X -0.398735 -0.101011 -0.234362 -0.205024 -0.310253 8 C 1 Y 0.391423 -0.647464 -0.341170 -0.627565 -0.917436 9 C 1 Z 0.022268 0.075703 -0.085739 0.047921 -0.076006 10 C 1 XX -0.099267 -0.256434 0.068462 -0.056771 0.140729 11 C 1 YY 0.033728 0.145198 -0.002728 -0.094241 -0.147773 12 C 1 ZZ 0.065539 0.111236 -0.065734 0.151013 0.007044 13 C 1 XY -0.054842 -0.253673 -0.054402 -0.171582 -0.112081 14 C 1 XZ -0.037875 -0.013752 0.075664 -0.055416 0.133921 15 C 1 YZ 0.043318 0.084250 -0.021852 -0.000893 0.018759 16 C 2 S 0.069960 0.088443 0.100382 0.002288 -0.056556 17 C 2 S 0.144186 0.162650 0.162229 -0.022633 -0.158959 18 C 2 S -0.311431 -1.670300 -4.082212 -0.351039 -1.075546 19 C 2 X 0.091479 0.192906 0.031979 0.008966 -0.101875 20 C 2 Y 0.006548 -0.159029 -0.089290 -0.039479 -0.079307 21 C 2 Z 0.022585 -0.025009 0.073506 -0.030888 0.066079 22 C 2 X 0.203607 -0.645872 -0.531503 -0.138522 -0.663484 23 C 2 Y -0.131931 -0.523183 -1.363683 -0.184067 -0.345675 24 C 2 Z 0.133939 -0.003698 0.035000 -0.094845 -0.041224 25 C 2 XX -0.007411 0.025287 0.026167 -0.039418 0.063112 26 C 2 YY 0.016155 0.019560 0.015983 -0.097917 -0.082646 27 C 2 ZZ -0.008743 -0.044846 -0.042151 0.137335 0.019534 28 C 2 XY 0.116488 0.281776 0.018173 0.094427 -0.007891 29 C 2 XZ -0.076259 0.010719 0.027793 -0.043051 0.098102 30 C 2 YZ 0.078945 -0.015344 0.009840 -0.034604 -0.116972 31 C 3 S -0.097563 -0.178089 -0.054849 0.127940 0.061554 32 C 3 S -0.165809 -0.333081 -0.110247 0.275555 0.156224 33 C 3 S 4.259332 2.336361 0.582788 -1.397163 -1.650652 34 C 3 X 0.117205 -0.066900 -0.083251 -0.025421 -0.025119 35 C 3 Y 0.037059 -0.104020 0.188374 -0.093976 -0.035101 36 C 3 Z 0.092570 0.014668 0.001592 -0.058472 0.039383 37 C 3 X -3.496017 -0.068303 0.759494 0.864763 3.221872 38 C 3 Y 0.894379 -0.949514 -4.162877 -0.843909 -0.818210 39 C 3 Z -0.429906 -0.056636 -0.156585 0.168991 0.599964 40 C 3 XX 0.111754 0.061609 -0.060275 -0.090059 -0.034520 41 C 3 YY -0.083232 -0.028797 0.007651 0.019751 0.131333 42 C 3 ZZ -0.028522 -0.032812 0.052625 0.070308 -0.096814 43 C 3 XY -0.119511 -0.151464 -0.064496 -0.044867 0.020450 44 C 3 XZ -0.204846 0.016988 -0.031708 -0.034554 0.025947 45 C 3 YZ 0.031683 -0.023742 0.184421 0.015390 0.174365 46 C 4 S 0.152523 0.060943 -0.256758 0.015089 0.078259 47 C 4 S 0.287638 0.141541 -0.457048 0.061694 0.109113 48 C 4 S -1.257984 -0.480655 2.772681 0.634114 -2.345339 49 C 4 X -0.040716 0.141762 -0.229483 -0.063045 0.002245 50 C 4 Y -0.056403 -0.182061 -0.016503 0.010019 0.000247 51 C 4 Z 0.022436 0.092766 0.072439 -0.053832 0.107250 52 C 4 X 0.376895 -1.222950 0.392183 -0.575936 1.163915 53 C 4 Y -1.438158 0.715425 0.181801 0.302374 0.222162 54 C 4 Z -0.069492 -0.525558 0.242656 0.193592 -0.770677 55 C 4 XX 0.059706 0.165166 0.163808 -0.050790 0.103207 56 C 4 YY -0.052973 -0.100707 -0.114034 0.004138 0.002707 57 C 4 ZZ -0.006733 -0.064458 -0.049774 0.046652 -0.105914 58 C 4 XY -0.071689 -0.034277 -0.093813 -0.057275 -0.224168 59 C 4 XZ -0.124583 0.057548 0.104638 0.130921 0.079412 60 C 4 YZ 0.152600 -0.144139 0.029232 0.005294 -0.133589 61 S 5 S -0.005636 -0.008036 0.021664 -0.019143 0.011216 62 S 5 S -0.041391 -0.047210 0.146804 -0.129684 0.082331 63 S 5 S -0.055559 -0.008026 0.141857 -0.126773 0.107653 64 S 5 S -0.142656 0.913493 -0.879377 0.917290 -0.091090 65 S 5 X 0.021634 -0.046381 0.023365 -0.019557 -0.007158 66 S 5 Y 0.000661 -0.003763 -0.023754 -0.036323 -0.035162 67 S 5 Z 0.001592 0.023478 -0.017433 0.001802 0.001273 68 S 5 X 0.084057 -0.183243 0.101933 -0.088887 -0.018683 69 S 5 Y -0.019032 -0.046446 -0.109932 -0.155523 -0.151639 70 S 5 Z 0.006418 0.086196 -0.075037 0.009532 -0.005387 71 S 5 X -0.008129 -0.331691 0.410307 -0.359302 0.080894 72 S 5 Y -0.246675 0.116520 -0.084349 -0.076239 -0.266775 73 S 5 Z -0.098559 0.045936 -0.009433 0.039238 0.008878 74 S 5 XX -0.005609 0.013324 -0.039248 0.015574 -0.042455 75 S 5 YY 0.036481 0.062679 -0.061747 0.079727 -0.004222 76 S 5 ZZ -0.030872 -0.076003 0.100995 -0.095302 0.046677 77 S 5 XY 0.104515 0.050792 0.114503 0.106108 0.168790 78 S 5 XZ 0.041144 -0.026494 0.053123 0.002637 0.010867 79 S 5 YZ -0.006809 0.035767 -0.051420 0.004052 0.003517 80 S 5 XX 0.000524 -0.003287 -0.003697 0.003396 -0.005521 81 S 5 YY 0.004582 0.009918 -0.007240 0.005314 -0.005342 82 S 5 ZZ -0.005106 -0.006631 0.010936 -0.008710 0.010863 83 S 5 XY 0.014544 0.007397 0.012196 0.008811 0.017575 84 S 5 XZ 0.006359 0.000969 0.005062 0.001557 0.002145 85 S 5 YZ -0.000874 0.002690 -0.006077 0.000626 0.001808 86 H 6 S -0.075181 -0.331862 -0.007963 -0.015638 -0.028247 87 H 6 S 0.081213 0.004428 -0.228705 -0.126141 -0.207229 88 H 6 X 0.043524 0.201894 0.053017 0.063386 -0.023291 89 H 6 Y 0.021873 0.043895 0.016029 0.006940 0.062608 90 H 6 Z -0.114596 -0.041022 -0.123050 0.030641 -0.089587 91 C 7 S -0.054750 -0.003033 0.050733 0.050813 -0.103765 92 C 7 S -0.104817 -0.002486 0.086103 0.111305 -0.192995 93 C 7 S 0.069594 -0.515473 -1.065631 -0.622585 1.543534 94 C 7 X 0.078404 -0.009594 -0.058658 0.023039 -0.108640 95 C 7 Y 0.060620 -0.012035 0.117500 -0.092511 -0.003503 96 C 7 Z 0.018158 -0.053070 0.053854 -0.098271 0.026193 97 C 7 X 0.872269 0.563282 2.188936 -0.097005 0.014670 98 C 7 Y -0.184030 0.563484 -1.121222 1.018529 0.265467 99 C 7 Z -0.508615 -0.286131 -0.369252 0.044384 -0.184948 100 C 7 XX 0.001797 0.065884 -0.168788 0.015572 -0.002924 101 C 7 YY 0.011463 0.009783 0.118653 0.003081 0.039062 102 C 7 ZZ -0.013260 -0.075667 0.050135 -0.018653 -0.036138 103 C 7 XY -0.050838 0.081677 -0.019535 -0.029541 0.007108 104 C 7 XZ -0.157261 -0.093251 -0.076413 -0.230112 -0.021076 105 C 7 YZ 0.046217 0.161403 -0.048673 0.089869 0.038717 106 C 8 S -0.092029 -0.103331 0.102474 0.039450 -0.106272 107 C 8 S -0.181961 -0.199680 0.204947 0.092554 -0.235824 108 C 8 S -0.120064 0.768623 -1.775795 0.189874 0.271446 109 C 8 X -0.054567 -0.018107 -0.011287 0.024820 -0.062488 110 C 8 Y 0.052836 -0.000637 0.086157 0.005391 0.004748 111 C 8 Z 0.018253 0.011901 0.027592 -0.015383 0.005012 112 C 8 X -0.756107 1.006825 0.010694 -0.336721 0.676063 113 C 8 Y 0.853495 0.577072 -0.044565 0.037386 0.846071 114 C 8 Z 0.055891 0.213727 0.092972 -0.053804 0.089787 115 C 8 XX 0.381643 -0.161094 0.103032 0.081167 -0.100326 116 C 8 YY -0.176466 0.205040 -0.002178 -0.080597 0.061368 117 C 8 ZZ -0.205177 -0.043945 -0.100854 -0.000570 0.038958 118 C 8 XY 0.178947 -0.061582 -0.244686 -0.012511 0.146778 119 C 8 XZ 0.090020 0.048177 0.018439 0.010110 0.056111 120 C 8 YZ 0.033595 -0.041472 -0.090087 0.018076 0.073612 121 C 9 S 0.104171 -0.080939 0.100193 0.091220 0.034416 122 C 9 S 0.172265 -0.172401 0.183280 0.130304 0.078710 123 C 9 S -1.020980 -0.287095 -2.353835 -0.817333 -0.575743 124 C 9 X 0.014356 0.036950 0.053622 -0.128341 0.084646 125 C 9 Y -0.157942 0.038504 0.131160 -0.037967 0.055180 126 C 9 Z 0.072428 -0.121695 0.088299 0.019591 -0.220473 127 C 9 X -0.167817 0.802398 -0.085323 0.864459 -0.741466 128 C 9 Y -1.989721 0.315589 -1.180915 0.696308 -0.960348 129 C 9 Z 0.276867 1.013387 -0.881707 0.776598 0.798936 130 C 9 XX -0.006474 0.076814 -0.033521 -0.023830 0.141949 131 C 9 YY -0.013570 0.030735 0.003662 0.032475 -0.054065 132 C 9 ZZ 0.020044 -0.107549 0.029859 -0.008646 -0.087884 133 C 9 XY -0.063350 0.062726 -0.003602 -0.018081 -0.011179 134 C 9 XZ -0.050654 0.038505 0.001272 -0.085350 -0.147229 135 C 9 YZ -0.086604 -0.049192 0.014692 0.066618 -0.246096 136 C 10 S -0.018305 -0.161371 0.042452 0.109275 -0.067715 137 C 10 S -0.055985 -0.329670 0.072995 0.207332 -0.125800 138 C 10 S -0.966119 0.513660 -1.277467 -1.215095 1.537818 139 C 10 X 0.003791 -0.001534 0.020584 -0.145737 0.079972 140 C 10 Y 0.094715 0.044571 -0.140207 0.019178 0.050904 141 C 10 Z -0.063488 0.017624 -0.024048 0.014167 -0.051749 142 C 10 X 1.028053 0.608851 -0.657134 2.534036 -1.720152 143 C 10 Y 0.961115 0.449821 4.553561 -0.713907 -1.216445 144 C 10 Z 0.108823 0.086202 -0.071469 -0.449868 0.432003 145 C 10 XX -0.056504 0.008646 0.097034 -0.064865 -0.021356 146 C 10 YY 0.002243 0.045631 -0.109431 0.010872 -0.034663 147 C 10 ZZ 0.054261 -0.054277 0.012396 0.053994 0.056019 148 C 10 XY 0.034422 0.078796 -0.001117 0.056964 -0.008247 149 C 10 XZ 0.151408 -0.088334 -0.013809 -0.087658 0.017297 150 C 10 YZ 0.017229 0.087468 -0.037426 0.110020 0.031423 151 C 11 S 0.200569 -0.028453 -0.001971 -0.007166 -0.029601 152 C 11 S 0.388907 -0.065735 0.039879 -0.009659 -0.034476 153 C 11 S -3.782386 -0.320830 4.141969 1.117216 1.659431 154 C 11 X 0.034384 0.070308 -0.054560 -0.146037 -0.064648 155 C 11 Y -0.028087 -0.123338 -0.004549 -0.024723 0.058414 156 C 11 Z -0.028183 0.038800 -0.047558 0.003268 0.020282 157 C 11 X -2.998761 -1.069886 2.240065 0.786543 2.863776 158 C 11 Y 2.684994 1.297392 3.641369 -0.652476 -2.048322 159 C 11 Z -0.147726 -0.055931 0.209986 0.187842 -0.293050 160 C 11 XX -0.050597 -0.010980 -0.042267 0.004601 0.080243 161 C 11 YY 0.076315 0.051287 -0.062288 -0.033180 0.010749 162 C 11 ZZ -0.025719 -0.040306 0.104555 0.028579 -0.090991 163 C 11 XY 0.006409 -0.031196 0.004743 0.002286 0.052469 164 C 11 XZ -0.006598 -0.062731 0.034802 -0.125941 0.047194 165 C 11 YZ 0.160336 -0.013601 0.112947 0.040167 0.068474 166 C 12 S 0.037365 0.087887 0.104873 -0.495740 0.064406 167 C 12 S 0.088891 0.184599 0.193007 -0.942446 0.121893 168 C 12 S 0.606037 -0.002039 -1.215051 4.338683 -1.525491 169 C 12 X 0.083749 -0.000911 -0.069161 0.091977 -0.067433 170 C 12 Y -0.039532 -0.072386 0.011394 0.050308 -0.032162 171 C 12 Z 0.004280 0.027396 -0.062025 0.050322 0.035817 172 C 12 X 0.206436 -0.071290 -0.901778 0.882214 -0.076982 173 C 12 Y -0.296144 0.020665 -0.745281 -0.887102 0.485542 174 C 12 Z -0.089604 -0.252155 0.221936 -0.509990 -0.021574 175 C 12 XX -0.063047 -0.020893 -0.011364 -0.002846 -0.071200 176 C 12 YY 0.086312 0.056755 0.059641 -0.112106 -0.039639 177 C 12 ZZ -0.023265 -0.035863 -0.048277 0.114952 0.110840 178 C 12 XY 0.033566 0.110580 -0.206098 -0.088033 -0.068980 179 C 12 XZ 0.021350 -0.114681 -0.021821 -0.004172 0.063109 180 C 12 YZ 0.072861 0.003209 -0.050092 -0.106241 0.138964 181 C 13 S 0.103156 0.082484 0.034099 0.116910 0.024066 182 C 13 S 0.173862 0.142700 0.082370 0.238655 0.052761 183 C 13 S -0.682714 -0.479956 -0.366885 -1.422860 -0.205389 184 C 13 X -0.009477 0.006823 0.025867 -0.006828 0.017076 185 C 13 Y -0.059968 0.004583 0.012025 -0.050761 -0.001100 186 C 13 Z -0.041844 -0.078593 0.089578 0.031595 0.013163 187 C 13 X -0.405975 -0.300157 0.054898 -0.034765 -0.040796 188 C 13 Y 0.132447 -0.026132 0.077568 -0.273947 0.705933 189 C 13 Z -0.072251 0.090759 -0.277487 -0.143383 0.050083 190 C 13 XX -0.137188 -0.063275 0.055282 0.087758 0.062352 191 C 13 YY 0.181744 0.069264 0.017000 -0.142266 -0.124559 192 C 13 ZZ -0.044556 -0.005989 -0.072282 0.054507 0.062206 193 C 13 XY -0.106150 -0.047632 -0.015026 -0.070947 -0.181541 194 C 13 XZ -0.083808 -0.104066 0.093859 0.290447 0.027299 195 C 13 YZ 0.073147 -0.023563 -0.165400 -0.035704 0.216738 196 C 14 S -0.063429 -0.013597 -0.221916 -0.022320 -0.149731 197 C 14 S -0.121000 -0.020018 -0.427448 -0.058559 -0.299230 198 C 14 S 0.243082 0.069448 2.490501 0.185992 1.653371 199 C 14 X 0.028366 0.023430 0.091364 0.039734 -0.030232 200 C 14 Y -0.015100 -0.019585 -0.025437 0.017567 -0.031013 201 C 14 Z 0.020373 0.035426 0.035543 0.106393 -0.056067 202 C 14 X 0.226413 0.087300 0.891250 -0.495641 -0.246540 203 C 14 Y -0.347911 -0.086482 0.000128 0.100717 0.693095 204 C 14 Z -0.002217 -0.083530 -0.011585 -0.443681 0.101950 205 C 14 XX 0.076563 0.066237 0.003760 0.012084 0.006693 206 C 14 YY -0.011961 -0.013166 -0.083854 -0.121352 -0.051164 207 C 14 ZZ -0.064602 -0.053071 0.080094 0.109268 0.044471 208 C 14 XY -0.125750 -0.142323 0.008273 0.073895 0.015535 209 C 14 XZ 0.002591 -0.084605 0.120835 0.058839 0.026744 210 C 14 YZ 0.069520 -0.017175 -0.032644 0.022775 0.131099 211 F 15 S 0.008433 0.017422 -0.000428 0.004647 0.006154 212 F 15 S 0.021577 0.048679 0.000676 -0.005667 0.016363 213 F 15 S -0.007360 0.045440 0.008429 -0.234446 0.054138 214 F 15 X 0.067223 0.051496 0.005671 -0.128854 0.088263 215 F 15 Y -0.086193 -0.019533 0.005198 0.042380 0.008423 216 F 15 Z -0.002089 -0.077852 0.019411 0.041136 0.001562 217 F 15 X -0.122805 -0.026204 0.068214 0.132934 -0.189930 218 F 15 Y 0.118981 0.021401 0.043526 0.027457 -0.076433 219 F 15 Z -0.004959 0.110459 -0.058743 0.110570 0.006095 220 F 15 XX -0.000098 -0.008677 0.003858 -0.007193 0.008564 221 F 15 YY 0.000177 -0.006479 -0.006445 0.016837 -0.010160 222 F 15 ZZ -0.000079 0.015156 0.002587 -0.009644 0.001596 223 F 15 XY -0.000894 -0.000233 -0.000695 -0.003444 -0.002243 224 F 15 XZ -0.011155 0.002545 0.010862 0.010452 -0.018488 225 F 15 YZ -0.001726 0.003628 0.000187 -0.000550 -0.014080 226 F 16 S 0.001657 0.000092 -0.005202 -0.035149 -0.011499 227 F 16 S 0.008346 -0.000153 -0.011191 -0.108080 -0.025221 228 F 16 S 0.032521 -0.020576 0.154576 -0.176996 0.054752 229 F 16 X -0.001216 -0.023235 -0.045843 0.010565 -0.047969 230 F 16 Y -0.039780 -0.013271 -0.173276 0.140055 0.004192 231 F 16 Z 0.006545 -0.042922 -0.120017 -0.194825 0.005345 232 F 16 X -0.018998 -0.006489 0.089980 -0.060556 0.115579 233 F 16 Y 0.032022 -0.008798 0.312493 0.011419 -0.048749 234 F 16 Z -0.011306 0.076960 0.150098 0.302167 0.033950 235 F 16 XX -0.000223 0.011087 -0.001065 0.000842 -0.007205 236 F 16 YY -0.005156 -0.007983 0.011219 0.003409 0.004744 237 F 16 ZZ 0.005379 -0.003104 -0.010154 -0.004250 0.002461 238 F 16 XY -0.000653 -0.011174 0.002524 0.008818 0.007639 239 F 16 XZ 0.008600 0.005112 -0.010478 -0.015588 -0.003877 240 F 16 YZ -0.003731 0.000858 -0.015502 0.034401 0.004986 241 F 17 S 0.006616 0.004721 -0.005850 -0.046285 0.007622 242 F 17 S 0.013464 0.015577 -0.022787 -0.123471 0.012558 243 F 17 S -0.101757 -0.010311 -0.143314 -0.011815 -0.057887 244 F 17 X 0.032407 0.077481 0.021427 -0.140045 0.021426 245 F 17 Y -0.110226 -0.061583 -0.111968 -0.029290 0.043444 246 F 17 Z 0.024447 0.035373 0.025877 -0.252627 -0.032766 247 F 17 X -0.075831 -0.146304 0.000528 0.275261 -0.025432 248 F 17 Y 0.174531 0.130869 0.113008 -0.044473 -0.160048 249 F 17 Z -0.070310 -0.022033 -0.059693 0.399001 -0.001506 250 F 17 XX 0.002685 0.006819 -0.006580 0.012984 0.001653 251 F 17 YY -0.008712 -0.006547 0.003886 0.013143 0.004654 252 F 17 ZZ 0.006028 -0.000272 0.002694 -0.026128 -0.006307 253 F 17 XY 0.004436 0.010118 -0.011345 -0.014931 0.001485 254 F 17 XZ 0.008526 0.012325 -0.002820 -0.014831 -0.006392 255 F 17 YZ -0.006378 -0.002406 -0.017306 -0.018877 0.002976 256 F 18 S 0.005315 0.015035 -0.004160 0.023697 -0.018451 257 F 18 S 0.015620 0.039097 -0.017826 0.063033 -0.051149 258 F 18 S -0.029444 -0.018188 -0.118165 0.012520 -0.063143 259 F 18 X -0.046598 -0.010454 0.000223 -0.049632 -0.105594 260 F 18 Y -0.049059 -0.013923 -0.070880 -0.056186 -0.015642 261 F 18 Z -0.042633 -0.050497 0.043919 -0.149874 0.046618 262 F 18 X 0.049060 0.029340 -0.085024 0.121448 0.184733 263 F 18 Y 0.091166 0.016959 0.104776 0.082629 -0.052578 264 F 18 Z 0.014382 0.067844 -0.003627 0.240872 -0.059907 265 F 18 XX -0.007218 -0.005262 0.004242 -0.007929 0.003940 266 F 18 YY 0.009860 0.000669 0.005847 -0.007532 0.009126 267 F 18 ZZ -0.002642 0.004593 -0.010089 0.015460 -0.013066 268 F 18 XY 0.001215 -0.002811 0.003179 0.005954 -0.003088 269 F 18 XZ -0.001069 0.000953 -0.010581 0.000797 0.014390 270 F 18 YZ 0.003211 -0.004966 0.013269 0.001512 -0.003151 271 C 19 S -0.059762 0.160533 -0.009466 -0.019016 0.056493 272 C 19 S -0.133453 0.297476 0.008029 -0.037517 0.087200 273 C 19 S -0.010018 -1.590303 0.550483 0.155898 -1.082922 274 C 19 X 0.015880 0.043422 -0.081797 -0.015139 0.070472 275 C 19 Y 0.105012 0.028986 -0.101308 -0.000919 0.085892 276 C 19 Z 0.002413 0.007963 -0.006540 -0.003487 0.005384 277 C 19 X 0.603066 -0.018510 -0.030201 0.186295 0.023465 278 C 19 Y -0.397616 0.666496 -0.142652 -0.043207 0.317380 279 C 19 Z -0.070221 -0.041819 -0.139885 0.059604 -0.023907 280 C 19 XX -0.102212 0.146404 0.201298 -0.042582 -0.079621 281 C 19 YY 0.244559 -0.157697 -0.106290 0.030244 0.066316 282 C 19 ZZ -0.142348 0.011292 -0.095008 0.012339 0.013306 283 C 19 XY -0.145663 0.077891 -0.058961 -0.080822 0.100854 284 C 19 XZ 0.008306 0.063837 0.059772 -0.030360 0.021145 285 C 19 YZ -0.003232 -0.058448 0.001147 -0.016201 -0.108138 286 H 20 S -0.137349 0.126166 -0.232909 -0.045275 0.200885 287 H 20 S -0.249527 0.182843 0.061827 -0.098370 0.025423 288 H 20 X 0.061979 -0.060893 -0.073379 -0.000586 0.042864 289 H 20 Y 0.335106 -0.188173 0.000910 0.040552 -0.040937 290 H 20 Z 0.075186 0.012810 0.035739 -0.021280 0.021676 291 H 21 S 0.018656 0.063842 -0.029526 -0.019091 -0.030203 292 H 21 S 0.112572 -0.061839 -0.044113 0.036196 0.011280 293 H 21 X -0.218617 0.144984 0.053854 -0.078433 0.023678 294 H 21 Y -0.027448 0.043580 0.035968 -0.065134 -0.008820 295 H 21 Z 0.035263 0.018281 0.013887 -0.021789 0.038313 296 C 22 S -0.032226 -0.017059 0.135337 -0.031539 0.096057 297 C 22 S -0.060983 -0.066229 0.241585 -0.064642 0.176395 298 C 22 S 0.495618 -0.594650 -1.320802 0.000598 -1.039846 299 C 22 X -0.003467 0.069049 0.020610 -0.006042 -0.006349 300 C 22 Y 0.016024 -0.159947 -0.065495 -0.049956 -0.045730 301 C 22 Z 0.014476 -0.007535 -0.017165 0.001185 -0.023340 302 C 22 X -0.036487 0.264667 0.451976 0.379321 0.663775 303 C 22 Y 0.292579 0.055061 -0.468611 0.254639 -0.230901 304 C 22 Z -0.032589 -0.026744 0.051861 -0.102420 0.121731 305 C 22 XX -0.052944 -0.092603 -0.046376 -0.144652 -0.128509 306 C 22 YY 0.019104 -0.007175 -0.034749 0.017763 0.027437 307 C 22 ZZ 0.033841 0.099778 0.081125 0.126888 0.101072 308 C 22 XY -0.123484 -0.255935 0.087680 -0.091525 0.123625 309 C 22 XZ -0.018588 0.069412 0.041020 -0.027787 0.149503 310 C 22 YZ 0.003696 -0.051006 0.015772 -0.027822 -0.015430 311 H 23 S 0.103528 0.321520 0.116204 0.193861 0.128561 312 H 23 S -0.033127 -0.048531 0.065727 0.097315 0.192586 313 H 23 X 0.039069 -0.008257 -0.054780 -0.167074 -0.224595 314 H 23 Y -0.092553 -0.123030 0.073429 0.052718 0.196853 315 H 23 Z 0.011645 0.005267 -0.017762 0.047253 0.007474 316 H 24 S -0.015449 -0.070515 0.036948 -0.064714 -0.120360 317 H 24 S 0.017364 0.017235 -0.042973 -0.040544 -0.090592 318 H 24 X 0.004002 0.004617 -0.021730 -0.068734 -0.106756 319 H 24 Y 0.022618 0.029183 -0.020469 -0.078060 -0.143879 320 H 24 Z 0.018093 -0.028720 -0.020614 0.030772 -0.031944 321 H 25 S -0.046703 0.025488 0.104560 -0.153508 0.104818 322 H 25 S -0.035495 -0.032873 0.006806 -0.073474 -0.062133 323 H 25 X 0.036188 0.060907 -0.054559 -0.034323 -0.110363 324 H 25 Y -0.059987 -0.045700 0.078852 -0.153301 -0.070587 325 H 25 Z 0.033594 0.014751 -0.033707 0.031069 -0.081788 326 C 26 S 0.174238 0.002505 0.119383 -0.126797 0.040164 327 C 26 S 0.352816 0.027093 0.233020 -0.221572 0.091309 328 C 26 S -0.604735 0.716120 -0.845760 1.354023 0.280147 329 C 26 X -0.022040 0.007734 0.013023 -0.038215 -0.033703 330 C 26 Y 0.024405 0.005499 0.031216 0.022318 -0.034419 331 C 26 Z 0.128214 0.137105 0.019989 0.047489 0.126200 332 C 26 X 0.206861 -0.389208 0.141440 -0.232480 0.447602 333 C 26 Y 0.486214 0.226615 0.113024 -0.081348 0.609214 334 C 26 Z -0.209933 0.254467 -0.107948 0.738716 -0.170149 335 C 26 XX -0.046460 -0.086806 -0.117406 -0.106341 0.060153 336 C 26 YY 0.034767 0.049160 0.017331 -0.036525 0.120667 337 C 26 ZZ 0.011693 0.037646 0.100075 0.142867 -0.180821 338 C 26 XY -0.111644 0.091596 -0.111232 0.087817 -0.166454 339 C 26 XZ 0.011144 -0.032546 0.043951 -0.063404 0.044655 340 C 26 YZ 0.180697 0.002451 -0.141521 -0.043799 0.079847 341 H 27 S 0.205561 -0.084931 0.257573 -0.153681 0.139739 342 H 27 S 0.158055 -0.035937 0.045543 -0.021175 0.279384 343 H 27 X 0.031106 0.069816 0.007302 0.014973 -0.085465 344 H 27 Y -0.100427 -0.015434 -0.081981 -0.048936 0.001796 345 H 27 Z 0.011483 -0.017946 -0.075910 0.019827 0.207313 346 H 28 S 0.070936 -0.108107 -0.060591 -0.074532 -0.137240 347 H 28 S -0.130213 -0.088399 0.061994 0.077457 -0.222409 348 H 28 X -0.010518 0.114827 -0.069117 -0.067859 -0.017775 349 H 28 Y -0.063015 -0.051173 -0.070186 -0.000406 -0.079112 350 H 28 Z -0.047208 -0.079874 0.013916 -0.017056 -0.042062 351 H 29 S 0.050182 0.155684 0.084450 0.009266 -0.160260 352 H 29 S -0.003641 0.088256 0.059345 -0.017930 -0.036804 353 H 29 X -0.068620 0.053379 0.030875 -0.003492 -0.111705 354 H 29 Y -0.137894 -0.059525 0.064968 0.078406 -0.103053 355 H 29 Z -0.009301 0.051363 -0.065113 -0.243677 0.031982 356 C 30 S -0.168498 0.034426 0.070696 0.155321 0.059484 357 C 30 S -0.325256 0.074013 0.125113 0.295899 0.147247 358 C 30 S 1.229566 0.198446 -0.995902 -1.025293 0.580133 359 C 30 X 0.026385 -0.023860 -0.022601 -0.043527 -0.020044 360 C 30 Y 0.027107 0.010823 -0.001046 0.020735 -0.006539 361 C 30 Z 0.030720 -0.084951 0.048641 0.028422 -0.195545 362 C 30 X -0.339921 0.568165 -0.390717 0.303310 -0.421218 363 C 30 Y 0.134684 -0.527998 0.260078 -0.140489 -0.287071 364 C 30 Z -0.495382 0.014903 0.387448 0.290685 -0.280380 365 C 30 XX 0.057608 -0.052525 0.216097 -0.044468 -0.035606 366 C 30 YY -0.120777 0.164543 -0.064773 0.052346 -0.009740 367 C 30 ZZ 0.063169 -0.112017 -0.151324 -0.007878 0.045346 368 C 30 XY -0.066089 0.124139 -0.183140 -0.011216 -0.200268 369 C 30 XZ 0.054959 -0.113158 -0.022143 -0.100425 0.095736 370 C 30 YZ 0.035334 0.078192 -0.047967 0.006451 0.028841 371 H 31 S -0.005366 -0.112345 0.176040 0.027027 -0.074478 372 H 31 S -0.003436 -0.181263 0.047978 0.004189 -0.064564 373 H 31 X -0.050435 -0.027533 0.132199 -0.081044 0.137294 374 H 31 Y -0.059795 0.022529 -0.036775 -0.002541 0.099859 375 H 31 Z -0.008464 0.012171 -0.053213 -0.025848 0.125333 376 H 32 S -0.237855 0.171525 -0.199163 0.091755 -0.117303 377 H 32 S -0.132723 0.224729 0.004477 0.240459 0.032757 378 H 32 X 0.081745 -0.021028 -0.022539 -0.022529 0.027581 379 H 32 Y 0.063230 -0.010672 -0.176103 0.009711 -0.028025 380 H 32 Z 0.090588 0.013291 -0.068736 -0.074113 -0.032421 381 H 33 S -0.076561 -0.110633 0.180798 0.118947 0.194176 382 H 33 S 0.044082 0.015058 0.076401 -0.038693 0.100446 383 H 33 X 0.084486 -0.079382 -0.032837 -0.016710 0.028542 384 H 33 Y -0.094469 0.054546 0.041443 0.007467 0.061940 385 H 33 Z -0.021860 -0.049127 0.082289 0.049496 0.003516 386 H 34 S 0.123904 0.186408 0.047419 -0.039603 0.150808 387 H 34 S 0.093253 -0.039514 0.009404 0.003801 -0.037168 388 H 34 X -0.224944 0.089832 -0.023485 -0.048100 0.060760 389 H 34 Y -0.040143 -0.016210 -0.086464 -0.005334 0.065989 390 H 34 Z 0.002364 0.067254 0.067084 -0.030645 0.031644 391 F 35 S 0.007050 0.008216 -0.005490 0.008887 -0.003645 392 F 35 S 0.024715 0.020039 -0.008852 0.036446 -0.009035 393 F 35 S 0.020485 -0.047664 0.093992 0.170711 0.021861 394 F 35 X 0.025275 -0.041683 0.051735 0.199707 -0.006065 395 F 35 Y 0.079668 0.018080 0.143957 -0.076358 0.064430 396 F 35 Z -0.084348 -0.027007 0.003743 -0.130268 0.032776 397 F 35 X 0.062155 0.075351 -0.042139 -0.165789 0.015860 398 F 35 Y -0.166515 -0.039738 -0.243690 0.138166 -0.218341 399 F 35 Z 0.087716 0.008877 0.026290 0.203506 -0.050870 400 F 35 XX 0.001133 -0.000178 0.001585 0.005661 -0.003687 401 F 35 YY 0.006714 0.006817 -0.002803 -0.013991 0.003323 402 F 35 ZZ -0.007847 -0.006640 0.001219 0.008330 0.000364 403 F 35 XY 0.014433 0.002899 0.004167 0.006272 0.025651 404 F 35 XZ -0.000152 0.004847 -0.008216 -0.025409 0.002090 405 F 35 YZ -0.003240 -0.002723 -0.007525 -0.000903 -0.013445 406 F 36 S 0.003805 0.016243 -0.010525 -0.020826 0.002130 407 F 36 S 0.017512 0.045366 -0.026068 -0.053022 0.005323 408 F 36 S 0.075300 0.046205 -0.005966 0.096327 0.001778 409 F 36 X -0.001245 0.029757 -0.007002 0.129663 -0.002253 410 F 36 Y -0.036061 -0.050682 -0.190626 0.084412 0.175255 411 F 36 Z 0.051517 0.040820 -0.039126 -0.022090 0.027531 412 F 36 X 0.014791 -0.039752 0.032980 -0.146677 0.019917 413 F 36 Y 0.036288 0.053003 0.192771 -0.112371 -0.231990 414 F 36 Z -0.005244 -0.040749 0.084144 0.019248 -0.045084 415 F 36 XX -0.007005 -0.005582 0.001522 -0.012166 0.000856 416 F 36 YY 0.003048 -0.004146 0.002287 0.009208 -0.000907 417 F 36 ZZ 0.003956 0.009728 -0.003809 0.002957 0.000051 418 F 36 XY -0.008670 -0.005491 -0.009182 0.008467 -0.007174 419 F 36 XZ 0.005306 0.007401 -0.008042 -0.010117 -0.004987 420 F 36 YZ -0.004646 0.000286 0.011694 0.008801 -0.015133 421 C 37 S -0.072689 -0.106980 -0.112005 0.066882 0.007217 422 C 37 S -0.093565 -0.247370 -0.231566 0.129707 0.034538 423 C 37 S 2.369710 -0.554023 1.647750 -0.756655 0.998367 424 C 37 X -0.050605 0.090092 0.029446 0.002697 -0.055286 425 C 37 Y 0.139728 -0.035957 -0.192019 0.035171 0.045204 426 C 37 Z -0.015588 -0.048425 -0.037564 -0.033319 -0.002731 427 C 37 X -1.019809 -0.047788 -1.035391 0.217445 -0.581358 428 C 37 Y -0.173451 0.367040 0.573191 0.128132 -0.056447 429 C 37 Z -0.208651 -0.166518 -0.076329 0.063460 -0.077458 430 C 37 XX 0.189328 0.017597 -0.161443 -0.033418 0.130666 431 C 37 YY -0.066206 0.057610 0.088980 -0.026225 0.031332 432 C 37 ZZ -0.123122 -0.075207 0.072463 0.059644 -0.161998 433 C 37 XY 0.147854 -0.169014 0.018783 0.061553 -0.086937 434 C 37 XZ 0.093627 0.045935 0.073380 -0.034375 -0.020551 435 C 37 YZ 0.046196 -0.015380 -0.024961 0.014442 -0.045936 436 S 38 S 0.004469 0.006443 -0.017366 0.011742 0.003183 437 S 38 S 0.021570 0.050306 -0.124655 0.079924 0.022797 438 S 38 S -0.027757 0.084902 -0.161334 0.079987 0.031312 439 S 38 S -0.484161 0.036845 0.942354 -0.763963 -0.113591 440 S 38 X -0.051010 0.026104 -0.028585 -0.007406 0.022565 441 S 38 Y 0.001199 -0.000138 -0.020027 0.019424 0.020870 442 S 38 Z 0.000783 0.000980 0.002560 -0.002811 0.003569 443 S 38 X -0.234286 0.105936 -0.121431 -0.038259 0.094895 444 S 38 Y 0.016547 -0.005421 -0.063320 0.070375 0.081267 445 S 38 Z 0.005772 -0.000660 0.013954 -0.014913 0.014611 446 S 38 X -0.364244 0.113566 0.121017 -0.136985 0.090629 447 S 38 Y -0.073711 0.120507 -0.252500 0.226441 0.084027 448 S 38 Z 0.035039 0.008175 0.017646 0.008113 0.010056 449 S 38 XX -0.212936 0.102933 0.006276 -0.045008 0.109916 450 S 38 YY 0.110342 -0.107624 -0.004354 0.009704 -0.118968 451 S 38 ZZ 0.102594 0.004691 -0.001921 0.035303 0.009052 452 S 38 XY 0.074027 -0.009485 0.051093 -0.006778 -0.034386 453 S 38 XZ -0.003551 0.007177 0.020822 0.009378 -0.006116 454 S 38 YZ -0.017753 0.024197 -0.030140 0.027680 0.000650 455 S 38 XX -0.019496 0.008315 0.002110 -0.004411 0.010492 456 S 38 YY 0.010924 -0.013735 -0.001914 0.003210 -0.012385 457 S 38 ZZ 0.008572 0.005420 -0.000196 0.001201 0.001892 458 S 38 XY 0.013328 -0.000123 0.000185 0.000081 -0.003030 459 S 38 XZ 0.001044 0.001501 0.004632 0.002525 -0.001698 460 S 38 YZ -0.001804 0.005117 -0.004432 0.004849 0.001614 461 H 39 S -0.127630 0.024170 0.275306 0.050759 -0.066967 462 H 39 S 0.311445 0.023505 0.171360 0.020753 0.177963 463 H 39 X 0.010630 -0.035305 0.044075 0.037601 -0.042588 464 H 39 Y 0.005297 -0.083051 -0.233077 0.066024 0.048625 465 H 39 Z 0.073933 0.072707 -0.002715 0.072102 -0.072905 296 297 298 299 300 1.8356 1.8442 1.8512 1.8550 1.8699 A A A A A 1 C 1 S -0.055772 -0.078127 0.012305 0.296373 -0.130031 2 C 1 S -0.104873 -0.145216 0.030290 0.592722 -0.287876 3 C 1 S 0.954897 0.374663 -0.198085 -1.052984 0.467326 4 C 1 X 0.019462 0.041053 0.018674 -0.087863 0.027407 5 C 1 Y -0.005208 -0.039625 -0.012071 0.005739 0.097539 6 C 1 Z -0.027872 -0.010558 0.001025 0.013026 -0.004083 7 C 1 X -0.851803 -0.030246 0.801803 -0.594014 0.635925 8 C 1 Y 0.192063 0.157268 -0.551392 1.138692 -0.356193 9 C 1 Z -0.180576 -0.035376 0.042775 -0.094819 -0.153363 10 C 1 XX 0.093980 0.134406 -0.052311 -0.221260 -0.126534 11 C 1 YY -0.007869 -0.051529 0.029507 -0.068491 0.147266 12 C 1 ZZ -0.086111 -0.082877 0.022804 0.289751 -0.020732 13 C 1 XY -0.001102 0.050805 -0.011827 0.034140 -0.061862 14 C 1 XZ 0.284707 -0.015261 -0.078605 0.155362 0.011975 15 C 1 YZ 0.003053 0.004151 0.004477 -0.017539 0.057737 16 C 2 S 0.072145 -0.024288 -0.120911 0.210499 0.032058 17 C 2 S 0.126841 -0.051485 -0.240455 0.439053 0.077329 18 C 2 S -2.412989 0.360975 1.487815 -0.122714 -0.741326 19 C 2 X -0.000699 -0.126027 -0.002931 0.164484 0.162397 20 C 2 Y -0.039852 0.075841 -0.081905 0.046092 -0.080865 21 C 2 Z 0.111920 0.004145 -0.059608 0.055691 -0.017261 22 C 2 X -0.661435 0.262872 0.282822 -0.867952 0.214850 23 C 2 Y -0.528765 -0.071246 0.410329 -0.148460 -0.379743 24 C 2 Z 0.145473 0.017195 -0.146416 0.247939 0.024626 25 C 2 XX 0.013548 0.059402 0.027402 -0.200727 0.095803 26 C 2 YY 0.073697 -0.038481 -0.015844 0.020044 -0.006754 27 C 2 ZZ -0.087245 -0.020921 -0.011557 0.180683 -0.089048 28 C 2 XY -0.072047 -0.035917 -0.001620 -0.080803 0.068779 29 C 2 XZ 0.194224 0.006583 -0.027318 0.073962 0.051220 30 C 2 YZ -0.044882 -0.013043 -0.016244 0.062659 -0.039997 31 C 3 S -0.078374 -0.120430 0.042554 0.080289 0.028134 32 C 3 S -0.187950 -0.228857 0.076121 0.171833 0.052051 33 C 3 S -1.368931 4.158596 -3.631594 1.952102 0.311999 34 C 3 X -0.013656 0.021180 -0.047927 0.058667 -0.187522 35 C 3 Y 0.016242 0.007484 -0.162211 0.153788 0.042317 36 C 3 Z 0.004879 0.008257 0.004791 0.032440 0.035695 37 C 3 X 1.296400 -0.941417 1.564438 -0.839082 0.003961 38 C 3 Y -1.957146 1.828033 -0.189384 1.294513 -1.680028 39 C 3 Z 0.053151 0.062842 0.389147 -0.513603 -0.245161 40 C 3 XX -0.088060 0.008162 -0.023421 -0.026547 0.044447 41 C 3 YY 0.021668 -0.035472 0.126385 -0.022969 -0.021768 42 C 3 ZZ 0.066392 0.027311 -0.102964 0.049517 -0.022680 43 C 3 XY -0.020550 -0.007036 0.046195 -0.092249 0.070056 44 C 3 XZ 0.154113 -0.022284 0.031105 0.030529 0.000603 45 C 3 YZ 0.197315 0.040394 -0.062182 0.046231 -0.065205 46 C 4 S -0.028328 -0.014565 -0.235563 -0.027101 0.086362 47 C 4 S -0.103286 -0.032158 -0.416679 -0.060080 0.214835 48 C 4 S -0.433051 -0.805855 2.268324 -0.981592 0.083469 49 C 4 X 0.056902 0.018800 0.091981 -0.055203 0.079517 50 C 4 Y -0.133552 0.065272 0.009647 -0.032598 0.019687 51 C 4 Z -0.068268 0.000673 0.281784 0.053341 0.119062 52 C 4 X -1.040580 0.766001 -0.477300 0.509941 -0.834623 53 C 4 Y 0.382752 -0.171481 0.892167 -0.449503 0.051227 54 C 4 Z 0.141470 0.255769 -1.190875 0.960955 -0.060327 55 C 4 XX 0.006788 0.081222 0.022520 -0.276626 0.135583 56 C 4 YY -0.084604 -0.060108 0.053178 0.226044 -0.065414 57 C 4 ZZ 0.077815 -0.021115 -0.075699 0.050582 -0.070169 58 C 4 XY 0.049754 -0.118212 -0.104609 -0.052402 0.132137 59 C 4 XZ 0.294358 0.028059 0.065544 -0.049602 0.066992 60 C 4 YZ 0.075191 -0.008329 -0.179211 0.075678 -0.037762 61 S 5 S -0.002106 0.007198 0.028514 -0.012798 0.014427 62 S 5 S -0.011265 0.047184 0.203809 -0.090960 0.107524 63 S 5 S 0.002538 0.036228 0.247626 -0.111239 0.154188 64 S 5 S 0.479527 -0.418760 -0.515585 0.067392 -0.047381 65 S 5 X -0.015416 0.009227 -0.002656 0.015792 -0.028496 66 S 5 Y 0.033159 0.002606 -0.008340 -0.017337 0.022616 67 S 5 Z 0.011289 -0.010382 0.004420 -0.005332 0.011431 68 S 5 X -0.058969 0.041363 0.011759 0.059073 -0.107286 69 S 5 Y 0.125714 0.002087 -0.038271 -0.061472 0.082859 70 S 5 Z 0.035330 -0.044938 0.022221 -0.022633 0.045134 71 S 5 X -0.127230 0.167119 0.196734 -0.086606 0.040386 72 S 5 Y -0.040791 -0.092113 -0.042134 0.022916 0.191911 73 S 5 Z 0.067328 -0.008849 0.108981 -0.060568 0.046971 74 S 5 XX 0.017944 0.012973 -0.056198 -0.014932 0.011511 75 S 5 YY 0.021120 -0.055056 -0.075056 0.087529 -0.011570 76 S 5 ZZ -0.039064 0.042083 0.131255 -0.072596 0.000059 77 S 5 XY -0.099092 0.033620 0.098340 -0.031213 -0.051432 78 S 5 XZ -0.024637 0.018905 -0.027430 0.034947 -0.029072 79 S 5 YZ 0.073717 -0.034081 0.032356 0.015657 0.028526 80 S 5 XX 0.003098 0.002407 -0.008335 -0.001362 -0.002113 81 S 5 YY 0.001176 -0.006920 -0.012806 0.011880 0.001411 82 S 5 ZZ -0.004274 0.004512 0.021142 -0.010518 0.000702 83 S 5 XY -0.008060 0.005648 0.011188 -0.009891 -0.002952 84 S 5 XZ -0.001186 0.000712 -0.003403 0.005253 -0.002736 85 S 5 YZ 0.011702 -0.004784 0.006117 0.005838 0.003418 86 H 6 S 0.018026 0.060532 -0.045598 -0.068448 -0.051662 87 H 6 S -0.140525 -0.010633 0.108958 -0.220353 0.031493 88 H 6 X 0.010807 -0.113384 -0.026795 0.232214 0.023712 89 H 6 Y 0.018203 0.085080 0.000092 -0.256117 0.045056 90 H 6 Z -0.086463 -0.012709 0.081195 -0.076411 -0.023091 91 C 7 S -0.099953 -0.046521 -0.078783 0.061733 0.135460 92 C 7 S -0.143565 -0.114922 -0.124791 0.123668 0.259591 93 C 7 S 5.459346 -4.183590 4.378404 -3.017284 -3.022225 94 C 7 X 0.062905 0.008949 0.067795 0.082884 -0.164092 95 C 7 Y -0.031335 0.086932 -0.048415 0.008130 -0.055299 96 C 7 Z -0.033044 -0.026965 -0.024397 0.023242 0.022363 97 C 7 X -2.234264 2.783591 -1.379311 1.660631 3.167582 98 C 7 Y -2.137112 2.519919 -1.796374 2.160401 1.506279 99 C 7 Z 0.439343 -0.772136 0.245050 -0.245257 -0.427273 100 C 7 XX -0.067124 -0.050282 -0.109127 -0.059008 -0.083575 101 C 7 YY -0.017275 0.090831 0.029917 0.141513 0.044237 102 C 7 ZZ 0.084399 -0.040549 0.079210 -0.082505 0.039338 103 C 7 XY 0.246594 -0.089776 0.088048 -0.085201 -0.100522 104 C 7 XZ -0.015060 -0.168554 -0.088837 0.041539 -0.040461 105 C 7 YZ -0.042336 0.199830 0.156967 0.062069 -0.016123 106 C 8 S 0.022070 -0.075921 -0.008097 0.042228 0.134779 107 C 8 S 0.027296 -0.170965 -0.014415 0.068739 0.239485 108 C 8 S -0.952059 -0.118681 0.072268 -0.576193 -0.897907 109 C 8 X -0.040857 -0.033217 -0.003126 0.032757 -0.031633 110 C 8 Y -0.111958 0.000888 0.007194 -0.024904 -0.049768 111 C 8 Z 0.001371 -0.011354 -0.032256 -0.000105 -0.035808 112 C 8 X -0.780530 0.637215 -0.833649 -0.352063 0.283196 113 C 8 Y 0.284532 1.727082 -0.370905 0.276608 1.004935 114 C 8 Z 0.071500 0.231690 -0.248033 -0.060227 -0.047152 115 C 8 XX 0.035330 -0.065959 0.125529 -0.058263 -0.088680 116 C 8 YY -0.106632 0.080717 -0.115323 -0.020845 -0.081989 117 C 8 ZZ 0.071301 -0.014758 -0.010206 0.079108 0.170668 118 C 8 XY 0.167776 0.113221 0.020283 0.029750 0.211748 119 C 8 XZ -0.025882 0.069509 -0.108743 -0.006271 -0.013907 120 C 8 YZ -0.037943 0.071196 0.019131 0.001980 0.050814 121 C 9 S -0.257882 0.111152 0.049669 -0.014458 0.113880 122 C 9 S -0.453844 0.190339 0.006980 -0.010236 0.214853 123 C 9 S 1.991563 -1.470963 -2.284666 0.992299 -1.773303 124 C 9 X -0.116331 0.077734 -0.160729 0.076539 0.077649 125 C 9 Y 0.107187 0.046239 0.081546 0.200750 0.112059 126 C 9 Z 0.081445 0.002960 0.101477 -0.077976 0.068823 127 C 9 X 1.569553 -0.039127 1.373959 -0.622684 -0.386573 128 C 9 Y -0.255884 -1.030877 1.502938 -1.862491 -1.332687 129 C 9 Z -1.121288 1.031670 0.219897 -0.103491 -0.118473 130 C 9 XX -0.178298 0.186490 -0.052774 -0.081061 0.135972 131 C 9 YY 0.130129 -0.116736 0.001853 0.045597 -0.103986 132 C 9 ZZ 0.048169 -0.069754 0.050920 0.035465 -0.031986 133 C 9 XY 0.199786 0.070664 0.016358 0.016990 0.001027 134 C 9 XZ 0.074455 -0.170679 0.002239 -0.005573 0.040581 135 C 9 YZ 0.117137 -0.081618 -0.041118 -0.099749 0.024023 136 C 10 S 0.140417 -0.006474 0.042567 -0.038807 0.035334 137 C 10 S 0.272404 0.009985 0.103677 -0.056816 0.067462 138 C 10 S -3.432593 1.572570 -0.970716 2.291217 1.492238 139 C 10 X 0.015064 -0.052088 0.109849 -0.048722 0.010259 140 C 10 Y 0.043311 -0.030978 -0.024487 -0.008154 -0.034649 141 C 10 Z 0.036014 -0.022673 -0.028343 0.032966 -0.001115 142 C 10 X -4.553043 6.568834 -4.216584 3.661330 1.888741 143 C 10 Y -1.917555 1.695011 -1.411960 0.874499 3.370475 144 C 10 Z 0.452227 -0.691578 0.522332 -0.495020 -0.605713 145 C 10 XX 0.047115 -0.013537 0.112462 0.063841 0.037632 146 C 10 YY -0.018472 0.129304 -0.021414 -0.042777 -0.148418 147 C 10 ZZ -0.028642 -0.115767 -0.091048 -0.021064 0.110785 148 C 10 XY -0.060466 0.027001 -0.082327 -0.045473 -0.051727 149 C 10 XZ -0.018842 0.089398 -0.112977 0.019770 0.097286 150 C 10 YZ 0.158600 0.003203 -0.012753 -0.130779 -0.072039 151 C 11 S 0.026381 -0.079296 -0.156335 0.029072 0.033413 152 C 11 S 0.057365 -0.152261 -0.308296 0.063008 0.096665 153 C 11 S 0.485726 0.497992 1.414253 -0.592464 2.474488 154 C 11 X 0.047800 0.177916 -0.017295 -0.011493 -0.033242 155 C 11 Y -0.079745 -0.030715 0.017254 0.050822 0.045128 156 C 11 Z 0.052501 -0.051290 0.011171 -0.078483 -0.035044 157 C 11 X 3.128888 -5.774271 2.861968 -3.328807 -0.316767 158 C 11 Y 0.220335 -0.195268 -1.375782 -0.344238 1.986296 159 C 11 Z -0.028769 -0.021387 -0.180597 0.183733 0.329959 160 C 11 XX -0.017956 0.061295 0.081560 0.072362 -0.109069 161 C 11 YY -0.012997 -0.052007 -0.022473 -0.091926 -0.011862 162 C 11 ZZ 0.030953 -0.009288 -0.059087 0.019564 0.120931 163 C 11 XY -0.023609 -0.060874 0.043951 0.013372 0.061700 164 C 11 XZ 0.053990 -0.026077 -0.007575 0.221874 -0.015326 165 C 11 YZ -0.004985 0.196092 -0.010131 -0.015073 0.065342 166 C 12 S 0.067771 -0.449028 0.196939 -0.102173 -0.006247 167 C 12 S 0.102857 -0.835152 0.354206 -0.194179 -0.016955 168 C 12 S -2.411294 5.876825 -3.255708 2.097164 0.260341 169 C 12 X -0.135863 0.141649 -0.225331 0.013568 0.024377 170 C 12 Y 0.025392 0.041311 -0.024502 0.004564 0.012871 171 C 12 Z 0.024537 -0.041975 0.011629 -0.039034 -0.061689 172 C 12 X -0.323454 1.146281 -0.367197 0.555471 -0.286866 173 C 12 Y 0.801362 -1.646696 0.963943 -0.388965 -0.607132 174 C 12 Z 0.164311 -0.262148 0.210457 0.023883 0.362830 175 C 12 XX -0.000524 0.012339 -0.035557 -0.014974 0.022852 176 C 12 YY 0.048059 0.095151 0.014210 0.036708 -0.090816 177 C 12 ZZ -0.047536 -0.107490 0.021346 -0.021734 0.067964 178 C 12 XY 0.190112 0.047968 0.064805 -0.033852 -0.174316 179 C 12 XZ -0.075249 -0.152458 -0.051662 -0.015074 0.101851 180 C 12 YZ -0.144411 -0.097322 0.030339 -0.033455 0.037211 181 C 13 S 0.070561 -0.038081 -0.061066 -0.057222 0.018625 182 C 13 S 0.128424 -0.091403 -0.113077 -0.108298 0.069998 183 C 13 S -0.147538 -0.109666 0.834769 0.556596 0.275944 184 C 13 X -0.009615 -0.018232 0.025646 -0.006102 0.066810 185 C 13 Y 0.089970 -0.143824 0.099754 0.011082 -0.072892 186 C 13 Z -0.024858 -0.037289 -0.031336 0.002482 0.079900 187 C 13 X -0.138106 -0.020719 -0.145728 0.171636 0.334352 188 C 13 Y 0.511059 -1.181135 0.295683 -0.586845 -0.062123 189 C 13 Z 0.160840 -0.167097 0.306496 -0.039399 -0.157644 190 C 13 XX -0.051506 -0.116662 -0.037593 -0.041003 0.077178 191 C 13 YY 0.070477 0.229372 -0.040998 0.041613 -0.121432 192 C 13 ZZ -0.018971 -0.112710 0.078591 -0.000610 0.044255 193 C 13 XY 0.038162 0.169375 0.073068 0.072597 0.016561 194 C 13 XZ 0.059116 -0.103473 -0.094827 0.011370 0.165383 195 C 13 YZ -0.138052 -0.394296 -0.064735 -0.162564 -0.051448 196 C 14 S -0.102830 0.440608 -0.023063 0.198428 -0.020750 197 C 14 S -0.188582 0.830565 -0.041801 0.356520 -0.036815 198 C 14 S 2.335866 -5.504432 1.034450 -3.018648 -0.155689 199 C 14 X 0.106499 -0.142177 -0.100839 -0.113895 0.032136 200 C 14 Y 0.004358 0.036363 0.010274 -0.073810 0.041978 201 C 14 Z 0.034758 0.021890 -0.033133 -0.008275 0.011195 202 C 14 X 0.507252 -0.870440 0.546393 -0.379342 0.086438 203 C 14 Y 0.449036 -1.390141 0.475953 -0.498481 -0.605442 204 C 14 Z -0.177159 -0.014881 0.064864 0.175941 0.011090 205 C 14 XX 0.058796 -0.170276 -0.092385 -0.107254 -0.038447 206 C 14 YY -0.072315 0.187068 0.062722 0.026880 -0.051912 207 C 14 ZZ 0.013519 -0.016792 0.029663 0.080374 0.090358 208 C 14 XY -0.048353 0.033379 0.026948 -0.083715 0.117876 209 C 14 XZ 0.121663 0.247856 0.046703 0.183067 0.005044 210 C 14 YZ -0.046177 -0.155010 -0.128527 -0.098153 -0.016644 211 F 15 S 0.001648 -0.021901 0.002953 -0.018638 -0.007103 212 F 15 S 0.011008 -0.075371 0.014297 -0.051316 -0.026661 213 F 15 S 0.086643 -0.254743 0.128116 -0.053584 -0.111590 214 F 15 X 0.060251 -0.098898 0.068236 -0.003360 -0.068252 215 F 15 Y 0.041105 -0.077295 0.024073 -0.005127 0.012310 216 F 15 Z -0.006656 0.153534 -0.001011 0.056321 0.100013 217 F 15 X -0.071934 0.149398 -0.114529 0.004098 0.103121 218 F 15 Y -0.051792 0.264072 -0.090471 0.026276 0.000307 219 F 15 Z -0.065293 -0.070575 -0.054331 -0.045754 -0.103035 220 F 15 XX -0.003950 -0.006803 0.002439 -0.001986 0.012501 221 F 15 YY 0.003719 0.023380 -0.008652 0.009610 -0.002036 222 F 15 ZZ 0.000231 -0.016577 0.006213 -0.007624 -0.010465 223 F 15 XY -0.008472 0.008874 -0.000866 0.004465 0.005728 224 F 15 XZ 0.003362 0.027831 -0.004625 0.005864 0.002710 225 F 15 YZ 0.012297 0.018846 -0.000653 0.002039 -0.005392 226 F 16 S -0.004104 0.010545 0.007167 0.013595 -0.004096 227 F 16 S -0.010343 0.019578 0.026040 0.029680 -0.003990 228 F 16 S 0.003507 -0.120076 0.070444 -0.077591 0.132236 229 F 16 X -0.041881 0.106034 0.024676 0.102173 0.028614 230 F 16 Y 0.132107 -0.100114 0.042105 0.015645 -0.099659 231 F 16 Z 0.020565 0.013177 0.076907 0.038213 0.019735 232 F 16 X 0.006220 -0.253827 -0.047177 -0.184634 0.023896 233 F 16 Y -0.232413 0.265943 -0.184510 0.019963 0.164773 234 F 16 Z -0.029082 -0.066615 -0.098959 -0.105474 -0.025589 235 F 16 XX 0.015340 0.000964 0.005554 -0.002243 -0.011142 236 F 16 YY -0.011894 -0.009955 -0.006442 -0.004064 0.015005 237 F 16 ZZ -0.003445 0.008992 0.000888 0.006307 -0.003863 238 F 16 XY -0.010342 -0.012030 -0.008016 -0.003401 0.012010 239 F 16 XZ 0.006249 0.005740 0.004092 0.002776 -0.011359 240 F 16 YZ 0.004529 -0.000519 -0.006278 -0.004764 -0.008277 241 F 17 S -0.000584 0.011944 0.011020 0.000233 -0.007597 242 F 17 S -0.004468 0.039263 0.033343 0.015651 -0.025715 243 F 17 S -0.082597 0.125587 0.047925 0.202329 -0.087375 244 F 17 X 0.098106 -0.103973 0.178438 0.061416 -0.080786 245 F 17 Y -0.012277 0.029211 0.085969 0.042277 -0.144294 246 F 17 Z -0.004768 -0.007740 0.054560 0.077703 0.020890 247 F 17 X -0.139553 0.215917 -0.300850 -0.064739 0.172212 248 F 17 Y -0.010192 0.089935 -0.101324 0.021949 0.203550 249 F 17 Z 0.019049 0.045203 -0.058667 -0.043976 -0.058589 250 F 17 XX 0.000385 -0.005591 -0.005611 -0.003535 -0.006428 251 F 17 YY 0.004011 -0.002055 0.001035 0.005136 0.001245 252 F 17 ZZ -0.004396 0.007646 0.004576 -0.001600 0.005183 253 F 17 XY -0.004935 -0.011251 0.005495 -0.006602 -0.010565 254 F 17 XZ 0.002971 -0.003848 0.003737 0.005936 -0.012174 255 F 17 YZ -0.006547 0.011625 0.006448 0.011106 -0.011967 256 F 18 S 0.008942 0.013925 -0.006020 0.002116 -0.003509 257 F 18 S 0.023174 0.055014 -0.018351 0.010680 -0.016085 258 F 18 S -0.046862 0.261668 -0.007769 0.105670 -0.065536 259 F 18 X -0.014622 0.111329 0.031997 0.111069 -0.015469 260 F 18 Y 0.017381 0.038966 0.064416 0.033552 -0.091379 261 F 18 Z -0.068295 -0.132820 0.050047 0.036201 0.071358 262 F 18 X -0.006071 -0.220522 -0.113565 -0.242524 -0.006497 263 F 18 Y -0.021427 0.134875 -0.103407 -0.020817 0.165399 264 F 18 Z 0.110968 0.047584 -0.030686 -0.127221 -0.033476 265 F 18 XX 0.001396 0.012230 0.009318 0.018337 -0.000649 266 F 18 YY -0.001625 -0.027181 -0.007362 -0.008955 0.001749 267 F 18 ZZ 0.000229 0.014951 -0.001957 -0.009382 -0.001100 268 F 18 XY -0.002160 0.018974 -0.005088 0.012035 0.005275 269 F 18 XZ -0.009785 -0.038356 -0.010407 -0.027294 0.000668 270 F 18 YZ 0.001964 0.012886 0.001892 -0.001004 0.011396 271 C 19 S -0.050968 0.068826 -0.040123 -0.026081 -0.067738 272 C 19 S -0.093900 0.103691 -0.069042 -0.047857 -0.144498 273 C 19 S 0.517321 -1.528724 0.670973 0.226635 -0.145343 274 C 19 X -0.014642 0.087935 -0.047952 0.006795 0.099647 275 C 19 Y -0.012774 0.123819 -0.028492 -0.011167 0.058598 276 C 19 Z 0.004381 0.007756 -0.033340 -0.003292 -0.016890 277 C 19 X 0.046462 0.306962 0.197293 0.013663 -0.221171 278 C 19 Y -0.408680 0.416725 -0.460094 -0.125012 0.141149 279 C 19 Z -0.113869 0.010468 0.413835 0.054998 0.298532 280 C 19 XX -0.163797 -0.006316 -0.041036 -0.054188 -0.337298 281 C 19 YY 0.184152 0.052778 0.072402 0.054122 0.139348 282 C 19 ZZ -0.020355 -0.046462 -0.031365 0.000065 0.197950 283 C 19 XY 0.071744 0.060084 -0.059224 0.027163 0.094663 284 C 19 XZ 0.016397 0.028586 -0.155290 -0.023425 -0.108411 285 C 19 YZ 0.074676 -0.073899 0.219132 0.000515 0.035286 286 H 20 S 0.070587 0.111299 -0.113545 0.012203 0.317115 287 H 20 S -0.173766 -0.020986 -0.162330 -0.046215 -0.055355 288 H 20 X 0.081458 -0.001292 0.020496 0.012515 0.142833 289 H 20 Y 0.105035 -0.054393 0.194101 -0.024278 -0.089872 290 H 20 Z 0.050271 0.015216 -0.112284 -0.019678 -0.079269 291 H 21 S -0.007745 0.034298 0.269568 -0.011382 -0.066894 292 H 21 S 0.017995 0.022147 0.106929 0.022953 0.052171 293 H 21 X -0.003140 -0.014717 -0.154418 -0.002631 0.011625 294 H 21 Y 0.079146 -0.017537 -0.031268 -0.006655 -0.090448 295 H 21 Z 0.056336 0.012028 -0.147619 -0.005519 -0.053268 296 C 22 S 0.002876 0.078751 0.042662 -0.194092 0.031094 297 C 22 S 0.006526 0.157075 0.072400 -0.350719 0.043403 298 C 22 S 0.120936 -0.334175 -0.698369 2.033741 -0.717920 299 C 22 X -0.002660 -0.009081 0.012028 -0.073428 0.051365 300 C 22 Y 0.007542 0.045722 -0.041564 0.079614 -0.077050 301 C 22 Z -0.041884 0.003477 -0.001406 -0.006644 -0.029836 302 C 22 X 0.153701 -0.026860 0.097839 -0.067275 -0.244341 303 C 22 Y 0.109741 -0.198366 -0.318710 0.676784 -0.258022 304 C 22 Z 0.368729 0.045721 -0.114340 0.250844 0.284141 305 C 22 XX -0.033367 0.014761 0.022852 -0.001976 0.068247 306 C 22 YY 0.032888 0.075290 -0.041642 -0.278347 0.033069 307 C 22 ZZ 0.000479 -0.090051 0.018789 0.280323 -0.101316 308 C 22 XY 0.052183 0.161669 0.006581 -0.249855 -0.168560 309 C 22 XZ 0.181757 0.026505 -0.003005 0.046117 0.143594 310 C 22 YZ 0.062376 0.010836 -0.055928 0.044709 0.018060 311 H 23 S -0.010291 -0.135211 0.049654 0.181407 0.037345 312 H 23 S 0.082099 0.048257 -0.023149 -0.103788 -0.133217 313 H 23 X 0.028411 0.043068 -0.107908 -0.111052 0.147376 314 H 23 Y -0.003632 0.068138 0.073945 -0.088259 -0.138903 315 H 23 Z -0.065991 -0.020002 0.030884 -0.046342 -0.098607 316 H 24 S -0.170871 0.081653 0.036355 -0.432118 -0.034040 317 H 24 S -0.089191 -0.003777 0.014274 -0.035843 0.030622 318 H 24 X 0.024812 0.009526 -0.066445 -0.025918 0.106358 319 H 24 Y -0.113027 0.011405 0.011831 -0.072399 0.067515 320 H 24 Z -0.106079 0.009801 0.024941 -0.122028 -0.117015 321 H 25 S 0.181426 0.134761 -0.009707 -0.289231 0.292088 322 H 25 S 0.042092 0.008879 -0.015914 0.043940 0.095639 323 H 25 X -0.039708 0.001906 -0.020058 -0.081838 0.097145 324 H 25 Y 0.125738 0.019645 -0.066579 0.057279 0.114043 325 H 25 Z -0.112270 -0.040125 0.016333 0.020384 -0.075273 326 C 26 S 0.223998 0.016269 0.023806 -0.000125 0.017742 327 C 26 S 0.406884 0.059813 0.074089 -0.010879 0.043346 328 C 26 S -2.147047 0.730773 0.614958 -0.404233 -0.004009 329 C 26 X 0.009156 -0.013311 0.006622 -0.002244 -0.016330 330 C 26 Y 0.005021 0.048055 -0.019498 -0.013675 0.047097 331 C 26 Z -0.090514 0.158839 0.105250 -0.050216 0.042295 332 C 26 X -0.732892 0.062642 -0.450528 0.198737 0.386832 333 C 26 Y -0.173561 0.213373 0.163044 0.498391 0.196818 334 C 26 Z -0.646840 0.494587 0.782100 -0.434967 0.056701 335 C 26 XX -0.036711 -0.045001 -0.251856 -0.056167 0.016288 336 C 26 YY 0.129000 -0.037766 -0.047814 0.163338 -0.074837 337 C 26 ZZ -0.092289 0.082767 0.299671 -0.107171 0.058549 338 C 26 XY 0.193093 0.068722 0.027880 -0.093014 -0.125851 339 C 26 XZ -0.120148 0.052643 -0.029996 0.035705 -0.031392 340 C 26 YZ 0.024450 0.071194 -0.054247 -0.032515 0.043944 341 H 27 S -0.038642 -0.044727 0.065039 0.124604 0.186941 342 H 27 S -0.107141 0.166040 -0.056417 0.141159 0.117918 343 H 27 X 0.097789 0.047418 -0.038585 -0.033376 -0.142170 344 H 27 Y -0.006157 0.008982 -0.008000 0.013800 0.060147 345 H 27 Z -0.090002 -0.011859 -0.102630 0.019811 -0.043344 346 H 28 S 0.193885 0.032651 -0.094644 -0.184166 0.017158 347 H 28 S 0.105529 -0.055302 0.058824 -0.163064 -0.027336 348 H 28 X 0.069560 0.069669 0.091887 -0.007899 -0.033740 349 H 28 Y 0.050670 -0.045561 -0.074768 0.000065 0.036439 350 H 28 Z 0.052788 -0.107289 -0.203733 0.104116 0.038492 351 H 29 S 0.394797 0.055121 0.207393 0.017715 -0.150077 352 H 29 S 0.213101 -0.009337 0.241728 -0.056417 -0.069793 353 H 29 X 0.044939 0.000004 0.015565 -0.011505 -0.152599 354 H 29 Y 0.016612 -0.079674 -0.041170 -0.036051 -0.089791 355 H 29 Z -0.000028 -0.130693 -0.192048 0.063084 -0.078409 356 C 30 S 0.004421 0.137907 0.051928 -0.051696 -0.108412 357 C 30 S 0.012289 0.270910 0.096200 -0.113408 -0.215634 358 C 30 S -0.051956 -0.683307 -0.106220 -0.183805 0.545589 359 C 30 X -0.032777 -0.024276 0.018866 0.025072 0.012465 360 C 30 Y -0.009668 0.014884 0.012185 0.020421 0.007504 361 C 30 Z 0.041421 -0.063259 -0.058642 0.092028 0.001167 362 C 30 X 0.390811 -0.158653 0.088371 -0.320085 0.205098 363 C 30 Y -0.078305 -0.164035 -0.435827 0.065507 -0.097553 364 C 30 Z -0.365985 0.204760 0.488211 0.159395 0.088881 365 C 30 XX -0.128821 0.005207 0.037105 -0.046988 0.100890 366 C 30 YY -0.048481 -0.002729 0.256086 0.081224 0.088936 367 C 30 ZZ 0.177302 -0.002478 -0.293191 -0.034236 -0.189826 368 C 30 XY 0.050269 -0.037677 -0.054637 -0.080141 0.074230 369 C 30 XZ -0.055552 0.044682 -0.028929 0.043662 0.002016 370 C 30 YZ -0.084662 0.039238 -0.009637 -0.105675 -0.059704 371 H 31 S -0.028835 0.048675 -0.173084 -0.174511 -0.128851 372 H 31 S 0.060678 -0.057541 -0.179424 0.135267 -0.109368 373 H 31 X 0.000000 0.059446 0.044989 -0.051508 0.003208 374 H 31 Y 0.033882 0.059828 0.068751 0.010125 -0.000075 375 H 31 Z 0.045185 0.069243 -0.026661 -0.040447 -0.070834 376 H 32 S 0.148139 0.051522 0.001557 -0.049077 -0.032484 377 H 32 S 0.254957 0.048434 0.101733 -0.178325 0.069019 378 H 32 X -0.055062 0.023871 0.056374 -0.036443 -0.035218 379 H 32 Y -0.002136 0.051952 0.023510 0.006508 -0.038669 380 H 32 Z 0.015587 -0.031298 -0.121992 -0.041892 -0.098757 381 H 33 S 0.040676 0.141426 0.048549 0.111125 -0.176672 382 H 33 S -0.100089 0.106558 0.031818 0.001851 -0.074503 383 H 33 X -0.025552 -0.009765 0.009664 0.033660 -0.059032 384 H 33 Y 0.057551 0.043968 0.041397 -0.037957 0.009097 385 H 33 Z 0.226146 -0.035257 -0.190103 -0.002601 -0.030124 386 H 34 S -0.024233 0.183506 -0.252889 -0.043746 -0.280822 387 H 34 S 0.091069 -0.036814 0.020232 -0.010033 -0.075580 388 H 34 X -0.039537 0.016828 -0.070799 0.013196 0.097947 389 H 34 Y 0.005946 0.043050 0.066230 0.027698 0.044326 390 H 34 Z -0.011029 0.034679 -0.171512 -0.018935 -0.112944 391 F 35 S 0.014666 -0.009127 -0.004056 -0.000349 -0.009818 392 F 35 S 0.041952 -0.023477 -0.023104 -0.001608 -0.019946 393 F 35 S -0.005780 0.006222 -0.164308 -0.018863 0.102120 394 F 35 X 0.053244 -0.025174 -0.160731 0.013119 0.064611 395 F 35 Y 0.118891 -0.159112 0.048048 -0.114933 0.041063 396 F 35 Z -0.033390 -0.002760 0.073870 0.037728 0.026754 397 F 35 X -0.011515 0.014971 0.147458 -0.033585 -0.079109 398 F 35 Y -0.179503 0.425410 -0.072508 0.262432 -0.068111 399 F 35 Z 0.037012 -0.011471 -0.120361 -0.050123 -0.011155 400 F 35 XX 0.001970 0.005646 -0.003987 0.002282 0.000953 401 F 35 YY -0.001746 0.001198 0.001884 -0.004182 -0.009387 402 F 35 ZZ -0.000225 -0.006844 0.002103 0.001900 0.008434 403 F 35 XY -0.006704 -0.032801 -0.010053 -0.016484 0.003094 404 F 35 XZ -0.007056 0.007387 0.018165 0.004166 -0.008243 405 F 35 YZ -0.008901 0.021988 -0.003025 0.007263 0.001547 406 F 36 S 0.003899 0.004804 0.015043 0.009862 0.000257 407 F 36 S 0.012819 0.015568 0.034497 0.021852 -0.004840 408 F 36 S 0.048479 0.002513 -0.053477 -0.074581 -0.079612 409 F 36 X 0.056250 -0.039217 -0.046930 -0.037810 0.027055 410 F 36 Y 0.045123 -0.104974 0.032861 -0.069820 -0.089607 411 F 36 Z 0.031981 0.021240 0.001450 -0.010423 -0.058635 412 F 36 X -0.066375 0.043427 0.074489 0.062747 -0.006517 413 F 36 Y -0.143536 0.076247 -0.068922 0.093766 0.127187 414 F 36 Z -0.043865 0.002736 -0.069825 -0.013987 0.040521 415 F 36 XX -0.002985 -0.006117 0.007045 0.000244 0.001867 416 F 36 YY -0.005755 0.000803 -0.011849 -0.002040 -0.000054 417 F 36 ZZ 0.008740 0.005314 0.004804 0.001795 -0.001812 418 F 36 XY -0.004769 0.020947 -0.001295 0.008381 0.000402 419 F 36 XZ -0.001505 0.007467 0.000848 -0.004947 -0.013739 420 F 36 YZ 0.017468 0.043695 0.004191 0.014339 -0.001190 421 C 37 S -0.122975 -0.081310 0.087321 0.031530 0.057475 422 C 37 S -0.267782 -0.165258 0.182542 0.071159 0.131960 423 C 37 S 0.379807 1.629212 -1.060457 1.139917 1.730964 424 C 37 X 0.125882 0.043392 -0.030084 -0.069351 -0.089875 425 C 37 Y 0.272940 0.069580 0.029391 -0.007811 0.171070 426 C 37 Z 0.103876 -0.015056 0.041023 -0.007655 0.006881 427 C 37 X -0.158411 -0.835237 0.382298 -0.025784 -0.193392 428 C 37 Y 0.714716 0.457327 0.265467 0.158789 -0.251962 429 C 37 Z 0.108747 -0.145160 0.235371 0.074036 -0.042298 430 C 37 XX 0.053322 0.081074 0.005057 -0.002136 0.011291 431 C 37 YY -0.111889 -0.019089 -0.041794 -0.032758 -0.093705 432 C 37 ZZ 0.058567 -0.061985 0.036738 0.034894 0.082414 433 C 37 XY -0.065647 -0.154899 0.057906 -0.019463 -0.024472 434 C 37 XZ 0.040421 -0.012284 0.022352 0.014370 -0.002593 435 C 37 YZ -0.010278 0.000369 0.135860 -0.045234 0.109490 436 S 38 S 0.012695 0.014020 0.019754 0.005019 -0.002551 437 S 38 S 0.090660 0.098957 0.137373 0.031439 -0.016417 438 S 38 S 0.110414 0.117184 0.149677 0.018344 -0.012992 439 S 38 S -0.036677 -0.783053 -0.386265 -0.848249 -0.174594 440 S 38 X 0.008130 0.026251 -0.022841 0.003517 0.012955 441 S 38 Y -0.014822 0.037520 -0.012754 0.047251 0.034715 442 S 38 Z -0.002975 0.004162 -0.005258 0.003344 0.005744 443 S 38 X 0.024254 0.100347 -0.100865 0.028492 0.057422 444 S 38 Y -0.040885 0.145350 -0.029934 0.185107 0.132618 445 S 38 Z -0.012325 0.014071 -0.034400 0.007766 0.023484 446 S 38 X -0.074928 -0.266086 -0.174681 -0.141469 -0.116018 447 S 38 Y -0.098550 0.206376 0.105815 0.220679 -0.074591 448 S 38 Z -0.070444 0.062679 -0.020141 0.002567 0.035022 449 S 38 XX -0.021635 0.110085 -0.073239 0.074240 0.108461 450 S 38 YY -0.015137 -0.140203 0.011246 -0.100540 -0.075711 451 S 38 ZZ 0.036771 0.030118 0.061992 0.026300 -0.032750 452 S 38 XY -0.021931 0.037522 0.028052 -0.022472 0.035654 453 S 38 XZ -0.027633 0.006966 -0.003574 -0.004357 0.006422 454 S 38 YZ 0.013878 -0.013332 0.061544 0.019390 -0.034915 455 S 38 XX -0.001809 0.011629 -0.005405 0.007050 0.009835 456 S 38 YY -0.002847 -0.015414 0.001840 -0.007997 -0.006009 457 S 38 ZZ 0.004656 0.003785 0.003564 0.000948 -0.003826 458 S 38 XY 0.004143 0.007953 0.007343 -0.005397 0.001955 459 S 38 XZ -0.004936 0.001768 -0.000057 -0.001115 0.000340 460 S 38 YZ 0.001179 -0.000451 0.010266 0.005045 -0.005412 461 H 39 S -0.079623 -0.027939 0.023975 -0.078417 -0.160725 462 H 39 S 0.149281 0.252464 -0.011097 -0.041743 -0.048113 463 H 39 X -0.003133 -0.042279 0.015754 -0.032390 0.004030 464 H 39 Y 0.098611 -0.018896 0.072433 -0.017880 0.112080 465 H 39 Z 0.023720 0.037500 -0.081504 -0.122028 0.095156 301 302 303 304 305 1.8759 1.8830 1.8859 1.8897 1.9131 A A A A A 1 C 1 S 0.029580 -0.038962 -0.012638 0.100349 0.062744 2 C 1 S 0.063845 -0.068153 -0.025763 0.256875 0.159098 3 C 1 S 0.932306 0.587433 0.757521 1.394996 0.675045 4 C 1 X 0.011977 0.013522 0.019717 0.007004 0.018474 5 C 1 Y -0.019258 -0.014780 -0.017830 -0.142468 -0.155903 6 C 1 Z -0.022421 0.001610 0.012475 -0.029914 0.026734 7 C 1 X -0.582462 -0.401527 -0.092891 0.091195 -0.591905 8 C 1 Y -0.076134 0.045173 -0.614094 -0.703790 0.252881 9 C 1 Z 0.060920 0.058850 0.378420 -0.069107 -0.006547 10 C 1 XX -0.044227 0.050842 -0.054490 -0.064137 0.073704 11 C 1 YY 0.043717 -0.016070 0.070730 0.086304 -0.008155 12 C 1 ZZ 0.000509 -0.034772 -0.016240 -0.022167 -0.065549 13 C 1 XY -0.001958 -0.026977 -0.046611 -0.014919 0.033483 14 C 1 XZ 0.024004 0.043155 -0.043256 -0.052548 0.148813 15 C 1 YZ 0.005045 -0.039974 -0.088769 -0.013492 0.007087 16 C 2 S 0.129316 0.027297 0.015048 0.024081 0.078926 17 C 2 S 0.266402 0.050202 0.030396 0.055288 0.145781 18 C 2 S -1.703483 -0.650515 -1.106398 -0.433037 -1.979038 19 C 2 X 0.038213 0.005475 0.043727 0.017479 -0.070746 20 C 2 Y 0.030080 0.007175 -0.043829 0.035202 0.034978 21 C 2 Z -0.011738 0.045118 -0.030560 -0.033637 0.108985 22 C 2 X -1.384311 -0.201456 -0.783065 -1.138388 -0.589939 23 C 2 Y -0.493911 -0.027539 -0.203458 0.008859 -0.592498 24 C 2 Z -0.135611 0.131779 0.018411 -0.082580 0.175456 25 C 2 XX -0.032687 0.012684 0.002494 -0.070830 -0.084483 26 C 2 YY 0.006895 0.018113 0.014771 0.077083 0.033899 27 C 2 ZZ 0.025791 -0.030796 -0.017265 -0.006253 0.050584 28 C 2 XY -0.075259 -0.014500 -0.016768 -0.037238 -0.045396 29 C 2 XZ 0.083964 -0.056433 -0.183511 0.039927 -0.044722 30 C 2 YZ -0.118815 0.091383 0.162323 -0.020218 -0.152757 31 C 3 S 0.009182 -0.154903 0.087007 -0.038965 0.075230 32 C 3 S -0.010737 -0.309217 0.153371 -0.136048 0.113103 33 C 3 S -1.864034 2.894724 -3.539663 -3.196083 -2.366244 34 C 3 X -0.171108 0.032268 -0.106248 -0.107090 -0.026465 35 C 3 Y -0.006191 0.044168 0.053087 -0.020932 0.036694 36 C 3 Z -0.024133 -0.029046 0.028293 -0.026930 0.060613 37 C 3 X 4.039032 -1.486283 3.390374 2.326222 1.707281 38 C 3 Y -0.926705 0.501227 -1.764056 -0.999851 -2.120069 39 C 3 Z 0.558766 -0.343958 -0.039996 0.287325 -0.009026 40 C 3 XX -0.016477 0.027650 -0.000993 0.022418 -0.030152 41 C 3 YY -0.036390 -0.003801 0.034132 0.023217 -0.082682 42 C 3 ZZ 0.052867 -0.023849 -0.033138 -0.045635 0.112833 43 C 3 XY 0.113188 -0.003935 0.146189 0.135809 0.008217 44 C 3 XZ 0.078357 -0.003337 0.124939 0.045505 -0.261789 45 C 3 YZ -0.004709 0.104939 0.127443 0.011425 0.174268 46 C 4 S 0.163212 -0.022563 0.106089 -0.070641 0.072871 47 C 4 S 0.311718 -0.097727 0.173558 -0.143725 0.160970 48 C 4 S -1.965986 -0.921503 -1.283915 0.528200 0.008897 49 C 4 X 0.015524 -0.076919 0.108082 0.061589 -0.015262 50 C 4 Y 0.052022 0.013515 -0.013674 0.288534 -0.055702 51 C 4 Z -0.054366 -0.158831 0.004320 -0.064153 0.093564 52 C 4 X 0.299372 0.739432 -0.349573 -0.244788 -0.960335 53 C 4 Y 1.420237 -0.876300 0.657810 -0.417040 0.238468 54 C 4 Z 0.595413 0.382220 -0.466553 -0.247924 0.454055 55 C 4 XX 0.043942 -0.047344 0.231076 0.096869 0.121876 56 C 4 YY -0.010982 -0.061118 -0.193210 -0.127382 -0.054521 57 C 4 ZZ -0.032960 0.108462 -0.037866 0.030513 -0.067355 58 C 4 XY 0.118284 0.170849 0.035562 0.132647 0.074964 59 C 4 XZ 0.118283 -0.043254 0.048493 0.011683 0.006712 60 C 4 YZ 0.044088 0.014364 0.005761 -0.008157 0.022134 61 S 5 S -0.017429 -0.000879 0.002193 0.019908 -0.005682 62 S 5 S -0.122372 -0.005915 0.018722 0.143075 -0.040026 63 S 5 S -0.141482 -0.001661 0.034293 0.178413 -0.047679 64 S 5 S 0.734949 -0.204198 0.383415 -0.376978 0.391158 65 S 5 X -0.019550 0.008353 -0.016662 0.004847 -0.004935 66 S 5 Y 0.012498 -0.003941 0.004566 -0.004588 0.032013 67 S 5 Z 0.008444 -0.006885 0.009817 -0.005927 0.005615 68 S 5 X -0.076923 0.010875 -0.053557 0.028983 -0.012532 69 S 5 Y 0.054229 -0.009575 0.011065 -0.005320 0.118921 70 S 5 Z 0.033328 -0.027443 0.039369 -0.012098 0.014381 71 S 5 X -0.263648 0.043171 -0.122573 0.162762 -0.073479 72 S 5 Y 0.051206 -0.105867 0.037188 0.060624 -0.057517 73 S 5 Z 0.028024 -0.105118 0.032081 0.073112 0.031461 74 S 5 XX 0.029487 0.060904 -0.013132 -0.054240 -0.021230 75 S 5 YY 0.033979 -0.016369 -0.005770 0.008179 0.031072 76 S 5 ZZ -0.063466 -0.044536 0.018902 0.046061 -0.009842 77 S 5 XY -0.112344 -0.027884 -0.002026 -0.012238 -0.056153 78 S 5 XZ -0.051577 0.021503 -0.036903 -0.049995 0.006163 79 S 5 YZ 0.001287 -0.024454 -0.004150 0.010795 0.052323 80 S 5 XX 0.000993 0.010960 -0.001970 -0.007579 -0.002787 81 S 5 YY 0.008487 -0.004877 -0.002721 0.000155 0.004267 82 S 5 ZZ -0.009480 -0.006083 0.004691 0.007424 -0.001479 83 S 5 XY -0.012728 -0.004162 0.001925 -0.002267 -0.004000 84 S 5 XZ -0.007559 0.003056 -0.004384 -0.011563 0.002574 85 S 5 YZ -0.002386 -0.004602 -0.006137 0.002084 0.008752 86 H 6 S -0.092824 0.025667 -0.071772 -0.167327 0.012359 87 H 6 S -0.326605 -0.027823 -0.150037 -0.201228 -0.176858 88 H 6 X 0.041592 0.044250 0.077928 0.161166 -0.017876 89 H 6 Y -0.025975 -0.049985 -0.037738 -0.168245 0.018852 90 H 6 Z 0.038283 -0.063804 -0.022683 0.073572 -0.369929 91 C 7 S -0.114601 -0.034369 -0.016039 -0.073024 -0.057943 92 C 7 S -0.215937 -0.074744 -0.007218 -0.171463 -0.104317 93 C 7 S 3.121710 -1.535290 2.303069 -0.424746 0.903668 94 C 7 X 0.006611 -0.060484 -0.058907 -0.038401 0.097102 95 C 7 Y -0.029226 0.065711 -0.030712 0.068431 0.053087 96 C 7 Z -0.031367 -0.027887 0.004796 0.035682 -0.034547 97 C 7 X -1.339727 1.134654 -0.674144 1.172642 1.234253 98 C 7 Y -0.386165 0.633819 -0.688586 -0.665286 -0.570632 99 C 7 Z 0.335026 -0.240484 0.192021 -0.156505 -0.164362 100 C 7 XX 0.097375 -0.020866 -0.092467 0.044029 0.048943 101 C 7 YY -0.070970 0.095856 0.070404 -0.075649 0.074552 102 C 7 ZZ -0.026405 -0.074990 0.022063 0.031620 -0.123495 103 C 7 XY -0.060422 0.015776 0.014621 -0.068262 -0.000615 104 C 7 XZ 0.004181 0.009175 -0.010138 0.058874 0.036535 105 C 7 YZ -0.100775 0.005919 0.002314 -0.084753 -0.154733 106 C 8 S -0.272491 0.040041 -0.074894 0.047348 0.105650 107 C 8 S -0.588955 0.122664 -0.175896 0.107205 0.205644 108 C 8 S -0.304462 0.608611 0.157914 0.289636 -1.010277 109 C 8 X -0.136046 0.095464 -0.074315 -0.018348 0.027069 110 C 8 Y -0.003161 0.022259 -0.111642 0.004929 -0.020398 111 C 8 Z -0.031742 -0.019615 -0.006510 -0.000198 0.004472 112 C 8 X -0.017524 0.614228 -0.008151 0.652338 -0.528242 113 C 8 Y 0.891131 0.099312 0.235444 0.678226 0.020025 114 C 8 Z -0.136723 -0.279123 0.012296 0.178266 -0.155626 115 C 8 XX 0.036775 -0.018978 -0.021327 0.010979 -0.016328 116 C 8 YY 0.104766 0.088224 -0.011317 0.006976 -0.066566 117 C 8 ZZ -0.141541 -0.069247 0.032644 -0.017955 0.082894 118 C 8 XY -0.000158 -0.036423 0.103908 0.087927 0.022046 119 C 8 XZ -0.057306 -0.055920 -0.022971 0.012478 -0.007499 120 C 8 YZ 0.081680 0.017622 0.073546 0.069733 -0.036708 121 C 9 S 0.132578 -0.097754 0.094874 -0.061851 0.145288 122 C 9 S 0.274078 -0.202161 0.248012 -0.153607 0.281024 123 C 9 S -0.854221 0.512352 -0.011827 -0.540108 -1.624790 124 C 9 X 0.158911 0.032697 0.038296 0.058695 0.004024 125 C 9 Y 0.058476 -0.066571 -0.065375 -0.152460 0.069527 126 C 9 Z 0.016856 0.034569 0.015214 0.218161 -0.003705 127 C 9 X -0.348635 -0.717087 0.293336 0.117656 1.021788 128 C 9 Y -0.765014 -0.932815 0.333862 0.676399 -1.356869 129 C 9 Z -0.510124 0.573972 -0.314558 -0.730388 -0.249856 130 C 9 XX 0.110151 0.027612 -0.019398 0.106617 -0.103566 131 C 9 YY -0.096384 -0.007446 0.068960 -0.222393 0.139343 132 C 9 ZZ -0.013767 -0.020167 -0.049562 0.115777 -0.035777 133 C 9 XY -0.020668 0.092986 0.100499 -0.002783 0.017812 134 C 9 XZ 0.034863 0.024159 -0.055505 0.068803 0.081071 135 C 9 YZ 0.074094 -0.015328 -0.007456 0.051799 -0.030029 136 C 10 S 0.125858 -0.127739 0.088047 -0.054517 0.007526 137 C 10 S 0.245622 -0.261102 0.179428 -0.109546 -0.007003 138 C 10 S -1.251649 0.556805 -0.264316 0.333604 -1.549309 139 C 10 X 0.043440 -0.014069 0.052320 0.100784 0.080985 140 C 10 Y 0.056807 0.090787 -0.014460 0.003440 -0.040323 141 C 10 Z -0.020946 0.037545 -0.006215 0.001130 -0.015024 142 C 10 X -1.797916 1.099336 -2.744716 -0.636111 0.203543 143 C 10 Y -2.158486 1.335351 -0.731905 1.653949 1.300302 144 C 10 Z 0.097669 -0.173230 0.041033 -0.081813 -0.028132 145 C 10 XX -0.066196 0.088964 0.023031 0.006154 0.038405 146 C 10 YY 0.057126 0.001659 -0.044853 0.103453 -0.018178 147 C 10 ZZ 0.009070 -0.090623 0.021822 -0.109607 -0.020227 148 C 10 XY -0.071944 0.014941 -0.122031 0.111666 0.137586 149 C 10 XZ 0.133445 0.103991 0.010909 0.019524 -0.149221 150 C 10 YZ 0.038195 0.059055 0.127915 0.049996 0.045242 151 C 11 S -0.059077 0.039253 -0.049275 -0.217249 -0.115137 152 C 11 S -0.111040 0.087213 -0.076197 -0.407866 -0.190961 153 C 11 S 2.598937 -1.332633 3.176584 4.210159 4.470020 154 C 11 X -0.050668 0.083157 -0.049199 0.002554 -0.062416 155 C 11 Y -0.039502 -0.070441 0.032157 -0.088858 0.062723 156 C 11 Z 0.054380 -0.029973 0.010750 0.015725 -0.049388 157 C 11 X 2.864132 -1.848054 3.903987 2.436793 1.839665 158 C 11 Y -2.174084 1.760843 -1.349543 -0.132147 0.023149 159 C 11 Z -0.051724 0.149334 0.323935 0.180896 0.098584 160 C 11 XX -0.063324 0.031484 -0.068196 -0.014298 -0.005628 161 C 11 YY -0.008040 0.084412 -0.046733 0.092327 -0.054622 162 C 11 ZZ 0.071364 -0.115896 0.114929 -0.078029 0.060250 163 C 11 XY -0.049543 0.024229 -0.053437 -0.150580 -0.132273 164 C 11 XZ -0.045337 0.157486 0.056760 -0.078959 -0.290658 165 C 11 YZ 0.011607 0.040694 0.068267 0.007753 0.011514 166 C 12 S -0.076298 -0.053684 0.118445 0.021654 -0.187995 167 C 12 S -0.136895 -0.117529 0.212057 0.056917 -0.331953 168 C 12 S -0.059294 0.637145 -2.345261 -0.357024 1.621428 169 C 12 X 0.020342 -0.035001 -0.082090 -0.007949 -0.104670 170 C 12 Y 0.004121 0.041442 0.010960 -0.017510 -0.018985 171 C 12 Z -0.022506 0.050242 -0.047568 -0.026106 -0.045733 172 C 12 X 0.141610 -0.054508 -0.460669 -0.472252 0.789404 173 C 12 Y 0.280586 -0.450204 0.560170 -0.537598 -0.918780 174 C 12 Z 0.138942 -0.291865 0.510777 -0.026664 -0.120096 175 C 12 XX 0.016231 -0.072700 0.077308 -0.005540 -0.068958 176 C 12 YY -0.037583 0.055679 -0.069588 0.088228 0.124118 177 C 12 ZZ 0.021352 0.017021 -0.007720 -0.082688 -0.055160 178 C 12 XY -0.031024 0.003279 -0.036247 -0.010122 -0.046304 179 C 12 XZ 0.105226 0.126545 -0.043987 0.048476 -0.184464 180 C 12 YZ 0.035031 0.004357 -0.049099 0.050048 0.130000 181 C 13 S -0.027501 0.127612 -0.094674 -0.020826 -0.037922 182 C 13 S -0.057655 0.227508 -0.159720 -0.066588 -0.087143 183 C 13 S 0.049040 -1.008002 0.877682 -0.743958 -0.441796 184 C 13 X -0.031082 0.016546 0.014151 -0.065803 -0.051829 185 C 13 Y 0.005856 -0.029021 0.066527 -0.009917 -0.080153 186 C 13 Z 0.001889 -0.086204 0.052280 -0.055474 0.020104 187 C 13 X 0.156316 -0.329459 0.357638 -0.126347 -0.254968 188 C 13 Y 0.085615 -0.022283 0.408451 0.044106 -0.014331 189 C 13 Z -0.029435 0.170974 0.049379 -0.100738 -0.367460 190 C 13 XX 0.014567 -0.104238 0.077090 0.029418 0.055266 191 C 13 YY -0.036491 0.126804 -0.115178 0.030465 -0.007175 192 C 13 ZZ 0.021924 -0.022565 0.038088 -0.059883 -0.048092 193 C 13 XY -0.081917 -0.054229 0.095744 -0.025132 -0.222985 194 C 13 XZ 0.022819 0.040984 0.098495 -0.133548 -0.241358 195 C 13 YZ 0.086598 0.006329 -0.165909 -0.017652 0.117225 196 C 14 S 0.036404 -0.111202 -0.024991 -0.046289 0.184054 197 C 14 S 0.076469 -0.228791 -0.030764 -0.070511 0.372021 198 C 14 S 0.388553 0.305687 1.337225 1.129000 -0.230183 199 C 14 X 0.098103 -0.024819 0.101108 0.073953 0.105459 200 C 14 Y 0.038453 -0.071104 0.038067 0.005300 0.102504 201 C 14 Z 0.002112 0.059024 -0.005485 0.017374 -0.007371 202 C 14 X -0.340361 0.076001 0.209736 -0.101635 -0.504412 203 C 14 Y 0.293087 -0.102029 0.400519 0.546178 -0.142107 204 C 14 Z 0.027487 -0.252642 -0.028681 -0.155672 -0.023103 205 C 14 XX -0.030240 0.029922 -0.093514 -0.056043 0.059224 206 C 14 YY 0.059588 -0.078590 0.000836 0.100386 0.095828 207 C 14 ZZ -0.029348 0.048667 0.092678 -0.044343 -0.155051 208 C 14 XY 0.016605 -0.076465 0.111492 -0.048439 -0.110159 209 C 14 XZ -0.063921 0.131824 0.104765 -0.082310 -0.254885 210 C 14 YZ 0.022982 0.036965 -0.096692 -0.004117 0.124309 211 F 15 S -0.009814 0.000834 -0.011555 -0.002774 0.001359 212 F 15 S -0.028966 0.007046 -0.030176 -0.002887 -0.003453 213 F 15 S -0.042642 0.054882 0.014585 0.042271 -0.082376 214 F 15 X -0.047962 0.007490 -0.032356 -0.035494 0.122686 215 F 15 Y 0.021614 -0.074052 0.044947 -0.038205 -0.026990 216 F 15 Z 0.045767 -0.062732 0.073158 -0.052187 0.033907 217 F 15 X 0.007147 -0.020127 0.079267 0.081576 -0.247149 218 F 15 Y -0.049878 0.136042 -0.073032 0.087667 0.079296 219 F 15 Z -0.066727 0.064210 -0.130677 0.025671 0.014390 220 F 15 XX 0.005161 0.003010 0.003223 0.003128 -0.001319 221 F 15 YY 0.006442 -0.001208 -0.000344 -0.005002 -0.000910 222 F 15 ZZ -0.011603 -0.001802 -0.002880 0.001874 0.002229 223 F 15 XY -0.002702 -0.002825 -0.001117 0.003622 0.008070 224 F 15 XZ -0.006986 -0.012433 0.012435 0.000414 0.003565 225 F 15 YZ -0.005700 0.001734 0.004754 0.000989 -0.007362 226 F 16 S 0.001069 0.003417 0.002535 0.011864 0.000118 227 F 16 S 0.001899 0.004491 0.014334 0.032157 0.004065 228 F 16 S -0.035168 -0.035699 0.107015 0.053369 0.079558 229 F 16 X -0.018425 0.019646 -0.041505 -0.002658 0.159003 230 F 16 Y 0.028984 -0.010580 -0.016617 -0.107159 -0.116027 231 F 16 Z 0.046829 -0.059717 0.075781 -0.046798 -0.070942 232 F 16 X 0.060586 -0.041457 0.112346 0.016457 -0.345785 233 F 16 Y -0.042525 0.082856 -0.044064 0.175642 0.174710 234 F 16 Z -0.081468 0.103559 -0.116863 0.078068 0.118231 235 F 16 XX -0.011566 0.003582 -0.004433 0.001104 0.002127 236 F 16 YY 0.004274 0.002242 0.005547 0.004134 -0.008614 237 F 16 ZZ 0.007291 -0.005825 -0.001114 -0.005238 0.006487 238 F 16 XY 0.009313 0.000862 0.004681 -0.001865 -0.020148 239 F 16 XZ -0.002490 -0.000850 -0.006458 0.000284 0.009849 240 F 16 YZ 0.003390 0.001920 -0.008944 -0.008648 -0.002525 241 F 17 S -0.007505 0.004504 -0.003243 0.005767 -0.001128 242 F 17 S -0.019182 0.005717 -0.009186 0.012805 -0.004988 243 F 17 S 0.030163 -0.114249 -0.001547 -0.022626 -0.008044 244 F 17 X -0.052355 -0.005369 0.056427 -0.011005 -0.132972 245 F 17 Y 0.012154 -0.065238 -0.002939 0.026811 -0.005777 246 F 17 Z -0.021019 -0.008661 0.011120 -0.033104 -0.054628 247 F 17 X 0.090466 0.021632 -0.042242 0.012560 0.177501 248 F 17 Y -0.033284 0.054109 -0.029052 -0.077741 0.033599 249 F 17 Z 0.010705 0.021395 -0.012425 0.042859 0.027247 250 F 17 XX 0.003341 0.001995 -0.007893 0.002190 0.012317 251 F 17 YY -0.004841 0.004014 0.007514 -0.003402 -0.016147 252 F 17 ZZ 0.001500 -0.006010 0.000378 0.001212 0.003830 253 F 17 XY -0.000819 -0.005160 -0.011691 0.005897 0.013996 254 F 17 XZ 0.000237 -0.002585 -0.005912 0.006174 0.014092 255 F 17 YZ 0.002272 -0.008688 -0.001720 0.000533 0.006385 256 F 18 S 0.002932 0.002346 -0.005433 0.000560 0.015834 257 F 18 S 0.006373 0.008259 -0.019998 0.001349 0.047385 258 F 18 S -0.022978 0.019888 -0.046958 0.003709 0.029277 259 F 18 X -0.048059 -0.027758 -0.028345 -0.024852 -0.005272 260 F 18 Y 0.018775 0.015698 0.026649 0.063545 -0.026610 261 F 18 Z -0.006299 -0.037939 0.048635 -0.016353 -0.099455 262 F 18 X 0.135610 0.001576 -0.009652 0.075343 0.158853 263 F 18 Y -0.033925 -0.032673 -0.048260 -0.128552 0.078944 264 F 18 Z 0.028243 0.023048 -0.001538 0.045445 0.111213 265 F 18 XX -0.004761 0.002280 0.007345 -0.005222 -0.017614 266 F 18 YY -0.000315 0.006000 -0.004903 0.001208 -0.000907 267 F 18 ZZ 0.005076 -0.008280 -0.002442 0.004015 0.018520 268 F 18 XY -0.006197 0.009889 -0.000450 -0.002505 -0.009364 269 F 18 XZ 0.008395 -0.009265 -0.009876 0.003569 0.020776 270 F 18 YZ -0.001951 -0.000739 0.005739 -0.004339 -0.009170 271 C 19 S 0.092253 0.028041 0.019620 0.009718 -0.064933 272 C 19 S 0.176100 0.040002 0.036818 -0.002813 -0.115127 273 C 19 S -0.870717 -0.524991 -0.268647 -0.748720 0.718561 274 C 19 X -0.030788 0.058749 0.034322 0.070949 -0.000419 275 C 19 Y 0.049640 0.048236 0.009758 0.083658 -0.044831 276 C 19 Z -0.040922 -0.073538 0.009968 0.026621 -0.016119 277 C 19 X 0.463671 -0.220141 -0.117143 0.070261 -0.129923 278 C 19 Y -0.410474 0.487433 -0.047958 0.431634 -0.232736 279 C 19 Z 0.513749 0.864864 -0.124734 -0.184222 0.163563 280 C 19 XX 0.296869 0.065148 -0.109100 -0.109981 -0.113966 281 C 19 YY 0.077267 -0.228845 0.125142 0.005671 0.059000 282 C 19 ZZ -0.374136 0.163697 -0.016042 0.104310 0.054967 283 C 19 XY 0.139176 -0.049525 0.149077 -0.036417 0.004289 284 C 19 XZ -0.118376 -0.244637 0.027087 0.046449 -0.062203 285 C 19 YZ 0.178871 0.187166 -0.008629 -0.065155 0.000993 286 H 20 S -0.240462 0.099368 0.159017 0.134190 0.031370 287 H 20 S -0.036425 0.162480 -0.000679 -0.002889 -0.063351 288 H 20 X -0.069765 -0.020809 0.077058 0.032076 0.045943 289 H 20 Y 0.255125 -0.228584 0.039227 -0.058418 -0.013277 290 H 20 Z -0.132053 -0.253614 0.066839 0.080256 -0.062288 291 H 21 S 0.590928 0.288352 -0.020017 -0.148851 -0.049573 292 H 21 S 0.140742 0.059557 -0.007626 -0.050597 0.057722 293 H 21 X -0.137589 0.067677 0.030322 -0.011600 -0.001299 294 H 21 Y 0.075569 -0.144889 0.055805 -0.035450 -0.044576 295 H 21 Z -0.196854 -0.297071 0.069177 0.080448 -0.036225 296 C 22 S -0.029337 0.007051 0.001774 0.013114 -0.007271 297 C 22 S -0.064096 0.010365 -0.013219 -0.007545 -0.021249 298 C 22 S 0.055940 -0.035730 -0.509326 -0.841095 0.183004 299 C 22 X 0.017336 0.001204 0.023076 0.018331 0.023840 300 C 22 Y -0.044335 -0.011072 -0.096826 -0.144993 0.002329 301 C 22 Z -0.024023 0.031536 0.078427 -0.028756 0.004500 302 C 22 X 0.150262 0.136594 0.304357 0.746763 0.130314 303 C 22 Y 0.023215 0.044356 -0.041208 -0.461084 -0.138241 304 C 22 Z 0.121729 -0.287170 -0.988092 0.134120 -0.188525 305 C 22 XX 0.004023 -0.047935 -0.068010 -0.007382 0.028445 306 C 22 YY -0.090325 0.012586 -0.047762 -0.302828 -0.084087 307 C 22 ZZ 0.086301 0.035350 0.115772 0.310210 0.055642 308 C 22 XY -0.037480 0.067489 -0.024843 0.058366 0.173692 309 C 22 XZ 0.087717 -0.167192 -0.392875 0.052083 0.050192 310 C 22 YZ -0.023895 0.021306 -0.109660 -0.024166 -0.054299 311 H 23 S 0.060806 0.009826 0.148253 0.238215 -0.098834 312 H 23 S 0.010736 0.063816 0.044144 0.050281 0.013115 313 H 23 X 0.013048 -0.030197 -0.083930 -0.278465 0.002008 314 H 23 Y -0.045590 0.036335 -0.004259 0.138728 0.070557 315 H 23 Z -0.030374 0.086101 0.275159 -0.054108 0.120681 316 H 24 S -0.151852 0.167364 0.407510 -0.256165 -0.020262 317 H 24 S -0.016159 0.004271 0.114610 -0.114141 0.040730 318 H 24 X -0.007877 -0.007878 -0.100493 -0.155996 -0.100213 319 H 24 Y 0.052703 -0.027785 0.097479 0.005522 0.125127 320 H 24 Z -0.058668 0.107821 0.315253 -0.065517 0.110412 321 H 25 S 0.010205 -0.171588 -0.511202 -0.130526 -0.076200 322 H 25 S 0.016497 -0.060306 -0.169955 -0.008634 -0.084532 323 H 25 X -0.015286 -0.015765 0.022123 -0.212192 0.014090 324 H 25 Y 0.083636 -0.036521 -0.141892 0.076703 0.040354 325 H 25 Z -0.035876 0.096465 0.302070 -0.052239 0.062958 326 C 26 S -0.056139 0.074336 0.038341 0.140888 -0.049116 327 C 26 S -0.115381 0.158528 0.070715 0.269364 -0.094744 328 C 26 S 0.080572 -0.161436 -0.306626 -1.031607 0.250153 329 C 26 X 0.002381 0.001929 0.011808 -0.020610 0.005811 330 C 26 Y -0.003835 -0.010537 -0.018321 0.025281 -0.013667 331 C 26 Z -0.025356 0.060588 0.022695 -0.063525 0.021267 332 C 26 X 0.198414 0.338011 -0.216554 0.230375 -0.357190 333 C 26 Y 0.092846 0.409417 -0.005547 -0.615194 0.502991 334 C 26 Z -0.071243 -0.028470 -0.257078 0.156822 -0.073174 335 C 26 XX 0.085081 -0.026868 0.051866 0.122800 -0.197693 336 C 26 YY -0.060431 -0.005236 0.074264 -0.313463 0.186651 337 C 26 ZZ -0.024651 0.032105 -0.126130 0.190663 0.011042 338 C 26 XY -0.086391 -0.074738 0.069864 0.019887 -0.030748 339 C 26 XZ -0.019487 0.066902 -0.007322 -0.056251 -0.119045 340 C 26 YZ 0.042744 0.098264 -0.033725 0.158189 0.011217 341 H 27 S 0.031148 0.173978 -0.090913 0.059015 0.037032 342 H 27 S 0.040317 0.174806 -0.024997 0.045434 -0.059248 343 H 27 X 0.064981 -0.026415 0.024749 -0.059067 0.069568 344 H 27 Y -0.067991 -0.097245 0.049762 0.072067 -0.126213 345 H 27 Z -0.061327 0.032361 0.021628 -0.092836 -0.028127 346 H 28 S 0.046168 -0.012142 -0.021880 0.470877 -0.242328 347 H 28 S -0.114059 -0.110510 -0.033617 0.209693 -0.150966 348 H 28 X -0.067525 -0.076223 0.090027 -0.023597 0.064771 349 H 28 Y 0.021141 -0.121797 0.017426 0.097469 -0.089516 350 H 28 Z 0.068403 -0.115560 0.044257 -0.143518 0.004087 351 H 29 S -0.149015 -0.011414 0.084400 -0.108867 0.112572 352 H 29 S -0.044330 -0.006632 0.030375 0.046656 0.084151 353 H 29 X 0.015831 -0.063594 0.018932 -0.052999 0.063351 354 H 29 Y 0.065656 -0.165612 -0.023565 0.051242 -0.045874 355 H 29 Z 0.036953 0.049031 0.049482 -0.062606 0.131504 356 C 30 S 0.070332 0.037725 -0.124992 0.035401 0.025217 357 C 30 S 0.136642 0.077986 -0.228935 0.075164 0.050132 358 C 30 S -0.508603 -0.176286 1.061575 -0.092501 -0.278657 359 C 30 X -0.057029 -0.018880 0.007985 -0.017963 -0.039533 360 C 30 Y -0.046366 0.032327 -0.060507 -0.026541 0.003785 361 C 30 Z -0.034075 0.027470 -0.040404 0.009883 -0.021846 362 C 30 X 0.261481 -0.226843 0.086184 0.248358 0.572748 363 C 30 Y -0.055470 -0.061341 0.083699 0.502349 -0.014648 364 C 30 Z 0.159890 -0.356698 -0.403076 -0.221522 0.411159 365 C 30 XX 0.003777 -0.139439 0.070989 0.160169 0.058054 366 C 30 YY 0.000760 -0.102034 -0.126399 -0.181420 0.006409 367 C 30 ZZ -0.004537 0.241473 0.055410 0.021251 -0.064463 368 C 30 XY 0.075049 0.054200 0.029721 0.102656 0.134878 369 C 30 XZ -0.009317 0.093296 0.017147 -0.054105 -0.102023 370 C 30 YZ -0.003533 0.014443 0.023674 0.112018 -0.031030 371 H 31 S 0.013356 0.031918 0.038025 0.284090 -0.028899 372 H 31 S 0.006495 0.054826 -0.047662 0.141620 -0.123325 373 H 31 X 0.052059 0.059798 -0.011697 0.022285 -0.108446 374 H 31 Y 0.023461 0.074826 -0.086811 -0.028527 -0.021615 375 H 31 Z -0.024104 0.164727 -0.046033 0.125501 -0.096642 376 H 32 S 0.125076 0.123328 -0.099988 -0.024624 0.136607 377 H 32 S 0.126285 -0.017638 0.031804 0.077230 0.098602 378 H 32 X -0.035664 -0.032751 -0.013695 -0.007471 -0.113791 379 H 32 Y 0.002441 0.074008 -0.067179 -0.046057 -0.034739 380 H 32 Z -0.050559 0.048397 0.021094 -0.024238 -0.157586 381 H 33 S -0.011143 0.086770 -0.167729 -0.194993 -0.169394 382 H 33 S -0.127837 0.163999 -0.100697 -0.058887 -0.156862 383 H 33 X -0.080501 0.012454 -0.039375 -0.030170 -0.112136 384 H 33 Y 0.065055 0.032222 -0.034810 -0.014678 0.035128 385 H 33 Z 0.082134 0.089962 0.122983 -0.003101 -0.049394 386 H 34 S 0.129553 -0.456969 0.085051 0.056921 -0.170325 387 H 34 S -0.041216 -0.213030 0.033977 0.019969 -0.024352 388 H 34 X -0.016365 0.197761 0.035109 -0.028136 0.027494 389 H 34 Y 0.262605 0.047039 0.032141 -0.097088 0.027895 390 H 34 Z -0.110810 -0.217468 0.042257 0.062960 -0.065845 391 F 35 S -0.003289 0.000785 -0.009124 -0.003807 0.010403 392 F 35 S -0.005364 0.010878 -0.026592 -0.014082 0.017233 393 F 35 S 0.051289 0.059538 0.000833 -0.005021 -0.083801 394 F 35 X 0.044318 0.052067 -0.011605 -0.059520 -0.081289 395 F 35 Y -0.048997 0.034205 0.078367 0.016372 -0.100630 396 F 35 Z 0.000084 -0.018748 0.059318 0.033642 -0.041599 397 F 35 X -0.054954 0.034387 -0.040315 0.031404 0.043921 398 F 35 Y 0.059923 -0.063982 -0.109135 -0.041806 0.076992 399 F 35 Z -0.006883 -0.029353 -0.063984 -0.064510 0.095297 400 F 35 XX 0.000699 -0.000502 -0.000619 0.000735 0.000639 401 F 35 YY -0.000103 0.006572 -0.006531 0.008754 0.007119 402 F 35 ZZ -0.000596 -0.006070 0.007150 -0.009489 -0.007758 403 F 35 XY 0.005634 0.005518 -0.012030 0.001295 0.023473 404 F 35 XZ -0.001427 0.000164 0.000141 0.008111 0.006332 405 F 35 YZ -0.002041 -0.000539 -0.004880 0.000648 -0.004696 406 F 36 S -0.003405 0.019395 -0.001535 0.002502 -0.021338 407 F 36 S -0.010079 0.059889 -0.012647 0.010584 -0.055876 408 F 36 S -0.015469 0.124867 -0.108451 0.038473 -0.013742 409 F 36 X 0.001248 0.079180 -0.025087 -0.024186 -0.118438 410 F 36 Y 0.049636 -0.032487 -0.006341 -0.035503 0.065110 411 F 36 Z -0.004613 0.124758 -0.057343 0.036096 -0.072787 412 F 36 X -0.011694 -0.086087 0.041277 0.005862 0.137451 413 F 36 Y -0.037382 0.029402 -0.045619 0.041193 -0.074123 414 F 36 Z 0.000353 -0.118381 0.003911 -0.000809 0.139255 415 F 36 XX -0.001185 -0.012913 0.006600 -0.002339 0.003643 416 F 36 YY 0.004576 -0.003581 -0.004128 0.002646 0.012033 417 F 36 ZZ -0.003391 0.016494 -0.002473 -0.000307 -0.015676 418 F 36 XY 0.001652 -0.003904 -0.000576 -0.003049 0.002871 419 F 36 XZ -0.001415 -0.000766 -0.010418 0.009362 0.014659 420 F 36 YZ -0.007926 -0.001346 0.015453 -0.000147 -0.004051 421 C 37 S -0.121288 -0.065526 -0.003777 0.012179 0.003364 422 C 37 S -0.222353 -0.156020 -0.015271 0.025538 0.014861 423 C 37 S 1.660031 0.219131 -0.067093 0.037910 0.900624 424 C 37 X 0.029671 0.053553 0.001724 0.001949 -0.051469 425 C 37 Y -0.047244 -0.103765 0.111101 0.048039 0.032403 426 C 37 Z -0.003635 -0.005897 0.068786 0.041510 -0.022804 427 C 37 X -1.100288 -0.237643 0.265009 -0.119552 -0.116428 428 C 37 Y 0.795237 -0.384999 0.075099 -0.244641 0.256121 429 C 37 Z 0.134201 -0.177475 0.093984 -0.046071 0.117287 430 C 37 XX 0.099888 0.045529 0.072446 -0.014817 0.019979 431 C 37 YY 0.022491 -0.073670 -0.035457 -0.040359 -0.043184 432 C 37 ZZ -0.122380 0.028141 -0.036989 0.055176 0.023205 433 C 37 XY -0.163987 0.026263 -0.055671 -0.020254 0.031586 434 C 37 XZ -0.085032 0.030548 -0.000727 -0.025755 0.014829 435 C 37 YZ 0.154363 0.206175 0.009383 0.034832 -0.022089 436 S 38 S 0.011964 -0.000222 0.008031 -0.006331 -0.005602 437 S 38 S 0.084024 -0.002537 0.056386 -0.040808 -0.041506 438 S 38 S 0.100574 -0.009330 0.065074 -0.031240 -0.057935 439 S 38 S -0.388968 0.021757 -0.105987 0.637312 0.085526 440 S 38 X 0.007938 0.008199 0.008186 0.005533 -0.001080 441 S 38 Y -0.005030 0.017028 0.006453 -0.023139 0.012659 442 S 38 Z -0.000696 0.004066 -0.001025 0.000246 0.005681 443 S 38 X 0.037209 0.026270 0.037584 0.009346 -0.000213 444 S 38 Y -0.026862 0.072218 0.035919 -0.091718 0.050466 445 S 38 Z -0.000025 0.018433 -0.004735 0.009525 0.029692 446 S 38 X 0.000452 -0.011042 -0.009041 -0.044574 -0.177572 447 S 38 Y 0.166618 0.023561 -0.008828 -0.242465 -0.149704 448 S 38 Z -0.006133 0.057888 -0.020866 0.034880 -0.005369 449 S 38 XX -0.012795 0.039185 0.037101 -0.009528 0.016871 450 S 38 YY -0.013749 -0.068277 -0.063243 0.041640 -0.016667 451 S 38 ZZ 0.026545 0.029093 0.026142 -0.032112 -0.000204 452 S 38 XY -0.099041 0.033009 -0.055584 0.070118 0.028209 453 S 38 XZ -0.015940 0.009560 -0.012740 -0.000734 -0.004340 454 S 38 YZ -0.013674 -0.041068 0.002240 -0.064352 -0.032234 455 S 38 XX 0.001006 0.001322 0.004708 -0.002025 -0.000189 456 S 38 YY -0.003479 -0.006856 -0.007207 0.002923 0.001449 457 S 38 ZZ 0.002473 0.005534 0.002499 -0.000897 -0.001259 458 S 38 XY -0.013030 0.004266 -0.007332 0.011089 0.003013 459 S 38 XZ -0.003997 0.000179 -0.002518 -0.000169 -0.001253 460 S 38 YZ -0.003627 -0.008488 -0.000137 -0.012562 -0.005452 461 H 39 S 0.066549 0.011366 -0.138160 0.009259 -0.084377 462 H 39 S 0.362776 0.013409 -0.036993 0.008203 0.016156 463 H 39 X -0.096342 0.008312 -0.076052 0.035942 0.010990 464 H 39 Y -0.340896 0.068025 -0.060248 0.089802 0.027793 465 H 39 Z 0.034462 0.073286 -0.095936 0.139511 -0.004189 306 307 308 309 310 1.9229 1.9318 1.9354 1.9495 1.9554 A A A A A 1 C 1 S 0.014793 0.122885 0.024859 -0.109569 0.022748 2 C 1 S 0.029931 0.266038 0.024647 -0.237136 0.049664 3 C 1 S 0.759808 -0.669854 -0.383668 0.612398 0.227419 4 C 1 X -0.090470 0.074817 0.048031 0.097047 0.092852 5 C 1 Y -0.008019 -0.180106 0.039417 0.123574 -0.034710 6 C 1 Z -0.006562 -0.007554 -0.019117 -0.003262 0.025113 7 C 1 X 0.000913 -0.399899 -0.171639 -0.040748 -0.107220 8 C 1 Y 0.377944 0.253470 0.606051 -0.593808 -0.315988 9 C 1 Z 0.188333 0.069188 0.082086 -0.084049 0.052687 10 C 1 XX -0.010162 0.026836 -0.029394 -0.033780 -0.058957 11 C 1 YY -0.040833 -0.044229 -0.096270 0.109577 0.113414 12 C 1 ZZ 0.050995 0.017393 0.125663 -0.075796 -0.054457 13 C 1 XY -0.043701 0.060746 0.014059 -0.022613 0.022309 14 C 1 XZ 0.134185 -0.063066 0.140783 0.106012 -0.003179 15 C 1 YZ -0.030585 -0.000442 -0.039476 -0.010819 0.015752 16 C 2 S 0.114487 0.018974 0.179459 -0.014587 -0.006619 17 C 2 S 0.219664 0.052146 0.382970 -0.008938 0.002668 18 C 2 S -1.840871 -0.036963 -0.746678 -0.282981 -0.280636 19 C 2 X 0.039605 -0.062590 0.061179 0.107792 0.028938 20 C 2 Y 0.031064 0.099870 0.073378 -0.093682 -0.020997 21 C 2 Z 0.020206 -0.035455 0.058848 0.035967 -0.017387 22 C 2 X -0.820059 0.160196 0.032913 -0.353024 -0.790228 23 C 2 Y -1.053611 0.113367 -0.402751 0.179769 -0.204590 24 C 2 Z 0.051718 -0.037568 0.055637 0.082701 -0.012756 25 C 2 XX -0.029136 -0.044540 0.025395 0.121158 0.035427 26 C 2 YY -0.028184 -0.016426 -0.114968 -0.018158 0.021901 27 C 2 ZZ 0.057319 0.060965 0.089573 -0.103000 -0.057328 28 C 2 XY 0.080370 -0.006487 -0.079942 -0.104925 -0.057872 29 C 2 XZ 0.043032 -0.004539 -0.013565 0.038475 -0.034288 30 C 2 YZ 0.025095 0.027187 -0.050936 -0.043848 -0.083626 31 C 3 S 0.205998 0.006915 -0.086601 -0.134862 0.136631 32 C 3 S 0.389288 -0.012280 -0.164218 -0.256416 0.273623 33 C 3 S -2.887359 -1.881658 0.850390 2.417845 -3.592017 34 C 3 X 0.020062 0.215651 0.036138 -0.127761 -0.011257 35 C 3 Y -0.043082 -0.010520 -0.009702 0.118677 0.016972 36 C 3 Z 0.040623 0.001505 -0.047005 0.023289 0.080407 37 C 3 X 3.115727 -0.219124 -0.644134 0.344085 4.519159 38 C 3 Y -2.217048 -0.566806 -0.205314 0.115342 -0.729630 39 C 3 Z -0.089480 0.072853 0.063080 -0.126000 0.223661 40 C 3 XX -0.053669 0.173897 0.105813 0.126866 0.076802 41 C 3 YY -0.054766 -0.102607 -0.133137 0.101484 0.054869 42 C 3 ZZ 0.108434 -0.071290 0.027323 -0.228349 -0.131671 43 C 3 XY -0.021998 0.061684 0.053585 0.291837 0.188677 44 C 3 XZ 0.140699 0.090228 -0.041520 -0.000270 -0.076054 45 C 3 YZ 0.048531 -0.061327 0.130723 0.072266 -0.075756 46 C 4 S -0.070888 0.090135 -0.063452 0.018425 0.376704 47 C 4 S -0.137760 0.171583 -0.082046 -0.006236 0.701674 48 C 4 S 0.051136 -0.231984 1.669466 -0.944076 -3.469797 49 C 4 X -0.005003 0.072293 -0.016994 0.165445 0.135780 50 C 4 Y -0.101159 0.005400 0.177901 0.180103 -0.024298 51 C 4 Z -0.039799 0.261023 0.046710 -0.007437 0.044624 52 C 4 X -0.495301 -0.222726 0.236662 0.408237 0.067610 53 C 4 Y 1.616033 0.230182 0.372330 0.252222 1.524001 54 C 4 Z -0.606878 -0.504404 0.546852 0.688554 0.237087 55 C 4 XX 0.002885 0.012552 -0.242161 -0.061112 -0.003632 56 C 4 YY -0.027502 0.148480 0.218294 0.063753 -0.050064 57 C 4 ZZ 0.024617 -0.161032 0.023867 -0.002642 0.053696 58 C 4 XY -0.032831 0.053165 0.120615 0.016856 -0.005091 59 C 4 XZ 0.103215 -0.101000 0.051789 0.039575 0.040293 60 C 4 YZ -0.149816 -0.033704 0.004126 0.089065 -0.051043 61 S 5 S 0.019657 -0.037689 -0.001385 -0.006955 -0.007687 62 S 5 S 0.145873 -0.273067 -0.008994 -0.050196 -0.048798 63 S 5 S 0.205339 -0.353250 -0.003821 -0.065307 -0.036367 64 S 5 S -0.135070 0.762577 -0.156155 0.319520 0.835357 65 S 5 X -0.033328 0.015558 0.000010 -0.008374 -0.037567 66 S 5 Y 0.016585 0.001953 0.012202 -0.004189 0.030167 67 S 5 Z 0.021591 0.004907 -0.010130 -0.009011 0.023010 68 S 5 X -0.126092 0.052593 -0.016464 -0.026771 -0.135191 69 S 5 Y 0.051200 0.003253 0.047273 -0.000364 0.118034 70 S 5 Z 0.078168 0.032774 -0.037834 -0.037550 0.091684 71 S 5 X 0.127880 -0.273311 0.066782 -0.143551 -0.357974 72 S 5 Y 0.132815 -0.153228 -0.201667 0.059721 0.089873 73 S 5 Z -0.016797 0.117755 -0.012546 0.062295 0.037303 74 S 5 XX 0.018417 0.001283 0.035145 0.003948 0.056151 75 S 5 YY 0.021016 0.009919 0.015732 -0.033645 -0.032034 76 S 5 ZZ -0.039432 -0.011201 -0.050877 0.029697 -0.024117 77 S 5 XY -0.021290 0.012834 -0.012519 -0.061017 -0.133140 78 S 5 XZ -0.028081 -0.071635 0.007526 0.008476 -0.049493 79 S 5 YZ 0.049496 0.058336 0.033454 0.017071 0.046006 80 S 5 XX 0.001638 0.001061 0.005360 -0.003942 0.004752 81 S 5 YY 0.007977 0.000331 0.003065 -0.004189 -0.005406 82 S 5 ZZ -0.009615 -0.001392 -0.008424 0.008131 0.000655 83 S 5 XY 0.000193 0.001833 -0.002790 -0.009811 -0.012238 84 S 5 XZ -0.000234 -0.012134 -0.000088 0.002140 -0.003238 85 S 5 YZ 0.006802 0.010703 0.008400 0.004389 0.005951 86 H 6 S -0.177777 0.064872 0.091542 0.045360 -0.123641 87 H 6 S -0.281752 0.046060 -0.065528 -0.095987 -0.180450 88 H 6 X 0.003754 -0.017073 -0.033452 0.021240 -0.054917 89 H 6 Y 0.122180 -0.053043 -0.053357 -0.127483 0.059442 90 H 6 Z -0.018153 0.066515 -0.146947 -0.065109 -0.076479 91 C 7 S -0.096563 0.113349 -0.135018 0.145384 -0.171879 92 C 7 S -0.243225 0.220556 -0.231123 0.302859 -0.302184 93 C 7 S -1.162542 -1.336965 2.762989 -0.990790 5.967248 94 C 7 X -0.045561 0.124286 -0.014242 -0.003916 -0.037578 95 C 7 Y 0.047955 -0.041684 -0.000665 -0.130597 0.032793 96 C 7 Z 0.078484 -0.088774 -0.035553 -0.041648 -0.011797 97 C 7 X 0.941679 1.346241 0.261622 1.197352 -3.722525 98 C 7 Y 0.559079 0.806156 -0.044534 -0.349953 -2.875480 99 C 7 Z -0.135972 -0.144290 0.254818 -0.039639 0.424035 100 C 7 XX 0.044524 -0.019467 -0.179307 0.243228 -0.048810 101 C 7 YY -0.076300 0.012442 0.232721 -0.195793 -0.033528 102 C 7 ZZ 0.031776 0.007025 -0.053414 -0.047435 0.082338 103 C 7 XY -0.107280 0.073898 -0.003913 -0.091927 0.304680 104 C 7 XZ 0.089495 0.086358 -0.069757 0.162114 -0.078318 105 C 7 YZ 0.061059 0.025059 -0.028145 -0.064165 0.008489 106 C 8 S 0.121222 -0.019499 -0.053211 0.107453 0.030608 107 C 8 S 0.218660 -0.046052 -0.098585 0.206608 0.128249 108 C 8 S -1.292988 -0.360362 0.598906 -0.948842 -0.079962 109 C 8 X -0.032223 -0.061271 0.032216 0.011252 0.235591 110 C 8 Y 0.169379 -0.063713 -0.092737 -0.013117 0.131839 111 C 8 Z 0.021386 0.000851 -0.065082 -0.016804 -0.021920 112 C 8 X -0.033189 0.273734 0.214569 -0.034030 -0.521141 113 C 8 Y 0.833582 0.472779 0.200102 0.049113 -1.066745 114 C 8 Z 0.259698 -0.036865 0.068829 0.074187 -0.016582 115 C 8 XX -0.009493 0.072315 -0.051586 -0.067916 0.112298 116 C 8 YY -0.090621 -0.001142 0.060614 -0.022048 -0.010735 117 C 8 ZZ 0.100114 -0.071173 -0.009028 0.089964 -0.101562 118 C 8 XY 0.068225 0.012099 -0.039399 -0.021783 -0.076675 119 C 8 XZ 0.024880 0.026057 -0.065323 -0.008156 -0.065670 120 C 8 YZ -0.065864 -0.030227 0.162176 -0.013259 0.156555 121 C 9 S -0.214233 0.119280 0.015981 0.023020 -0.020076 122 C 9 S -0.433265 0.211092 -0.027460 0.034039 -0.013015 123 C 9 S 0.277334 -1.613529 -1.453746 -0.388060 0.602623 124 C 9 X 0.162620 -0.033357 -0.018407 0.059139 -0.220098 125 C 9 Y 0.193981 0.146798 0.151005 -0.047709 -0.038776 126 C 9 Z -0.068499 -0.033720 0.173282 0.094162 0.029749 127 C 9 X -0.406875 -0.193835 0.112649 0.327340 0.715038 128 C 9 Y 0.010386 -1.157049 -0.178954 -0.961445 0.001145 129 C 9 Z -1.048042 0.133334 -0.917098 -0.889937 -0.387267 130 C 9 XX 0.156376 0.036297 -0.058701 -0.144227 -0.033321 131 C 9 YY -0.176223 0.012462 -0.087317 -0.045353 0.224776 132 C 9 ZZ 0.019847 -0.048759 0.146018 0.189580 -0.191455 133 C 9 XY -0.102596 0.132441 0.134283 0.037150 -0.022779 134 C 9 XZ 0.100362 0.014958 -0.136010 0.047322 -0.041668 135 C 9 YZ 0.031887 -0.091683 0.030477 0.059770 0.210542 136 C 10 S -0.014246 -0.069389 -0.146947 0.061793 0.198034 137 C 10 S -0.010235 -0.127426 -0.290753 0.072741 0.350990 138 C 10 S 1.789515 2.985953 0.483480 -2.301781 -4.381326 139 C 10 X 0.071791 -0.088954 0.091255 0.001214 -0.104018 140 C 10 Y 0.031936 0.021804 0.192576 0.068789 -0.089134 141 C 10 Z 0.074506 0.004611 -0.016981 0.006724 -0.003776 142 C 10 X 0.623395 -0.221610 -2.364421 1.108627 -4.422571 143 C 10 Y 0.383822 1.303888 -0.611602 2.166763 -2.877604 144 C 10 Z -0.271803 -0.057611 0.105725 0.044879 0.431134 145 C 10 XX -0.114532 -0.051625 0.161627 -0.048357 0.056414 146 C 10 YY 0.145976 -0.005314 -0.037511 0.007318 -0.112379 147 C 10 ZZ -0.031444 0.056939 -0.124116 0.041038 0.055965 148 C 10 XY 0.119871 0.207586 -0.123058 -0.011589 -0.167222 149 C 10 XZ -0.050320 0.131960 -0.044180 0.042861 0.246970 150 C 10 YZ 0.000688 0.003508 0.028049 0.077135 0.088452 151 C 11 S -0.125667 0.084119 0.083355 -0.120508 -0.072675 152 C 11 S -0.233167 0.160040 0.154453 -0.203763 -0.112450 153 C 11 S 4.153603 -0.590992 -2.492399 2.953072 3.300966 154 C 11 X -0.055593 -0.134483 -0.007031 0.063204 -0.100991 155 C 11 Y -0.029165 0.068978 0.024265 -0.150883 0.154967 156 C 11 Z 0.038914 0.006353 -0.053123 0.005287 0.028097 157 C 11 X 2.379221 2.871450 1.509769 -2.168760 4.225708 158 C 11 Y -1.759960 0.206548 0.822580 2.323439 -2.747723 159 C 11 Z 0.235577 0.218937 0.050728 -0.037119 -0.003429 160 C 11 XX -0.014566 -0.134790 -0.028775 -0.087095 -0.001893 161 C 11 YY -0.016469 0.070880 0.102371 0.222799 -0.036919 162 C 11 ZZ 0.031035 0.063909 -0.073595 -0.135704 0.038813 163 C 11 XY -0.178156 -0.317475 0.025474 0.169572 -0.068479 164 C 11 XZ 0.144135 0.058426 0.029508 -0.019174 -0.019207 165 C 11 YZ -0.032998 -0.015133 0.037559 0.028302 0.051286 166 C 12 S -0.014855 0.155724 0.042848 -0.115494 -0.011471 167 C 12 S -0.002182 0.283049 0.045075 -0.204977 -0.034658 168 C 12 S 0.210006 -1.918893 -1.633416 1.339247 -1.288232 169 C 12 X 0.107963 0.235805 -0.258646 0.049630 -0.091210 170 C 12 Y -0.022699 0.090793 0.013143 -0.007456 0.054520 171 C 12 Z -0.060179 0.022895 0.058736 0.039924 -0.039081 172 C 12 X -0.242014 -1.396756 -0.232006 0.151284 0.205293 173 C 12 Y -0.206255 -0.037440 0.349298 -0.675113 0.450587 174 C 12 Z 0.048572 0.260528 -0.133950 -0.269499 0.512930 175 C 12 XX -0.013039 0.019152 -0.118076 -0.005056 0.059904 176 C 12 YY 0.138852 0.108689 0.045480 -0.136076 -0.081527 177 C 12 ZZ -0.125813 -0.127841 0.072596 0.141132 0.021623 178 C 12 XY -0.034529 0.070901 -0.036480 -0.064164 0.032008 179 C 12 XZ 0.018291 0.067200 0.084025 -0.025217 0.006413 180 C 12 YZ 0.004019 -0.124324 0.070769 0.122222 -0.040829 181 C 13 S -0.144897 -0.073480 0.171664 0.005930 -0.013286 182 C 13 S -0.303570 -0.170079 0.313387 0.023906 -0.019579 183 C 13 S 0.130388 -0.593990 -1.365736 0.380639 0.157712 184 C 13 X -0.123235 -0.141828 0.024494 0.058557 0.009681 185 C 13 Y 0.018226 0.058210 0.089116 -0.147719 0.059679 186 C 13 Z -0.018212 0.008197 -0.068578 -0.029751 0.069617 187 C 13 X 0.543299 0.670193 -0.749494 0.109650 -0.087561 188 C 13 Y -0.005023 0.652989 0.551861 -0.420483 0.345665 189 C 13 Z -0.106480 -0.180799 0.214994 0.197040 -0.266757 190 C 13 XX 0.093804 -0.021241 -0.079599 0.029968 -0.052512 191 C 13 YY -0.005540 0.194760 0.030921 -0.125438 0.070778 192 C 13 ZZ -0.088264 -0.173519 0.048679 0.095469 -0.018265 193 C 13 XY -0.091814 0.130103 -0.050394 -0.069345 0.052531 194 C 13 XZ -0.047329 0.113929 -0.008532 0.044217 0.000964 195 C 13 YZ -0.022451 0.004239 0.104993 -0.016263 0.011630 196 C 14 S 0.055321 -0.283520 -0.289134 0.161987 0.007686 197 C 14 S 0.107343 -0.501306 -0.541023 0.296503 0.023922 198 C 14 S -0.182075 3.452358 3.417332 -2.291287 1.157204 199 C 14 X 0.164327 0.351491 0.023823 -0.094957 0.024913 200 C 14 Y -0.036328 -0.007017 0.007585 0.044525 0.057751 201 C 14 Z -0.010839 0.037399 0.053600 -0.000117 -0.031528 202 C 14 X -0.742030 0.126420 0.622572 -0.273036 -0.027114 203 C 14 Y 0.454329 1.088097 0.844203 -1.455973 0.571414 204 C 14 Z 0.096687 -0.203688 -0.366604 -0.018697 0.094018 205 C 14 XX -0.019446 0.011301 0.072120 -0.030169 -0.139407 206 C 14 YY 0.031562 0.028105 -0.081188 -0.027144 0.145856 207 C 14 ZZ -0.012116 -0.039406 0.009067 0.057313 -0.006450 208 C 14 XY -0.081626 -0.008642 -0.036527 0.046247 0.021455 209 C 14 XZ 0.033271 0.016117 0.058116 0.061666 -0.033619 210 C 14 YZ 0.010084 0.087097 0.003957 0.048466 -0.004237 211 F 15 S -0.024183 -0.002286 0.010297 0.018200 -0.012444 212 F 15 S -0.054419 0.003744 0.033146 0.030636 -0.039399 213 F 15 S 0.065775 0.076097 0.104440 -0.146805 -0.072294 214 F 15 X -0.058082 -0.106024 0.062314 -0.040111 0.015651 215 F 15 Y 0.006227 0.031522 -0.039499 -0.065354 0.038169 216 F 15 Z -0.046074 -0.080038 -0.049449 0.066204 0.125621 217 F 15 X 0.147366 0.310987 -0.138162 0.024394 -0.120983 218 F 15 Y -0.003185 -0.010635 0.015700 0.136263 -0.047100 219 F 15 Z 0.006654 0.000837 0.030981 0.052309 -0.186980 220 F 15 XX -0.005323 -0.001957 0.006859 0.001910 0.008856 221 F 15 YY 0.007487 0.001140 -0.009002 -0.006158 0.007219 222 F 15 ZZ -0.002164 0.000817 0.002143 0.004248 -0.016075 223 F 15 XY 0.004693 0.000234 -0.009364 0.006950 -0.006449 224 F 15 XZ 0.008184 0.010102 -0.018995 0.000288 -0.003416 225 F 15 YZ -0.001459 0.010524 -0.010300 -0.000043 0.003088 226 F 16 S 0.013187 0.002268 -0.002239 -0.018551 0.007757 227 F 16 S 0.025493 0.005146 -0.005131 -0.039986 0.030110 228 F 16 S -0.063760 0.053626 0.010294 0.084070 0.090798 229 F 16 X -0.044592 -0.223145 -0.012578 0.031105 0.056423 230 F 16 Y -0.013899 -0.051778 0.018512 -0.091216 -0.027935 231 F 16 Z -0.036892 -0.060286 -0.028652 0.015673 0.077310 232 F 16 X 0.073927 0.419651 0.024566 -0.027182 -0.082630 233 F 16 Y 0.084904 0.117660 -0.039347 0.127995 -0.041938 234 F 16 Z 0.003046 0.062543 0.061930 0.059371 -0.117516 235 F 16 XX -0.004530 0.004688 0.001378 -0.007376 -0.005013 236 F 16 YY -0.000095 0.005573 -0.001822 0.010163 0.001764 237 F 16 ZZ 0.004625 -0.010261 0.000444 -0.002787 0.003249 238 F 16 XY 0.000152 0.008484 0.001948 0.004563 -0.002591 239 F 16 XZ 0.001188 0.000540 -0.004614 -0.007944 0.003085 240 F 16 YZ -0.005869 -0.006605 0.000706 0.007383 -0.003433 241 F 17 S 0.006675 -0.012225 -0.012880 0.015217 -0.002479 242 F 17 S 0.023668 -0.044768 -0.040860 0.028327 -0.007998 243 F 17 S 0.104630 -0.134419 -0.142170 -0.158958 0.021931 244 F 17 X -0.074579 -0.059213 0.034304 -0.130482 0.024407 245 F 17 Y 0.103488 0.017974 -0.007368 -0.166937 0.032082 246 F 17 Z 0.017877 -0.106160 -0.030596 0.022407 -0.032227 247 F 17 X 0.170002 0.098329 -0.076983 0.265602 -0.059997 248 F 17 Y -0.158764 -0.186939 -0.082296 0.282353 -0.084414 249 F 17 Z 0.000406 0.108340 0.049354 -0.091603 0.000141 250 F 17 XX 0.000385 -0.003836 0.002885 -0.006078 -0.001094 251 F 17 YY 0.003955 0.008184 0.003612 -0.001268 -0.006313 252 F 17 ZZ -0.004340 -0.004348 -0.006497 0.007346 0.007406 253 F 17 XY -0.004494 -0.004107 -0.001568 -0.012204 0.005294 254 F 17 XZ 0.003012 0.001393 -0.002506 -0.015193 0.005234 255 F 17 YZ 0.010986 -0.012784 -0.014415 -0.004900 0.004050 256 F 18 S -0.010036 -0.009920 0.000994 0.000146 -0.002027 257 F 18 S -0.024813 -0.030934 -0.002763 0.005471 -0.007395 258 F 18 S 0.024190 -0.098622 -0.086008 0.062584 -0.035256 259 F 18 X -0.065668 -0.064808 -0.052087 -0.085033 0.000750 260 F 18 Y 0.052214 0.003773 0.028661 -0.065397 0.046581 261 F 18 Z 0.016840 -0.020117 -0.020895 -0.045950 0.024658 262 F 18 X 0.160530 0.125887 0.042193 0.146695 -0.004852 263 F 18 Y -0.123408 -0.100033 -0.109613 0.214333 -0.072776 264 F 18 Z -0.050103 0.062231 0.080778 0.042823 -0.010892 265 F 18 XX 0.006961 -0.008428 -0.002542 -0.007157 -0.000153 266 F 18 YY 0.000919 0.016117 0.007307 0.001607 -0.001014 267 F 18 ZZ -0.007880 -0.007689 -0.004765 0.005550 0.001167 268 F 18 XY -0.003567 -0.006986 -0.001741 0.009381 -0.001741 269 F 18 XZ 0.003277 0.004782 0.000354 0.000949 -0.002727 270 F 18 YZ -0.009097 0.000810 -0.000954 0.007835 0.005064 271 C 19 S -0.011275 0.014069 0.040805 -0.027073 -0.031426 272 C 19 S -0.027558 0.029269 0.073249 -0.043095 -0.062577 273 C 19 S -0.117196 -0.314129 -0.501131 0.347070 0.833626 274 C 19 X -0.014140 0.040302 -0.006917 -0.038272 -0.060581 275 C 19 Y 0.016798 0.000131 0.022551 -0.027386 -0.014433 276 C 19 Z 0.011240 -0.007867 0.076013 0.022087 0.020759 277 C 19 X 0.394295 -0.246950 0.146842 0.038032 -0.104351 278 C 19 Y 0.033424 0.112409 0.131770 -0.168642 0.083564 279 C 19 Z -0.170235 0.163913 -0.358327 -0.161030 -0.236965 280 C 19 XX -0.099121 -0.062803 0.111955 0.017389 0.279066 281 C 19 YY 0.046981 0.047322 0.009665 0.013754 -0.255621 282 C 19 ZZ 0.052140 0.015481 -0.121620 -0.031143 -0.023444 283 C 19 XY -0.099374 0.087881 0.026197 -0.016096 -0.200581 284 C 19 XZ 0.048303 -0.031706 0.088855 0.044988 0.026657 285 C 19 YZ 0.039988 -0.021598 -0.224329 -0.060332 -0.096069 286 H 20 S -0.054488 0.159372 -0.046107 -0.083293 -0.215537 287 H 20 S -0.183803 0.083956 0.031345 -0.032909 0.120297 288 H 20 X -0.012625 0.079219 -0.056038 -0.027974 -0.138372 289 H 20 Y 0.068160 -0.042781 -0.029731 0.032570 -0.196338 290 H 20 Z 0.054243 -0.059148 0.083404 0.021289 0.058565 291 H 21 S -0.057352 -0.000799 -0.126123 -0.083867 -0.146242 292 H 21 S -0.012886 0.032629 -0.044175 0.005195 -0.109887 293 H 21 X -0.123162 0.101844 -0.007173 -0.031044 0.084740 294 H 21 Y -0.001191 -0.037435 -0.019948 0.010218 -0.089622 295 H 21 Z 0.053141 -0.051455 0.113831 0.045505 0.000666 296 C 22 S 0.001761 -0.036968 -0.015127 0.018468 -0.020327 297 C 22 S 0.002866 -0.070412 -0.011077 0.028061 -0.050888 298 C 22 S 0.067374 0.579533 0.612399 -0.578375 -0.127088 299 C 22 X 0.019285 0.008045 -0.008073 0.000343 0.002431 300 C 22 Y 0.005940 0.052444 0.115007 -0.083050 -0.073145 301 C 22 Z 0.038584 -0.003499 0.036707 -0.008151 -0.023352 302 C 22 X -0.298350 0.005138 -0.541563 0.200096 0.262021 303 C 22 Y -0.112501 -0.052235 0.080484 0.049879 -0.030271 304 C 22 Z -0.412825 0.017914 -0.213158 -0.044373 -0.056914 305 C 22 XX 0.043352 0.041242 0.066033 -0.031477 -0.006806 306 C 22 YY 0.006302 -0.099865 -0.006297 -0.021034 -0.075198 307 C 22 ZZ -0.049654 0.058624 -0.059735 0.052511 0.082005 308 C 22 XY -0.017327 0.167189 -0.042131 -0.151129 -0.050996 309 C 22 XZ -0.116525 0.025102 -0.108727 -0.004232 0.117079 310 C 22 YZ -0.033213 -0.039501 0.020491 0.013625 -0.090029 311 H 23 S -0.096628 -0.133981 -0.142776 0.185270 0.104349 312 H 23 S -0.108298 -0.027831 -0.156969 0.051075 0.015469 313 H 23 X 0.109984 0.012031 0.196526 -0.018571 -0.065613 314 H 23 Y -0.033462 0.072370 -0.097230 -0.109170 -0.021747 315 H 23 Z 0.133140 -0.018382 0.071263 0.040531 0.043699 316 H 24 S 0.215175 -0.091294 0.170827 0.013320 -0.138825 317 H 24 S 0.126423 -0.020981 0.103267 0.011874 0.035794 318 H 24 X 0.057133 -0.042363 0.128589 -0.014280 -0.120666 319 H 24 Y 0.115069 0.096249 0.063840 -0.045508 0.099948 320 H 24 Z 0.119351 0.000464 0.045897 0.008616 0.015241 321 H 25 S -0.104613 -0.063224 -0.061810 -0.023323 -0.025832 322 H 25 S -0.031429 -0.009919 0.043140 0.006559 -0.073780 323 H 25 X 0.117847 -0.035157 0.134672 0.007181 -0.014698 324 H 25 Y 0.071574 0.072859 0.086980 -0.019000 -0.012143 325 H 25 Z 0.142690 -0.022127 0.122037 0.043789 -0.001931 326 C 26 S 0.252338 0.017289 -0.078480 -0.048301 0.148554 327 C 26 S 0.481856 0.046446 -0.158399 -0.119602 0.296478 328 C 26 S -1.884716 0.197085 -0.007390 -0.419702 -0.865568 329 C 26 X -0.044644 0.041564 -0.074830 0.082900 -0.062035 330 C 26 Y 0.006843 -0.005751 -0.017610 -0.064764 0.053543 331 C 26 Z -0.000621 0.063533 -0.159933 -0.190593 0.102375 332 C 26 X 0.415487 -0.241330 0.337989 -0.590916 0.079523 333 C 26 Y -0.204315 0.480247 -0.140546 0.339985 -0.083155 334 C 26 Z -0.585727 0.009689 0.369307 -0.280861 -0.355819 335 C 26 XX 0.124451 -0.191988 -0.082700 -0.203237 0.174379 336 C 26 YY -0.107391 0.113875 -0.180761 0.117067 -0.066126 337 C 26 ZZ -0.017060 0.078113 0.263461 0.086169 -0.108253 338 C 26 XY -0.194431 0.129101 0.016282 0.150642 -0.008263 339 C 26 XZ -0.055257 0.090272 0.090039 -0.000106 -0.026800 340 C 26 YZ -0.047029 0.066313 0.060256 0.069479 0.149062 341 H 27 S 0.345079 -0.116153 -0.014733 -0.149722 0.074121 342 H 27 S 0.077560 0.102200 0.180474 -0.070607 -0.012747 343 H 27 X -0.075202 0.072477 -0.135468 0.127133 0.032645 344 H 27 Y 0.023502 0.015375 0.058148 -0.081388 -0.086429 345 H 27 Z -0.082965 -0.044888 0.029516 0.019848 0.052812 346 H 28 S 0.206136 -0.133032 0.103225 -0.147157 0.233543 347 H 28 S 0.111893 -0.169926 0.117100 -0.165585 0.007421 348 H 28 X -0.020433 -0.016709 -0.065662 0.128334 -0.114717 349 H 28 Y 0.038561 0.005276 0.097376 -0.023286 0.019894 350 H 28 Z 0.019721 0.059531 0.008798 -0.000541 0.045725 351 H 29 S -0.080824 0.243767 -0.072235 0.291284 -0.044588 352 H 29 S 0.017330 0.041450 -0.128947 0.141209 -0.020513 353 H 29 X -0.055584 0.092954 -0.062042 0.197679 -0.156177 354 H 29 Y 0.086828 -0.012032 -0.003914 -0.092853 -0.054465 355 H 29 Z 0.039044 0.051367 -0.219230 0.217731 -0.116365 356 C 30 S -0.105394 0.038919 0.112774 0.010977 -0.130066 357 C 30 S -0.192501 0.092790 0.202759 0.021776 -0.257418 358 C 30 S 0.666613 0.316878 -1.123919 -0.266642 0.864474 359 C 30 X 0.015693 0.031851 -0.055905 0.094116 0.045328 360 C 30 Y 0.101305 -0.026063 0.031017 0.059230 0.053918 361 C 30 Z 0.002735 -0.174129 0.014014 -0.017258 -0.005606 362 C 30 X 0.021091 -0.179364 0.224159 -0.685641 -0.160278 363 C 30 Y -1.100703 -0.238224 -0.034189 -0.190754 -0.619540 364 C 30 Z -0.211610 0.296172 0.702047 0.219123 -0.076908 365 C 30 XX -0.330825 0.018412 0.073503 -0.035685 -0.217825 366 C 30 YY 0.260272 0.165694 0.146096 0.030613 0.146079 367 C 30 ZZ 0.070553 -0.184106 -0.219599 0.005071 0.071746 368 C 30 XY -0.185850 -0.032226 0.142199 -0.194153 -0.062982 369 C 30 XZ -0.139595 0.036112 0.022316 0.063246 0.124513 370 C 30 YZ -0.003363 -0.002173 0.002381 -0.024010 -0.128815 371 H 31 S -0.452823 -0.131908 0.013592 -0.103782 -0.386438 372 H 31 S -0.265890 -0.116084 -0.061005 -0.046602 -0.180387 373 H 31 X -0.000680 0.001855 -0.015545 0.238643 0.071957 374 H 31 Y 0.225878 0.037863 0.092679 0.159963 0.080503 375 H 31 Z 0.136011 -0.087576 0.030518 0.042595 -0.127868 376 H 32 S 0.000829 -0.042026 0.206391 -0.174941 0.023676 377 H 32 S 0.267699 -0.139807 0.013912 -0.186885 -0.027333 378 H 32 X -0.006334 0.152960 -0.053683 0.194610 0.032171 379 H 32 Y 0.095202 0.109200 0.095237 0.138367 0.073276 380 H 32 Z -0.102421 0.015357 -0.199045 0.039023 0.021178 381 H 33 S 0.302020 0.055882 -0.046117 0.309368 0.092460 382 H 33 S 0.080160 0.034850 -0.073406 0.141842 0.016528 383 H 33 X 0.040155 0.095724 -0.069806 0.190082 0.088545 384 H 33 Y 0.226963 -0.059916 0.023236 0.135460 0.049831 385 H 33 Z 0.003045 -0.192360 -0.059063 -0.197512 -0.110397 386 H 34 S 0.016547 -0.061631 0.322148 0.063088 0.034910 387 H 34 S 0.092863 -0.067227 0.014538 0.032958 -0.026349 388 H 34 X -0.177510 0.123749 0.025480 -0.041808 0.116239 389 H 34 Y -0.110898 0.034284 0.070683 0.024513 -0.085694 390 H 34 Z -0.003228 -0.020833 0.160423 0.032625 0.127008 391 F 35 S -0.006180 -0.000186 0.000970 -0.014606 0.000645 392 F 35 S -0.014346 0.021449 0.004170 -0.039846 0.003897 393 F 35 S 0.086706 0.296321 -0.022811 -0.009402 0.013303 394 F 35 X 0.058646 0.252332 -0.048289 -0.047185 0.007960 395 F 35 Y -0.059615 0.182548 0.079522 -0.033959 0.004528 396 F 35 Z 0.056814 0.018099 -0.025263 0.019271 -0.040437 397 F 35 X -0.151184 -0.274081 0.153595 0.042578 0.021431 398 F 35 Y 0.081376 -0.289627 -0.193972 0.045822 0.011630 399 F 35 Z -0.095159 -0.070895 -0.001956 -0.046302 0.090094 400 F 35 XX 0.002844 0.009885 -0.003216 -0.004804 0.000090 401 F 35 YY 0.005341 0.003299 0.006635 0.000425 -0.002613 402 F 35 ZZ -0.008185 -0.013184 -0.003419 0.004379 0.002523 403 F 35 XY 0.002797 -0.005259 0.010900 0.010278 -0.009418 404 F 35 XZ 0.000664 -0.017905 0.004993 0.005863 -0.003599 405 F 35 YZ -0.004353 -0.000596 -0.008995 0.004989 -0.000601 406 F 36 S -0.013627 -0.026095 0.017472 0.013615 -0.008986 407 F 36 S -0.033476 -0.059420 0.054354 0.031548 -0.027340 408 F 36 S -0.009186 0.074527 0.146243 -0.024645 -0.073862 409 F 36 X 0.002919 0.075938 0.051050 0.036989 -0.089945 410 F 36 Y 0.028243 -0.028639 0.027575 -0.015661 0.017291 411 F 36 Z 0.009738 0.027495 0.095543 0.006668 -0.048478 412 F 36 X -0.069105 -0.186956 -0.029033 -0.035633 0.148246 413 F 36 Y -0.048420 -0.009376 -0.043692 0.025233 -0.030056 414 F 36 Z 0.020704 0.058363 -0.093400 -0.070395 0.068646 415 F 36 XX 0.000650 -0.009204 -0.007048 -0.002261 0.002763 416 F 36 YY 0.008870 0.020092 -0.007857 -0.006159 0.005883 417 F 36 ZZ -0.009520 -0.010888 0.014905 0.008421 -0.008646 418 F 36 XY -0.000168 -0.013053 -0.010982 0.008166 0.002492 419 F 36 XZ 0.005741 0.002962 0.000593 -0.004195 -0.004840 420 F 36 YZ 0.005955 0.005002 -0.012658 0.000601 0.001874 421 C 37 S 0.033787 -0.102619 0.012291 0.025922 -0.247631 422 C 37 S 0.086826 -0.201363 0.011530 0.066274 -0.520556 423 C 37 S 1.166091 1.440918 0.009132 0.666923 -0.087088 424 C 37 X -0.007814 0.016932 -0.014043 -0.066416 0.152174 425 C 37 Y 0.138900 0.002510 -0.135719 -0.043403 -0.123516 426 C 37 Z 0.028529 -0.035135 0.008912 -0.002804 0.039545 427 C 37 X -0.299939 -0.605255 -0.238711 -0.229053 -0.561619 428 C 37 Y 0.589823 -0.083680 -0.138216 0.130511 0.233949 429 C 37 Z 0.030740 -0.024327 0.293250 0.059307 0.019786 430 C 37 XX -0.194083 0.055377 0.110386 -0.041588 0.192573 431 C 37 YY 0.044861 -0.014930 -0.055079 -0.023363 -0.125681 432 C 37 ZZ 0.149222 -0.040447 -0.055307 0.064951 -0.066892 433 C 37 XY -0.128832 0.028621 0.012291 0.021427 0.095327 434 C 37 XZ 0.039977 0.010025 -0.159519 -0.037031 -0.019907 435 C 37 YZ -0.037929 -0.060310 -0.058358 -0.055670 0.103129 436 S 38 S -0.014137 -0.003505 0.023100 -0.020318 -0.002951 437 S 38 S -0.100407 -0.026824 0.159608 -0.137946 -0.023195 438 S 38 S -0.120559 -0.042065 0.172473 -0.135223 -0.039287 439 S 38 S 0.190087 -0.067053 -0.740148 0.733669 0.538722 440 S 38 X 0.000352 -0.004695 0.010471 -0.002312 -0.003980 441 S 38 Y 0.003365 0.020293 0.035279 -0.027825 -0.025520 442 S 38 Z -0.002283 -0.001892 -0.005136 -0.000230 -0.004095 443 S 38 X -0.001765 -0.040333 0.045272 0.000180 -0.016869 444 S 38 Y 0.001100 0.072479 0.157527 -0.128491 -0.080393 445 S 38 Z -0.010909 -0.011460 -0.024383 -0.000669 -0.021129 446 S 38 X 0.040256 -0.058342 -0.086612 0.083115 0.188682 447 S 38 Y -0.065777 -0.065610 0.364068 -0.260154 -0.113898 448 S 38 Z 0.020678 0.024513 -0.003971 -0.024556 -0.061802 449 S 38 XX 0.033340 -0.000358 0.116916 -0.003524 -0.072519 450 S 38 YY 0.028948 -0.016527 -0.201127 0.110105 0.038886 451 S 38 ZZ -0.062288 0.016885 0.084211 -0.106582 0.033633 452 S 38 XY 0.042983 0.050984 -0.018041 0.027278 -0.048085 453 S 38 XZ -0.009887 -0.006809 -0.019365 -0.007018 -0.037544 454 S 38 YZ -0.009508 0.011859 0.003556 0.004291 0.029781 455 S 38 XX 0.003838 0.000102 0.012646 0.000387 -0.006819 456 S 38 YY 0.006002 -0.002502 -0.020564 0.011158 0.002127 457 S 38 ZZ -0.009840 0.002400 0.007918 -0.011545 0.004692 458 S 38 XY 0.007842 0.007758 -0.001273 0.000870 -0.004176 459 S 38 XZ -0.002068 -0.002582 -0.003395 -0.001949 -0.007611 460 S 38 YZ -0.001591 0.002626 0.000955 0.000239 0.004090 461 H 39 S 0.104546 -0.053798 -0.019522 0.039278 0.028259 462 H 39 S 0.014748 0.120987 0.140705 -0.016773 0.225369 463 H 39 X 0.084499 -0.001317 -0.063691 0.023279 -0.005648 464 H 39 Y -0.045102 -0.063843 0.015145 0.030266 0.032054 465 H 39 Z -0.009866 -0.045006 -0.002195 0.019177 0.076703 311 312 313 314 315 1.9597 1.9600 1.9827 1.9875 1.9933 A A A A A 1 C 1 S 0.034814 0.088475 -0.200570 0.028475 -0.018873 2 C 1 S 0.051580 0.169347 -0.460263 0.076864 -0.022012 3 C 1 S -0.571253 0.201277 0.432924 0.423130 0.149303 4 C 1 X -0.041932 0.094095 -0.050770 0.033800 0.041268 5 C 1 Y 0.058507 -0.113947 0.397525 -0.187827 -0.084117 6 C 1 Z 0.009366 0.003669 0.016787 0.022417 0.000917 7 C 1 X 0.359339 -0.587900 0.269465 -0.272297 0.231129 8 C 1 Y -0.203790 0.378008 -0.374648 -0.238565 -0.214592 9 C 1 Z -0.110044 0.021610 -0.101483 0.011697 -0.021750 10 C 1 XX -0.014389 -0.068382 0.066532 -0.039939 -0.029141 11 C 1 YY -0.070017 -0.052572 0.037577 -0.005585 0.049201 12 C 1 ZZ 0.084406 0.120954 -0.104110 0.045525 -0.020060 13 C 1 XY -0.030895 -0.007449 0.197371 -0.120687 -0.074971 14 C 1 XZ -0.017504 -0.108325 0.033885 -0.326185 -0.114615 15 C 1 YZ -0.032623 0.009053 -0.022262 0.060021 0.028549 16 C 2 S 0.063505 0.218533 0.014886 -0.057992 -0.084281 17 C 2 S 0.130483 0.446738 0.042209 -0.127674 -0.168347 18 C 2 S 0.456818 -2.136513 -0.817436 -0.870739 0.822754 19 C 2 X 0.011038 0.052279 0.028387 0.031510 0.027131 20 C 2 Y 0.071960 0.090240 -0.061037 -0.020049 -0.037232 21 C 2 Z -0.001293 -0.043996 -0.008047 -0.103189 -0.026545 22 C 2 X 0.498922 -0.828271 -0.266631 -0.308759 0.228954 23 C 2 Y 0.032541 -1.078481 -0.086941 -0.083080 0.401475 24 C 2 Z 0.002266 -0.160975 -0.044958 -0.052223 -0.045570 25 C 2 XX -0.023847 0.028983 0.028411 0.015626 0.027183 26 C 2 YY -0.052094 -0.110875 0.012232 -0.007897 0.014233 27 C 2 ZZ 0.075941 0.081892 -0.040643 -0.007729 -0.041415 28 C 2 XY 0.021690 -0.065362 -0.217097 0.105483 0.056941 29 C 2 XZ -0.040267 -0.001849 0.030635 -0.126245 -0.070148 30 C 2 YZ -0.018592 0.025938 -0.044224 0.311984 0.077561 31 C 3 S 0.127236 0.094739 0.127659 0.086220 -0.085586 32 C 3 S 0.247936 0.198506 0.210658 0.174009 -0.167618 33 C 3 S -0.631543 -1.926055 -4.227384 -0.956769 0.651144 34 C 3 X 0.005910 -0.055005 0.097694 -0.001367 0.004444 35 C 3 Y 0.011783 0.058491 0.133892 0.058639 -0.057359 36 C 3 Z -0.034318 -0.027295 -0.034749 -0.065866 -0.044272 37 C 3 X -1.267297 3.003021 2.685715 0.688721 -1.388184 38 C 3 Y -0.061767 -1.553657 -2.320300 -1.442128 0.568468 39 C 3 Z 0.117974 0.252994 0.229015 -0.236947 0.095707 40 C 3 XX -0.060395 0.027671 -0.135144 0.069862 0.022835 41 C 3 YY -0.078779 -0.125899 0.089513 0.003181 0.046857 42 C 3 ZZ 0.139175 0.098227 0.045631 -0.073043 -0.069692 43 C 3 XY -0.046713 0.072296 0.209933 0.078998 0.020236 44 C 3 XZ -0.094046 -0.032672 0.037703 0.004143 -0.003096 45 C 3 YZ 0.017564 -0.060249 0.014009 -0.045843 0.023750 46 C 4 S -0.055170 -0.081045 -0.104990 0.005652 0.044920 47 C 4 S -0.062319 -0.189134 -0.252736 -0.002699 0.066526 48 C 4 S 1.342225 0.036917 0.204658 0.268048 -0.605191 49 C 4 X -0.155901 -0.005522 0.038187 0.032178 -0.014623 50 C 4 Y 0.072172 -0.026738 -0.061290 -0.099170 -0.077745 51 C 4 Z 0.180695 -0.124094 0.089230 -0.054912 0.130940 52 C 4 X 0.053792 -0.020422 -0.011296 -0.399228 0.371855 53 C 4 Y -1.109069 1.191638 0.025197 0.767415 -1.029120 54 C 4 Z -0.338378 0.817824 -0.018126 -0.232646 -0.616366 55 C 4 XX -0.003455 -0.006864 0.037333 0.131347 0.071465 56 C 4 YY -0.028708 -0.131189 -0.077829 -0.169455 0.020551 57 C 4 ZZ 0.032163 0.138053 0.040495 0.038108 -0.092016 58 C 4 XY 0.051715 -0.056594 0.042651 0.105535 0.108279 59 C 4 XZ 0.017068 0.033782 -0.066553 -0.055923 -0.049856 60 C 4 YZ -0.074772 0.102818 -0.102259 0.007420 -0.037287 61 S 5 S -0.012497 -0.020721 0.025976 -0.006777 0.008047 62 S 5 S -0.092004 -0.148812 0.180560 -0.043171 0.057612 63 S 5 S -0.121144 -0.185667 0.193686 -0.026319 0.072408 64 S 5 S -0.118670 0.587795 -0.593802 0.496390 -0.414277 65 S 5 X 0.018805 -0.002123 0.018442 -0.024600 0.007050 66 S 5 Y -0.029372 0.016390 -0.001185 0.011659 -0.010648 67 S 5 Z -0.025172 0.003216 -0.005160 0.013204 0.001449 68 S 5 X 0.052440 -0.012595 0.088493 -0.104049 0.021743 69 S 5 Y -0.107993 0.048653 0.023196 0.017159 -0.048294 70 S 5 Z -0.083978 0.011888 -0.014834 0.060350 0.007946 71 S 5 X 0.069741 -0.189018 0.137906 -0.117694 0.156520 72 S 5 Y 0.004233 -0.207571 0.247995 -0.227086 -0.063632 73 S 5 Z 0.187646 -0.017411 0.058818 0.023851 -0.052556 74 S 5 XX -0.016008 0.012283 0.011251 0.027646 -0.007298 75 S 5 YY 0.014192 0.049470 -0.143106 0.022617 -0.007693 76 S 5 ZZ 0.001816 -0.061753 0.131855 -0.050263 0.014992 77 S 5 XY 0.071716 -0.010361 -0.061966 0.056434 0.035098 78 S 5 XZ -0.029212 -0.006434 -0.024075 -0.052413 0.001527 79 S 5 YZ 0.033378 -0.046749 0.014114 -0.041345 -0.021365 80 S 5 XX 0.000010 0.003556 0.005802 0.004667 -0.000443 81 S 5 YY -0.000174 0.007781 -0.025524 0.001129 -0.003148 82 S 5 ZZ 0.000164 -0.011337 0.019722 -0.005796 0.003591 83 S 5 XY 0.006093 -0.003094 -0.004456 0.009795 0.003241 84 S 5 XZ -0.008531 -0.001134 -0.006736 -0.007110 0.000106 85 S 5 YZ 0.009235 -0.009822 0.004157 -0.010779 -0.004932 86 H 6 S 0.066332 -0.062976 0.152604 -0.041949 -0.018790 87 H 6 S 0.062913 -0.305994 -0.148841 -0.058610 0.109876 88 H 6 X -0.012662 -0.031159 -0.141723 0.128655 0.055658 89 H 6 Y 0.009307 0.041544 -0.051679 -0.012482 -0.029829 90 H 6 Z -0.048025 0.137778 0.012697 0.254223 0.042468 91 C 7 S -0.127354 -0.160968 -0.011945 -0.017286 0.004881 92 C 7 S -0.218479 -0.294533 -0.049279 -0.026183 0.004482 93 C 7 S 2.167936 4.520906 -0.699040 0.668021 -0.341329 94 C 7 X -0.025945 -0.066165 0.111657 0.023027 -0.063515 95 C 7 Y -0.023504 -0.049510 0.090368 0.060848 0.017311 96 C 7 Z 0.005732 -0.032011 -0.028012 -0.007975 -0.056615 97 C 7 X -1.440527 -0.508619 0.697299 0.012778 0.134939 98 C 7 Y 0.437349 -1.532799 -0.344500 -0.401462 -0.478162 99 C 7 Z -0.032869 0.282062 -0.142215 0.041215 -0.260066 100 C 7 XX -0.006801 0.116506 -0.001193 -0.096895 -0.069033 101 C 7 YY 0.209680 0.026691 -0.047452 0.148955 -0.022087 102 C 7 ZZ -0.202879 -0.143197 0.048645 -0.052060 0.091121 103 C 7 XY 0.003408 -0.277900 -0.017816 0.102287 0.057409 104 C 7 XZ 0.107817 -0.294218 -0.068670 0.116766 0.068168 105 C 7 YZ 0.021819 0.073616 -0.011176 0.075725 0.121604 106 C 8 S -0.058877 0.026599 -0.002666 -0.030910 0.310705 107 C 8 S -0.086643 0.088586 0.003372 -0.077152 0.634583 108 C 8 S 0.590164 0.125896 0.276979 0.279754 -0.596433 109 C 8 X 0.068971 0.121106 0.011512 -0.075142 0.261848 110 C 8 Y 0.086700 0.168208 -0.099431 -0.194483 0.223034 111 C 8 Z 0.047957 0.009114 -0.008947 -0.047234 0.042959 112 C 8 X -0.242842 -0.124499 0.185999 -0.080320 0.232786 113 C 8 Y 0.902746 0.265009 -0.376655 -0.482484 -0.514964 114 C 8 Z 0.030506 -0.005156 -0.142005 -0.004090 -0.141670 115 C 8 XX 0.122787 0.098413 -0.028640 -0.024324 -0.446784 116 C 8 YY -0.001604 -0.011985 0.021547 -0.047779 0.087338 117 C 8 ZZ -0.121183 -0.086428 0.007094 0.072103 0.359446 118 C 8 XY 0.129555 0.113702 -0.049280 -0.125212 0.120009 119 C 8 XZ 0.003331 -0.013588 -0.075882 -0.097745 -0.046545 120 C 8 YZ 0.085958 0.102484 0.165561 0.130184 0.033416 121 C 9 S -0.098092 0.111815 -0.012804 -0.022673 0.076831 122 C 9 S -0.180734 0.172420 -0.076542 -0.036349 0.220265 123 C 9 S 1.089692 -1.804886 -1.233518 -0.436994 0.859862 124 C 9 X 0.066958 0.253624 0.076597 -0.061603 0.129811 125 C 9 Y 0.007418 -0.102373 0.044720 -0.048396 0.116634 126 C 9 Z -0.092611 0.037410 0.076841 0.142896 -0.100284 127 C 9 X -0.008288 0.879711 -0.543998 0.051751 0.024088 128 C 9 Y 0.723499 -0.201342 -0.684752 0.241370 0.158832 129 C 9 Z 0.875311 -0.273759 0.478266 -0.593333 1.319470 130 C 9 XX 0.120663 -0.067657 -0.031962 -0.096183 -0.074153 131 C 9 YY -0.035293 0.144893 0.094704 0.067033 0.111234 132 C 9 ZZ -0.085370 -0.077236 -0.062742 0.029150 -0.037081 133 C 9 XY 0.133497 -0.034497 0.037857 0.091867 0.072640 134 C 9 XZ 0.113613 -0.119119 -0.082545 -0.003635 -0.104188 135 C 9 YZ -0.089738 0.016031 -0.195390 0.041977 -0.080179 136 C 10 S 0.012787 -0.045140 0.080827 0.033275 0.095288 137 C 10 S 0.004680 -0.048550 0.182598 0.016027 0.189024 138 C 10 S -1.422493 1.267885 0.148020 -2.442840 -1.310183 139 C 10 X 0.070721 0.040506 -0.020137 0.148076 0.032604 140 C 10 Y 0.115071 0.082391 -0.037868 0.074015 0.015925 141 C 10 Z -0.044823 -0.061068 -0.023226 0.026460 0.007486 142 C 10 X -0.668962 -4.001367 -0.315452 -0.544591 -0.552695 143 C 10 Y -2.003780 -2.568524 1.331498 1.060599 1.285371 144 C 10 Z 0.567137 0.287608 0.051179 0.101533 0.279785 145 C 10 XX 0.062972 -0.097229 -0.062719 0.121027 0.054253 146 C 10 YY -0.038039 0.239923 0.090733 -0.100266 -0.046303 147 C 10 ZZ -0.024933 -0.142694 -0.028014 -0.020761 -0.007950 148 C 10 XY -0.135175 -0.213001 0.202086 0.028570 0.028961 149 C 10 XZ 0.105474 -0.060921 -0.040351 -0.020872 0.094923 150 C 10 YZ 0.047596 -0.015839 -0.059888 0.057789 0.108594 151 C 11 S 0.077287 0.047452 -0.066574 -0.104210 0.001306 152 C 11 S 0.151668 0.053394 -0.093887 -0.156708 0.006726 153 C 11 S -1.542902 -0.309422 4.597312 3.727101 -0.288081 154 C 11 X 0.008227 -0.075135 0.023492 -0.052877 -0.063804 155 C 11 Y 0.021139 -0.112557 -0.080545 0.050057 -0.017258 156 C 11 Z 0.052389 0.025021 -0.000646 0.004434 0.004764 157 C 11 X -0.158411 4.251260 3.669926 0.446692 -0.200600 158 C 11 Y -0.163695 -2.118666 -0.701490 1.089729 1.660527 159 C 11 Z -0.488990 -0.076069 0.152187 0.083945 -0.123246 160 C 11 XX -0.004670 -0.141191 -0.054161 -0.049348 -0.037488 161 C 11 YY -0.020107 0.012047 -0.046393 0.038532 0.025667 162 C 11 ZZ 0.024776 0.129144 0.100554 0.010816 0.011821 163 C 11 XY 0.048477 -0.003837 -0.169299 -0.031736 0.054204 164 C 11 XZ 0.022839 -0.005811 0.133284 0.203827 0.119659 165 C 11 YZ -0.012269 0.056625 -0.034225 0.030555 0.065467 166 C 12 S -0.069845 0.161608 -0.047362 -0.034749 -0.078164 167 C 12 S -0.141612 0.307656 -0.065734 -0.062491 -0.163228 168 C 12 S 0.273435 -2.897396 0.365729 -0.021584 0.109721 169 C 12 X -0.089685 -0.152671 0.059886 -0.120282 -0.034303 170 C 12 Y 0.026583 -0.099589 -0.012009 -0.011040 0.047031 171 C 12 Z 0.051788 -0.028788 -0.034783 0.002494 0.028719 172 C 12 X 0.745470 -0.802039 -0.504124 0.545968 -0.361505 173 C 12 Y 0.423823 1.091751 -0.570801 0.158215 -0.532465 174 C 12 Z -0.178341 0.277643 -0.122973 -0.087631 -0.211102 175 C 12 XX 0.008470 -0.138063 -0.184263 0.086050 -0.086928 176 C 12 YY -0.131579 0.021550 0.243502 -0.097473 0.066411 177 C 12 ZZ 0.123108 0.116513 -0.059239 0.011423 0.020517 178 C 12 XY -0.078982 -0.059678 -0.071287 -0.175034 0.067166 179 C 12 XZ -0.016227 0.078208 0.008998 -0.041841 0.015869 180 C 12 YZ 0.026502 0.089770 -0.019203 -0.041917 0.066349 181 C 13 S -0.018186 0.047598 -0.069108 -0.112409 0.043428 182 C 13 S -0.026075 0.079111 -0.167271 -0.190207 0.063917 183 C 13 S 0.562497 -0.627691 -0.884652 1.456754 -0.665155 184 C 13 X 0.020618 -0.030671 -0.136983 0.034818 -0.018656 185 C 13 Y 0.086034 0.145237 0.078062 0.127006 -0.112558 186 C 13 Z -0.000100 -0.006309 0.005993 0.024781 -0.035065 187 C 13 X 0.056712 -0.311476 0.212548 0.668215 -0.100981 188 C 13 Y -0.148917 0.637350 -0.210540 -0.698221 0.004355 189 C 13 Z 0.226513 -0.015265 -0.404841 0.310864 -0.028878 190 C 13 XX -0.008239 0.029672 -0.000579 0.073128 -0.065602 191 C 13 YY -0.010363 -0.179376 0.106603 0.003554 0.121134 192 C 13 ZZ 0.018603 0.149704 -0.106024 -0.076682 -0.055532 193 C 13 XY -0.164395 0.016637 -0.138633 -0.309032 -0.090289 194 C 13 XZ 0.043755 -0.035197 -0.081818 0.098674 0.040129 195 C 13 YZ 0.146259 0.052767 0.055142 -0.020831 -0.017002 196 C 14 S 0.086123 -0.194020 -0.073722 0.156325 -0.054850 197 C 14 S 0.144133 -0.330673 -0.127318 0.255316 -0.111643 198 C 14 S -0.662031 3.382621 1.562731 -1.923715 0.631631 199 C 14 X 0.071540 0.091273 0.222971 0.223800 0.043852 200 C 14 Y -0.043072 0.092450 -0.009708 -0.146347 -0.025230 201 C 14 Z -0.006316 -0.031214 -0.001088 0.056536 0.026424 202 C 14 X -0.151865 0.203573 -0.344738 -0.440668 0.230374 203 C 14 Y -0.220138 1.317882 0.863678 -0.754128 -0.182737 204 C 14 Z 0.105935 0.006931 0.161125 0.177314 -0.005956 205 C 14 XX 0.136027 -0.075763 -0.026917 0.129216 -0.000292 206 C 14 YY -0.051727 0.051842 0.100358 -0.166447 -0.037782 207 C 14 ZZ -0.084300 0.023921 -0.073441 0.037232 0.038074 208 C 14 XY -0.068806 0.060347 -0.057853 -0.099178 0.000620 209 C 14 XZ 0.086125 0.031413 -0.061615 0.115241 0.070744 210 C 14 YZ 0.123205 -0.132572 -0.038411 0.072696 0.045800 211 F 15 S 0.007809 -0.002565 -0.009395 0.002082 -0.007027 212 F 15 S 0.013916 -0.007447 -0.021316 0.006045 -0.018846 213 F 15 S -0.021745 0.039026 0.015579 0.029725 0.015933 214 F 15 X 0.106905 -0.075999 -0.034960 0.110030 -0.006822 215 F 15 Y -0.010822 0.029513 -0.004400 0.026080 -0.063063 216 F 15 Z 0.056902 0.047598 -0.033183 0.004761 0.012427 217 F 15 X -0.271994 0.083041 0.074458 -0.220599 0.010029 218 F 15 Y -0.007964 -0.144233 0.034752 -0.048635 0.141170 219 F 15 Z -0.018001 -0.077219 0.025208 -0.000434 0.001163 220 F 15 XX 0.003334 0.006250 -0.005663 -0.001176 0.003444 221 F 15 YY -0.001455 -0.003369 0.008459 -0.001819 0.000441 222 F 15 ZZ -0.001879 -0.002881 -0.002796 0.002995 -0.003884 223 F 15 XY -0.007363 -0.011184 -0.000953 -0.000344 0.000845 224 F 15 XZ -0.014991 -0.011029 -0.002041 -0.004437 -0.002355 225 F 15 YZ -0.004340 -0.016484 -0.003875 -0.001529 0.002491 226 F 16 S -0.001918 0.007564 0.011365 0.006875 -0.013481 227 F 16 S -0.003870 0.018112 0.014382 0.011595 -0.029980 228 F 16 S -0.044549 -0.042726 -0.098084 -0.058435 0.075642 229 F 16 X 0.111266 -0.165928 -0.028903 0.205752 -0.062554 230 F 16 Y 0.066674 0.064078 0.026989 0.076135 -0.123079 231 F 16 Z 0.039988 0.067938 -0.108578 -0.001995 -0.030118 232 F 16 X -0.187919 0.349741 0.002517 -0.391835 0.095432 233 F 16 Y -0.131900 -0.144094 0.097908 -0.097963 0.198214 234 F 16 Z -0.033372 -0.129552 0.098102 -0.002591 0.085682 235 F 16 XX -0.005834 -0.016772 0.000347 0.002509 0.000376 236 F 16 YY 0.001078 0.003204 -0.004599 0.000305 0.000584 237 F 16 ZZ 0.004756 0.013567 0.004251 -0.002814 -0.000960 238 F 16 XY 0.001336 0.013950 -0.009052 -0.008874 -0.005136 239 F 16 XZ -0.003103 -0.010101 0.003426 -0.006957 0.001145 240 F 16 YZ 0.008253 -0.000297 -0.002690 -0.000492 0.001131 241 F 17 S 0.005457 -0.013927 0.001234 0.005562 0.006731 242 F 17 S 0.013425 -0.032942 0.010553 0.022321 0.011186 243 F 17 S 0.006226 0.034060 0.088610 0.076222 -0.107966 244 F 17 X -0.024194 0.049791 -0.146209 -0.146255 -0.007163 245 F 17 Y -0.002757 0.088237 0.166199 0.003369 -0.057735 246 F 17 Z -0.003999 0.013608 0.012946 0.059787 -0.002834 247 F 17 X 0.051671 -0.058218 0.273019 0.325934 0.024617 248 F 17 Y 0.012018 -0.187545 -0.252497 0.060708 0.065264 249 F 17 Z -0.011404 -0.009180 -0.007992 -0.046792 -0.031691 250 F 17 XX 0.007423 -0.005656 -0.004983 0.002228 -0.003486 251 F 17 YY -0.002363 0.002757 -0.001730 0.008593 0.000724 252 F 17 ZZ -0.005059 0.002898 0.006713 -0.010821 0.002762 253 F 17 XY -0.006887 -0.005750 -0.004694 -0.021416 -0.005008 254 F 17 XZ 0.000892 -0.005656 0.002660 -0.003041 -0.003306 255 F 17 YZ 0.008805 -0.001923 0.005598 0.006516 -0.006644 256 F 18 S -0.007983 -0.009747 -0.010715 0.002517 -0.001065 257 F 18 S -0.006594 -0.040030 -0.034827 0.012295 -0.003511 258 F 18 S 0.108669 -0.168681 -0.084772 0.063457 -0.032772 259 F 18 X -0.038918 -0.116489 -0.071372 -0.097341 -0.019980 260 F 18 Y 0.008827 0.042544 0.042938 0.000975 -0.026822 261 F 18 Z -0.104548 0.079344 0.057253 -0.041014 -0.001429 262 F 18 X 0.141545 0.144984 0.170377 0.229180 0.008075 263 F 18 Y 0.025706 -0.153188 -0.135693 0.022706 0.052571 264 F 18 Z 0.033054 0.010898 -0.040051 -0.017353 0.001717 265 F 18 XX -0.002158 0.002482 0.000154 0.005115 -0.002500 266 F 18 YY 0.004342 -0.000479 0.003487 0.004529 0.007807 267 F 18 ZZ -0.002184 -0.002003 -0.003640 -0.009644 -0.005306 268 F 18 XY -0.006505 -0.010816 -0.009329 -0.001226 0.004986 269 F 18 XZ 0.006505 0.003106 0.010901 0.003797 -0.005536 270 F 18 YZ -0.006868 0.005109 -0.001508 -0.013432 0.005546 271 C 19 S 0.055623 0.008381 -0.019980 0.002284 -0.036480 272 C 19 S 0.075884 -0.011476 -0.031981 0.030692 -0.094239 273 C 19 S -0.908412 -0.291460 0.199947 0.327523 0.446343 274 C 19 X 0.077126 0.078526 -0.001362 -0.055178 -0.104745 275 C 19 Y 0.098789 0.061904 -0.002687 -0.083177 0.072218 276 C 19 Z -0.028748 0.021291 -0.000859 0.025076 -0.014429 277 C 19 X 0.341589 0.052810 -0.195607 -0.183978 0.728783 278 C 19 Y 0.492544 0.554270 -0.100655 -0.352688 0.016636 279 C 19 Z 0.186240 -0.014709 -0.107687 -0.344790 0.108632 280 C 19 XX 0.015919 -0.054179 0.055248 0.009995 0.074679 281 C 19 YY -0.062186 -0.103306 -0.033631 0.068627 -0.196722 282 C 19 ZZ 0.046268 0.157486 -0.021617 -0.078622 0.122043 283 C 19 XY -0.085785 -0.112383 0.024878 0.098060 -0.224493 284 C 19 XZ -0.069060 -0.023670 -0.020444 0.051582 -0.069823 285 C 19 YZ 0.113131 -0.060177 0.047382 0.043091 -0.043374 286 H 20 S 0.052417 0.102978 -0.026019 -0.013413 -0.312749 287 H 20 S -0.041332 -0.021758 0.103704 0.055267 -0.310316 288 H 20 X -0.022608 -0.002518 -0.006648 0.026237 -0.246808 289 H 20 Y -0.175603 -0.179081 -0.004630 0.094384 0.054877 290 H 20 Z 0.014362 0.024177 0.092198 0.129814 0.011583 291 H 21 S 0.119095 -0.141925 -0.002368 -0.020834 0.026320 292 H 21 S -0.047613 -0.064224 -0.048553 -0.055249 0.044573 293 H 21 X 0.003389 -0.014034 0.029785 0.052018 -0.396634 294 H 21 Y -0.074379 -0.165984 0.075332 0.149229 -0.049771 295 H 21 Z -0.069187 -0.007060 0.056214 0.129990 0.009322 296 C 22 S 0.016949 -0.019317 0.045224 -0.007923 -0.003129 297 C 22 S 0.039109 -0.037992 0.118518 -0.039522 -0.024584 298 C 22 S -0.140108 0.444635 -0.452951 -0.205650 -0.287072 299 C 22 X -0.003330 0.006977 -0.099997 0.087500 0.045477 300 C 22 Y 0.029331 0.048245 0.005606 -0.049625 -0.060431 301 C 22 Z 0.002547 -0.028074 -0.011464 -0.024149 -0.007898 302 C 22 X -0.162140 -0.099453 0.054882 0.035220 0.056618 303 C 22 Y -0.052885 -0.108315 0.545739 -0.381479 -0.267113 304 C 22 Z 0.025631 0.245718 0.102475 0.280501 0.087428 305 C 22 XX 0.003439 0.023969 -0.072892 0.020515 0.021769 306 C 22 YY 0.034128 -0.105441 0.180162 -0.019854 -0.022889 307 C 22 ZZ -0.037567 0.081472 -0.107270 -0.000660 0.001120 308 C 22 XY -0.046643 0.024589 -0.361196 0.197326 0.092376 309 C 22 XZ -0.040456 0.060895 -0.012541 -0.017076 -0.017193 310 C 22 YZ 0.022290 0.005395 0.053784 0.007576 0.006849 311 H 23 S -0.022095 -0.068510 0.273769 -0.157666 -0.052017 312 H 23 S -0.052157 -0.123137 0.158407 -0.021270 -0.012282 313 H 23 X 0.053072 0.096483 -0.015210 0.001481 -0.042656 314 H 23 Y -0.022490 -0.012601 -0.245601 0.157738 0.091387 315 H 23 Z -0.015850 -0.095946 -0.016353 -0.176894 -0.057468 316 H 24 S 0.070770 -0.132819 0.035431 -0.028767 0.003771 317 H 24 S -0.004181 -0.025178 0.007516 -0.114625 -0.058820 318 H 24 X 0.064474 0.059162 0.004769 0.068263 0.010022 319 H 24 Y -0.002058 0.151731 -0.241730 0.112592 0.035420 320 H 24 Z -0.010166 -0.101861 -0.040680 -0.092566 -0.023231 321 H 25 S 0.021297 0.053889 0.062609 0.109507 0.038382 322 H 25 S 0.058397 0.066950 0.061949 0.049935 0.005350 323 H 25 X 0.052855 0.020431 0.000389 -0.037926 -0.037906 324 H 25 Y 0.017630 0.169761 -0.204391 0.107317 0.037775 325 H 25 Z 0.018300 -0.053225 -0.007395 -0.128893 -0.047211 326 C 26 S 0.057871 -0.038323 -0.002244 -0.029171 -0.059835 327 C 26 S 0.126198 -0.051329 0.027919 -0.062732 -0.110388 328 C 26 S 0.163935 0.450165 0.473376 -0.137468 0.908382 329 C 26 X 0.079126 0.040259 -0.010396 -0.022847 0.006073 330 C 26 Y 0.129270 -0.053166 -0.000002 -0.080892 0.033135 331 C 26 Z 0.081277 0.098933 0.107839 -0.045715 0.051503 332 C 26 X -0.451344 -0.498652 0.241178 0.093506 0.038009 333 C 26 Y -0.830241 0.365174 0.318448 0.266712 0.076214 334 C 26 Z 0.328774 0.264914 0.472262 -0.068393 0.116085 335 C 26 XX 0.217573 -0.169131 -0.125002 -0.099318 0.052586 336 C 26 YY -0.122200 0.128024 0.029208 0.023718 0.087831 337 C 26 ZZ -0.095374 0.041107 0.095794 0.075600 -0.140417 338 C 26 XY 0.236569 -0.008868 -0.074442 -0.055930 0.048449 339 C 26 XZ -0.166117 -0.059252 0.032671 0.000812 0.036132 340 C 26 YZ 0.020921 -0.067879 0.090685 -0.002015 0.036238 341 H 27 S -0.335193 -0.030675 0.056601 0.148722 -0.154616 342 H 27 S -0.218981 -0.061996 0.199483 -0.011131 0.055061 343 H 27 X 0.139654 0.170962 -0.007015 -0.066765 0.042453 344 H 27 Y 0.168294 -0.153693 0.001289 -0.093285 0.101572 345 H 27 Z -0.288488 -0.091854 -0.130299 0.041134 0.013954 346 H 28 S 0.375262 -0.239552 -0.035604 -0.132730 -0.050012 347 H 28 S 0.199379 -0.038724 -0.015615 -0.045777 -0.073432 348 H 28 X 0.085753 0.203596 -0.005008 -0.018162 0.074898 349 H 28 Y 0.164509 -0.149415 -0.046821 -0.110650 0.083069 350 H 28 Z -0.059742 -0.093174 -0.142533 -0.062664 0.063246 351 H 29 S -0.023841 0.193998 -0.026389 0.019332 -0.053616 352 H 29 S 0.208537 0.113321 0.013224 -0.007525 -0.068141 353 H 29 X 0.087499 0.147810 0.004556 -0.018685 0.026187 354 H 29 Y 0.218177 -0.058943 0.032577 -0.109303 0.036291 355 H 29 Z 0.072295 -0.001446 -0.096538 0.036062 0.038988 356 C 30 S 0.067600 0.091906 0.079845 -0.138379 0.004089 357 C 30 S 0.120956 0.160548 0.160936 -0.266510 0.019196 358 C 30 S -0.276337 -1.129012 -0.358771 0.699446 0.554573 359 C 30 X 0.084284 -0.004288 -0.051943 0.024711 -0.066286 360 C 30 Y -0.010157 0.003369 -0.004182 0.019163 -0.050428 361 C 30 Z -0.007181 0.137629 -0.035450 0.061747 -0.112486 362 C 30 X -0.641652 0.189240 0.129823 -0.115493 0.165821 363 C 30 Y 0.465453 -0.121697 0.139949 -0.415257 0.188163 364 C 30 Z 0.249674 0.295137 0.180813 -0.204966 -0.262974 365 C 30 XX 0.224284 -0.066821 -0.051783 -0.078653 0.035226 366 C 30 YY -0.020229 -0.084445 -0.030635 0.006325 0.009432 367 C 30 ZZ -0.204055 0.151266 0.082418 0.072328 -0.044659 368 C 30 XY -0.223002 -0.005214 0.083555 0.010966 0.167390 369 C 30 XZ -0.024966 -0.041564 0.102356 0.061490 0.073383 370 C 30 YZ -0.066984 0.071238 -0.055839 0.085130 -0.069423 371 H 31 S 0.145591 0.071225 0.048724 -0.131322 0.002893 372 H 31 S 0.094260 -0.004907 0.011443 -0.152685 0.086470 373 H 31 X 0.100423 -0.020109 -0.003604 0.021966 -0.023102 374 H 31 Y -0.074720 -0.066701 -0.077373 0.001108 -0.013429 375 H 31 Z -0.044502 -0.045489 -0.082041 0.012713 -0.003936 376 H 32 S -0.345545 0.121666 0.141818 -0.030505 0.117932 377 H 32 S -0.173614 0.138032 -0.024606 -0.022626 -0.036877 378 H 32 X 0.135909 -0.053232 -0.108162 0.022439 -0.058952 379 H 32 Y -0.121215 -0.019951 -0.119835 0.078193 -0.026971 380 H 32 Z 0.000486 -0.017629 0.036692 0.034500 0.040345 381 H 33 S 0.177405 0.107946 -0.049800 -0.012054 -0.196322 382 H 33 S 0.097781 -0.058544 -0.050359 0.075891 -0.019562 383 H 33 X 0.158391 -0.034850 -0.016193 0.009658 -0.095180 384 H 33 Y -0.131826 0.071482 -0.111056 0.041038 -0.077747 385 H 33 Z -0.087557 0.046874 -0.008956 -0.040287 0.085353 386 H 34 S -0.073644 -0.077400 0.000726 0.113221 -0.016357 387 H 34 S -0.024760 -0.036046 0.032901 0.121645 0.004415 388 H 34 X 0.019473 0.000856 0.061046 0.050810 -0.352834 389 H 34 Y -0.156216 -0.173947 0.006852 0.065904 -0.026936 390 H 34 Z -0.008532 0.041464 0.057816 0.083805 -0.062767 391 F 35 S 0.005139 -0.014310 -0.004947 -0.003463 -0.006737 392 F 35 S 0.013424 -0.041674 -0.004196 -0.006879 -0.006656 393 F 35 S -0.039980 -0.008393 0.157784 0.009752 0.107686 394 F 35 X 0.034288 -0.111396 0.081441 0.090550 0.059526 395 F 35 Y -0.114802 0.062610 -0.082306 -0.229260 0.060155 396 F 35 Z -0.011687 0.017651 -0.005256 0.031569 -0.009809 397 F 35 X -0.024056 0.124174 -0.105360 -0.148301 0.004908 398 F 35 Y 0.156496 -0.150367 0.120766 0.374277 -0.125067 399 F 35 Z 0.009556 -0.032716 -0.011342 -0.058960 -0.015984 400 F 35 XX -0.003901 -0.001028 0.005947 -0.004353 -0.002480 401 F 35 YY 0.000722 0.000808 0.008877 0.001935 0.006918 402 F 35 ZZ 0.003179 0.000221 -0.014824 0.002418 -0.004438 403 F 35 XY 0.013595 0.002114 0.006447 0.008629 0.010771 404 F 35 XZ -0.000165 0.009466 -0.001351 -0.002513 -0.002718 405 F 35 YZ -0.006677 -0.009871 -0.003660 -0.011834 -0.002604 406 F 36 S 0.002597 0.007946 -0.023515 0.001419 -0.000133 407 F 36 S 0.007589 0.016625 -0.055210 0.005173 0.006874 408 F 36 S 0.016212 -0.021250 0.038645 -0.008625 0.079119 409 F 36 X 0.015353 -0.011117 -0.040121 0.049649 0.023783 410 F 36 Y 0.037545 0.070761 0.006176 -0.047303 0.001851 411 F 36 Z 0.038785 -0.021805 -0.002308 0.054155 0.056233 412 F 36 X -0.016268 0.037354 0.007033 -0.097035 -0.024621 413 F 36 Y 0.004090 -0.092982 0.021855 0.129313 -0.044489 414 F 36 Z -0.059993 -0.020935 0.086626 -0.071762 -0.024540 415 F 36 XX -0.000312 0.004084 -0.006757 0.000175 -0.007140 416 F 36 YY -0.001887 -0.006000 0.021431 -0.001910 0.003711 417 F 36 ZZ 0.002199 0.001915 -0.014674 0.001735 0.003430 418 F 36 XY 0.000154 -0.008255 -0.003271 0.000947 -0.001702 419 F 36 XZ -0.003513 -0.001258 0.007642 -0.006623 -0.002855 420 F 36 YZ -0.014007 -0.009514 -0.002919 -0.003169 0.006838 421 C 37 S -0.190330 0.013713 0.028666 0.057577 0.191580 422 C 37 S -0.394114 0.032642 0.051958 0.097896 0.366872 423 C 37 S 0.714002 0.257612 0.037243 -0.740553 -1.323081 424 C 37 X 0.130811 -0.081431 -0.049853 0.022319 -0.105538 425 C 37 Y 0.118362 -0.041978 -0.132829 -0.043728 0.075212 426 C 37 Z 0.076353 0.025128 0.027695 0.053460 0.024300 427 C 37 X 0.043799 0.031763 -0.102721 0.164782 1.115630 428 C 37 Y 0.467421 0.503977 -0.561106 -0.397229 0.006718 429 C 37 Z -0.093374 0.179011 0.052176 0.179482 -0.026883 430 C 37 XX 0.010757 0.096700 0.048845 0.013027 -0.002391 431 C 37 YY -0.078460 -0.067827 -0.059382 -0.023871 -0.157407 432 C 37 ZZ 0.067703 -0.028873 0.010537 0.010844 0.159798 433 C 37 XY -0.126656 -0.045763 0.053069 0.066389 -0.224181 434 C 37 XZ 0.159189 0.027733 0.183706 0.073934 0.041220 435 C 37 YZ 0.108099 0.041624 0.101466 0.072266 0.010128 436 S 38 S 0.039442 -0.008653 -0.009888 0.016797 -0.054363 437 S 38 S 0.273007 -0.065004 -0.067783 0.118324 -0.381232 438 S 38 S 0.291822 -0.090910 -0.069271 0.134592 -0.427337 439 S 38 S -1.361509 0.244419 0.463285 -0.268393 1.457786 440 S 38 X 0.002291 -0.003282 0.001431 -0.000511 0.014125 441 S 38 Y 0.033258 0.008399 -0.012417 0.003897 -0.021333 442 S 38 Z 0.001704 -0.005419 0.000165 0.000595 -0.001212 443 S 38 X 0.000705 -0.010239 0.007071 -0.000294 0.117825 444 S 38 Y 0.159211 0.026637 -0.054571 0.034582 -0.085029 445 S 38 Z 0.008742 -0.027710 -0.003285 -0.005118 -0.009211 446 S 38 X -0.162095 -0.091316 -0.031333 -0.031079 0.651491 447 S 38 Y 0.422416 -0.178637 -0.170953 0.136229 -0.089873 448 S 38 Z 0.018108 -0.027724 0.011625 -0.040516 0.058360 449 S 38 XX -0.026662 -0.020182 -0.008561 0.015112 0.304118 450 S 38 YY -0.150461 0.022810 0.047611 -0.077440 -0.079359 451 S 38 ZZ 0.177123 -0.002628 -0.039050 0.062329 -0.224759 452 S 38 XY -0.086757 -0.036260 0.042082 -0.018554 0.041389 453 S 38 XZ -0.023351 -0.003095 -0.012069 -0.021872 0.015033 454 S 38 YZ -0.031123 0.037460 -0.003685 0.017612 0.034922 455 S 38 XX -0.006853 -0.001102 -0.000948 -0.001121 0.039869 456 S 38 YY -0.017007 0.005052 0.005147 -0.007295 -0.005639 457 S 38 ZZ 0.023860 -0.003950 -0.004200 0.008415 -0.034230 458 S 38 XY -0.009544 -0.005265 0.005409 -0.004410 0.011203 459 S 38 XZ -0.004874 0.000635 -0.002835 -0.003906 0.000591 460 S 38 YZ -0.005867 0.006159 -0.001216 0.002966 0.007887 461 H 39 S -0.111792 -0.106389 0.017742 0.031518 -0.196765 462 H 39 S -0.007543 0.081742 -0.047915 -0.027150 -0.205792 463 H 39 X -0.003417 -0.066677 -0.015033 0.001097 -0.145796 464 H 39 Y -0.060590 -0.067216 0.115920 0.031001 0.073426 465 H 39 Z -0.126727 -0.129165 -0.288845 -0.178559 -0.110559 316 317 318 319 320 2.0067 2.0083 2.0178 2.0214 2.0393 A A A A A 1 C 1 S 0.067274 -0.154823 0.000230 -0.075664 0.079258 2 C 1 S 0.101848 -0.322885 -0.033385 -0.138804 0.152984 3 C 1 S -0.366233 0.669337 -0.184297 -0.650167 -0.541760 4 C 1 X 0.137237 -0.121347 0.034500 -0.029306 -0.004926 5 C 1 Y 0.026794 0.235986 0.098768 0.021681 -0.012116 6 C 1 Z 0.039021 0.051112 0.000236 0.013995 0.056368 7 C 1 X 0.448343 -0.034730 -0.035430 1.172355 -0.217650 8 C 1 Y -0.516120 0.784832 -0.243065 0.283241 -0.310565 9 C 1 Z -0.069802 0.112648 -0.046680 -0.161973 -0.055926 10 C 1 XX -0.138456 0.089340 0.002346 -0.009986 0.005577 11 C 1 YY -0.006514 0.013144 -0.071989 0.126044 -0.008580 12 C 1 ZZ 0.144970 -0.102483 0.069643 -0.116057 0.003004 13 C 1 XY -0.042117 0.284242 0.060354 0.139587 0.005392 14 C 1 XZ -0.172853 -0.216844 -0.110603 -0.129013 0.083470 15 C 1 YZ 0.011402 0.000907 0.027577 0.100751 -0.089777 16 C 2 S 0.149206 0.004825 0.106476 -0.170262 0.031976 17 C 2 S 0.310307 0.023446 0.221053 -0.318528 0.070435 18 C 2 S -1.307008 -0.317515 -0.791906 2.566971 -0.389692 19 C 2 X 0.134748 -0.167244 0.037018 -0.050350 -0.039487 20 C 2 Y -0.089008 0.072964 0.019842 0.082342 0.045865 21 C 2 Z -0.049123 -0.059668 -0.029620 0.017514 0.021971 22 C 2 X -0.076677 -0.584140 -0.173921 1.423768 -0.102759 23 C 2 Y -1.037530 -0.125874 -0.310380 0.696348 0.052692 24 C 2 Z -0.134938 -0.089907 -0.052644 0.010438 0.137002 25 C 2 XX 0.141438 -0.138776 0.070511 -0.053016 -0.045999 26 C 2 YY -0.245792 0.146068 -0.137006 0.149886 0.059574 27 C 2 ZZ 0.104354 -0.007292 0.066496 -0.096870 -0.013575 28 C 2 XY -0.063434 -0.168540 -0.077050 0.089510 -0.034431 29 C 2 XZ -0.176353 -0.115381 -0.056076 -0.131800 -0.044314 30 C 2 YZ 0.060662 0.145517 0.177445 0.111337 -0.246046 31 C 3 S 0.076598 -0.001148 0.056349 0.252315 0.188935 32 C 3 S 0.158826 -0.060775 0.099235 0.499358 0.359210 33 C 3 S -2.625859 -3.464505 -1.991477 -2.298158 -2.674979 34 C 3 X 0.032918 -0.044395 0.069753 0.142192 0.140284 35 C 3 Y -0.080863 0.007831 0.037776 0.121595 0.109074 36 C 3 Z -0.056518 0.017750 -0.045719 -0.014911 0.081109 37 C 3 X 3.112054 3.212007 1.117779 -2.634576 2.051345 38 C 3 Y -2.414925 -0.559579 -1.171144 0.175030 -0.979505 39 C 3 Z 0.107810 0.258333 -0.004844 -0.279730 -0.297739 40 C 3 XX -0.048282 -0.070346 0.050288 0.124627 0.013559 41 C 3 YY 0.058758 -0.062879 -0.042247 -0.072711 -0.065505 42 C 3 ZZ -0.010476 0.133225 -0.008041 -0.051916 0.051946 43 C 3 XY 0.209530 -0.009487 0.151272 -0.035422 0.081960 44 C 3 XZ -0.190262 -0.026524 -0.052204 -0.272347 -0.111503 45 C 3 YZ 0.048440 -0.007793 0.112158 0.019044 -0.176623 46 C 4 S -0.149986 0.072902 -0.089199 -0.100699 0.001922 47 C 4 S -0.325268 0.188388 -0.211505 -0.155646 -0.014860 48 C 4 S 0.581050 0.116589 -0.163675 2.089843 -0.511586 49 C 4 X 0.074203 -0.082774 0.161917 -0.183961 0.047024 50 C 4 Y 0.022736 0.036911 0.102987 0.000591 -0.089666 51 C 4 Z -0.017399 -0.076268 0.041386 -0.107906 -0.213118 52 C 4 X -0.524627 -0.086583 -0.781265 0.353373 -0.562246 53 C 4 Y 0.707277 1.609785 -0.519293 -1.091242 0.956288 54 C 4 Z 0.745317 -0.297355 0.125642 -0.065007 1.858856 55 C 4 XX -0.132401 0.044578 0.093761 -0.052461 -0.122799 56 C 4 YY -0.075839 0.038038 -0.183673 -0.102292 -0.174923 57 C 4 ZZ 0.208240 -0.082616 0.089913 0.154753 0.297722 58 C 4 XY 0.019409 -0.018786 -0.079609 0.074562 0.026265 59 C 4 XZ 0.056209 0.075303 0.028616 -0.278211 -0.028491 60 C 4 YZ -0.125387 0.116212 0.033955 -0.031432 -0.129701 61 S 5 S -0.017941 0.044598 -0.012433 0.046363 -0.034525 62 S 5 S -0.125644 0.315851 -0.090059 0.326232 -0.241403 63 S 5 S -0.141392 0.370449 -0.118007 0.378772 -0.269094 64 S 5 S 0.683254 -0.912953 0.422453 -1.634203 1.375632 65 S 5 X -0.021157 0.001182 0.004199 0.025908 -0.034299 66 S 5 Y 0.001689 0.030028 0.000795 -0.019192 0.018250 67 S 5 Z -0.001355 0.014296 -0.001011 -0.004246 -0.005482 68 S 5 X -0.092105 0.036319 0.018360 0.104513 -0.152408 69 S 5 Y 0.013228 0.141908 0.006931 -0.058483 0.076772 70 S 5 Z 0.002844 0.058443 -0.000540 -0.024953 -0.014665 71 S 5 X -0.224256 0.294543 -0.129171 0.499181 -0.516035 72 S 5 Y 0.055582 0.375218 0.065502 0.378200 0.036876 73 S 5 Z 0.075732 0.009424 0.064209 -0.212795 0.106887 74 S 5 XX 0.011454 -0.009367 -0.018865 0.043329 0.085715 75 S 5 YY 0.046123 -0.145222 0.030493 -0.121726 0.013698 76 S 5 ZZ -0.057577 0.154589 -0.011628 0.078397 -0.099413 77 S 5 XY -0.044294 -0.144933 0.010023 -0.009818 -0.096151 78 S 5 XZ -0.022155 -0.037309 -0.003576 0.085421 -0.029819 79 S 5 YZ -0.004949 -0.029434 0.009691 -0.066277 0.018980 80 S 5 XX 0.000024 -0.002523 0.000111 0.010716 0.012214 81 S 5 YY 0.007414 -0.018692 0.003037 -0.016565 -0.000563 82 S 5 ZZ -0.007438 0.021214 -0.003148 0.005850 -0.011651 83 S 5 XY -0.010405 -0.011757 0.001147 0.002146 -0.010991 84 S 5 XZ -0.003200 -0.004896 -0.000843 0.014972 -0.005309 85 S 5 YZ -0.000933 -0.009716 0.001722 -0.011654 0.004786 86 H 6 S -0.021960 0.009193 0.057887 0.005827 0.038622 87 H 6 S -0.193653 -0.178461 -0.092101 0.394388 0.017345 88 H 6 X -0.109463 -0.112295 -0.037987 -0.027396 -0.004260 89 H 6 Y 0.024394 -0.008323 -0.054204 0.042981 0.022459 90 H 6 Z 0.008180 0.109562 0.148248 -0.009176 -0.261158 91 C 7 S -0.030711 -0.148680 0.023214 -0.094320 0.095668 92 C 7 S -0.064876 -0.275140 0.059449 -0.222426 0.166503 93 C 7 S 1.173437 3.653479 -0.241620 -0.984627 -2.623828 94 C 7 X -0.086671 0.034145 -0.002132 -0.227608 -0.050335 95 C 7 Y -0.064256 0.064759 0.006198 0.007114 -0.053597 96 C 7 Z -0.021741 -0.030328 0.080266 0.035519 0.036831 97 C 7 X -0.182890 -0.580220 -0.120788 0.921903 2.555152 98 C 7 Y -0.688589 -0.931553 0.792643 1.507429 2.479173 99 C 7 Z -0.177164 0.345306 -0.070469 0.091582 -0.325834 100 C 7 XX -0.068610 -0.093385 -0.182222 -0.177976 -0.046143 101 C 7 YY -0.022688 0.226706 0.187208 0.180379 0.122268 102 C 7 ZZ 0.091297 -0.133320 -0.004987 -0.002402 -0.076125 103 C 7 XY 0.030692 -0.085161 0.115783 -0.040550 -0.105429 104 C 7 XZ 0.059514 0.213579 -0.140706 -0.110666 -0.135626 105 C 7 YZ 0.167307 0.048842 -0.119105 -0.080721 0.036835 106 C 8 S -0.000921 0.038373 0.060604 -0.014891 0.140187 107 C 8 S -0.030693 0.079702 0.119780 -0.069961 0.249179 108 C 8 S -0.387736 -0.838458 0.015620 -0.080553 -0.593603 109 C 8 X -0.111388 0.063234 0.061245 -0.125668 -0.052731 110 C 8 Y -0.195889 0.156037 0.043571 -0.119240 -0.144484 111 C 8 Z 0.037614 0.008735 0.053554 -0.068066 -0.041980 112 C 8 X -0.242465 -0.339666 0.185894 -0.114934 1.347203 113 C 8 Y -0.416615 0.683820 0.073629 0.488445 0.875232 114 C 8 Z -0.084914 0.142913 0.063691 0.138430 0.106834 115 C 8 XX 0.049848 0.052944 -0.172334 -0.018207 -0.343194 116 C 8 YY -0.098704 -0.011522 0.121971 -0.065622 0.101981 117 C 8 ZZ 0.048856 -0.041421 0.050363 0.083829 0.241214 118 C 8 XY -0.181762 0.121828 0.048671 -0.076646 -0.037661 119 C 8 XZ 0.030032 0.004848 0.143408 -0.012069 -0.035875 120 C 8 YZ -0.049205 -0.029064 -0.367194 -0.024710 0.002612 121 C 9 S 0.052820 0.224483 -0.062029 -0.118578 0.005246 122 C 9 S 0.129075 0.473377 -0.054893 -0.216107 -0.023833 123 C 9 S -0.162301 -1.420255 1.592100 0.833353 -1.345475 124 C 9 X -0.125612 -0.006507 -0.095383 0.098391 0.052123 125 C 9 Y -0.032072 0.018299 -0.010397 0.015083 0.122486 126 C 9 Z -0.234708 0.016061 -0.071144 0.007314 0.127272 127 C 9 X 0.577401 1.024705 0.304709 -1.035635 -0.610215 128 C 9 Y 0.354193 0.570501 -0.025236 0.433254 -1.647961 129 C 9 Z 0.091551 -1.498174 0.173118 0.592944 -0.098348 130 C 9 XX -0.121805 0.045184 -0.026922 0.174172 0.093381 131 C 9 YY 0.125241 -0.118739 0.003044 -0.119496 0.054415 132 C 9 ZZ -0.003436 0.073555 0.023877 -0.054676 -0.147796 133 C 9 XY -0.060403 -0.051218 0.037264 0.051113 0.017333 134 C 9 XZ -0.001074 0.036022 0.054490 -0.100475 0.004137 135 C 9 YZ -0.025162 0.133765 -0.049094 0.061427 0.009608 136 C 10 S -0.002347 -0.080945 -0.114209 -0.014208 -0.302352 137 C 10 S -0.025860 -0.145142 -0.242316 0.011491 -0.577501 138 C 10 S -1.400639 1.029320 1.403313 1.777849 6.193783 139 C 10 X 0.047841 0.268719 -0.086098 0.084970 0.158933 140 C 10 Y 0.079744 0.001081 0.064743 -0.034525 -0.047964 141 C 10 Z 0.052615 0.023495 -0.025995 -0.031967 -0.067492 142 C 10 X -1.325816 -2.791806 0.104521 -0.260463 1.080934 143 C 10 Y 0.274723 -2.084807 -0.564597 0.509321 0.476296 144 C 10 Z 0.119194 0.161235 -0.122108 -0.213702 -0.401607 145 C 10 XX 0.043877 0.111858 0.001981 0.061123 0.061470 146 C 10 YY 0.012775 0.026685 -0.139428 -0.000588 0.032797 147 C 10 ZZ -0.056651 -0.138543 0.137446 -0.060535 -0.094267 148 C 10 XY -0.039683 -0.038877 0.002639 -0.039334 0.058120 149 C 10 XZ -0.044943 -0.015890 -0.243510 0.003796 -0.060617 150 C 10 YZ 0.240686 0.162674 0.023184 -0.129929 -0.183154 151 C 11 S -0.172716 -0.084777 0.196844 0.088090 -0.026660 152 C 11 S -0.314327 -0.164621 0.432851 0.141534 -0.058170 153 C 11 S 4.195871 1.763304 -0.142651 -2.584722 1.304424 154 C 11 X -0.014194 0.010486 0.002593 -0.132745 0.119907 155 C 11 Y -0.051131 0.040295 0.110199 0.073918 0.035993 156 C 11 Z -0.012981 0.011732 0.008918 -0.060334 -0.065663 157 C 11 X 3.632927 3.351687 2.118933 1.430748 1.736935 158 C 11 Y -0.464292 -2.936649 -1.039056 0.776831 -1.936051 159 C 11 Z 0.124913 0.167018 -0.012685 -0.043986 0.421106 160 C 11 XX 0.005095 0.166117 -0.136368 -0.010923 0.083971 161 C 11 YY 0.093186 -0.175344 0.088762 -0.136638 -0.078794 162 C 11 ZZ -0.098281 0.009227 0.047607 0.147561 -0.005177 163 C 11 XY 0.001932 -0.176938 -0.173308 -0.020190 -0.212818 164 C 11 XZ -0.034140 -0.092385 0.003232 0.020978 -0.125605 165 C 11 YZ 0.122895 0.071580 0.038891 0.003251 -0.004179 166 C 12 S -0.227310 0.021653 0.078397 -0.025793 0.200896 167 C 12 S -0.464079 -0.007560 0.181159 -0.062733 0.349960 168 C 12 S 0.424368 -2.591773 0.318979 -0.134001 -2.538666 169 C 12 X -0.068157 -0.090997 -0.131400 -0.103739 0.031321 170 C 12 Y 0.163679 0.135205 -0.172594 0.023734 0.049624 171 C 12 Z 0.049333 0.069886 -0.095503 -0.028841 0.027827 172 C 12 X 0.092682 0.083943 0.108263 -0.214140 -0.163972 173 C 12 Y -1.194330 0.875694 0.133257 -0.494638 1.005447 174 C 12 Z -0.255029 0.104570 0.104655 0.212791 0.377988 175 C 12 XX -0.029771 0.261878 -0.060739 -0.144467 0.309405 176 C 12 YY 0.115467 -0.074382 0.089615 0.081236 -0.177465 177 C 12 ZZ -0.085697 -0.187496 -0.028876 0.063231 -0.131940 178 C 12 XY 0.138022 0.086347 -0.079382 -0.080636 -0.096386 179 C 12 XZ -0.049332 0.020909 -0.185203 0.003753 0.100002 180 C 12 YZ 0.197338 -0.034597 -0.026066 0.081512 -0.099073 181 C 13 S -0.041970 -0.224591 0.106269 0.196559 -0.248687 182 C 13 S -0.137057 -0.433435 0.187535 0.382784 -0.435826 183 C 13 S -1.231244 1.749766 -1.641722 -1.645377 2.456276 184 C 13 X -0.129107 -0.055402 -0.054651 0.056337 0.032302 185 C 13 Y -0.207111 0.010615 0.254505 -0.050151 0.068758 186 C 13 Z -0.135564 -0.070499 0.055722 0.059860 0.038058 187 C 13 X -0.459619 0.769868 -0.619823 -0.745158 1.136156 188 C 13 Y 0.824698 0.576674 0.099041 0.571721 0.435100 189 C 13 Z 0.071558 0.815256 -0.651535 -0.542648 0.688040 190 C 13 XX -0.032483 0.076437 -0.003040 -0.079025 0.197931 191 C 13 YY 0.029520 0.083510 -0.079044 0.033479 -0.043332 192 C 13 ZZ 0.002963 -0.159948 0.082084 0.045546 -0.154599 193 C 13 XY 0.119650 0.006485 0.003288 0.001245 0.109416 194 C 13 XZ -0.106118 0.071281 -0.132500 -0.030195 0.123392 195 C 13 YZ 0.026080 -0.001903 -0.064135 0.095735 -0.002044 196 C 14 S -0.050303 -0.007500 -0.187752 -0.153243 -0.052949 197 C 14 S -0.070559 -0.039341 -0.317947 -0.252928 -0.108867 198 C 14 S 2.148182 0.249173 2.695345 3.104065 -0.111456 199 C 14 X -0.098381 0.088440 0.158215 0.044410 0.119859 200 C 14 Y 0.163901 -0.085195 0.049405 0.114898 -0.083111 201 C 14 Z -0.010111 0.054722 -0.048799 -0.032204 0.016661 202 C 14 X 0.153199 0.071517 -0.328669 0.567518 0.143484 203 C 14 Y 0.359402 0.260248 1.434448 0.730219 0.195270 204 C 14 Z -0.468648 -0.394364 0.075335 0.068750 -0.181897 205 C 14 XX -0.095316 0.082965 -0.120524 0.005912 0.094106 206 C 14 YY 0.166869 -0.034693 0.169208 -0.017486 -0.091241 207 C 14 ZZ -0.071553 -0.048272 -0.048685 0.011574 -0.002865 208 C 14 XY -0.017939 -0.042244 -0.079075 0.076328 0.115781 209 C 14 XZ 0.153764 0.105469 0.007932 -0.051409 -0.001717 210 C 14 YZ 0.092005 0.155755 -0.076710 0.047336 0.073214 211 F 15 S -0.021508 -0.022456 0.010795 -0.004190 -0.014576 212 F 15 S -0.049669 -0.035695 0.025264 -0.016695 -0.018486 213 F 15 S 0.077195 0.267488 -0.059103 -0.066539 0.217102 214 F 15 X -0.001903 0.059768 0.069323 0.012453 0.009252 215 F 15 Y -0.170658 0.009982 0.065173 -0.025381 0.074713 216 F 15 Z -0.034163 -0.109836 0.013894 0.069755 -0.094675 217 F 15 X 0.014318 -0.039807 -0.096182 -0.060805 0.074738 218 F 15 Y 0.365100 -0.026927 -0.149833 0.048095 -0.177740 219 F 15 Z 0.039248 -0.010938 0.006843 -0.070281 -0.020840 220 F 15 XX 0.002678 0.003838 -0.009875 0.011206 0.009978 221 F 15 YY -0.000349 -0.004704 -0.001427 -0.003051 -0.013453 222 F 15 ZZ -0.002329 0.000866 0.011302 -0.008155 0.003476 223 F 15 XY 0.010588 0.006328 -0.007283 -0.005874 0.010466 224 F 15 XZ 0.009835 0.009020 0.008786 -0.007088 0.007677 225 F 15 YZ 0.007040 0.009992 -0.011933 -0.011505 0.003639 226 F 16 S -0.015853 0.010655 -0.001483 -0.001196 0.015449 227 F 16 S -0.018441 0.035440 -0.011063 0.003523 0.040934 228 F 16 S 0.275395 0.054836 -0.060768 0.119282 0.016652 229 F 16 X 0.013151 0.018919 0.003110 -0.018150 -0.010622 230 F 16 Y -0.242245 -0.051453 0.059858 -0.076090 -0.040477 231 F 16 Z -0.067507 0.036699 -0.038269 -0.019663 0.052169 232 F 16 X -0.012302 -0.011748 -0.054739 0.052304 0.091317 233 F 16 Y 0.311746 -0.033089 -0.070727 0.122207 -0.002293 234 F 16 Z 0.218518 -0.017383 -0.011366 0.029215 -0.086878 235 F 16 XX 0.003888 0.004940 0.005186 -0.004889 -0.002392 236 F 16 YY -0.000739 0.001534 -0.014861 0.001039 0.015180 237 F 16 ZZ -0.003149 -0.006473 0.009675 0.003851 -0.012788 238 F 16 XY -0.003116 0.003717 -0.012832 0.000907 0.015254 239 F 16 XZ 0.008148 0.001552 -0.001590 -0.001602 -0.009964 240 F 16 YZ -0.002171 -0.004290 -0.005128 -0.007437 -0.011362 241 F 17 S 0.005552 -0.001491 -0.012245 -0.007804 -0.000202 242 F 17 S -0.007342 -0.014342 -0.028983 -0.026815 -0.004768 243 F 17 S -0.257535 -0.080423 0.071811 -0.088269 -0.007355 244 F 17 X 0.043769 0.111590 -0.101509 0.063946 0.087730 245 F 17 Y -0.079303 -0.040056 0.131830 -0.037100 -0.006247 246 F 17 Z -0.112128 -0.083980 -0.044412 -0.031886 -0.024169 247 F 17 X -0.085731 -0.223444 0.191475 -0.137595 -0.159326 248 F 17 Y -0.002282 -0.032973 -0.284083 -0.017135 -0.050613 249 F 17 Z 0.052509 0.109051 0.066028 -0.010907 0.055751 250 F 17 XX 0.002723 0.015932 -0.006352 -0.000212 0.005480 251 F 17 YY -0.008999 0.001626 0.002320 -0.003060 0.009668 252 F 17 ZZ 0.006276 -0.017558 0.004032 0.003272 -0.015148 253 F 17 XY 0.000445 0.004234 -0.006056 0.005255 0.001160 254 F 17 XZ -0.002524 0.009436 0.002594 -0.000462 -0.001068 255 F 17 YZ -0.004803 0.002921 0.000918 -0.006444 0.003002 256 F 18 S -0.015043 -0.007584 -0.015981 -0.001058 -0.022554 257 F 18 S -0.022947 0.001095 -0.050190 -0.013937 -0.049908 258 F 18 S 0.136548 0.222491 -0.123700 -0.171510 0.134392 259 F 18 X -0.018005 0.034411 -0.120210 0.017122 0.022482 260 F 18 Y 0.053493 0.068957 0.054134 -0.052144 0.016418 261 F 18 Z -0.142808 -0.161640 0.042505 0.057338 -0.030450 262 F 18 X 0.028844 0.004063 0.189906 -0.075610 -0.007607 263 F 18 Y -0.010233 -0.086387 -0.181654 0.027335 -0.061231 264 F 18 Z 0.139087 0.106019 -0.003598 -0.008988 0.008577 265 F 18 XX -0.006841 0.003512 0.002348 -0.004925 0.005527 266 F 18 YY 0.002283 -0.000076 0.003305 0.007149 -0.000281 267 F 18 ZZ 0.004558 -0.003436 -0.005653 -0.002224 -0.005246 268 F 18 XY 0.004758 -0.008285 -0.006788 0.001054 -0.009660 269 F 18 XZ -0.012684 -0.005269 0.005341 0.003513 0.007353 270 F 18 YZ 0.010642 -0.014479 0.005263 0.007328 -0.012566 271 C 19 S -0.001346 0.007463 0.002468 0.044759 0.021044 272 C 19 S 0.036042 -0.004544 -0.005550 0.106146 0.041448 273 C 19 S 0.553653 -0.211807 -0.140630 -0.298646 -0.783143 274 C 19 X -0.053613 0.046355 -0.026510 -0.009394 -0.067645 275 C 19 Y -0.134407 0.039566 0.040276 -0.065598 0.057859 276 C 19 Z -0.062872 0.032396 -0.022283 -0.003570 -0.003809 277 C 19 X -0.391762 0.222184 0.275223 0.018653 0.367243 278 C 19 Y -0.434496 0.296384 0.001648 -0.176135 -0.065439 279 C 19 Z -0.038225 -0.033609 0.374684 0.013700 0.090706 280 C 19 XX -0.045675 -0.055996 0.029814 -0.080391 0.068481 281 C 19 YY 0.071324 0.006937 -0.033351 0.147781 -0.005283 282 C 19 ZZ -0.025649 0.049058 0.003537 -0.067389 -0.063198 283 C 19 XY 0.120844 -0.050075 -0.049728 0.118930 0.054643 284 C 19 XZ 0.003805 0.020390 0.023341 0.015464 -0.012033 285 C 19 YZ 0.170241 -0.056751 -0.088151 -0.040982 -0.022909 286 H 20 S 0.051013 0.036849 -0.083854 0.060534 -0.116568 287 H 20 S 0.080687 -0.108123 -0.091281 -0.004279 -0.048227 288 H 20 X 0.086236 -0.003823 -0.071299 0.063075 -0.104587 289 H 20 Y 0.116312 -0.098446 0.027959 0.074335 0.093156 290 H 20 Z 0.049597 -0.025590 -0.229057 -0.017284 -0.008504 291 H 21 S 0.057931 -0.080038 0.090402 0.028439 0.136228 292 H 21 S 0.002972 -0.027253 0.125269 0.086591 0.056575 293 H 21 X 0.117673 -0.046064 -0.053978 0.001511 -0.125108 294 H 21 Y 0.179745 -0.139338 -0.033523 0.017796 0.130637 295 H 21 Z 0.030389 -0.025903 -0.126216 0.013083 0.033308 296 C 22 S 0.024771 0.011847 0.011387 -0.007310 -0.019012 297 C 22 S 0.041377 0.060937 0.035194 -0.014609 -0.033613 298 C 22 S -0.434242 0.396394 -0.056973 -0.042965 0.116605 299 C 22 X -0.003583 -0.114179 -0.041169 -0.042070 0.007769 300 C 22 Y -0.018310 0.069948 0.032798 -0.045278 0.016226 301 C 22 Z -0.023148 -0.012811 0.009811 0.021642 -0.046067 302 C 22 X -0.055740 -0.051275 -0.037939 0.073291 0.043613 303 C 22 Y -0.341596 0.653932 0.106561 0.005903 0.083201 304 C 22 Z 0.152612 0.142085 0.177815 0.243013 -0.128815 305 C 22 XX 0.003099 -0.006627 -0.030920 0.035189 -0.002315 306 C 22 YY -0.096938 0.129011 -0.006516 0.026285 0.021834 307 C 22 ZZ 0.093839 -0.122383 0.037437 -0.061474 -0.019519 308 C 22 XY -0.165820 -0.171487 -0.136507 -0.036148 0.004764 309 C 22 XZ 0.005682 0.008514 -0.098292 -0.092780 0.194147 310 C 22 YZ -0.016507 -0.035500 0.061589 0.091630 -0.098383 311 H 23 S 0.083450 0.124057 0.083606 0.060389 -0.015073 312 H 23 S -0.210440 0.182286 -0.036974 0.027875 0.019070 313 H 23 X 0.057966 -0.040631 0.048804 -0.157608 0.019726 314 H 23 Y -0.075020 -0.148179 -0.104538 0.034267 -0.006263 315 H 23 Z -0.096109 -0.089799 -0.113405 -0.126244 0.125885 316 H 24 S -0.052370 -0.052948 0.001740 -0.049785 -0.084548 317 H 24 S 0.013128 0.016156 -0.046498 -0.100751 0.103139 318 H 24 X 0.069960 -0.059714 0.098118 -0.051382 -0.107904 319 H 24 Y 0.193164 -0.186723 -0.027644 -0.120714 0.075486 320 H 24 Z -0.099757 -0.058455 -0.084281 -0.025666 0.045565 321 H 25 S 0.042424 0.037254 -0.015616 0.001742 0.036114 322 H 25 S 0.094722 0.041921 0.122048 0.047155 -0.115624 323 H 25 X 0.051556 -0.055624 -0.015318 -0.193727 0.102257 324 H 25 Y 0.151416 -0.274916 0.040860 -0.059435 -0.065808 325 H 25 Z -0.008912 -0.078649 -0.010289 -0.089608 0.014448 326 C 26 S 0.034685 -0.024779 0.084018 -0.024346 -0.075672 327 C 26 S 0.070710 -0.078699 0.148185 -0.037303 -0.117126 328 C 26 S 0.010635 -0.492567 -0.603142 0.370462 0.452538 329 C 26 X -0.068477 -0.006220 -0.007083 0.130838 0.031468 330 C 26 Y -0.001821 -0.071227 0.004750 0.088120 0.044083 331 C 26 Z 0.078250 -0.089659 -0.013020 0.002844 0.062970 332 C 26 X 0.202622 -0.300191 -0.054182 -0.200116 -0.009411 333 C 26 Y -0.361795 -0.019464 -0.116617 -0.536606 0.147715 334 C 26 Z -0.207204 -0.414827 -0.356736 0.220957 0.339168 335 C 26 XX 0.143344 0.017328 0.032874 0.089872 -0.064139 336 C 26 YY 0.096922 -0.001538 0.093642 -0.073423 -0.032715 337 C 26 ZZ -0.240266 -0.015791 -0.126516 -0.016449 0.096854 338 C 26 XY -0.028278 -0.113497 0.110887 0.262825 0.104380 339 C 26 XZ 0.006951 -0.124414 0.043990 0.094047 -0.025371 340 C 26 YZ -0.135527 -0.130868 0.015125 -0.028703 0.075231 341 H 27 S -0.013401 0.130816 -0.049008 -0.326388 -0.089861 342 H 27 S -0.049399 -0.240336 0.054799 -0.106053 0.073361 343 H 27 X -0.099498 -0.013540 -0.061614 0.161260 0.011000 344 H 27 Y 0.081974 -0.104029 0.081915 0.098384 -0.000627 345 H 27 Z 0.094795 0.096749 0.179129 -0.089563 -0.078426 346 H 28 S 0.029906 -0.119253 0.082596 0.124930 -0.010618 347 H 28 S 0.108436 -0.039240 -0.012498 0.176014 -0.039914 348 H 28 X -0.051572 0.090636 -0.083760 0.074507 -0.009451 349 H 28 Y 0.000938 -0.049453 -0.004896 0.065513 -0.052766 350 H 28 Z 0.080299 0.089305 0.009603 -0.004534 -0.117469 351 H 29 S -0.143203 -0.017997 0.098460 0.090667 0.015502 352 H 29 S -0.123163 0.103563 -0.050642 -0.043502 -0.021671 353 H 29 X -0.078060 0.019901 -0.051811 0.163751 -0.018011 354 H 29 Y 0.108248 -0.021538 -0.023333 0.026940 -0.108374 355 H 29 Z -0.061087 0.124490 -0.017351 0.014275 -0.052832 356 C 30 S 0.132158 -0.104243 -0.013441 -0.123317 0.017646 357 C 30 S 0.234164 -0.200130 -0.032185 -0.262500 0.003544 358 C 30 S -1.366623 0.499291 -0.019841 0.226036 -1.249960 359 C 30 X 0.032210 -0.026695 0.075971 -0.017042 0.124574 360 C 30 Y -0.002409 -0.025377 -0.015324 0.176579 -0.017835 361 C 30 Z 0.125190 0.017364 0.062473 0.133281 0.250791 362 C 30 X 0.061682 0.239106 -0.074152 -0.074303 -0.341833 363 C 30 Y 0.146857 -0.339635 0.205169 -0.570288 0.281530 364 C 30 Z 0.339966 0.073035 -0.156690 -0.033330 0.494082 365 C 30 XX -0.032328 0.023510 0.118667 -0.227075 -0.110662 366 C 30 YY 0.001459 0.005451 -0.098299 0.181617 -0.109854 367 C 30 ZZ 0.030869 -0.028961 -0.020368 0.045458 0.220516 368 C 30 XY -0.010234 -0.026680 -0.054997 -0.000195 -0.117356 369 C 30 XZ -0.018418 -0.121610 -0.061617 0.080804 0.030280 370 C 30 YZ 0.035154 0.166066 0.039086 -0.086515 0.084980 371 H 31 S 0.141633 -0.054105 0.098239 -0.328982 0.159306 372 H 31 S 0.064593 -0.198146 0.040348 -0.133156 -0.001920 373 H 31 X 0.034498 -0.002057 0.051407 -0.097387 0.046274 374 H 31 Y -0.042127 0.021224 0.017518 0.199571 -0.185522 375 H 31 Z 0.047443 -0.009686 0.118203 0.094580 -0.090917 376 H 32 S 0.072315 -0.071576 -0.144919 0.180650 -0.090401 377 H 32 S 0.108205 0.124110 0.056686 -0.048275 -0.173536 378 H 32 X -0.001975 0.013332 0.092295 -0.159027 0.012993 379 H 32 Y -0.083859 0.084591 0.000557 0.095549 -0.124729 380 H 32 Z -0.000232 -0.176318 0.028882 -0.043898 0.003021 381 H 33 S 0.098376 -0.043019 0.008498 0.086123 0.150292 382 H 33 S 0.038545 -0.138667 0.069161 0.183219 0.077258 383 H 33 X 0.080386 -0.076881 0.060917 -0.058331 0.197158 384 H 33 Y -0.067603 0.152623 0.042869 0.151120 -0.108567 385 H 33 Z -0.043612 -0.031594 -0.083551 -0.087968 -0.176671 386 H 34 S -0.080525 -0.001101 -0.013991 0.078606 0.126625 387 H 34 S 0.077837 -0.014290 -0.118907 0.002594 -0.014280 388 H 34 X 0.090181 -0.062674 -0.133049 0.032334 -0.094963 389 H 34 Y 0.027884 -0.114154 0.089558 0.128063 0.192073 390 H 34 Z -0.034098 0.017833 -0.143993 -0.022583 -0.031384 391 F 35 S -0.003081 0.004756 0.007819 0.007750 -0.005573 392 F 35 S -0.010302 0.010113 0.016487 0.024578 -0.020348 393 F 35 S -0.015362 -0.053882 0.000336 0.049020 -0.042422 394 F 35 X -0.056766 0.085328 -0.068439 -0.016821 0.060612 395 F 35 Y 0.181355 0.062257 -0.089336 0.117521 0.046526 396 F 35 Z 0.014811 0.106552 -0.081835 -0.069214 0.138682 397 F 35 X 0.074210 -0.190224 0.093945 0.126416 -0.233453 398 F 35 Y -0.359532 -0.125488 0.172722 -0.263534 -0.077389 399 F 35 Z -0.059209 -0.205752 0.167855 0.130734 -0.211497 400 F 35 XX -0.000719 -0.003058 0.008004 0.002546 -0.000745 401 F 35 YY 0.006915 0.003509 -0.002583 -0.000788 -0.005159 402 F 35 ZZ -0.006196 -0.000451 -0.005421 -0.001758 0.005903 403 F 35 XY 0.009360 -0.001295 -0.013679 0.015561 -0.010572 404 F 35 XZ 0.010640 -0.000798 0.001088 -0.002636 -0.005017 405 F 35 YZ 0.004165 -0.006661 -0.008843 -0.004391 -0.002406 406 F 36 S -0.008942 -0.019269 -0.007775 0.003511 -0.024531 407 F 36 S -0.015714 -0.036819 -0.027870 0.006567 -0.054769 408 F 36 S 0.113965 0.141397 -0.065217 -0.023787 0.059512 409 F 36 X -0.005812 0.107667 -0.092253 -0.075995 0.091762 410 F 36 Y 0.099975 0.044916 -0.028331 0.048289 -0.017251 411 F 36 Z 0.041709 0.121011 -0.123021 -0.045974 0.067016 412 F 36 X -0.001677 -0.237153 0.156428 0.175492 -0.209846 413 F 36 Y -0.266913 -0.126907 0.077280 -0.095199 0.009229 414 F 36 Z -0.030647 -0.128755 0.156804 0.087239 -0.076314 415 F 36 XX -0.004891 0.003045 0.002022 -0.003105 0.010084 416 F 36 YY 0.004147 -0.003813 0.007008 0.004030 -0.004507 417 F 36 ZZ 0.000744 0.000769 -0.009030 -0.000926 -0.005576 418 F 36 XY 0.007081 -0.000704 -0.010028 -0.004521 -0.004707 419 F 36 XZ 0.010587 0.005331 0.005173 -0.004063 -0.000590 420 F 36 YZ 0.016179 0.008695 -0.000331 -0.005651 -0.001533 421 C 37 S 0.072536 -0.036088 -0.042466 0.039020 0.057291 422 C 37 S 0.142589 -0.063680 -0.100624 0.079652 0.096983 423 C 37 S -0.712721 0.803824 -0.312999 0.375172 0.971925 424 C 37 X 0.012635 -0.048473 0.038542 0.045548 0.009232 425 C 37 Y -0.065745 0.023322 0.137249 0.033546 0.034822 426 C 37 Z 0.001273 0.022840 -0.069735 0.027597 0.003829 427 C 37 X 0.174128 -0.184288 0.179491 0.428236 -0.893279 428 C 37 Y 0.095625 1.090922 -0.053968 0.032849 -0.729098 429 C 37 Z -0.011431 0.285843 -0.303140 -0.264039 -0.272767 430 C 37 XX -0.108156 0.049713 0.030117 -0.195039 -0.060057 431 C 37 YY 0.025419 -0.016442 0.051961 0.042324 -0.042492 432 C 37 ZZ 0.082737 -0.033271 -0.082078 0.152715 0.102549 433 C 37 XY 0.072385 -0.085513 -0.029928 -0.033349 -0.065748 434 C 37 XZ 0.143511 -0.130709 -0.192748 -0.033662 0.011892 435 C 37 YZ -0.033900 -0.077952 -0.293119 0.061879 0.065070 436 S 38 S -0.005649 0.004283 -0.001479 0.026833 -0.020551 437 S 38 S -0.042310 0.023485 -0.012769 0.186106 -0.143319 438 S 38 S -0.061358 -0.003712 -0.024900 0.201376 -0.154651 439 S 38 S 0.184890 -0.214881 -0.209862 -1.159905 0.165912 440 S 38 X 0.000271 0.002592 0.013359 0.004613 0.033129 441 S 38 Y 0.005152 0.027521 0.022736 0.044081 0.039562 442 S 38 Z -0.002849 -0.002803 0.006074 -0.000658 0.004134 443 S 38 X -0.011774 0.013741 0.069306 0.006932 0.155655 444 S 38 Y 0.007158 0.127937 0.103184 0.177368 0.135772 445 S 38 Z -0.017015 -0.013814 0.041422 0.000149 0.016032 446 S 38 X -0.111993 -0.053445 0.194448 -0.214031 0.453539 447 S 38 Y -0.166740 0.031773 0.250416 0.371885 0.277074 448 S 38 Z 0.037211 -0.047111 0.032400 0.006240 0.054085 449 S 38 XX -0.048517 0.063775 0.152060 0.052937 0.302534 450 S 38 YY 0.055896 -0.124139 -0.160794 -0.132298 -0.204067 451 S 38 ZZ -0.007379 0.060365 0.008734 0.079361 -0.098468 452 S 38 XY -0.015748 -0.042667 -0.011843 -0.007730 -0.011610 453 S 38 XZ -0.008409 -0.021572 0.053572 -0.003571 0.020805 454 S 38 YZ 0.020850 0.028561 -0.041075 -0.037513 -0.019726 455 S 38 XX -0.005551 0.007516 0.016883 0.003601 0.033282 456 S 38 YY 0.009580 -0.011005 -0.016943 -0.011156 -0.018639 457 S 38 ZZ -0.004028 0.003489 0.000060 0.007556 -0.014643 458 S 38 XY -0.005039 -0.004241 0.001624 -0.001694 -0.002529 459 S 38 XZ -0.003270 -0.004877 0.011981 -0.000024 0.004481 460 S 38 YZ 0.003864 0.005513 -0.005963 -0.007162 -0.002464 461 H 39 S 0.124062 -0.019974 -0.070021 0.009468 0.118906 462 H 39 S -0.078740 0.089724 -0.014843 -0.275917 0.155979 463 H 39 X 0.078648 -0.067771 -0.043301 0.079543 0.040052 464 H 39 Y -0.016119 -0.138293 0.041968 -0.108162 0.218869 465 H 39 Z -0.128125 0.059791 0.371397 0.093251 0.093639 321 322 323 324 325 2.0460 2.0545 2.0710 2.0766 2.0958 A A A A A 1 C 1 S -0.032069 0.066396 -0.153116 -0.055734 -0.053141 2 C 1 S -0.077041 0.097515 -0.283240 -0.107735 -0.103470 3 C 1 S 0.444747 -1.456611 -0.381124 -0.551370 -0.055925 4 C 1 X 0.108281 0.163018 0.252664 0.087109 0.128482 5 C 1 Y -0.009630 -0.057678 -0.199848 -0.083614 -0.121183 6 C 1 Z 0.006303 -0.119774 -0.001928 0.028871 0.083932 7 C 1 X 0.240264 1.231850 0.628136 0.535521 0.199237 8 C 1 Y -0.124441 0.285514 1.949271 1.105264 1.186872 9 C 1 Z 0.016303 -0.195747 -0.022408 0.014745 0.105575 10 C 1 XX -0.056006 -0.145896 -0.056887 -0.016480 -0.101957 11 C 1 YY 0.051611 0.053832 0.284200 0.084031 0.116951 12 C 1 ZZ 0.004395 0.092063 -0.227313 -0.067551 -0.014993 13 C 1 XY -0.072519 0.008033 0.211251 0.155574 0.099116 14 C 1 XZ 0.044361 0.173669 0.040209 -0.033730 -0.239849 15 C 1 YZ -0.033981 0.105869 0.022859 -0.006950 -0.047390 16 C 2 S 0.074216 0.111313 0.019219 0.039545 0.049132 17 C 2 S 0.145890 0.216828 0.063192 0.096847 0.089463 18 C 2 S -0.771088 -0.502438 0.188844 0.195195 -1.763619 19 C 2 X 0.119645 0.161178 0.049289 -0.034695 0.079967 20 C 2 Y -0.088760 -0.108397 0.126647 0.136073 -0.031198 21 C 2 Z -0.008846 0.012113 0.018623 0.014934 -0.028924 22 C 2 X -0.268193 1.638341 1.780730 1.331597 0.581955 23 C 2 Y -0.892601 -1.806934 -1.558436 -0.775460 -1.840520 24 C 2 Z -0.074550 -0.161690 0.028244 -0.074701 -0.138643 25 C 2 XX 0.153240 0.240261 0.150303 0.011958 0.075599 26 C 2 YY -0.171580 -0.335909 -0.038437 -0.011402 -0.086190 27 C 2 ZZ 0.018341 0.095648 -0.111866 -0.000556 0.010592 28 C 2 XY -0.048487 0.004420 0.048819 0.019696 0.026504 29 C 2 XZ -0.021416 0.246366 -0.049172 -0.122464 -0.280667 30 C 2 YZ -0.167435 0.063966 -0.037017 -0.061830 0.177599 31 C 3 S -0.113429 0.013192 -0.159134 0.044269 0.034632 32 C 3 S -0.203226 0.048360 -0.288714 0.123579 0.092764 33 C 3 S 1.846478 1.627989 5.534668 1.780144 3.107558 34 C 3 X -0.028694 0.050489 0.070658 0.169214 -0.098696 35 C 3 Y -0.121575 -0.186877 -0.009401 0.194920 0.036009 36 C 3 Z 0.003746 -0.013122 -0.015267 0.048269 -0.062669 37 C 3 X 1.118596 -0.945019 -4.610321 -3.087611 0.059419 38 C 3 Y -0.157418 -1.839405 0.346960 -0.518617 -1.652093 39 C 3 Z 0.149040 -0.174935 -0.544899 -0.026192 -0.092126 40 C 3 XX -0.098813 -0.126397 0.098776 0.104312 -0.088873 41 C 3 YY 0.131147 0.108953 -0.116046 -0.148167 0.016604 42 C 3 ZZ -0.032334 0.017444 0.017269 0.043855 0.072269 43 C 3 XY 0.087261 -0.003270 -0.097649 0.027162 -0.145897 44 C 3 XZ 0.056264 -0.039620 -0.057889 0.023727 0.139011 45 C 3 YZ -0.075269 0.064745 -0.125787 0.034501 0.102971 46 C 4 S 0.106614 -0.220328 0.017937 -0.185390 0.291305 47 C 4 S 0.194150 -0.419004 0.038476 -0.346744 0.568648 48 C 4 S -1.633786 1.931903 0.846582 2.264858 -1.765967 49 C 4 X -0.086942 0.000795 0.012401 0.029810 -0.097349 50 C 4 Y 0.104818 0.024981 -0.037541 0.032448 -0.174859 51 C 4 Z 0.046902 0.128605 -0.282947 0.259477 -0.007778 52 C 4 X 1.166245 -0.299767 -0.700414 -0.074246 -0.045843 53 C 4 Y -0.460966 -0.965378 -0.777764 -1.100418 0.563352 54 C 4 Z -0.028332 -0.049007 -0.177182 -0.862810 -0.398957 55 C 4 XX 0.032163 0.190303 0.142044 -0.089529 0.120947 56 C 4 YY 0.024062 -0.263131 0.165009 -0.020731 0.037667 57 C 4 ZZ -0.056224 0.072828 -0.307052 0.110259 -0.158614 58 C 4 XY 0.050902 -0.054412 -0.032278 -0.246170 0.106875 59 C 4 XZ -0.094016 -0.040922 0.087146 -0.130502 0.003618 60 C 4 YZ -0.036836 0.211703 -0.176637 -0.039635 -0.066141 61 S 5 S -0.002477 0.005582 0.020569 0.038151 0.019713 62 S 5 S -0.021620 0.032915 0.137424 0.262920 0.142313 63 S 5 S -0.045287 0.006907 0.125397 0.276066 0.181577 64 S 5 S -0.360756 -0.671877 -1.189919 -1.631014 -0.519212 65 S 5 X 0.015495 0.036145 0.037324 0.054170 -0.008301 66 S 5 Y -0.020594 -0.014515 0.046581 0.012639 0.052970 67 S 5 Z 0.000389 -0.016992 -0.004289 0.000048 0.013877 68 S 5 X 0.057830 0.149025 0.153762 0.232680 -0.024611 69 S 5 Y -0.080860 -0.067060 0.193610 0.046048 0.193668 70 S 5 Z 0.001396 -0.075987 -0.036182 -0.003843 0.067855 71 S 5 X 0.118756 0.182097 0.323961 0.538259 0.141932 72 S 5 Y 0.029957 0.150488 0.617580 0.056847 0.135781 73 S 5 Z -0.111659 -0.000140 -0.042610 -0.136709 0.084967 74 S 5 XX -0.015654 -0.052720 0.029149 -0.065486 0.036337 75 S 5 YY -0.001574 0.010274 -0.093376 -0.061757 -0.080395 76 S 5 ZZ 0.017228 0.042446 0.064227 0.127243 0.044058 77 S 5 XY 0.014367 0.093085 -0.222115 0.040030 -0.114088 78 S 5 XZ 0.012173 0.047503 0.086951 0.054461 -0.078021 79 S 5 YZ -0.030897 -0.000890 -0.016212 -0.014124 0.019559 80 S 5 XX -0.003156 -0.004289 0.006583 -0.005480 0.004615 81 S 5 YY 0.000613 0.002110 -0.006667 -0.007641 -0.010816 82 S 5 ZZ 0.002543 0.002179 0.000084 0.013122 0.006201 83 S 5 XY -0.001325 0.009998 -0.024288 0.009405 -0.006272 84 S 5 XZ 0.000868 0.004217 0.018858 0.007812 -0.011808 85 S 5 YZ -0.006455 0.002679 -0.003689 -0.000548 0.001008 86 H 6 S -0.059716 0.037133 -0.048042 0.073901 -0.045645 87 H 6 S -0.260073 -0.084879 0.041280 0.019997 -0.222279 88 H 6 X -0.098593 -0.204331 -0.261639 -0.122239 -0.163500 89 H 6 Y 0.057520 0.154489 0.251876 0.068573 0.241404 90 H 6 Z -0.106411 0.239021 -0.094567 -0.126576 -0.020063 91 C 7 S -0.050040 0.060078 0.095881 -0.100645 -0.035610 92 C 7 S -0.150873 0.110190 0.195919 -0.192390 -0.055149 93 C 7 S -1.653904 -1.628943 -1.530597 2.093423 -1.522972 94 C 7 X -0.191822 0.032842 0.001798 -0.020872 0.185654 95 C 7 Y 0.180228 0.083903 -0.020537 -0.010885 0.010612 96 C 7 Z 0.047115 0.015744 -0.011278 0.023110 0.020144 97 C 7 X 1.360010 -0.740280 0.378031 -1.751241 2.067001 98 C 7 Y -0.888632 0.619451 1.138802 -1.335279 0.906511 99 C 7 Z -0.541092 0.215414 -0.091337 0.243250 -0.400152 100 C 7 XX -0.059804 0.037436 -0.148755 0.077911 0.035614 101 C 7 YY -0.140640 0.014613 0.156952 -0.179327 0.102427 102 C 7 ZZ 0.200444 -0.052049 -0.008197 0.101417 -0.138042 103 C 7 XY 0.134379 0.168457 -0.046340 -0.008789 -0.160024 104 C 7 XZ -0.063903 0.004526 -0.042779 -0.009848 -0.012793 105 C 7 YZ 0.082583 -0.157975 0.123110 0.033142 -0.137680 106 C 8 S 0.066952 -0.024301 -0.001296 -0.021171 0.058466 107 C 8 S 0.109073 -0.039675 -0.005527 -0.019885 0.121333 108 C 8 S -1.121559 0.534603 0.099447 0.923766 -0.223083 109 C 8 X -0.063298 0.010092 -0.009463 0.055629 0.044925 110 C 8 Y 0.082310 0.109957 -0.003709 -0.069073 -0.175837 111 C 8 Z -0.083718 -0.040906 0.049076 0.073665 -0.012392 112 C 8 X -0.906504 0.373225 0.037249 0.055877 0.221320 113 C 8 Y -0.334924 -0.189400 0.492916 -0.988296 0.341153 114 C 8 Z -0.016954 -0.027817 0.135015 0.002671 -0.049813 115 C 8 XX 0.088786 -0.068620 -0.052510 0.043840 -0.011123 116 C 8 YY -0.153339 0.047523 0.024648 0.046801 0.042374 117 C 8 ZZ 0.064553 0.021097 0.027862 -0.090641 -0.031252 118 C 8 XY -0.091852 0.091133 0.034279 -0.031197 -0.019673 119 C 8 XZ -0.058693 -0.090344 0.092740 0.130398 -0.019154 120 C 8 YZ -0.016919 0.120633 0.025166 -0.222335 -0.121264 121 C 9 S 0.070369 -0.080124 -0.070620 -0.307824 0.059963 122 C 9 S 0.197966 -0.110600 -0.150877 -0.616257 0.078788 123 C 9 S 0.788298 1.043810 0.708661 1.724012 -1.411507 124 C 9 X -0.021020 -0.004616 -0.036729 0.109308 0.081016 125 C 9 Y -0.045015 -0.143779 0.141718 -0.002384 0.102741 126 C 9 Z -0.123858 0.058095 -0.007382 -0.146663 0.168912 127 C 9 X 0.060822 -0.873612 0.365319 -0.633169 0.007862 128 C 9 Y -0.101620 0.385430 0.524385 0.312141 -1.718168 129 C 9 Z 0.551809 0.814456 0.556297 -0.406619 -1.084595 130 C 9 XX 0.023173 0.103218 0.080534 -0.173158 -0.112204 131 C 9 YY -0.015594 -0.053009 -0.048248 -0.034934 0.063126 132 C 9 ZZ -0.007579 -0.050209 -0.032285 0.208092 0.049078 133 C 9 XY -0.106754 0.000829 0.048799 -0.018992 0.118040 134 C 9 XZ -0.212205 0.012695 0.070658 -0.153948 0.013629 135 C 9 YZ 0.070633 -0.086105 0.048972 -0.030969 -0.074776 136 C 10 S -0.113295 -0.009434 -0.038275 0.069345 0.014877 137 C 10 S -0.236208 -0.057258 -0.095849 0.090983 0.057832 138 C 10 S 0.518042 -1.124839 0.017019 -3.115932 0.377545 139 C 10 X -0.025932 0.009239 0.015480 0.120920 -0.150603 140 C 10 Y -0.063309 -0.043516 0.170019 0.145953 0.079533 141 C 10 Z -0.064202 -0.027740 0.031470 -0.039855 -0.040804 142 C 10 X 0.411957 1.116722 1.872994 -1.953768 2.932095 143 C 10 Y 2.047744 0.359085 0.403091 -0.990063 1.757628 144 C 10 Z 0.265515 -0.106377 -0.200045 0.305645 -0.023236 145 C 10 XX 0.156323 0.006041 0.035654 -0.166167 -0.027908 146 C 10 YY -0.025141 -0.178125 -0.118369 0.175924 0.059809 147 C 10 ZZ -0.131182 0.172083 0.082714 -0.009757 -0.031901 148 C 10 XY 0.088321 0.167992 -0.080904 -0.074011 0.099571 149 C 10 XZ 0.084427 -0.083436 0.048888 0.056922 -0.215095 150 C 10 YZ -0.095876 -0.079980 -0.174034 0.117191 0.049647 151 C 11 S -0.156168 0.007018 0.188680 -0.024258 -0.120161 152 C 11 S -0.300727 0.008662 0.362490 -0.081305 -0.265751 153 C 11 S 1.918196 -0.009163 -4.908300 -1.397525 1.114359 154 C 11 X 0.138508 0.280255 0.012744 -0.043018 0.194448 155 C 11 Y 0.015049 0.186053 0.090151 -0.120281 0.123283 156 C 11 Z 0.013371 -0.050426 -0.000079 -0.041825 0.062460 157 C 11 X -0.157611 -0.579863 -3.635398 -1.400777 -1.672697 158 C 11 Y 0.609697 1.105628 2.460329 2.021469 1.104643 159 C 11 Z 0.017106 0.189682 -0.123056 0.026010 -0.124003 160 C 11 XX 0.040598 -0.055189 -0.128981 -0.194591 0.003511 161 C 11 YY 0.086291 0.009509 0.175976 0.149691 -0.002207 162 C 11 ZZ -0.126889 0.045680 -0.046995 0.044900 -0.001304 163 C 11 XY 0.094596 -0.019560 0.090849 0.029017 0.091796 164 C 11 XZ 0.038672 -0.079273 -0.054603 0.028613 0.223111 165 C 11 YZ -0.015689 -0.029636 -0.160793 0.275229 0.068088 166 C 12 S 0.041071 0.008852 0.036947 0.193116 -0.267476 167 C 12 S 0.056135 -0.025905 0.069850 0.362660 -0.513477 168 C 12 S -0.598507 -0.457629 0.840449 -2.537899 2.819540 169 C 12 X -0.074308 0.246081 -0.002105 0.134667 0.065683 170 C 12 Y 0.008780 0.233237 -0.049933 0.048973 0.072808 171 C 12 Z 0.079195 0.110816 0.010922 0.053331 0.042451 172 C 12 X -0.049047 0.736119 0.440094 0.045201 0.087448 173 C 12 Y 0.267711 0.384405 0.139100 1.344909 -1.110595 174 C 12 Z -0.309131 0.105331 -0.007301 0.349453 -0.804186 175 C 12 XX 0.046728 0.226792 0.003043 0.199585 -0.240386 176 C 12 YY -0.035524 -0.181934 -0.077612 -0.349552 0.278010 177 C 12 ZZ -0.011204 -0.044857 0.074569 0.149967 -0.037624 178 C 12 XY -0.085619 -0.201977 -0.075579 -0.112914 -0.009223 179 C 12 XZ 0.124573 -0.122822 0.014099 -0.036761 0.031375 180 C 12 YZ -0.122497 -0.215882 0.015419 -0.044754 -0.042443 181 C 13 S -0.147083 -0.163410 0.086801 -0.229063 0.017939 182 C 13 S -0.285434 -0.257579 0.163025 -0.387528 0.031917 183 C 13 S 0.978571 2.300195 -0.382531 3.459752 -0.449921 184 C 13 X -0.038351 0.112883 0.026886 0.092708 0.018322 185 C 13 Y 0.215921 0.020755 0.108581 0.043254 -0.220312 186 C 13 Z -0.042253 0.073837 -0.007028 0.040366 -0.026495 187 C 13 X 0.490722 0.653670 -0.303254 1.248794 -0.225982 188 C 13 Y -0.798959 0.544508 -0.149199 -0.052414 -0.475988 189 C 13 Z 0.527405 0.568673 0.021686 0.998384 -0.055804 190 C 13 XX 0.045271 -0.034536 -0.094949 0.136755 0.087184 191 C 13 YY 0.151796 0.121703 0.061642 -0.079473 -0.069653 192 C 13 ZZ -0.197067 -0.087167 0.033307 -0.057281 -0.017531 193 C 13 XY -0.096011 0.313426 0.013410 -0.017756 -0.029631 194 C 13 XZ 0.048173 0.112079 0.014641 0.190466 -0.017357 195 C 13 YZ 0.027474 0.220806 0.052538 -0.003151 0.045950 196 C 14 S -0.159709 0.104146 -0.075762 0.277419 0.102542 197 C 14 S -0.362088 0.220362 -0.143560 0.519222 0.194742 198 C 14 S -0.505035 -0.749863 -0.076344 -2.612888 -1.240072 199 C 14 X -0.000623 -0.045216 0.010324 0.199960 -0.169197 200 C 14 Y -0.226725 0.143883 -0.021541 -0.013926 0.076133 201 C 14 Z 0.045035 -0.018276 0.009144 0.070242 -0.033323 202 C 14 X 0.410846 0.730392 0.016922 0.023359 0.477447 203 C 14 Y 0.230103 -0.859956 -0.221672 -1.713926 -0.612997 204 C 14 Z -0.020324 -0.148308 -0.126486 -0.022394 0.412303 205 C 14 XX 0.147421 0.269881 0.034767 0.113788 0.298531 206 C 14 YY -0.018122 -0.075734 0.020915 -0.220578 -0.300131 207 C 14 ZZ -0.129298 -0.194147 -0.055682 0.106791 0.001601 208 C 14 XY -0.031519 0.161374 -0.048933 0.092424 0.144642 209 C 14 XZ 0.022575 -0.011695 -0.044592 0.187738 0.036009 210 C 14 YZ -0.073532 0.088547 0.010136 0.046125 -0.174038 211 F 15 S 0.005597 0.011595 0.018256 0.025212 -0.025460 212 F 15 S 0.025660 0.034685 0.040767 0.052437 -0.052856 213 F 15 S 0.151520 0.044720 -0.076346 -0.059999 0.117471 214 F 15 X 0.059259 0.047444 0.034982 -0.038125 -0.035979 215 F 15 Y 0.011418 0.023661 0.011499 0.042047 -0.093868 216 F 15 Z -0.082679 -0.051254 0.024009 0.075979 -0.099555 217 F 15 X -0.106317 -0.031380 -0.096342 0.045999 0.103345 218 F 15 Y -0.028432 -0.019020 -0.059660 -0.109345 0.221402 219 F 15 Z 0.040940 0.046104 0.008526 -0.049031 0.145228 220 F 15 XX 0.003638 -0.006395 -0.000682 -0.001795 -0.012312 221 F 15 YY -0.004135 -0.002082 -0.001806 -0.006244 0.015163 222 F 15 ZZ 0.000497 0.008477 0.002488 0.008039 -0.002851 223 F 15 XY -0.000157 0.005441 -0.003115 0.001283 0.000692 224 F 15 XZ -0.017323 0.015837 -0.010602 0.002912 0.002808 225 F 15 YZ 0.005722 0.014351 -0.009457 0.007932 0.007277 226 F 16 S 0.011535 -0.009236 -0.006675 0.005564 -0.021467 227 F 16 S 0.017374 -0.027325 -0.016586 0.021237 -0.075538 228 F 16 S -0.137287 0.007542 -0.024998 0.024538 -0.162074 229 F 16 X 0.118705 0.031842 0.051428 0.031047 -0.080981 230 F 16 Y 0.121460 0.040502 0.043683 0.044785 0.061420 231 F 16 Z -0.031980 -0.036073 0.028250 0.137595 -0.155753 232 F 16 X -0.246288 -0.083232 -0.088060 0.020689 0.057540 233 F 16 Y -0.126884 -0.021143 -0.088418 -0.202063 0.158227 234 F 16 Z 0.036825 0.055720 -0.058343 -0.172698 0.216886 235 F 16 XX 0.012160 0.005389 -0.001127 -0.011490 0.000402 236 F 16 YY -0.000248 0.008282 -0.003929 0.016810 -0.001249 237 F 16 ZZ -0.011912 -0.013671 0.005056 -0.005320 0.000847 238 F 16 XY -0.003425 0.006326 0.003963 0.012849 -0.002555 239 F 16 XZ -0.004189 -0.003358 -0.002555 -0.014395 0.004192 240 F 16 YZ 0.003018 0.002044 0.000667 0.003203 0.012741 241 F 17 S 0.002892 -0.002345 -0.003493 0.015217 0.005750 242 F 17 S 0.023128 -0.010504 -0.013369 0.032917 0.040057 243 F 17 S 0.146181 -0.083401 -0.071340 -0.119091 0.199621 244 F 17 X -0.020001 0.053803 -0.100101 -0.059136 0.066911 245 F 17 Y 0.184069 -0.011856 0.004014 -0.111954 0.126775 246 F 17 Z 0.053306 0.013505 -0.012743 0.076528 0.169009 247 F 17 X 0.038959 -0.134566 0.158945 0.192681 -0.079394 248 F 17 Y -0.215494 0.081761 -0.017930 0.243664 0.020136 249 F 17 Z 0.022464 -0.059110 0.009076 -0.127001 -0.128488 250 F 17 XX -0.001461 0.001076 -0.004642 -0.010145 -0.000453 251 F 17 YY 0.002261 -0.008162 -0.001360 0.014019 0.004232 252 F 17 ZZ -0.000801 0.007085 0.006002 -0.003874 -0.003779 253 F 17 XY -0.004976 0.004144 0.002136 -0.027122 -0.003255 254 F 17 XZ -0.000014 -0.005982 -0.002975 -0.017534 -0.016058 255 F 17 YZ 0.003487 0.003590 -0.006598 0.000845 0.006670 256 F 18 S -0.036068 -0.018956 -0.000813 0.016805 -0.003084 257 F 18 S -0.079460 -0.030205 -0.000725 0.046568 -0.017758 258 F 18 S 0.186409 0.206204 -0.000525 0.062954 -0.065204 259 F 18 X 0.013226 0.127037 -0.044603 -0.064956 0.059336 260 F 18 Y 0.120324 -0.031656 0.013579 -0.066992 -0.056017 261 F 18 Z -0.008177 -0.095044 -0.028392 -0.048176 0.107871 262 F 18 X 0.006962 -0.174900 0.092910 0.130783 -0.181025 263 F 18 Y -0.214956 0.165923 -0.014267 0.217019 0.104556 264 F 18 Z -0.062366 0.034403 0.037817 0.037306 -0.121466 265 F 18 XX 0.007993 -0.005171 -0.011869 -0.001470 0.018463 266 F 18 YY 0.001129 -0.005996 0.008754 -0.000488 -0.017510 267 F 18 ZZ -0.009122 0.011167 0.003115 0.001958 -0.000953 268 F 18 XY -0.009231 -0.003181 -0.001084 -0.000750 0.007601 269 F 18 XZ 0.007188 0.007368 0.009004 -0.007952 0.000069 270 F 18 YZ -0.005805 0.002503 0.002567 -0.005091 0.001476 271 C 19 S -0.010615 0.001112 0.021515 -0.016069 -0.008740 272 C 19 S 0.007890 -0.013504 0.030953 -0.027352 -0.012954 273 C 19 S 0.856611 -0.206454 -0.426223 0.368413 -0.121674 274 C 19 X -0.013588 -0.004062 0.030825 -0.039734 -0.009899 275 C 19 Y -0.175689 0.063389 0.036466 0.009818 0.030852 276 C 19 Z 0.003347 0.047576 -0.032080 -0.034955 0.023058 277 C 19 X -0.233352 0.157893 0.246862 -0.257930 -0.057694 278 C 19 Y -0.310964 0.122787 0.170071 -0.125826 -0.052542 279 C 19 Z 0.061239 -0.055440 -0.137665 0.053146 0.200364 280 C 19 XX -0.226778 0.045512 -0.044895 0.132362 0.087140 281 C 19 YY 0.149859 -0.054387 0.009279 -0.110428 0.023638 282 C 19 ZZ 0.076919 0.008875 0.035617 -0.021934 -0.110778 283 C 19 XY 0.027777 -0.045453 0.018946 -0.074828 0.019707 284 C 19 XZ -0.028697 -0.023756 0.030653 0.073078 0.017974 285 C 19 YZ -0.180430 -0.069405 0.178923 0.040766 -0.111620 286 H 20 S 0.111659 -0.050375 0.018711 -0.070607 -0.045812 287 H 20 S -0.102515 -0.011390 -0.076659 0.161246 0.087762 288 H 20 X 0.132468 -0.059216 -0.011839 -0.030783 -0.020312 289 H 20 Y 0.112783 -0.011635 -0.046734 0.029795 -0.014099 290 H 20 Z -0.044040 0.031151 0.078921 -0.094259 -0.122292 291 H 21 S -0.180130 0.000476 0.066853 0.035050 0.012419 292 H 21 S 0.185225 -0.026145 -0.110192 -0.024312 0.083609 293 H 21 X -0.049782 -0.078215 -0.047458 0.158957 0.072724 294 H 21 Y -0.162974 -0.039428 0.080387 0.092361 -0.031004 295 H 21 Z 0.018251 0.034205 0.026185 -0.072600 -0.070647 296 C 22 S 0.022489 0.031625 -0.001833 0.012801 0.013967 297 C 22 S 0.030285 0.055318 -0.009505 0.029883 0.025258 298 C 22 S -0.375102 -0.062364 0.846018 0.481965 0.499531 299 C 22 X -0.007845 -0.059867 -0.132459 -0.075499 -0.062424 300 C 22 Y -0.064349 -0.013076 -0.027412 0.047123 0.023357 301 C 22 Z -0.017881 0.083909 0.016978 -0.006189 -0.050238 302 C 22 X 0.081235 -0.005407 0.239089 -0.034308 0.051570 303 C 22 Y -0.257190 -0.379104 0.090366 0.052361 -0.045405 304 C 22 Z -0.112274 0.113965 -0.068576 -0.016532 -0.000938 305 C 22 XX -0.020443 -0.036023 0.035503 0.052771 -0.008326 306 C 22 YY -0.051197 -0.103984 -0.154216 -0.044976 -0.017818 307 C 22 ZZ 0.071640 0.140008 0.118713 -0.007794 0.026144 308 C 22 XY -0.117136 -0.192212 -0.102449 -0.040881 -0.078463 309 C 22 XZ 0.082372 -0.232092 0.023237 0.053137 0.055326 310 C 22 YZ -0.053948 0.196358 -0.027301 -0.041708 -0.128220 311 H 23 S 0.088825 0.128755 0.178298 0.034808 0.059928 312 H 23 S -0.108329 -0.296337 -0.122398 -0.062483 -0.121441 313 H 23 X -0.021880 -0.060789 -0.154589 -0.048077 -0.063839 314 H 23 Y -0.026675 -0.026942 -0.064809 -0.028083 0.007523 315 H 23 Z 0.063794 -0.074394 0.032767 0.012402 -0.045494 316 H 24 S -0.028058 0.035719 -0.156529 -0.068793 -0.077335 317 H 24 S 0.073477 -0.108531 0.023184 0.042148 0.027863 318 H 24 X -0.031866 0.088490 -0.247517 -0.132885 -0.140380 319 H 24 Y 0.154066 0.069285 0.125710 0.052011 0.214812 320 H 24 Z 0.004138 0.002509 0.068928 0.017681 -0.017106 321 H 25 S 0.018989 -0.140119 -0.165300 -0.010794 -0.022506 322 H 25 S -0.054531 0.165158 -0.043864 -0.046118 -0.038230 323 H 25 X 0.058099 -0.160078 -0.202821 -0.074785 -0.040401 324 H 25 Y 0.084477 0.343199 0.088078 -0.024229 0.029575 325 H 25 Z 0.043901 0.072440 0.019434 -0.016710 -0.057213 326 C 26 S 0.099586 -0.075592 -0.136391 0.188617 0.069722 327 C 26 S 0.189651 -0.139927 -0.260377 0.331229 0.127335 328 C 26 S -0.299935 0.626809 0.928049 -1.604115 -0.904335 329 C 26 X 0.075592 0.003862 -0.027184 -0.032985 0.002942 330 C 26 Y 0.000721 -0.040509 -0.058202 0.033913 0.084604 331 C 26 Z 0.059360 0.022123 -0.018206 -0.109374 -0.074651 332 C 26 X -0.036058 0.018981 -0.014041 0.122206 -0.042431 333 C 26 Y 0.002383 0.328147 -0.289851 -0.176915 0.090547 334 C 26 Z -0.311304 0.385323 0.282927 -0.535784 -0.359159 335 C 26 XX 0.122640 0.021284 -0.155902 0.132036 -0.105224 336 C 26 YY 0.076630 0.057590 -0.062596 0.057578 -0.080467 337 C 26 ZZ -0.199270 -0.078873 0.218497 -0.189614 0.185691 338 C 26 XY 0.091173 -0.079378 -0.055967 -0.080131 0.040922 339 C 26 XZ 0.166906 -0.088793 0.030260 -0.012386 -0.052601 340 C 26 YZ -0.052554 0.057239 -0.306611 0.099373 0.176301 341 H 27 S -0.097631 0.034166 0.023379 0.108588 0.054321 342 H 27 S 0.109434 0.096974 -0.278205 0.146162 0.020396 343 H 27 X 0.141250 0.023514 -0.146937 0.048278 -0.009842 344 H 27 Y 0.026770 -0.083805 0.042267 -0.010326 0.027056 345 H 27 Z 0.111086 -0.086437 -0.089632 0.068531 0.042310 346 H 28 S 0.018274 -0.102612 -0.172993 0.203630 0.127716 347 H 28 S -0.046249 -0.079624 0.244189 0.038693 -0.121978 348 H 28 X 0.107839 0.011285 0.014893 0.041449 -0.010947 349 H 28 Y -0.006559 -0.128868 0.053072 0.022221 0.119554 350 H 28 Z 0.080807 -0.218226 0.302404 -0.127043 0.017345 351 H 29 S 0.116443 -0.064425 -0.026319 0.045270 0.069403 352 H 29 S -0.077844 0.155102 -0.158706 0.039469 0.022542 353 H 29 X 0.094513 -0.033457 0.025348 -0.011640 0.014351 354 H 29 Y -0.020991 -0.048298 0.071786 0.056640 -0.013757 355 H 29 Z -0.045706 0.069534 -0.108472 0.042918 0.105090 356 C 30 S 0.037313 0.070693 0.003859 -0.036250 -0.168592 357 C 30 S 0.081024 0.117443 0.049825 -0.081089 -0.288496 358 C 30 S 0.136083 -0.583573 0.306884 0.338824 1.540873 359 C 30 X -0.049096 -0.017175 0.003701 -0.127873 0.053960 360 C 30 Y -0.031690 0.054767 -0.019337 0.001648 -0.013496 361 C 30 Z -0.080890 0.067816 -0.159341 0.015490 -0.112241 362 C 30 X -0.130364 0.066101 -0.109404 0.508190 -0.236808 363 C 30 Y 0.381813 -0.030799 -0.145414 0.161463 0.009353 364 C 30 Z -0.178208 0.348965 -0.520756 -0.059995 -0.461771 365 C 30 XX 0.024691 0.072391 -0.065112 0.070666 -0.047773 366 C 30 YY -0.016267 0.002782 -0.026888 0.162424 -0.064210 367 C 30 ZZ -0.008424 -0.075173 0.091999 -0.233089 0.111983 368 C 30 XY 0.025525 0.010144 0.079684 0.109706 -0.112934 369 C 30 XZ 0.001095 0.027597 0.043111 -0.003340 -0.123036 370 C 30 YZ -0.125211 -0.092742 0.069841 -0.064196 -0.060297 371 H 31 S 0.032297 -0.059817 0.025791 -0.031900 -0.105842 372 H 31 S 0.214848 0.031734 0.013798 0.041321 -0.001221 373 H 31 X 0.052597 -0.052379 0.069525 -0.194930 0.065040 374 H 31 Y 0.011735 0.037986 0.066315 0.042809 -0.060814 375 H 31 Z -0.027822 -0.052708 0.218285 0.078718 -0.148809 376 H 32 S -0.007124 0.119892 0.010930 0.148646 -0.279211 377 H 32 S -0.135594 -0.035844 0.031846 0.074312 -0.096059 378 H 32 X -0.050337 -0.031143 0.087228 -0.169784 0.023889 379 H 32 Y -0.078684 0.080748 0.065205 -0.056128 -0.094939 380 H 32 Z 0.033837 -0.035213 0.229259 -0.040098 -0.042736 381 H 33 S -0.052132 0.057129 0.012396 -0.236319 -0.023941 382 H 33 S 0.017968 -0.008564 0.157899 -0.066509 -0.096636 383 H 33 X -0.017342 -0.041121 0.022608 -0.179420 0.078603 384 H 33 Y -0.047321 0.068838 -0.046225 -0.056921 -0.004234 385 H 33 Z 0.091484 -0.062296 0.111790 -0.006609 0.139214 386 H 34 S -0.062586 0.065596 0.005904 -0.032758 0.029018 387 H 34 S -0.037930 -0.007225 0.101521 -0.021447 -0.121989 388 H 34 X 0.031397 -0.038121 -0.092875 0.046968 0.047203 389 H 34 Y 0.094736 0.031087 -0.138739 0.001380 0.098448 390 H 34 Z -0.056531 0.043829 -0.008129 -0.039389 0.011289 391 F 35 S -0.010375 -0.004106 -0.007087 -0.027657 -0.002983 392 F 35 S -0.025489 -0.008917 -0.012738 -0.074347 -0.012952 393 F 35 S -0.007681 -0.032240 0.029358 -0.038177 -0.048058 394 F 35 X 0.061807 0.077588 0.003255 0.021265 -0.050641 395 F 35 Y -0.142055 0.113431 -0.048278 -0.032261 0.016077 396 F 35 Z 0.068345 0.032644 -0.047492 0.116563 0.017874 397 F 35 X -0.121265 -0.129327 0.067650 -0.146819 0.043569 398 F 35 Y 0.288668 -0.192162 0.107578 0.050046 -0.067423 399 F 35 Z -0.135158 -0.060564 0.059942 -0.207029 -0.000544 400 F 35 XX -0.004746 -0.001085 -0.001995 -0.009815 -0.004424 401 F 35 YY 0.006149 -0.007701 0.001049 -0.002466 0.000933 402 F 35 ZZ -0.001403 0.008786 0.000946 0.012281 0.003492 403 F 35 XY -0.008405 -0.002879 -0.005291 0.000512 0.019604 404 F 35 XZ -0.000846 -0.004987 -0.000529 -0.000536 0.000697 405 F 35 YZ 0.000748 0.015227 0.003106 -0.002299 0.005272 406 F 36 S -0.005194 -0.028765 0.010291 -0.006733 0.000163 407 F 36 S 0.003780 -0.070215 0.027367 -0.012085 0.004534 408 F 36 S 0.163755 0.037864 0.028702 0.026123 0.047441 409 F 36 X 0.080488 0.031474 0.021963 0.115198 -0.031545 410 F 36 Y -0.093511 0.065418 -0.050154 -0.015885 0.095376 411 F 36 Z 0.149594 0.013358 0.012658 0.088744 0.039835 412 F 36 X -0.165553 -0.087552 -0.010607 -0.224893 0.072326 413 F 36 Y 0.226175 -0.128513 0.131980 0.026200 -0.186806 414 F 36 Z -0.102467 -0.024676 -0.008814 -0.166185 -0.030848 415 F 36 XX -0.001999 0.003305 -0.002004 0.011726 -0.001910 416 F 36 YY 0.000943 0.004023 -0.002562 -0.016174 -0.001251 417 F 36 ZZ 0.001056 -0.007327 0.004566 0.004448 0.003161 418 F 36 XY -0.006183 0.010695 -0.006835 0.003176 0.016937 419 F 36 XZ 0.002345 0.000766 -0.000667 -0.008734 -0.001189 420 F 36 YZ -0.013654 -0.005144 -0.014276 -0.000454 0.009838 421 C 37 S 0.130843 -0.030644 -0.016277 -0.007535 -0.032592 422 C 37 S 0.292911 -0.062829 -0.051621 -0.017376 -0.078277 423 C 37 S -0.068822 -0.291488 -0.282529 -0.865358 1.171207 424 C 37 X -0.088258 0.040379 0.033203 -0.012344 -0.040604 425 C 37 Y -0.057218 0.074282 0.103783 -0.072583 -0.084105 426 C 37 Z -0.002575 0.010363 0.007826 -0.027284 -0.015607 427 C 37 X 0.828641 0.066125 0.270005 0.266836 -0.602739 428 C 37 Y 0.865162 -0.491003 0.306870 -0.851543 -0.321310 429 C 37 Z -0.175794 0.039233 0.062093 -0.234313 -0.071065 430 C 37 XX -0.156428 0.008622 -0.044315 0.050769 0.084943 431 C 37 YY 0.061310 0.040676 0.030280 -0.007818 -0.165221 432 C 37 ZZ 0.095118 -0.049298 0.014034 -0.042951 0.080279 433 C 37 XY 0.010096 -0.032761 -0.109895 0.155294 0.098437 434 C 37 XZ -0.195220 0.009289 0.118626 -0.007078 -0.055290 435 C 37 YZ 0.148802 0.144789 -0.058609 -0.290355 -0.139022 436 S 38 S -0.010463 0.005934 0.017261 -0.001586 -0.005972 437 S 38 S -0.071954 0.044903 0.121806 -0.007979 -0.045294 438 S 38 S -0.078194 0.064522 0.142623 0.005199 -0.066184 439 S 38 S 0.492978 -0.038047 -0.650565 0.420911 -0.117884 440 S 38 X -0.036717 -0.001213 0.007260 -0.012915 0.005595 441 S 38 Y -0.032654 -0.012204 0.014837 -0.031084 0.028007 442 S 38 Z 0.003638 0.003011 -0.001370 0.003547 0.002021 443 S 38 X -0.159151 0.001972 0.037341 -0.050771 0.025794 444 S 38 Y -0.136310 -0.028117 0.069744 -0.123703 0.101300 445 S 38 Z 0.011687 0.014597 -0.009217 0.019824 0.015974 446 S 38 X -0.246260 0.302968 -0.022511 0.193748 -0.102754 447 S 38 Y -0.394278 0.206780 0.261188 -0.079686 0.009147 448 S 38 Z 0.013771 -0.037150 0.004296 -0.052690 0.076778 449 S 38 XX -0.123076 0.045079 0.056096 -0.085274 0.052835 450 S 38 YY 0.165016 -0.057339 -0.102849 0.102200 -0.052994 451 S 38 ZZ -0.041940 0.012260 0.046753 -0.016925 0.000159 452 S 38 XY 0.118524 0.007412 -0.042728 -0.026525 0.003143 453 S 38 XZ -0.000998 -0.005063 0.020453 0.036121 -0.002996 454 S 38 YZ -0.013234 -0.015752 0.020395 0.026659 -0.063098 455 S 38 XX -0.014454 0.004719 0.005518 -0.009293 0.005576 456 S 38 YY 0.019861 -0.010446 -0.011512 0.008611 -0.003930 457 S 38 ZZ -0.005407 0.005727 0.005994 0.000682 -0.001646 458 S 38 XY 0.015054 0.003862 -0.006119 -0.006368 -0.001961 459 S 38 XZ 0.000743 -0.000487 0.005410 0.008695 -0.001313 460 S 38 YZ -0.001631 -0.003437 0.004717 0.005285 -0.012144 461 H 39 S -0.054593 -0.019020 0.024503 -0.027891 -0.003107 462 H 39 S -0.263944 -0.040841 -0.106185 -0.116598 0.096337 463 H 39 X 0.048704 0.000394 -0.031124 0.014066 -0.033086 464 H 39 Y -0.245926 0.058245 0.049182 0.080569 0.042108 465 H 39 Z 0.270767 -0.053080 -0.136767 0.064789 0.090462 326 327 328 329 330 2.0998 2.1036 2.1245 2.1378 2.1451 A A A A A 1 C 1 S 0.114929 0.035159 -0.009705 0.027449 -0.054419 2 C 1 S 0.183198 0.067304 -0.021750 0.061859 -0.104908 3 C 1 S -0.826528 -0.137271 -0.721101 0.112327 0.456777 4 C 1 X 0.056596 -0.039068 0.075333 -0.023129 0.014968 5 C 1 Y 0.050772 0.090436 -0.045212 0.005959 -0.062092 6 C 1 Z 0.032405 0.167661 -0.024815 -0.132475 -0.042787 7 C 1 X 0.584378 0.210078 0.175722 -0.533071 -0.238701 8 C 1 Y -1.222573 -0.875551 0.300266 0.109385 0.138264 9 C 1 Z 0.005506 -0.060610 0.082219 0.183433 0.024366 10 C 1 XX -0.085837 0.002282 -0.031091 0.044918 -0.046394 11 C 1 YY -0.133006 -0.047188 0.065842 -0.041078 0.127245 12 C 1 ZZ 0.218844 0.044906 -0.034750 -0.003841 -0.080851 13 C 1 XY -0.172044 -0.073440 0.046592 0.049515 -0.045636 14 C 1 XZ 0.065966 -0.291755 0.070681 0.186750 0.176725 15 C 1 YZ -0.146230 -0.089971 -0.064242 0.088637 -0.139701 16 C 2 S -0.062507 -0.009730 0.009806 0.002703 -0.016552 17 C 2 S -0.141155 -0.004307 0.024436 0.022662 -0.029040 18 C 2 S -0.319309 1.734439 0.251728 -0.897993 0.033093 19 C 2 X 0.150882 -0.070095 -0.006622 -0.072853 0.040899 20 C 2 Y -0.291035 0.013362 0.006098 0.050878 0.006857 21 C 2 Z -0.029230 0.003892 -0.024689 -0.004229 -0.025452 22 C 2 X -0.026661 -0.157469 1.020965 -0.633781 -0.335347 23 C 2 Y -0.133968 1.151650 -0.035665 -0.054091 0.240147 24 C 2 Z -0.097268 0.112119 0.005856 -0.057642 0.029716 25 C 2 XX 0.210004 -0.067907 -0.001973 -0.004272 -0.011810 26 C 2 YY -0.196702 -0.037608 -0.006042 0.054544 0.109967 27 C 2 ZZ -0.013302 0.105515 0.008016 -0.050272 -0.098156 28 C 2 XY -0.049928 -0.018034 -0.034657 -0.072335 -0.023924 29 C 2 XZ -0.014574 -0.460369 0.074992 0.345795 0.266972 30 C 2 YZ -0.116332 0.011326 -0.016785 0.052831 -0.037028 31 C 3 S 0.203683 -0.020045 0.057038 -0.010258 0.042769 32 C 3 S 0.449898 -0.061538 0.124415 0.005709 0.073554 33 C 3 S -3.652842 -0.491215 0.307809 0.172990 -0.828892 34 C 3 X 0.109330 -0.003070 -0.029027 -0.023637 0.052642 35 C 3 Y 0.048414 -0.075423 0.087432 0.208529 0.051422 36 C 3 Z 0.026211 -0.004284 0.025948 0.046395 -0.063809 37 C 3 X 3.612817 -0.414744 -2.540800 2.224709 0.632436 38 C 3 Y -2.243112 1.923714 -0.508991 -0.708261 0.268223 39 C 3 Z 0.096468 -0.226188 -0.102494 0.309599 0.047307 40 C 3 XX -0.025387 0.056982 0.014372 0.326881 -0.086307 41 C 3 YY 0.315441 -0.000767 -0.059358 -0.151496 0.027150 42 C 3 ZZ -0.290054 -0.056214 0.044986 -0.175385 0.059157 43 C 3 XY 0.159171 0.100140 -0.104561 0.131938 0.086261 44 C 3 XZ 0.067972 -0.067562 0.125851 -0.047715 0.027118 45 C 3 YZ -0.064104 0.097481 -0.129649 -0.078307 -0.239826 46 C 4 S 0.046934 -0.241652 -0.074940 0.244644 -0.111467 47 C 4 S 0.065382 -0.513158 -0.058631 0.415859 -0.239806 48 C 4 S -1.126310 -0.019199 2.957747 -2.591476 0.238772 49 C 4 X 0.046000 0.073827 -0.066528 0.148074 0.015073 50 C 4 Y 0.176578 0.101224 0.229716 -0.074201 -0.231496 51 C 4 Z -0.222830 -0.120202 0.173343 -0.089131 0.031742 52 C 4 X 0.477049 0.458933 -0.766824 -0.083940 -0.114079 53 C 4 Y 0.378391 -0.888254 -0.298792 2.257936 0.477963 54 C 4 Z 0.076212 0.461679 -1.704042 -0.158205 0.070018 55 C 4 XX 0.060688 -0.046697 -0.235982 -0.156585 0.063859 56 C 4 YY 0.031813 0.150551 -0.008948 0.264033 -0.224284 57 C 4 ZZ -0.092500 -0.103854 0.244930 -0.107448 0.160424 58 C 4 XY -0.361661 0.064705 0.133041 -0.094046 -0.010729 59 C 4 XZ -0.170589 -0.001808 0.014838 0.121277 0.091331 60 C 4 YZ -0.042883 -0.149402 -0.103594 -0.150464 -0.197963 61 S 5 S 0.014631 -0.006612 -0.022279 -0.012645 -0.001932 62 S 5 S 0.108943 -0.047198 -0.163088 -0.082808 -0.013623 63 S 5 S 0.144522 -0.057595 -0.211062 -0.068894 -0.014259 64 S 5 S 0.126880 0.108992 0.085232 1.012661 0.104092 65 S 5 X -0.022326 0.000609 0.033003 -0.047746 -0.004906 66 S 5 Y -0.023652 -0.033238 -0.001922 0.032620 0.006246 67 S 5 Z 0.004964 -0.008107 0.011420 0.022176 -0.004629 68 S 5 X -0.051916 -0.006663 0.105854 -0.184360 -0.022927 69 S 5 Y -0.128496 -0.116723 0.019021 0.127940 0.015464 70 S 5 Z 0.007309 -0.030093 0.058646 0.080546 -0.017753 71 S 5 X -0.005365 -0.026235 -0.048972 -0.409902 -0.007606 72 S 5 Y -0.465410 -0.075364 0.107941 -0.039024 0.058775 73 S 5 Z -0.113545 -0.090787 0.042582 0.092348 0.068598 74 S 5 XX -0.070568 0.007103 -0.042924 0.090310 0.022646 75 S 5 YY 0.096974 0.040401 0.007612 -0.044981 -0.012580 76 S 5 ZZ -0.026406 -0.047504 0.035312 -0.045329 -0.010066 77 S 5 XY 0.264251 0.051637 -0.061410 -0.106072 -0.041546 78 S 5 XZ 0.046445 0.052771 -0.077555 -0.059224 -0.022355 79 S 5 YZ -0.063222 -0.093032 0.048314 0.084313 -0.000529 80 S 5 XX -0.011346 0.002184 -0.007560 0.009644 0.005524 81 S 5 YY 0.014325 0.004697 0.001663 -0.006318 -0.002875 82 S 5 ZZ -0.002979 -0.006880 0.005897 -0.003326 -0.002649 83 S 5 XY 0.032037 0.000536 -0.009558 -0.011753 -0.001249 84 S 5 XZ 0.007054 0.009797 -0.013444 -0.005467 -0.005176 85 S 5 YZ -0.010466 -0.017775 0.006083 0.013516 0.000827 86 H 6 S 0.012324 0.058191 0.126487 -0.001534 -0.037295 87 H 6 S -0.023509 0.097039 0.174987 -0.185797 0.028746 88 H 6 X 0.042859 0.056220 -0.082312 0.066919 0.030336 89 H 6 Y -0.062135 -0.173818 -0.000358 -0.107887 0.027041 90 H 6 Z -0.040230 -0.288465 0.022383 0.230431 0.139810 91 C 7 S -0.017662 0.010116 -0.044368 -0.236959 0.031696 92 C 7 S -0.026631 0.010926 -0.095301 -0.464358 0.086317 93 C 7 S 1.128586 -0.587840 -0.678833 3.704285 0.814100 94 C 7 X 0.082160 0.084147 -0.044632 -0.017001 0.138309 95 C 7 Y 0.032695 0.079148 0.056372 0.109136 -0.061702 96 C 7 Z -0.048827 0.006867 -0.000257 0.040062 0.007279 97 C 7 X 0.004166 -1.624984 -1.626734 0.251759 -2.418790 98 C 7 Y 0.004322 0.290717 -0.377872 -2.084809 0.123201 99 C 7 Z 0.283643 0.245022 0.240016 -0.391536 0.424356 100 C 7 XX -0.081506 0.012655 0.012023 0.011216 -0.093621 101 C 7 YY 0.120911 -0.004929 0.066631 -0.020297 0.238077 102 C 7 ZZ -0.039405 -0.007726 -0.078654 0.009081 -0.144456 103 C 7 XY -0.033114 0.164008 -0.088825 0.174105 -0.141023 104 C 7 XZ 0.067108 -0.049262 0.021606 -0.154344 0.027883 105 C 7 YZ 0.004296 -0.178214 0.140622 0.060578 0.209256 106 C 8 S -0.086181 -0.066041 0.034078 0.055928 -0.069897 107 C 8 S -0.164762 -0.128872 0.072930 0.110353 -0.140946 108 C 8 S 0.336543 0.082724 1.294710 -1.518213 0.665545 109 C 8 X 0.015227 -0.001306 0.001162 -0.004964 0.059513 110 C 8 Y 0.069911 0.211064 -0.145190 0.062754 0.054741 111 C 8 Z 0.128996 -0.089150 -0.105428 -0.003116 -0.048347 112 C 8 X -0.076702 -0.541377 0.684885 -0.297173 -1.298725 113 C 8 Y 0.175226 -0.358173 -0.330053 0.471836 -1.132449 114 C 8 Z 0.168229 -0.042359 0.151880 0.128949 -0.143702 115 C 8 XX 0.025846 0.073803 -0.128042 0.071306 0.138220 116 C 8 YY 0.051834 -0.063286 0.017577 -0.036112 -0.081088 117 C 8 ZZ -0.077680 -0.010517 0.110465 -0.035194 -0.057132 118 C 8 XY 0.049822 0.057758 -0.004016 -0.033089 -0.075182 119 C 8 XZ 0.232541 -0.154599 -0.025454 -0.021076 -0.178554 120 C 8 YZ -0.119485 0.154872 0.220605 -0.139198 -0.195433 121 C 9 S -0.027973 -0.250601 -0.357729 0.184052 -0.384920 122 C 9 S -0.068118 -0.476783 -0.677345 0.312778 -0.733349 123 C 9 S -0.043718 3.086271 2.465774 -3.048348 4.416803 124 C 9 X -0.014681 -0.007221 0.075091 -0.031689 0.089421 125 C 9 Y 0.065470 0.137224 -0.154547 0.207666 0.025975 126 C 9 Z 0.128362 -0.119558 -0.331877 -0.125877 0.128705 127 C 9 X -0.073423 -0.377941 -0.604216 1.211047 0.727500 128 C 9 Y -0.723249 0.545920 2.997873 -0.967028 2.028303 129 C 9 Z -1.089961 0.950211 -0.380669 -0.617939 -0.097612 130 C 9 XX 0.020980 0.074145 -0.042493 0.095269 -0.283534 131 C 9 YY -0.195974 -0.087497 -0.208193 0.096522 0.125576 132 C 9 ZZ 0.174994 0.013352 0.250686 -0.191791 0.157958 133 C 9 XY -0.003425 0.058633 0.154578 -0.060197 0.026630 134 C 9 XZ -0.105672 0.031408 0.052341 -0.126668 -0.033214 135 C 9 YZ 0.103663 0.043149 0.370991 -0.006952 -0.087991 136 C 10 S 0.188187 0.028320 0.183977 0.073642 0.119106 137 C 10 S 0.392089 0.025223 0.393817 0.120254 0.220698 138 C 10 S -1.022422 -0.752519 -1.749226 -3.280581 -1.616345 139 C 10 X 0.134038 -0.055498 -0.149417 0.026164 0.103129 140 C 10 Y -0.106140 0.036985 0.016738 -0.025429 0.103766 141 C 10 Z 0.010915 -0.035320 0.057891 -0.029609 0.059301 142 C 10 X -1.058781 0.304414 -0.072834 -2.041565 -0.258608 143 C 10 Y 0.393282 -0.769047 -0.147456 0.763095 -1.889222 144 C 10 Z -0.100767 -0.148388 0.116320 0.566586 0.111894 145 C 10 XX 0.099478 -0.066280 0.015382 0.024681 -0.028622 146 C 10 YY -0.108506 -0.124839 -0.017835 0.083257 -0.083455 147 C 10 ZZ 0.009029 0.191120 0.002452 -0.107938 0.112077 148 C 10 XY 0.107136 0.192263 -0.093225 0.059010 -0.121058 149 C 10 XZ 0.126002 -0.161690 0.069949 -0.077074 -0.012396 150 C 10 YZ 0.026798 0.136862 0.105836 -0.072652 -0.074375 151 C 11 S -0.147204 0.030225 0.036204 -0.183355 0.126924 152 C 11 S -0.275164 0.073890 0.034470 -0.384313 0.294824 153 C 11 S 4.239173 -0.508663 -1.812499 3.358011 0.207182 154 C 11 X 0.063145 0.099262 -0.047487 -0.011896 -0.033440 155 C 11 Y 0.116938 0.139459 0.032269 0.108270 -0.007563 156 C 11 Z 0.027343 -0.007978 0.099060 0.037944 0.021886 157 C 11 X 4.115056 -1.245557 -0.752493 1.208211 -0.035435 158 C 11 Y -0.969299 -0.480429 1.217567 0.880226 -1.327443 159 C 11 Z 0.289098 0.049149 -0.206239 -0.433464 -0.093465 160 C 11 XX 0.057277 -0.091917 -0.023809 -0.103654 -0.010873 161 C 11 YY -0.189598 0.100158 -0.132475 -0.011087 -0.020857 162 C 11 ZZ 0.132321 -0.008241 0.156284 0.114741 0.031730 163 C 11 XY -0.037963 -0.110943 0.142409 -0.065432 -0.011755 164 C 11 XZ 0.068809 0.054109 0.078577 0.101369 0.156753 165 C 11 YZ -0.045562 0.211383 0.001501 -0.004522 -0.163136 166 C 12 S -0.137364 0.127302 -0.063746 -0.118379 -0.111341 167 C 12 S -0.285227 0.242560 -0.118844 -0.250341 -0.235038 168 C 12 S 0.228786 -0.763572 0.908954 -0.673180 0.483729 169 C 12 X 0.027662 0.198647 0.024939 -0.028356 0.099720 170 C 12 Y 0.133742 0.079930 0.013770 0.128455 0.164485 171 C 12 Z 0.027868 0.010095 -0.010725 0.043606 0.046587 172 C 12 X 0.095061 0.334367 -0.499945 0.210077 0.590433 173 C 12 Y -0.474847 0.671543 -0.399460 -0.057662 -0.244166 174 C 12 Z 0.076465 0.392932 -0.176590 -0.118122 0.084022 175 C 12 XX -0.014580 0.081526 -0.335485 -0.026017 -0.006931 176 C 12 YY 0.011388 -0.110380 0.248542 0.022841 -0.013145 177 C 12 ZZ 0.003191 0.028854 0.086943 0.003176 0.020077 178 C 12 XY -0.103498 -0.156875 -0.003402 -0.111864 -0.057086 179 C 12 XZ -0.021227 -0.207130 0.037130 -0.044088 -0.131853 180 C 12 YZ -0.053002 -0.250481 0.024227 -0.073172 0.094074 181 C 13 S 0.013465 -0.033243 0.073884 -0.031807 -0.022533 182 C 13 S 0.032135 -0.009072 0.121940 -0.003595 -0.067174 183 C 13 S -0.530753 1.497589 -0.899574 1.626100 -0.331832 184 C 13 X 0.020915 0.115737 -0.027537 0.165603 -0.072219 185 C 13 Y 0.022588 0.088355 -0.070295 -0.185462 -0.026606 186 C 13 Z 0.039065 0.115802 -0.005974 0.088462 -0.030469 187 C 13 X -0.062171 0.331899 -0.152517 0.349542 0.057048 188 C 13 Y 0.183112 0.561891 -0.368837 -0.061970 0.819427 189 C 13 Z -0.192583 0.025035 -0.378783 0.281102 -0.031392 190 C 13 XX -0.103784 -0.006434 -0.246122 0.100687 -0.200100 191 C 13 YY 0.222800 -0.048776 0.152695 0.056044 0.167026 192 C 13 ZZ -0.119016 0.055209 0.093426 -0.156731 0.033074 193 C 13 XY -0.000570 0.293908 -0.144958 -0.078482 0.149852 194 C 13 XZ 0.089913 0.008297 0.013261 0.045480 0.024193 195 C 13 YZ 0.116346 0.086811 0.031704 0.109080 0.164160 196 C 14 S -0.142128 0.206445 0.009799 0.221628 0.120121 197 C 14 S -0.273413 0.437415 0.013124 0.437784 0.245522 198 C 14 S 2.125194 -1.441260 0.157581 -1.101268 -0.472562 199 C 14 X 0.033789 -0.030889 0.012001 0.085205 -0.007907 200 C 14 Y 0.007428 0.178350 -0.008241 0.112563 0.076599 201 C 14 Z 0.007221 -0.056709 -0.005843 -0.020113 -0.008192 202 C 14 X 0.585891 -0.241912 0.288641 0.621639 -1.035421 203 C 14 Y 0.810588 -0.648824 -0.029270 -1.348463 -0.080299 204 C 14 Z 0.008937 0.194673 0.247463 0.544340 -0.146168 205 C 14 XX 0.082991 0.043057 0.048682 0.228144 -0.190303 206 C 14 YY 0.005453 -0.009531 0.005288 -0.325398 0.185396 207 C 14 ZZ -0.088444 -0.033526 -0.053970 0.097254 0.004907 208 C 14 XY 0.086121 0.039844 0.054983 0.211878 -0.161242 209 C 14 XZ -0.104158 0.097171 -0.052189 -0.049176 0.032877 210 C 14 YZ -0.052335 0.004749 -0.058443 0.056769 0.060403 211 F 15 S -0.020740 0.032325 0.000426 -0.022093 -0.005202 212 F 15 S -0.054028 0.073759 -0.004324 -0.051142 -0.018745 213 F 15 S -0.008438 -0.122810 -0.076367 0.100762 -0.056039 214 F 15 X 0.007708 0.000373 -0.062498 0.036846 0.021059 215 F 15 Y -0.014785 0.081598 -0.024896 -0.020184 -0.057828 216 F 15 Z 0.042984 0.017738 0.021841 0.016235 0.045666 217 F 15 X -0.043199 0.041826 0.097192 -0.102137 -0.059066 218 F 15 Y 0.077489 -0.133017 0.053281 0.071298 0.117332 219 F 15 Z -0.053115 0.014661 0.020983 -0.042592 -0.009163 220 F 15 XX 0.004116 -0.014198 -0.009916 0.005964 -0.006611 221 F 15 YY 0.007369 0.000737 0.015823 0.002503 0.006310 222 F 15 ZZ -0.011485 0.013461 -0.005907 -0.008467 0.000300 223 F 15 XY -0.001627 -0.003051 -0.008475 -0.001794 0.000701 224 F 15 XZ 0.000775 0.020894 -0.008389 -0.000154 0.007205 225 F 15 YZ 0.002734 0.013422 -0.007050 0.006747 -0.004727 226 F 16 S 0.001048 0.002494 -0.000518 -0.003861 -0.004362 227 F 16 S 0.002479 -0.004840 -0.013938 -0.014060 0.001658 228 F 16 S 0.040401 -0.067836 -0.116489 -0.000231 0.127519 229 F 16 X 0.030824 -0.034429 -0.087693 0.042092 0.025673 230 F 16 Y -0.032664 0.117616 0.039423 0.019068 -0.085064 231 F 16 Z -0.041015 -0.012005 -0.054739 -0.045178 0.001235 232 F 16 X -0.081180 0.019430 0.129517 -0.126143 -0.020574 233 F 16 Y 0.105851 -0.127530 0.061552 0.035696 0.073858 234 F 16 Z 0.065368 -0.035258 0.018641 0.078929 0.028345 235 F 16 XX 0.000378 0.003801 -0.008801 0.000313 -0.007983 236 F 16 YY 0.002237 0.004710 -0.005525 0.004077 -0.003011 237 F 16 ZZ -0.002615 -0.008511 0.014326 -0.004390 0.010994 238 F 16 XY -0.004507 -0.001817 -0.004121 -0.007117 0.004334 239 F 16 XZ -0.002276 -0.002829 0.004326 -0.000456 0.004773 240 F 16 YZ -0.000685 0.001187 0.001493 0.003955 -0.001642 241 F 17 S -0.019769 0.011796 -0.000391 0.021566 0.020029 242 F 17 S -0.039456 0.030566 0.008365 0.056004 0.038011 243 F 17 S 0.106175 0.005417 0.078124 -0.046804 -0.135557 244 F 17 X 0.045766 0.043565 0.003646 0.039868 -0.040410 245 F 17 Y 0.105730 -0.037495 0.062583 -0.074712 -0.064142 246 F 17 Z 0.011436 0.046627 0.037441 0.127384 -0.041019 247 F 17 X -0.112571 -0.050636 -0.003486 -0.068075 0.071736 248 F 17 Y -0.138962 0.125769 -0.019412 0.246159 0.057857 249 F 17 Z 0.012485 -0.100539 -0.046282 -0.218520 -0.021708 250 F 17 XX 0.002883 -0.003973 -0.003815 -0.001115 0.001107 251 F 17 YY -0.008223 -0.001201 -0.008617 0.003301 -0.010325 252 F 17 ZZ 0.005340 0.005174 0.012432 -0.002186 0.009218 253 F 17 XY 0.008114 -0.004855 -0.000247 -0.000132 0.007904 254 F 17 XZ 0.002539 -0.003078 -0.000315 -0.011540 0.007282 255 F 17 YZ -0.001268 0.010012 0.001640 0.004372 0.005516 256 F 18 S -0.019761 0.007462 0.003729 0.015053 0.021665 257 F 18 S -0.050985 0.018631 0.006239 0.023491 0.055065 258 F 18 S -0.000408 -0.002884 -0.063708 -0.162456 -0.027320 259 F 18 X 0.078192 0.014056 0.041419 -0.003577 -0.049075 260 F 18 Y 0.046769 -0.068155 -0.009114 -0.156081 -0.005877 261 F 18 Z 0.050162 -0.005025 0.037217 0.070433 -0.050262 262 F 18 X -0.134952 -0.052331 -0.079722 -0.023911 0.130967 263 F 18 Y -0.112033 0.174044 0.032225 0.301205 0.039567 264 F 18 Z -0.039000 -0.034911 -0.035765 -0.039734 0.055697 265 F 18 XX 0.001560 0.007859 -0.003340 -0.000522 -0.008827 266 F 18 YY -0.002805 -0.009121 -0.002936 -0.001508 0.005798 267 F 18 ZZ 0.001245 0.001262 0.006276 0.002030 0.003028 268 F 18 XY -0.004084 0.006845 -0.001039 -0.000411 0.002996 269 F 18 XZ 0.006792 -0.008640 0.001900 0.008126 -0.008625 270 F 18 YZ 0.003460 0.004931 0.009498 -0.003499 0.002368 271 C 19 S 0.000492 0.007963 0.012044 -0.017345 0.034752 272 C 19 S -0.013261 0.007705 0.019993 -0.027441 0.080133 273 C 19 S -0.220914 0.244964 -0.360120 0.237175 0.744347 274 C 19 X 0.039240 0.001421 -0.018607 -0.020014 -0.031049 275 C 19 Y 0.058856 -0.041406 0.052063 -0.056882 -0.165283 276 C 19 Z -0.086427 0.062752 0.003415 0.006332 0.109609 277 C 19 X 0.106605 0.091552 0.047679 0.000626 -0.143137 278 C 19 Y 0.178463 0.054669 0.065743 -0.157047 -0.125507 279 C 19 Z -0.051187 -0.037212 -0.307249 0.142101 0.167475 280 C 19 XX 0.012073 -0.063745 0.049152 -0.022904 -0.089876 281 C 19 YY -0.040834 0.032973 -0.082083 0.056204 0.086740 282 C 19 ZZ 0.028761 0.030772 0.032931 -0.033300 0.003136 283 C 19 XY -0.036841 -0.017619 0.033694 -0.080363 0.058093 284 C 19 XZ 0.067015 -0.057001 -0.008843 0.031968 0.081922 285 C 19 YZ 0.219769 -0.126763 0.076577 -0.113751 -0.254982 286 H 20 S 0.011824 0.031077 -0.024277 -0.023435 0.077505 287 H 20 S -0.015230 -0.106939 0.060285 -0.046230 -0.095267 288 H 20 X -0.013053 0.012351 -0.057264 0.036709 0.058124 289 H 20 Y -0.072609 -0.008543 0.001148 0.064572 0.033851 290 H 20 Z 0.011430 0.033994 0.157958 -0.109122 -0.204492 291 H 21 S 0.074181 -0.061803 0.011352 -0.044623 -0.094567 292 H 21 S -0.130881 0.034434 -0.101400 0.123471 0.178813 293 H 21 X 0.052635 -0.101001 -0.071489 0.065507 0.026418 294 H 21 Y 0.101640 -0.176165 0.125307 -0.078883 -0.238959 295 H 21 Z -0.061026 0.040962 0.099068 -0.039790 -0.009510 296 C 22 S 0.029546 0.000100 -0.003013 -0.007467 -0.038670 297 C 22 S 0.052567 -0.002290 -0.003195 -0.005217 -0.085045 298 C 22 S -0.731293 -0.497359 0.251878 0.249554 0.166012 299 C 22 X 0.041116 0.034602 -0.009798 -0.006865 0.051865 300 C 22 Y 0.010676 -0.027261 0.023465 0.042454 -0.047244 301 C 22 Z -0.067077 -0.093721 -0.006494 0.085873 -0.052524 302 C 22 X -0.229964 -0.071037 0.008050 -0.041256 0.097164 303 C 22 Y -0.478964 -0.103623 0.093447 0.262168 0.045772 304 C 22 Z -0.201607 0.039521 -0.180558 -0.073675 -0.199700 305 C 22 XX -0.023601 0.024265 0.024752 0.017327 0.014705 306 C 22 YY 0.022252 0.023697 -0.011125 -0.053171 0.055651 307 C 22 ZZ 0.001349 -0.047962 -0.013627 0.035845 -0.070356 308 C 22 XY -0.135190 -0.007799 0.025655 0.084358 0.055298 309 C 22 XZ 0.186430 0.150645 0.068454 -0.117112 0.149283 310 C 22 YZ -0.080682 -0.152899 -0.058437 0.068775 0.009794 311 H 23 S -0.019836 -0.030713 -0.000508 -0.028799 -0.038181 312 H 23 S -0.214494 0.031155 -0.000340 0.091310 0.073536 313 H 23 X 0.052877 0.025234 0.003455 0.072619 -0.040957 314 H 23 Y 0.024754 0.000928 -0.012854 -0.059362 0.066087 315 H 23 Z 0.143184 -0.023188 0.079881 -0.001226 0.189010 316 H 24 S 0.032526 -0.041068 -0.020988 0.048993 -0.011479 317 H 24 S 0.171243 0.093464 0.076696 -0.026034 0.036117 318 H 24 X 0.038056 -0.024189 -0.090825 0.083438 -0.126465 319 H 24 Y 0.179346 0.095089 0.004584 -0.174255 -0.026118 320 H 24 Z -0.029536 -0.079150 0.052818 0.025923 0.095312 321 H 25 S 0.131135 0.132884 -0.036398 -0.089887 -0.000259 322 H 25 S -0.092954 -0.070658 -0.081813 0.075832 -0.147535 323 H 25 X 0.245385 0.155638 0.001466 -0.061207 0.036271 324 H 25 Y 0.075298 -0.174484 -0.035956 -0.002642 0.021324 325 H 25 Z 0.057611 -0.066967 0.011154 0.069007 -0.007022 326 C 26 S -0.012561 -0.040079 0.188190 0.158385 -0.078783 327 C 26 S -0.051241 -0.081156 0.311957 0.325044 -0.166370 328 C 26 S -0.712293 0.284136 -1.526363 -0.527012 -0.233118 329 C 26 X 0.039346 -0.032013 0.043566 -0.024607 -0.057987 330 C 26 Y -0.013674 -0.054997 -0.213496 0.037721 -0.065020 331 C 26 Z -0.212001 -0.031946 -0.087969 0.205089 -0.197209 332 C 26 X -0.432055 0.090498 -0.034513 -0.243997 -0.194501 333 C 26 Y -0.035381 0.060604 -0.206309 -0.222524 -0.243555 334 C 26 Z -0.325018 0.068334 -0.718485 -0.222548 0.028437 335 C 26 XX -0.065959 0.011604 0.167871 0.007992 -0.001870 336 C 26 YY -0.109751 0.007311 0.164496 -0.063315 -0.049878 337 C 26 ZZ 0.175710 -0.018916 -0.332366 0.055323 0.051748 338 C 26 XY 0.016009 -0.123603 0.058011 -0.081938 -0.068432 339 C 26 XZ -0.037964 -0.041079 -0.060615 -0.021734 -0.128341 340 C 26 YZ 0.047411 -0.107690 -0.300389 -0.115549 0.046570 341 H 27 S -0.062272 0.086963 0.171497 0.062057 0.024442 342 H 27 S -0.133891 -0.085018 -0.066272 -0.237791 -0.091606 343 H 27 X 0.063944 -0.025910 -0.018963 0.066659 -0.075884 344 H 27 Y -0.077296 -0.041370 -0.109981 -0.020423 -0.038734 345 H 27 Z 0.064521 -0.160252 0.004967 -0.119244 0.087129 346 H 28 S 0.041295 -0.072626 -0.055171 0.100786 0.046974 347 H 28 S -0.063252 0.037390 0.161790 0.105827 0.001238 348 H 28 X 0.119814 -0.004729 -0.035715 0.135197 0.052799 349 H 28 Y 0.112695 -0.000382 -0.264238 0.059935 0.001864 350 H 28 Z 0.104874 0.077862 0.007555 0.203373 -0.196487 351 H 29 S 0.139883 -0.060942 0.166276 0.058621 -0.059909 352 H 29 S 0.096132 0.051550 0.007405 0.009166 0.155449 353 H 29 X 0.127167 -0.004501 0.010817 0.013538 0.032800 354 H 29 Y 0.000679 0.050733 -0.161262 0.121380 0.091413 355 H 29 Z 0.111861 0.059471 0.107319 -0.120341 0.070507 356 C 30 S -0.143350 0.124613 -0.066512 -0.068620 -0.069480 357 C 30 S -0.254052 0.252529 -0.150920 -0.107151 -0.146280 358 C 30 S 0.847387 -0.815681 0.707804 0.727057 0.071523 359 C 30 X -0.048509 -0.015840 0.039428 -0.021270 -0.029213 360 C 30 Y -0.033045 0.000982 -0.089107 -0.208709 -0.036103 361 C 30 Z -0.002609 -0.056010 0.095053 -0.037865 0.104091 362 C 30 X 0.049792 -0.179145 -0.083732 -0.101284 -0.182464 363 C 30 Y -0.048549 0.096155 -0.053653 -0.519826 0.426459 364 C 30 Z -0.519640 -0.143429 -0.098959 -0.347177 -0.169488 365 C 30 XX 0.011290 -0.030183 0.209757 -0.053446 -0.054092 366 C 30 YY -0.168697 0.020948 0.155559 -0.040335 0.064309 367 C 30 ZZ 0.157407 0.009235 -0.365316 0.093781 -0.010217 368 C 30 XY -0.062600 0.089527 0.006875 0.129177 0.094614 369 C 30 XZ 0.157278 0.091855 -0.062173 0.091502 0.068845 370 C 30 YZ 0.171124 0.033879 0.162688 0.389295 -0.156493 371 H 31 S 0.012632 0.088370 0.048144 0.041051 0.023956 372 H 31 S -0.075270 0.134019 -0.162563 -0.328420 0.210020 373 H 31 X -0.125509 0.060200 0.031932 0.164327 0.136601 374 H 31 Y 0.032037 0.096733 -0.060203 -0.148934 -0.055354 375 H 31 Z 0.210901 0.264596 0.183236 0.174576 -0.029342 376 H 32 S -0.046347 0.115237 -0.199774 -0.051282 -0.053668 377 H 32 S 0.035998 -0.002922 0.106926 0.068232 -0.190570 378 H 32 X -0.105226 0.029297 0.080794 0.100959 -0.036418 379 H 32 Y -0.004408 0.034140 -0.062818 0.019618 -0.092716 380 H 32 Z 0.029302 0.167124 -0.108416 0.055392 0.189713 381 H 33 S -0.147143 0.052351 -0.108639 -0.117621 -0.063463 382 H 33 S 0.052717 0.212957 0.143782 0.279928 0.044648 383 H 33 X -0.136971 0.016076 -0.035407 -0.068561 0.074129 384 H 33 Y 0.097772 -0.065948 -0.074106 -0.048098 -0.180126 385 H 33 Z -0.083857 0.063774 -0.119165 -0.157569 0.030766 386 H 34 S -0.048682 0.027495 0.088870 -0.007064 0.020707 387 H 34 S 0.075894 -0.031996 0.096128 -0.077710 -0.138365 388 H 34 X -0.055262 -0.010011 0.013054 0.036663 -0.063755 389 H 34 Y -0.194122 0.013012 0.049810 0.062238 0.074086 390 H 34 Z -0.054425 0.040577 0.053281 -0.040079 -0.010816 391 F 35 S -0.002529 0.006260 -0.008601 -0.005189 -0.005175 392 F 35 S 0.008533 0.008995 -0.001324 -0.019345 0.001334 393 F 35 S 0.142658 -0.076780 0.208794 -0.081533 0.152942 394 F 35 X 0.120231 -0.028193 0.098407 -0.017398 0.086471 395 F 35 Y 0.043584 0.062529 0.012340 0.010806 0.050017 396 F 35 Z -0.020687 -0.003333 -0.079961 0.041799 -0.031137 397 F 35 X -0.046386 -0.021273 0.034512 -0.025159 -0.018259 398 F 35 Y -0.086496 -0.097527 -0.030511 -0.081154 -0.093868 399 F 35 Z 0.020881 0.033824 0.062128 -0.029657 -0.015454 400 F 35 XX -0.000936 0.004265 0.001856 -0.008202 0.002432 401 F 35 YY 0.002475 -0.009511 0.005440 0.001392 0.005518 402 F 35 ZZ -0.001539 0.005246 -0.007296 0.006810 -0.007950 403 F 35 XY 0.006563 -0.010376 0.016552 0.020440 -0.002266 404 F 35 XZ -0.008194 -0.000800 0.004852 -0.006612 0.002139 405 F 35 YZ 0.001441 0.008707 0.000885 -0.002177 0.006274 406 F 36 S -0.016253 -0.004258 0.001421 -0.015732 -0.006164 407 F 36 S -0.033797 -0.023199 -0.002586 -0.030439 -0.015968 408 F 36 S 0.069723 -0.152008 -0.052657 0.062479 0.002916 409 F 36 X -0.031228 -0.050136 -0.001394 -0.026505 0.007300 410 F 36 Y 0.027618 0.059453 0.022060 0.074584 0.075019 411 F 36 Z 0.041023 -0.081048 -0.058163 0.076284 -0.003680 412 F 36 X 0.067352 0.068671 0.014792 0.050426 -0.024694 413 F 36 Y -0.048606 -0.128824 -0.009657 -0.166066 -0.167575 414 F 36 Z 0.025571 0.029150 0.054802 -0.049140 0.001461 415 F 36 XX -0.010700 0.006155 -0.010689 0.004807 -0.009985 416 F 36 YY 0.016025 -0.002714 0.012612 -0.004407 0.013561 417 F 36 ZZ -0.005325 -0.003441 -0.001924 -0.000400 -0.003576 418 F 36 XY 0.002503 0.009675 -0.001102 0.016001 0.007786 419 F 36 XZ -0.009171 -0.000097 -0.002531 -0.005500 0.001511 420 F 36 YZ -0.003059 0.004751 -0.001275 0.004022 0.001205 421 C 37 S -0.055586 0.015468 -0.027800 -0.078943 0.213278 422 C 37 S -0.095009 0.035171 -0.101271 -0.139714 0.403916 423 C 37 S 0.722907 -0.777953 -2.072511 1.602077 -3.224743 424 C 37 X -0.061102 0.034714 0.168074 0.000977 -0.099421 425 C 37 Y 0.009266 0.085416 0.159095 -0.055969 -0.030644 426 C 37 Z 0.004818 0.049750 0.081825 0.033516 0.044009 427 C 37 X -0.423041 0.617593 0.897896 -1.080733 2.097294 428 C 37 Y 0.011308 0.658339 -1.111336 0.872143 1.186513 429 C 37 Z -0.162574 0.048365 -0.088423 -0.231760 0.275630 430 C 37 XX 0.098573 -0.054457 -0.043900 0.010974 -0.011418 431 C 37 YY 0.087546 0.054783 -0.079426 -0.009122 0.011535 432 C 37 ZZ -0.186119 -0.000326 0.123326 -0.001852 -0.000116 433 C 37 XY -0.006036 -0.130200 0.053035 -0.044250 -0.065409 434 C 37 XZ 0.082071 -0.045831 -0.236786 0.006067 -0.203870 435 C 37 YZ -0.242255 0.315067 0.269269 -0.044299 -0.060814 436 S 38 S 0.018229 0.016292 0.001469 -0.003163 0.021002 437 S 38 S 0.126608 0.115445 0.013944 -0.022781 0.139645 438 S 38 S 0.138341 0.135705 0.029704 -0.028619 0.123339 439 S 38 S -0.557932 -0.507547 0.428310 0.510425 -1.080067 440 S 38 X 0.000160 -0.019207 0.024206 -0.004749 -0.021995 441 S 38 Y 0.012597 -0.012370 -0.021237 -0.013139 0.021734 442 S 38 Z 0.002980 0.000310 -0.006021 0.001063 -0.009093 443 S 38 X 0.003749 -0.075826 0.106303 -0.031737 -0.069872 444 S 38 Y 0.064646 -0.032389 -0.062231 -0.049419 0.103468 445 S 38 Z 0.019280 0.003426 -0.022211 0.000627 -0.051861 446 S 38 X -0.100834 0.095760 0.254055 -0.062444 -0.135149 447 S 38 Y 0.208650 0.206220 0.018268 -0.246579 0.276690 448 S 38 Z -0.070937 -0.031063 0.024713 0.009647 -0.032740 449 S 38 XX 0.005819 -0.060546 0.052270 -0.015037 -0.088000 450 S 38 YY -0.079364 0.009979 -0.038624 0.007424 -0.019261 451 S 38 ZZ 0.073544 0.050567 -0.013646 0.007613 0.107261 452 S 38 XY -0.030597 -0.019895 -0.068343 0.028050 -0.144939 453 S 38 XZ 0.036407 -0.033714 0.020308 -0.015812 -0.024815 454 S 38 YZ 0.023051 -0.033815 -0.021201 -0.004073 0.076053 455 S 38 XX 0.000516 -0.007022 0.004921 -0.003175 -0.009798 456 S 38 YY -0.010434 -0.001873 -0.005300 0.002201 0.000370 457 S 38 ZZ 0.009918 0.008896 0.000378 0.000974 0.009429 458 S 38 XY -0.005149 -0.001748 -0.009113 0.004910 -0.027146 459 S 38 XZ 0.008529 -0.006506 0.005070 -0.003053 -0.004212 460 S 38 YZ 0.004610 -0.007965 -0.008163 0.000873 0.016503 461 H 39 S -0.039501 -0.009186 -0.051139 0.111221 -0.067110 462 H 39 S 0.187217 -0.101265 -0.289842 0.298381 -0.373303 463 H 39 X -0.056322 -0.015943 0.026033 0.057933 -0.147410 464 H 39 Y 0.024320 -0.138192 0.131244 0.003657 -0.273830 465 H 39 Z -0.031729 0.035567 0.264071 0.111816 0.102266 331 332 333 334 335 2.1477 2.1498 2.1664 2.1798 2.1968 A A A A A 1 C 1 S -0.043405 0.023578 0.003267 0.055402 0.043083 2 C 1 S -0.068428 0.040470 0.000639 0.127952 0.099795 3 C 1 S 0.999957 0.586061 -0.386486 1.725262 0.330661 4 C 1 X -0.102410 -0.060522 0.073862 -0.188399 -0.108880 5 C 1 Y 0.005277 0.033311 -0.044544 0.060251 0.009243 6 C 1 Z -0.003022 0.031092 -0.035843 -0.006484 0.026138 7 C 1 X -0.664094 -0.426574 -0.063492 -1.359789 -0.221041 8 C 1 Y 0.233591 0.403411 0.678789 -0.959748 0.208069 9 C 1 Z 0.061298 0.187428 0.060190 0.012536 0.092667 10 C 1 XX 0.067914 0.099923 -0.046427 0.075405 0.118451 11 C 1 YY 0.064257 -0.175133 0.017338 -0.082343 -0.068204 12 C 1 ZZ -0.132171 0.075210 0.029089 0.006938 -0.050247 13 C 1 XY 0.021413 0.111765 0.106705 -0.060670 0.074928 14 C 1 XZ 0.033537 -0.084447 0.047370 -0.131903 -0.008896 15 C 1 YZ -0.056981 -0.083571 -0.004315 0.353702 -0.213500 16 C 2 S 0.101173 0.104388 0.015565 0.110856 0.086455 17 C 2 S 0.206301 0.197802 0.032146 0.191676 0.159152 18 C 2 S -0.978571 -2.318539 -0.170324 -2.231708 -0.857923 19 C 2 X -0.102540 -0.039014 0.020559 -0.077086 -0.092207 20 C 2 Y 0.141089 0.021040 -0.061412 -0.050313 0.089463 21 C 2 Z 0.012639 -0.016027 -0.018506 0.026327 -0.006284 22 C 2 X -0.858818 -0.821326 0.074966 -2.292994 -0.284642 23 C 2 Y 0.005808 -1.019017 -0.571773 0.402243 -0.331942 24 C 2 Z 0.002434 -0.116102 -0.042515 0.053425 -0.026702 25 C 2 XX -0.159535 0.006468 0.077143 -0.231950 -0.101893 26 C 2 YY 0.109027 -0.024225 -0.055315 0.083085 -0.029813 27 C 2 ZZ 0.050508 0.017757 -0.021827 0.148865 0.131706 28 C 2 XY -0.025572 -0.014475 -0.032947 0.020182 0.079447 29 C 2 XZ 0.081861 -0.073703 0.083714 -0.094087 0.086803 30 C 2 YZ -0.057238 0.107206 0.021204 -0.005456 0.158611 31 C 3 S -0.035588 -0.065133 -0.216872 0.144201 0.020110 32 C 3 S -0.109251 -0.144555 -0.410200 0.283962 0.094525 33 C 3 S 0.246250 -0.340450 2.756073 -2.130075 1.176185 34 C 3 X -0.077285 -0.051615 0.043082 -0.094664 -0.024148 35 C 3 Y 0.009133 0.067134 -0.095189 0.115519 0.137721 36 C 3 Z -0.066218 -0.097833 0.018763 0.030092 -0.022825 37 C 3 X 0.360889 2.071800 0.925848 4.399255 -0.410614 38 C 3 Y 0.126379 -1.915261 0.955667 -0.355043 -0.046258 39 C 3 Z 0.069213 0.234247 0.149401 0.259805 0.073054 40 C 3 XX 0.049044 0.018521 0.083818 -0.079956 0.155526 41 C 3 YY -0.187292 -0.091000 0.034417 0.033813 -0.125264 42 C 3 ZZ 0.138248 0.072479 -0.118236 0.046143 -0.030262 43 C 3 XY 0.069113 -0.110991 -0.081153 0.098470 -0.069127 44 C 3 XZ 0.013817 0.167255 0.010674 -0.076161 0.139280 45 C 3 YZ -0.079400 0.084380 -0.005141 0.163001 0.051574 46 C 4 S 0.031941 0.036854 0.216465 0.404402 0.199874 47 C 4 S 0.071393 0.060732 0.409682 0.767943 0.404811 48 C 4 S -0.495805 -0.386546 -2.677960 -4.217055 -0.221218 49 C 4 X 0.046063 -0.032004 -0.005376 0.040127 -0.098067 50 C 4 Y -0.000273 -0.012883 -0.087749 0.053575 0.247551 51 C 4 Z 0.078906 -0.000757 0.093299 0.025836 0.089262 52 C 4 X -0.490868 -0.256457 0.803120 0.656676 1.113610 53 C 4 Y 0.085246 0.789414 0.991904 0.706537 -0.454724 54 C 4 Z 0.867893 -0.753283 0.622113 -0.019965 -0.826930 55 C 4 XX -0.005396 0.183683 -0.084793 0.091472 -0.021801 56 C 4 YY -0.204290 0.045368 0.054711 -0.003166 0.003624 57 C 4 ZZ 0.209686 -0.229051 0.030082 -0.088306 0.018176 58 C 4 XY 0.283431 -0.050926 0.012121 -0.087348 -0.172481 59 C 4 XZ 0.051036 -0.179437 0.108790 0.067033 0.095849 60 C 4 YZ 0.016386 -0.017822 -0.009806 -0.354759 -0.034939 61 S 5 S -0.030756 0.008456 -0.000427 -0.027278 -0.010938 62 S 5 S -0.219272 0.060167 -0.000140 -0.189171 -0.086256 63 S 5 S -0.261284 0.069885 0.013901 -0.209983 -0.143105 64 S 5 S 0.782189 -0.059876 0.102943 1.258109 -0.374624 65 S 5 X -0.009308 -0.000735 -0.019227 -0.025698 0.039126 66 S 5 Y 0.006492 0.014494 0.029481 0.006740 -0.026818 67 S 5 Z 0.002303 0.017258 -0.000274 0.006454 -0.006172 68 S 5 X -0.063493 0.009435 -0.079202 -0.101346 0.141875 69 S 5 Y 0.045472 0.051989 0.116820 0.019022 -0.089770 70 S 5 Z 0.023224 0.069557 0.000273 0.005020 -0.015903 71 S 5 X -0.249708 0.058290 -0.116941 -0.418068 0.093176 72 S 5 Y 0.375876 0.004058 0.039377 -0.347327 0.005592 73 S 5 Z 0.056353 -0.026034 0.068999 0.047210 -0.019782 74 S 5 XX 0.059312 -0.022857 0.079020 0.039312 0.001455 75 S 5 YY -0.006700 -0.015522 -0.069262 0.043283 -0.028878 76 S 5 ZZ -0.052612 0.038379 -0.009758 -0.082595 0.027423 77 S 5 XY -0.175498 0.026119 -0.114469 -0.000051 0.023989 78 S 5 XZ -0.060867 -0.041032 -0.038939 0.032474 -0.016126 79 S 5 YZ 0.043897 -0.021207 0.017500 0.031566 -0.055061 80 S 5 XX 0.008467 -0.001463 0.009853 0.007724 0.003174 81 S 5 YY -0.000494 -0.003222 -0.010827 0.001985 -0.003873 82 S 5 ZZ -0.007973 0.004685 0.000974 -0.009709 0.000700 83 S 5 XY -0.020421 0.005056 -0.011847 0.001835 0.000092 84 S 5 XZ -0.011632 -0.007867 -0.006053 0.014557 -0.006934 85 S 5 YZ 0.007973 -0.007408 0.002212 0.003546 -0.010605 86 H 6 S -0.013040 -0.109474 -0.040348 -0.082137 -0.032398 87 H 6 S -0.184055 -0.266471 -0.065980 -0.250411 -0.076153 88 H 6 X 0.031143 -0.014024 -0.112169 0.078892 -0.010322 89 H 6 Y -0.048029 0.009331 0.079648 -0.069824 -0.002071 90 H 6 Z 0.007961 0.055459 0.073350 -0.063167 0.152170 91 C 7 S -0.088860 -0.163039 -0.083767 0.085465 0.024673 92 C 7 S -0.212054 -0.318793 -0.156983 0.157401 0.060609 93 C 7 S -0.459687 1.075020 -0.905916 -1.270197 0.614357 94 C 7 X 0.010153 -0.133062 -0.143330 0.049149 -0.223452 95 C 7 Y 0.162321 0.033173 -0.086905 0.010883 -0.047201 96 C 7 Z -0.003392 0.045347 -0.074791 0.025439 -0.008957 97 C 7 X -0.395634 -1.088782 1.859218 0.151045 -1.371265 98 C 7 Y 0.201786 0.059319 1.841895 0.087456 -1.247188 99 C 7 Z -0.129468 0.309090 -0.182020 0.067669 0.462434 100 C 7 XX -0.161982 0.171796 0.216682 -0.000341 0.174851 101 C 7 YY 0.100839 0.033995 0.066663 -0.087412 -0.143525 102 C 7 ZZ 0.061143 -0.205791 -0.283345 0.087753 -0.031326 103 C 7 XY 0.114976 0.328141 -0.038098 -0.247605 0.125397 104 C 7 XZ -0.070834 0.168337 -0.139652 -0.120924 0.134736 105 C 7 YZ 0.042230 0.103833 -0.020154 -0.024482 -0.147187 106 C 8 S -0.029392 0.055060 0.105751 0.035576 0.019827 107 C 8 S -0.082810 0.114799 0.197910 0.075160 0.021729 108 C 8 S -0.767761 0.039922 -0.821404 0.194531 -0.990564 109 C 8 X -0.007549 -0.055093 -0.033279 0.039021 -0.131634 110 C 8 Y 0.231050 -0.018851 -0.139809 -0.073285 0.087257 111 C 8 Z 0.144877 -0.028176 0.005519 -0.016376 0.055369 112 C 8 X -1.363864 0.341672 -0.002192 0.177333 0.203670 113 C 8 Y -0.458082 0.258538 0.564519 -0.192065 0.774476 114 C 8 Z -0.055143 0.060379 0.073959 0.096195 0.120552 115 C 8 XX -0.022536 -0.122460 -0.023894 -0.007849 -0.119315 116 C 8 YY -0.122230 0.039229 -0.083924 -0.042216 0.084403 117 C 8 ZZ 0.144766 0.083231 0.107818 0.050065 0.034912 118 C 8 XY -0.073523 -0.059561 -0.217917 -0.047180 -0.020399 119 C 8 XZ 0.291669 -0.098648 0.118148 0.125668 -0.004320 120 C 8 YZ 0.092919 -0.035711 0.110707 0.095397 -0.128032 121 C 9 S -0.153125 -0.095218 0.055098 -0.261432 -0.050713 122 C 9 S -0.260514 -0.199188 0.069173 -0.539774 -0.096809 123 C 9 S 2.317552 -0.097505 -0.778923 1.890827 0.649423 124 C 9 X -0.015254 -0.044272 0.112142 0.101437 0.035913 125 C 9 Y 0.056662 -0.032836 0.060668 0.071409 -0.069801 126 C 9 Z 0.024032 0.116143 -0.020920 0.050857 0.139461 127 C 9 X 0.134982 -1.059206 -0.026285 -0.137328 0.038637 128 C 9 Y 0.152197 0.316038 -1.677156 -0.433235 1.708539 129 C 9 Z 0.790632 -0.763721 0.248365 -0.654828 0.148695 130 C 9 XX 0.024621 0.084254 -0.115052 -0.127460 0.218999 131 C 9 YY -0.011561 0.088237 0.075377 0.026632 0.138554 132 C 9 ZZ -0.013060 -0.172491 0.039674 0.100828 -0.357554 133 C 9 XY -0.034656 -0.153091 -0.164833 0.028673 0.191739 134 C 9 XZ -0.012440 -0.013702 -0.236441 -0.044858 0.018601 135 C 9 YZ 0.086712 0.022360 0.062402 0.127680 0.114548 136 C 10 S 0.016707 -0.042897 -0.277175 0.014442 -0.087767 137 C 10 S 0.023560 -0.113138 -0.539252 0.004931 -0.257955 138 C 10 S -0.965028 -1.588615 4.538300 0.499324 -3.143008 139 C 10 X -0.028813 -0.184404 -0.055463 0.122217 0.041323 140 C 10 Y 0.150697 0.013105 -0.139825 0.032054 -0.058574 141 C 10 Z -0.030995 0.165530 -0.013601 -0.047616 0.000114 142 C 10 X 0.415855 -0.538303 1.718838 1.055793 -0.203202 143 C 10 Y 0.477517 -0.490454 -0.700452 -0.263107 -0.912007 144 C 10 Z 0.061158 -0.091442 -0.477801 -0.219370 0.010618 145 C 10 XX 0.103059 0.193467 0.036401 -0.137353 -0.234496 146 C 10 YY -0.046611 -0.054060 -0.085602 0.058632 0.125660 147 C 10 ZZ -0.056448 -0.139407 0.049201 0.078722 0.108836 148 C 10 XY 0.109339 -0.055794 0.068477 -0.027015 -0.152443 149 C 10 XZ -0.023687 0.263168 -0.080790 0.015027 0.086335 150 C 10 YZ -0.052585 -0.121486 0.199089 -0.176487 0.163601 151 C 11 S -0.008211 -0.110415 0.071382 -0.130975 -0.083980 152 C 11 S -0.003664 -0.158391 0.148962 -0.264627 -0.248374 153 C 11 S 1.039696 3.213172 -2.168735 3.223647 -2.421914 154 C 11 X 0.145580 -0.167669 -0.068259 0.167173 0.013768 155 C 11 Y 0.105315 -0.016362 0.060741 0.037039 0.083886 156 C 11 Z -0.000063 0.020984 0.005397 -0.063087 0.017129 157 C 11 X -0.685283 1.020954 -0.761432 1.862178 1.292480 158 C 11 Y 0.570242 -0.462069 -1.879571 -2.102982 1.048931 159 C 11 Z -0.094913 0.054875 0.074281 0.267307 0.040387 160 C 11 XX -0.101375 0.067354 0.218292 -0.100978 -0.264124 161 C 11 YY 0.111195 0.099870 -0.090315 0.084973 0.172873 162 C 11 ZZ -0.009820 -0.167225 -0.127977 0.016005 0.091251 163 C 11 XY -0.144992 -0.037000 -0.007869 -0.104420 0.022866 164 C 11 XZ 0.051399 0.074791 0.115198 -0.116160 0.182688 165 C 11 YZ -0.013254 -0.278996 0.249377 -0.095332 0.030679 166 C 12 S -0.040708 -0.069618 0.078643 -0.073217 -0.199095 167 C 12 S -0.101892 -0.180552 0.162809 -0.149423 -0.342087 168 C 12 S 0.019011 -0.196269 0.277525 0.556530 2.647772 169 C 12 X 0.047419 0.038577 -0.019589 0.149496 -0.025610 170 C 12 Y 0.127485 0.208474 -0.109909 0.074878 -0.109669 171 C 12 Z 0.046640 0.066955 -0.042084 0.055872 -0.031701 172 C 12 X 0.275450 0.400834 0.262358 0.841146 0.900929 173 C 12 Y -0.048951 -0.091059 0.521571 -0.038015 -0.937533 174 C 12 Z 0.031423 0.604179 0.375542 0.054032 -0.523946 175 C 12 XX -0.073096 -0.056401 0.054551 0.151318 0.245760 176 C 12 YY 0.009254 -0.308952 -0.073924 -0.153699 -0.073237 177 C 12 ZZ 0.063841 0.365353 0.019373 0.002380 -0.172522 178 C 12 XY -0.119162 -0.100726 -0.107105 -0.222782 -0.105574 179 C 12 XZ 0.003815 -0.046590 -0.220972 -0.041998 -0.019413 180 C 12 YZ -0.150272 -0.039625 -0.132394 0.008133 0.138652 181 C 13 S 0.017460 0.166167 0.192537 -0.115243 0.207224 182 C 13 S 0.073485 0.320348 0.392541 -0.224720 0.380944 183 C 13 S 0.773368 -1.169125 -0.943536 0.139072 -2.460909 184 C 13 X 0.110305 0.038870 0.095339 -0.053000 0.016731 185 C 13 Y -0.050353 0.142343 0.213265 0.104237 -0.016053 186 C 13 Z 0.060544 0.042931 0.086781 -0.026120 -0.044250 187 C 13 X 0.088332 -0.370362 -0.402861 0.042303 -1.418184 188 C 13 Y 0.296193 1.356573 0.316820 0.659054 -0.157296 189 C 13 Z 0.068837 -0.288439 -0.523138 0.338503 -0.459830 190 C 13 XX 0.066149 -0.035123 -0.249860 0.029375 -0.127843 191 C 13 YY -0.028624 0.029235 0.108588 0.085297 -0.080504 192 C 13 ZZ -0.037525 0.005889 0.141272 -0.114672 0.208347 193 C 13 XY 0.140808 0.381574 0.092700 0.189573 -0.080607 194 C 13 XZ 0.000283 0.054903 0.018830 0.004082 -0.010996 195 C 13 YZ 0.151114 0.327844 -0.056327 0.174840 -0.072110 196 C 14 S 0.183082 0.017976 -0.182715 -0.097253 -0.235026 197 C 14 S 0.387950 0.071354 -0.356249 -0.168679 -0.417305 198 C 14 S -0.979091 0.951393 0.870891 0.845619 3.434226 199 C 14 X 0.006810 -0.135260 -0.112937 -0.017242 0.048555 200 C 14 Y 0.152439 0.148479 -0.038359 0.007754 0.068703 201 C 14 Z -0.023572 -0.040864 -0.023692 0.018277 0.022308 202 C 14 X 0.028420 -1.247982 -0.391203 -0.105371 1.194928 203 C 14 Y -0.747900 0.337061 0.843464 0.951319 1.192806 204 C 14 Z 0.275130 -0.278929 -0.052606 -0.411600 -0.215124 205 C 14 XX 0.170379 -0.193514 -0.232460 0.081254 0.245163 206 C 14 YY -0.200056 0.161607 0.207903 0.156843 -0.058082 207 C 14 ZZ 0.029677 0.031907 0.024557 -0.238097 -0.187080 208 C 14 XY 0.050344 -0.344442 -0.035685 0.020587 0.216843 209 C 14 XZ -0.057165 -0.059933 0.121814 -0.009698 0.143933 210 C 14 YZ -0.049201 0.009357 0.061400 0.001728 -0.005674 211 F 15 S 0.002362 0.010736 0.029381 -0.006528 -0.022715 212 F 15 S 0.005036 -0.005689 0.061609 -0.019109 -0.046695 213 F 15 S -0.008663 -0.319231 -0.186758 -0.009628 0.095437 214 F 15 X 0.007190 -0.022884 0.043635 0.006395 0.078382 215 F 15 Y 0.002708 0.019384 0.110980 -0.019074 -0.096755 216 F 15 Z 0.010744 0.247856 0.047645 0.015536 -0.065481 217 F 15 X -0.036232 -0.102819 -0.058613 -0.041776 -0.171951 218 F 15 Y 0.030767 0.021577 -0.234784 0.037008 0.177675 219 F 15 Z -0.008789 -0.150947 0.002760 0.007520 0.064587 220 F 15 XX 0.001230 0.018530 -0.006749 -0.001552 -0.000039 221 F 15 YY 0.003898 -0.004052 -0.006572 0.000780 -0.002811 222 F 15 ZZ -0.005128 -0.014478 0.013321 0.000772 0.002850 223 F 15 XY -0.003685 -0.005064 -0.009702 0.007289 -0.011875 224 F 15 XZ -0.003858 -0.011654 0.015992 0.003141 0.003106 225 F 15 YZ 0.010158 0.004341 -0.006909 -0.002813 -0.010497 226 F 16 S -0.001626 0.007266 0.000423 -0.011096 -0.046736 227 F 16 S -0.013716 0.032575 -0.005239 -0.021703 -0.104014 228 F 16 S -0.042823 0.156892 -0.079340 0.068787 0.149166 229 F 16 X 0.014421 0.008794 -0.051847 0.044210 0.070964 230 F 16 Y 0.078233 -0.089633 0.059977 -0.040086 -0.065403 231 F 16 Z -0.051056 0.075522 0.020000 0.002684 -0.043459 232 F 16 X -0.065218 0.038779 0.058518 -0.055065 -0.109063 233 F 16 Y -0.010827 0.090589 -0.099396 0.050171 0.092731 234 F 16 Z 0.060711 -0.035165 -0.100159 0.019664 0.133239 235 F 16 XX 0.001321 -0.011980 0.002575 -0.009498 -0.001698 236 F 16 YY 0.008827 0.023854 -0.009252 0.008430 -0.004197 237 F 16 ZZ -0.010147 -0.011874 0.006678 0.001069 0.005896 238 F 16 XY 0.000558 0.003715 -0.007382 0.016366 0.016607 239 F 16 XZ -0.000062 -0.009250 -0.007448 -0.008899 -0.011131 240 F 16 YZ 0.004806 0.013380 -0.000304 0.001514 -0.000718 241 F 17 S 0.008737 0.009353 -0.006727 -0.016258 -0.049560 242 F 17 S 0.030216 0.012739 -0.026213 -0.035636 -0.115992 243 F 17 S 0.043171 -0.134047 -0.032733 0.088294 0.099370 244 F 17 X 0.032356 -0.081174 -0.013327 0.093012 0.073277 245 F 17 Y -0.023895 -0.043592 0.028040 0.062250 0.053430 246 F 17 Z 0.102656 -0.024518 -0.089342 -0.050710 -0.041740 247 F 17 X -0.050250 0.128575 0.012963 -0.184671 -0.109550 248 F 17 Y 0.166019 0.010332 -0.191016 -0.123401 -0.137342 249 F 17 Z -0.124661 -0.013527 0.077352 0.103281 0.100289 250 F 17 XX 0.001842 0.003103 -0.004942 0.012203 0.002232 251 F 17 YY 0.001167 -0.006114 0.003112 -0.014578 -0.001621 252 F 17 ZZ -0.003009 0.003011 0.001830 0.002375 -0.000611 253 F 17 XY 0.005104 0.023966 -0.001175 0.007175 -0.024606 254 F 17 XZ -0.003517 0.011795 0.001521 0.004570 -0.017627 255 F 17 YZ 0.003231 -0.000942 0.000689 0.008153 -0.005401 256 F 18 S 0.026924 0.013562 -0.021707 -0.006154 -0.020199 257 F 18 S 0.053781 0.028534 -0.051987 0.001081 -0.038650 258 F 18 S -0.151565 -0.087835 0.022035 0.188552 0.088631 259 F 18 X 0.012976 -0.048787 -0.002932 0.059871 0.070242 260 F 18 Y -0.095136 -0.011163 0.017306 0.132538 0.105736 261 F 18 Z 0.056707 -0.000103 0.002142 -0.088710 -0.054116 262 F 18 X -0.043198 0.143123 -0.057921 -0.031894 -0.166144 263 F 18 Y 0.168252 -0.008579 -0.067372 -0.227113 -0.184472 264 F 18 Z -0.023434 0.046080 -0.041861 0.037007 0.017334 265 F 18 XX 0.001080 -0.008350 0.015773 -0.003408 0.000435 266 F 18 YY -0.007359 0.008470 0.000079 -0.004066 -0.001741 267 F 18 ZZ 0.006279 -0.000119 -0.015852 0.007474 0.001306 268 F 18 XY 0.002770 0.007277 0.012571 -0.004469 0.010806 269 F 18 XZ 0.003496 -0.000596 -0.014329 0.006348 -0.000633 270 F 18 YZ -0.005881 -0.003362 0.012581 -0.005234 0.008628 271 C 19 S 0.013938 0.028016 0.044954 -0.002648 0.024305 272 C 19 S 0.039030 0.056347 0.106194 -0.003293 0.048530 273 C 19 S 0.790052 -0.361565 -0.219431 0.028094 -0.347278 274 C 19 X 0.000481 -0.035401 -0.038178 -0.021861 0.052761 275 C 19 Y -0.152074 -0.048013 -0.094971 0.005354 -0.046338 276 C 19 Z -0.168715 0.033189 -0.118614 -0.074336 0.017334 277 C 19 X 0.093518 0.194198 0.042695 -0.077535 0.318677 278 C 19 Y -0.152803 -0.149101 -0.159796 0.026768 0.043571 279 C 19 Z -0.366038 0.022654 -0.138398 -0.190239 0.065125 280 C 19 XX -0.182281 -0.058322 -0.053964 0.034585 -0.181835 281 C 19 YY -0.008837 -0.027726 0.006297 -0.061087 0.071504 282 C 19 ZZ 0.191118 0.086048 0.047667 0.026502 0.110331 283 C 19 XY 0.014238 -0.093378 -0.027633 0.001484 0.109552 284 C 19 XZ -0.018706 -0.011264 -0.090471 -0.019739 0.092595 285 C 19 YZ 0.366015 -0.085408 0.172027 0.128337 -0.025498 286 H 20 S 0.062756 -0.019296 0.014945 0.003487 0.052349 287 H 20 S -0.229360 -0.051517 -0.023040 0.038876 -0.216546 288 H 20 X 0.049415 0.007443 0.044770 -0.024701 0.055699 289 H 20 Y -0.012330 0.138260 0.112235 -0.004844 -0.017410 290 H 20 Z 0.232643 -0.027151 0.180389 0.124061 -0.102676 291 H 21 S -0.001989 0.029830 0.056118 -0.002799 0.003922 292 H 21 S -0.186965 0.098008 -0.042461 -0.109301 0.084829 293 H 21 X -0.101473 0.000119 0.001887 -0.004528 -0.118508 294 H 21 Y 0.161962 0.076083 0.174464 0.102210 -0.000269 295 H 21 Z 0.082241 0.103774 0.060075 0.009455 0.061465 296 C 22 S -0.032514 0.033259 -0.008878 -0.009594 0.012978 297 C 22 S -0.062076 0.083235 -0.007734 -0.027210 0.031050 298 C 22 S 0.238030 0.177641 0.530775 -0.450400 0.065350 299 C 22 X 0.015379 -0.091330 -0.042056 0.114421 -0.053742 300 C 22 Y -0.048133 0.110258 0.072156 -0.040004 0.059372 301 C 22 Z -0.035913 -0.026757 0.021459 0.138867 -0.092828 302 C 22 X 0.168946 -0.117442 -0.072548 0.232124 -0.043758 303 C 22 Y 0.308709 0.207831 0.185118 0.109938 0.194614 304 C 22 Z -0.042303 -0.075395 -0.025126 0.391064 -0.192546 305 C 22 XX -0.002464 -0.032543 0.015248 -0.081550 0.028535 306 C 22 YY 0.029229 -0.058768 -0.020870 0.013164 -0.081736 307 C 22 ZZ -0.026766 0.091311 0.005623 0.068386 0.053201 308 C 22 XY 0.060881 -0.033073 0.015634 0.177024 0.048690 309 C 22 XZ 0.062354 0.041120 -0.014475 -0.327845 0.165621 310 C 22 YZ -0.008354 -0.094905 0.001414 0.059843 -0.064675 311 H 23 S -0.001773 0.044761 -0.004602 -0.022101 0.013498 312 H 23 S 0.176397 -0.023570 -0.021097 0.220442 0.036762 313 H 23 X -0.012206 0.095886 0.027370 0.087795 0.095930 314 H 23 Y -0.018164 -0.114946 -0.030425 0.029496 -0.109729 315 H 23 Z 0.058236 -0.001602 0.005386 -0.321931 0.140947 316 H 24 S -0.048675 -0.009303 -0.017193 0.064434 -0.019780 317 H 24 S 0.005820 0.115291 0.009611 -0.291963 0.160954 318 H 24 X -0.069972 0.026644 -0.028101 0.287555 -0.094151 319 H 24 Y -0.075540 -0.008209 -0.032021 -0.142664 -0.072737 320 H 24 Z 0.032885 -0.096802 0.012619 -0.045985 -0.051127 321 H 25 S -0.033240 -0.012159 -0.048841 -0.017562 -0.006270 322 H 25 S -0.055649 0.020159 0.016780 0.216837 -0.085460 323 H 25 X -0.002220 0.103729 -0.041100 -0.131703 0.131879 324 H 25 Y -0.066525 -0.106634 -0.009951 -0.070758 -0.129414 325 H 25 Z -0.033522 0.050497 0.019357 -0.032860 0.029288 326 C 26 S -0.118200 0.112510 -0.052241 0.104267 0.041972 327 C 26 S -0.226502 0.223273 -0.095396 0.182646 0.114030 328 C 26 S 0.652947 -0.872248 0.411448 -1.283470 0.129964 329 C 26 X 0.014995 0.052833 -0.101316 0.032654 -0.030486 330 C 26 Y -0.000104 -0.028211 0.139578 -0.081470 -0.095987 331 C 26 Z -0.076767 0.038358 -0.041002 -0.124599 0.124104 332 C 26 X 0.594451 0.131847 -0.296638 -0.139229 0.028475 333 C 26 Y 0.407701 0.042876 0.421701 0.163580 0.017886 334 C 26 Z 0.184647 -0.134234 -0.082228 -0.586940 0.298342 335 C 26 XX 0.038759 -0.049546 0.085235 -0.119561 -0.004613 336 C 26 YY -0.002619 -0.042631 -0.189194 -0.013253 -0.150433 337 C 26 ZZ -0.036140 0.092177 0.103959 0.132814 0.155046 338 C 26 XY 0.133325 -0.014421 -0.214379 -0.028881 0.024380 339 C 26 XZ 0.269596 0.104881 -0.183188 -0.018791 -0.025692 340 C 26 YZ 0.189418 0.041482 0.305401 0.012707 -0.025834 341 H 27 S -0.047535 0.112641 0.035983 0.139406 0.027142 342 H 27 S 0.475714 0.074953 -0.102291 -0.003368 -0.004962 343 H 27 X 0.026969 0.031347 0.150888 -0.012091 0.009355 344 H 27 Y -0.000045 -0.023794 -0.172925 -0.070225 -0.149196 345 H 27 Z 0.297255 -0.043155 0.084587 0.065505 -0.116426 346 H 28 S -0.042286 0.047680 0.021669 0.014906 -0.005525 347 H 28 S -0.172396 0.063013 -0.366740 -0.043088 0.090057 348 H 28 X -0.173383 0.025524 0.264225 0.030174 -0.062760 349 H 28 Y -0.035327 -0.061893 0.211413 0.009341 -0.109430 350 H 28 Z -0.087302 -0.067632 -0.041028 0.123224 -0.046742 351 H 29 S -0.080749 0.121434 -0.117356 0.181186 0.001923 352 H 29 S -0.281502 -0.034263 0.288205 -0.001137 0.086082 353 H 29 X -0.033468 0.046510 -0.024388 0.095604 -0.019141 354 H 29 Y -0.179241 -0.057793 0.038294 -0.051815 -0.080155 355 H 29 Z -0.147950 -0.052410 0.299201 0.083976 -0.005489 356 C 30 S 0.094931 -0.048284 0.051619 -0.048932 -0.007587 357 C 30 S 0.151195 -0.062373 0.091586 -0.062680 -0.014824 358 C 30 S -0.982847 0.811640 -0.319071 0.949157 0.620635 359 C 30 X 0.064496 0.092105 -0.028264 -0.023865 -0.162829 360 C 30 Y 0.024187 -0.101694 -0.073837 -0.005234 0.054305 361 C 30 Z 0.071045 -0.130562 -0.032511 -0.201047 -0.094639 362 C 30 X 0.094826 0.416151 -0.183614 -0.215505 -0.379477 363 C 30 Y 0.104093 -0.039227 -0.099954 0.328214 0.198484 364 C 30 Z 0.582852 -0.433764 0.203759 -0.629571 -0.092646 365 C 30 XX 0.043280 0.074870 0.023393 -0.100124 -0.025228 366 C 30 YY 0.046345 -0.123046 0.061206 0.177098 0.053141 367 C 30 ZZ -0.089625 0.048176 -0.084599 -0.076974 -0.027913 368 C 30 XY 0.025672 -0.221115 0.107629 -0.021219 0.128845 369 C 30 XZ -0.129978 -0.222792 0.001669 0.082625 0.216535 370 C 30 YZ -0.082651 0.029716 0.057854 -0.172502 -0.170340 371 H 31 S 0.033846 0.009748 0.038598 -0.084634 -0.047849 372 H 31 S -0.010754 -0.005535 -0.095225 0.284350 0.164643 373 H 31 X 0.062468 -0.208771 0.159412 0.059152 0.094330 374 H 31 Y -0.010300 -0.054751 -0.026406 0.082807 0.029952 375 H 31 Z -0.097213 0.035006 -0.002481 0.062345 -0.186604 376 H 32 S 0.049371 -0.100873 0.045258 -0.116528 0.018969 377 H 32 S 0.024988 0.292020 -0.103720 -0.143221 -0.400501 378 H 32 X 0.057566 0.037528 0.046870 -0.039671 -0.084387 379 H 32 Y -0.013081 -0.147371 0.021787 -0.211176 0.045215 380 H 32 Z -0.103438 -0.064674 -0.041036 0.232445 0.147644 381 H 33 S 0.112900 -0.048235 -0.016230 -0.088929 -0.045733 382 H 33 S -0.137591 -0.263701 0.149694 -0.009760 0.103718 383 H 33 X 0.085176 -0.101764 -0.030603 0.085162 -0.005173 384 H 33 Y 0.001936 0.161495 -0.060868 -0.223907 -0.183801 385 H 33 Z -0.040508 0.266720 0.001581 0.184498 -0.070995 386 H 34 S -0.115749 0.049296 -0.023749 -0.008122 0.023727 387 H 34 S 0.313083 0.044905 0.174343 0.092224 0.035752 388 H 34 X -0.092581 -0.002828 0.100518 0.052082 -0.220449 389 H 34 Y -0.311906 0.181633 -0.014471 -0.063179 0.017863 390 H 34 Z -0.103043 -0.064962 -0.054713 0.000448 -0.113032 391 F 35 S 0.004177 0.000192 0.005341 -0.003667 0.018486 392 F 35 S 0.002417 0.005808 0.028043 -0.012789 0.047398 393 F 35 S -0.087851 0.086399 0.133159 -0.034897 -0.069429 394 F 35 X -0.042945 -0.000949 0.062498 0.004906 -0.031784 395 F 35 Y 0.035549 0.092518 0.006712 0.042596 0.007278 396 F 35 Z 0.021365 -0.002591 -0.101211 0.043585 -0.121513 397 F 35 X 0.006818 0.069158 0.068393 -0.049990 0.187658 398 F 35 Y -0.096924 -0.186895 0.044808 -0.086387 -0.015974 399 F 35 Z 0.003258 0.029924 0.141808 -0.081187 0.220512 400 F 35 XX -0.001776 -0.002772 0.009248 0.000854 0.002057 401 F 35 YY -0.002737 0.003166 -0.003636 -0.000028 -0.010908 402 F 35 ZZ 0.004513 -0.000394 -0.005612 -0.000827 0.008851 403 F 35 XY 0.006290 -0.005462 -0.019369 -0.004268 0.005691 404 F 35 XZ -0.003697 -0.012285 0.001831 0.000506 0.006908 405 F 35 YZ 0.006584 0.013731 -0.001921 0.006351 -0.006915 406 F 36 S 0.012376 0.033901 0.025691 -0.024219 0.034366 407 F 36 S 0.030114 0.085466 0.046864 -0.047670 0.071355 408 F 36 S -0.054429 -0.057363 -0.190423 0.161072 -0.094030 409 F 36 X -0.028822 -0.033467 -0.032370 0.004637 -0.057912 410 F 36 Y 0.063698 0.066173 -0.017620 0.030378 0.000649 411 F 36 Z 0.021024 0.052875 -0.112244 0.075239 -0.082100 412 F 36 X 0.058392 0.106530 0.095891 -0.033376 0.182563 413 F 36 Y -0.129505 -0.125021 0.042957 -0.058548 0.009095 414 F 36 Z -0.024278 -0.024237 0.075317 -0.029933 0.034559 415 F 36 XX 0.002309 -0.008878 -0.011322 -0.001701 -0.007056 416 F 36 YY -0.004484 0.003699 0.004307 0.008253 -0.005988 417 F 36 ZZ 0.002176 0.005179 0.007015 -0.006552 0.013044 418 F 36 XY 0.011798 0.006052 -0.009499 -0.001030 -0.001966 419 F 36 XZ -0.001531 -0.009411 -0.005517 0.005257 -0.007127 420 F 36 YZ -0.004115 -0.021314 0.003244 -0.009243 0.001546 421 C 37 S 0.094081 -0.037069 0.151588 0.007639 -0.111659 422 C 37 S 0.210058 -0.054156 0.321700 -0.005377 -0.236453 423 C 37 S -0.553176 0.769093 0.853759 -0.485401 0.248087 424 C 37 X -0.107471 0.002719 -0.102899 -0.036337 0.246024 425 C 37 Y 0.045952 -0.022059 -0.218951 0.035194 0.183144 426 C 37 Z -0.079503 0.013734 -0.045278 0.018594 0.053195 427 C 37 X 1.209920 -0.294285 -0.244735 0.140984 -0.165366 428 C 37 Y 1.389099 -0.682800 0.381965 -0.266175 0.695451 429 C 37 Z 0.422434 -0.024837 -0.165387 -0.130557 0.210654 430 C 37 XX -0.034079 0.004877 -0.083362 0.056686 -0.181458 431 C 37 YY 0.250034 0.079223 -0.114184 -0.091610 0.301949 432 C 37 ZZ -0.215954 -0.084100 0.197546 0.034923 -0.120491 433 C 37 XY -0.121075 0.001864 -0.020855 0.044704 -0.210636 434 C 37 XZ -0.019599 -0.033592 0.047523 -0.187868 -0.017938 435 C 37 YZ -0.137887 0.045863 0.041884 0.032551 -0.161762 436 S 38 S 0.017933 0.016562 -0.002742 -0.014190 -0.012301 437 S 38 S 0.124364 0.120240 -0.024777 -0.097203 -0.079444 438 S 38 S 0.136108 0.156388 -0.051088 -0.098985 -0.060356 439 S 38 S -0.817589 -0.258395 -0.659524 0.483575 0.942115 440 S 38 X -0.025597 0.017672 -0.004335 -0.000775 0.025234 441 S 38 Y 0.004010 -0.002446 0.050471 -0.019828 -0.046490 442 S 38 Z 0.005667 -0.001855 0.011179 0.003320 -0.005737 443 S 38 X -0.092784 0.060014 -0.024143 0.010342 0.093322 444 S 38 Y 0.026326 -0.003881 0.163897 -0.091753 -0.184759 445 S 38 Z 0.034998 -0.016280 0.050446 0.021277 -0.017020 446 S 38 X -0.176006 0.212340 -0.046467 0.103940 0.129644 447 S 38 Y 0.196157 0.261780 0.200627 -0.179314 -0.324911 448 S 38 Z -0.007399 -0.042178 -0.040554 -0.028411 -0.016052 449 S 38 XX -0.033437 0.074105 0.045306 -0.027981 0.006463 450 S 38 YY -0.020155 -0.107579 -0.064827 0.092127 0.062564 451 S 38 ZZ 0.053592 0.033473 0.019521 -0.064146 -0.069027 452 S 38 XY -0.009819 -0.037022 -0.033745 -0.056360 -0.011355 453 S 38 XZ 0.066385 -0.014955 0.012444 0.039983 0.001672 454 S 38 YZ -0.009597 0.043350 -0.020610 -0.014733 -0.008590 455 S 38 XX -0.004786 0.003847 0.000135 -0.001904 -0.000980 456 S 38 YY -0.000331 -0.012250 -0.000326 0.010784 0.005514 457 S 38 ZZ 0.005117 0.008403 0.000191 -0.008879 -0.004534 458 S 38 XY -0.001975 -0.002330 -0.011456 -0.014599 0.002849 459 S 38 XZ 0.016422 -0.003762 0.003305 0.010953 -0.000051 460 S 38 YZ -0.002453 0.009441 -0.003673 -0.004758 -0.003730 461 H 39 S -0.129923 -0.080968 0.068113 -0.025844 0.087030 462 H 39 S -0.219140 0.015998 -0.042114 0.024393 0.013147 463 H 39 X -0.113746 0.088664 0.110658 -0.070860 0.125389 464 H 39 Y -0.272140 0.154482 -0.001822 0.042940 0.038677 465 H 39 Z -0.149105 0.025165 0.015168 0.214750 -0.100837 336 337 338 339 340 2.2069 2.2127 2.2230 2.2383 2.2384 A A A A A 1 C 1 S 0.001735 0.062148 -0.038674 0.013700 0.039914 2 C 1 S 0.020470 0.120927 -0.043610 0.034897 0.092598 3 C 1 S 0.795341 -0.127402 1.283814 0.030030 -0.957870 4 C 1 X -0.084012 -0.069123 -0.087951 -0.021557 0.189785 5 C 1 Y 0.021384 0.013375 0.006669 0.056992 -0.226186 6 C 1 Z -0.008871 -0.011419 0.043097 0.015168 -0.028236 7 C 1 X -0.165952 -0.045109 -0.289883 -0.262197 0.769634 8 C 1 Y -0.515764 0.238992 -0.421874 -0.661805 0.206516 9 C 1 Z -0.011152 0.122985 -0.100981 -0.004745 -0.037255 10 C 1 XX 0.063223 0.012485 0.057231 -0.044245 -0.012591 11 C 1 YY 0.006476 -0.027942 0.063409 0.097656 -0.004938 12 C 1 ZZ -0.069699 0.015458 -0.120641 -0.053410 0.017529 13 C 1 XY -0.084951 0.097074 -0.057349 -0.129475 0.056360 14 C 1 XZ 0.075677 0.080226 -0.044265 -0.002818 0.018311 15 C 1 YZ -0.172491 -0.241277 -0.039168 -0.144443 -0.000392 16 C 2 S 0.003946 0.102780 0.037444 0.024732 -0.254497 17 C 2 S 0.015040 0.199655 0.087234 0.052894 -0.493446 18 C 2 S 1.403543 -1.350975 0.738788 1.214864 1.512432 19 C 2 X -0.035055 -0.021926 -0.067820 -0.012952 0.172368 20 C 2 Y 0.156838 0.062524 0.173019 0.006190 0.028959 21 C 2 Z 0.007394 -0.012018 0.031988 0.004755 -0.006970 22 C 2 X -0.735840 -0.040600 -0.795956 -0.075051 0.827034 23 C 2 Y 1.066693 -0.673914 1.027993 1.070233 0.167390 24 C 2 Z 0.054852 -0.081762 0.211913 0.095048 0.017563 25 C 2 XX -0.093988 -0.054122 -0.145448 -0.109102 0.220003 26 C 2 YY 0.090517 -0.016099 0.106056 0.027278 0.074380 27 C 2 ZZ 0.003471 0.070221 0.039392 0.081825 -0.294383 28 C 2 XY 0.048092 0.023739 0.049764 -0.017479 0.098226 29 C 2 XZ 0.173490 0.179892 -0.063695 0.048749 -0.025602 30 C 2 YZ 0.036690 0.151874 0.008854 0.156703 0.019466 31 C 3 S 0.022678 0.042068 0.015354 -0.049612 -0.030991 32 C 3 S 0.043192 0.041807 0.005753 -0.143036 -0.027200 33 C 3 S -0.029863 -1.385576 0.375284 -0.562732 1.729678 34 C 3 X -0.044469 -0.094218 -0.217344 -0.005300 -0.058155 35 C 3 Y 0.021430 -0.030631 -0.000437 -0.207549 0.170200 36 C 3 Z 0.014350 -0.118150 0.043761 -0.053236 0.027849 37 C 3 X -0.950206 0.897259 -1.775768 -1.852527 -1.557242 38 C 3 Y 2.466737 -1.804980 1.714799 1.754847 -0.050008 39 C 3 Z 0.054513 0.010310 -0.483876 -0.135830 -0.169992 40 C 3 XX 0.017965 0.049205 0.105236 -0.076623 0.068836 41 C 3 YY -0.092712 -0.104927 -0.189023 -0.003214 0.004273 42 C 3 ZZ 0.074747 0.055722 0.083787 0.079837 -0.073109 43 C 3 XY 0.103980 -0.065103 0.073346 -0.030879 -0.015126 44 C 3 XZ -0.049496 -0.052450 -0.006612 -0.031031 0.066072 45 C 3 YZ -0.086557 -0.030719 0.013818 0.050840 0.006495 46 C 4 S 0.031393 -0.172131 -0.210325 0.125407 -0.072526 47 C 4 S 0.061345 -0.360041 -0.436758 0.274622 -0.139420 48 C 4 S -0.424689 0.379557 0.800435 0.143686 0.827679 49 C 4 X -0.072859 0.032444 0.098902 0.013080 -0.021660 50 C 4 Y 0.199650 -0.189585 0.029493 0.171598 -0.094752 51 C 4 Z 0.028115 0.013022 0.021469 0.032901 -0.008655 52 C 4 X 1.134607 -0.879741 -0.318217 -0.369773 0.041978 53 C 4 Y -1.799391 0.322153 -1.608906 -1.424440 0.292397 54 C 4 Z -0.429070 0.162609 0.425351 -0.295574 -0.008636 55 C 4 XX 0.247023 0.189315 0.191185 -0.054688 -0.114712 56 C 4 YY -0.047825 -0.064182 -0.170386 -0.006012 -0.027084 57 C 4 ZZ -0.199198 -0.125133 -0.020799 0.060700 0.141796 58 C 4 XY -0.245719 0.119632 0.074984 0.310194 -0.042917 59 C 4 XZ -0.091109 -0.121081 0.038205 0.088429 -0.011858 60 C 4 YZ 0.126482 -0.006413 0.261024 0.024658 -0.002197 61 S 5 S 0.020158 0.010707 0.019462 -0.031258 0.019920 62 S 5 S 0.136785 0.077632 0.136906 -0.220516 0.143660 63 S 5 S 0.129714 0.098045 0.156250 -0.250748 0.181048 64 S 5 S -0.942161 0.024407 -0.527363 0.698078 -0.498181 65 S 5 X 0.043116 -0.006777 0.013155 0.006499 -0.009536 66 S 5 Y -0.034919 0.024077 -0.009301 -0.008017 0.005316 67 S 5 Z -0.015520 0.015057 -0.014044 0.002949 0.000704 68 S 5 X 0.186373 -0.017826 0.057186 -0.002932 -0.038534 69 S 5 Y -0.148979 0.083098 -0.041606 -0.008816 0.020378 70 S 5 Z -0.067703 0.063906 -0.051411 0.025780 0.008530 71 S 5 X 0.353375 -0.019062 0.240091 -0.238971 0.101885 72 S 5 Y -0.310369 -0.015425 -0.066593 -0.060637 0.034550 73 S 5 Z -0.139853 -0.049574 -0.017311 -0.003471 0.016298 74 S 5 XX -0.083862 0.030244 -0.022906 -0.021316 0.067406 75 S 5 YY 0.014175 -0.047251 -0.020480 0.099007 -0.115730 76 S 5 ZZ 0.069688 0.017007 0.043385 -0.077691 0.048325 77 S 5 XY 0.181590 0.002283 0.054032 -0.066329 0.036070 78 S 5 XZ 0.085001 -0.034895 0.039191 -0.033928 -0.023677 79 S 5 YZ -0.089298 -0.016013 -0.017347 0.003585 0.012592 80 S 5 XX -0.007775 0.009351 0.000386 -0.005216 0.012447 81 S 5 YY -0.001343 -0.011583 -0.008039 0.015667 -0.023810 82 S 5 ZZ 0.009118 0.002232 0.007654 -0.010452 0.011363 83 S 5 XY 0.021430 0.005416 0.008264 -0.014928 0.008975 84 S 5 XZ 0.011222 -0.007514 0.004115 -0.006158 -0.005894 85 S 5 YZ -0.015152 -0.005381 -0.000603 -0.001251 0.003577 86 H 6 S -0.079529 0.000264 -0.055883 0.062060 -0.117117 87 H 6 S 0.050012 -0.094026 0.060686 0.161460 0.308492 88 H 6 X 0.116868 -0.013118 0.138217 0.010970 0.109630 89 H 6 Y -0.064363 0.033899 -0.108974 -0.085587 0.161190 90 H 6 Z 0.126852 0.212899 -0.083040 0.104123 -0.020415 91 C 7 S -0.039071 0.169955 -0.035635 -0.059802 0.129507 92 C 7 S -0.054610 0.329715 -0.039737 -0.162474 0.247205 93 C 7 S -0.233595 -0.664790 -1.394966 -0.620394 -2.358185 94 C 7 X -0.052354 0.026576 0.002059 -0.117219 0.109901 95 C 7 Y -0.033440 -0.097530 -0.074869 0.166921 0.036511 96 C 7 Z 0.003449 0.033988 -0.094058 0.065969 -0.021153 97 C 7 X -0.387900 1.118720 2.280635 0.311000 2.557598 98 C 7 Y 0.455029 0.350361 0.535934 -0.466025 0.011286 99 C 7 Z 0.132222 -0.345980 -0.671542 -0.005100 -0.615374 100 C 7 XX -0.196112 0.038730 0.014187 0.012496 -0.053570 101 C 7 YY 0.256941 -0.240887 0.149198 -0.115792 -0.111130 102 C 7 ZZ -0.060829 0.202156 -0.163385 0.103296 0.164699 103 C 7 XY 0.115302 -0.121382 -0.025872 -0.242452 -0.056661 104 C 7 XZ -0.147843 -0.146478 -0.128113 0.007081 -0.043706 105 C 7 YZ -0.173106 0.058484 0.275880 -0.106382 0.042170 106 C 8 S 0.070962 0.029616 0.114046 -0.098439 -0.038099 107 C 8 S 0.153827 0.078237 0.237338 -0.172639 -0.104752 108 C 8 S 0.470357 0.483391 0.325692 2.831380 0.070069 109 C 8 X 0.040515 0.108181 0.047878 -0.017908 -0.080108 110 C 8 Y -0.157669 -0.069052 -0.226296 -0.270656 -0.121600 111 C 8 Z -0.046168 -0.064413 0.038133 0.019899 -0.035403 112 C 8 X 0.502498 0.057382 0.289401 1.257202 0.206352 113 C 8 Y 0.112495 -0.508290 0.071705 -0.992340 -0.573836 114 C 8 Z 0.110656 -0.128324 -0.090713 -0.075655 -0.053903 115 C 8 XX -0.016777 0.079088 -0.001551 0.005204 0.007463 116 C 8 YY -0.028271 -0.063928 0.024255 0.146577 -0.068061 117 C 8 ZZ 0.045048 -0.015160 -0.022705 -0.151781 0.060598 118 C 8 XY -0.087428 0.060489 -0.103770 0.125790 0.076848 119 C 8 XZ 0.134251 -0.010257 -0.019611 0.063573 0.023533 120 C 8 YZ 0.187876 0.159048 -0.129720 -0.045063 0.022666 121 C 9 S 0.153735 0.077352 0.090799 0.082273 0.189896 122 C 9 S 0.356512 0.124173 0.213763 0.160189 0.361780 123 C 9 S 0.418217 -1.357876 0.027221 -0.425503 -2.028473 124 C 9 X -0.117510 0.064914 0.057400 0.083274 -0.028295 125 C 9 Y -0.210977 0.045821 -0.208057 -0.171364 0.090907 126 C 9 Z -0.007572 -0.110023 -0.064822 -0.050174 -0.080982 127 C 9 X 0.173683 -0.329178 1.675241 -0.583095 0.550505 128 C 9 Y 0.728273 -1.622949 -0.078319 0.765070 -0.816079 129 C 9 Z 1.127860 -0.141701 1.073406 0.408850 0.065924 130 C 9 XX -0.008387 -0.157755 -0.223611 0.075415 -0.057426 131 C 9 YY 0.028433 -0.060694 0.108502 -0.041138 -0.062458 132 C 9 ZZ -0.020045 0.218450 0.115109 -0.034276 0.119884 133 C 9 XY -0.061101 -0.089810 0.180429 -0.164544 0.133903 134 C 9 XZ -0.072597 0.102967 -0.094370 -0.076209 0.009013 135 C 9 YZ 0.010637 -0.098404 -0.136761 -0.013950 -0.020063 136 C 10 S -0.171473 -0.024796 0.052807 0.082070 0.029547 137 C 10 S -0.357339 -0.110719 0.103325 0.156863 0.049766 138 C 10 S 0.697258 -0.426595 0.603674 -0.280373 -0.291338 139 C 10 X -0.195489 0.431962 -0.310810 0.271995 0.034358 140 C 10 Y 0.155085 -0.063287 0.057385 -0.067079 0.038675 141 C 10 Z -0.090499 -0.056198 0.098024 -0.008998 -0.015580 142 C 10 X 0.777263 0.635492 2.168058 0.454408 1.674149 143 C 10 Y -0.513242 0.132797 2.787100 -0.283678 3.720908 144 C 10 Z 0.195230 -0.113777 -0.304755 -0.155586 -0.229065 145 C 10 XX 0.065691 -0.281357 0.102367 -0.114301 0.111874 146 C 10 YY -0.088024 0.140839 -0.151318 0.011201 -0.062335 147 C 10 ZZ 0.022333 0.140517 0.048951 0.103099 -0.049538 148 C 10 XY -0.126779 0.068873 -0.035313 0.080543 0.119709 149 C 10 XZ -0.180269 0.022439 0.165362 -0.211250 -0.035028 150 C 10 YZ -0.174985 -0.133064 -0.020977 0.065041 -0.028005 151 C 11 S 0.121911 -0.035872 -0.055919 0.197839 -0.159155 152 C 11 S 0.281544 -0.122326 -0.170793 0.397195 -0.289632 153 C 11 S -0.940534 0.173833 -1.320496 -2.581460 2.254351 154 C 11 X -0.181931 0.163231 0.402212 -0.074630 -0.089974 155 C 11 Y 0.006034 0.062822 0.252163 -0.056769 -0.000741 156 C 11 Z 0.001514 -0.032393 0.010431 0.029505 -0.011089 157 C 11 X -1.642847 1.963268 -1.900004 -0.900181 -2.127546 158 C 11 Y -0.539824 0.053461 2.165547 -0.142455 2.681061 159 C 11 Z -0.230331 0.028170 0.198091 -0.006733 0.175553 160 C 11 XX -0.126519 -0.150476 -0.357739 0.112083 -0.087573 161 C 11 YY 0.164109 0.067984 0.228113 -0.114012 0.143802 162 C 11 ZZ -0.037591 0.082492 0.129626 0.001930 -0.056229 163 C 11 XY 0.070376 -0.151926 -0.098616 -0.015739 0.196106 164 C 11 XZ 0.010577 0.142178 -0.256512 0.067666 -0.022992 165 C 11 YZ -0.011853 -0.123954 -0.118015 0.005561 0.016212 166 C 12 S -0.092977 -0.132240 0.067776 -0.092299 0.037914 167 C 12 S -0.217324 -0.206256 0.124556 -0.207903 0.036477 168 C 12 S 0.090758 1.891887 0.518259 0.122142 -0.420087 169 C 12 X -0.041172 0.052791 0.063189 0.082940 0.065509 170 C 12 Y 0.138894 -0.131931 -0.036310 0.121518 0.103733 171 C 12 Z 0.081895 -0.054837 -0.002226 0.083673 0.056591 172 C 12 X 0.108386 1.276587 -0.514293 1.214075 0.111405 173 C 12 Y -0.185554 -0.646743 -0.161620 0.466793 -0.167275 174 C 12 Z -0.521383 -0.259251 0.177421 0.194737 0.184765 175 C 12 XX 0.030850 0.427414 -0.322118 0.072009 -0.031521 176 C 12 YY 0.183382 -0.118955 -0.013741 -0.186854 -0.087315 177 C 12 ZZ -0.214232 -0.308460 0.335859 0.114845 0.118836 178 C 12 XY 0.116370 -0.211518 -0.085843 -0.311236 -0.272636 179 C 12 XZ 0.171129 -0.063280 0.024883 -0.413469 -0.018357 180 C 12 YZ -0.003478 0.102611 0.006931 -0.181130 -0.109384 181 C 13 S -0.158349 0.119371 0.000310 0.083422 -0.034385 182 C 13 S -0.356863 0.255388 0.017120 0.202601 -0.086930 183 C 13 S 0.156314 -0.938705 0.080575 0.145647 -0.114508 184 C 13 X -0.190791 0.107192 0.057456 0.129344 -0.076169 185 C 13 Y -0.053812 -0.054888 0.029621 0.179349 0.262339 186 C 13 Z -0.116485 0.036124 0.025059 0.080565 -0.013388 187 C 13 X 0.309757 -0.812395 0.006274 -0.231018 0.088476 188 C 13 Y 0.450080 -0.030165 -0.615157 0.831196 0.794173 189 C 13 Z 0.374260 -0.339626 0.014520 0.451092 -0.003297 190 C 13 XX 0.190508 -0.174152 -0.059026 0.006348 -0.101154 191 C 13 YY -0.183040 0.018432 0.185612 0.449205 -0.076582 192 C 13 ZZ -0.007468 0.155719 -0.126587 -0.455552 0.177737 193 C 13 XY 0.243706 -0.100476 -0.137972 0.218027 0.378248 194 C 13 XZ -0.041074 0.011714 0.045830 0.014188 0.008636 195 C 13 YZ 0.055096 -0.081635 0.075791 0.227794 0.240583 196 C 14 S 0.177743 -0.130745 -0.163675 -0.113610 0.001900 197 C 14 S 0.363144 -0.224598 -0.300873 -0.221600 0.033119 198 C 14 S -1.491826 2.275808 0.437787 0.753083 -0.268340 199 C 14 X -0.034122 0.113231 0.118070 -0.032229 -0.168783 200 C 14 Y 0.092742 0.054079 -0.079790 -0.047526 0.117120 201 C 14 Z -0.030597 0.004677 0.026181 0.026275 -0.048142 202 C 14 X -1.230888 0.969908 1.383985 -0.136731 -0.756590 203 C 14 Y -0.421640 0.746276 0.414950 0.246115 -0.100256 204 C 14 Z 0.096369 -0.087871 -0.048714 -0.107157 -0.314119 205 C 14 XX -0.120990 0.139526 0.460121 -0.225042 0.055442 206 C 14 YY -0.025688 -0.030677 -0.071461 0.071586 0.191664 207 C 14 ZZ 0.146678 -0.108849 -0.388660 0.153456 -0.247106 208 C 14 XY -0.278294 0.334526 0.321681 -0.077494 -0.389795 209 C 14 XZ 0.045204 0.059884 -0.199958 -0.113007 0.100501 210 C 14 YZ -0.251668 0.141446 -0.023100 0.020277 -0.132589 211 F 15 S -0.027864 -0.034455 0.020592 0.010307 0.022095 212 F 15 S -0.037368 -0.067285 0.024793 0.007943 0.049548 213 F 15 S 0.346840 0.188860 -0.269745 -0.143980 -0.077025 214 F 15 X 0.023219 0.148208 -0.110371 0.077401 0.001031 215 F 15 Y -0.092316 -0.049426 0.030293 0.036739 0.006960 216 F 15 Z -0.184340 -0.072646 0.136736 0.127550 0.011748 217 F 15 X 0.039574 -0.279927 0.141956 -0.177763 -0.015741 218 F 15 Y 0.167216 0.063557 -0.045114 -0.040614 -0.008528 219 F 15 Z 0.074595 -0.010111 -0.004081 -0.031551 0.022879 220 F 15 XX -0.001991 0.009075 -0.005936 -0.015131 0.003163 221 F 15 YY 0.007554 -0.010663 0.007061 0.003842 -0.007634 222 F 15 ZZ -0.005563 0.001588 -0.001125 0.011289 0.004472 223 F 15 XY 0.005562 -0.003412 0.004977 -0.005271 0.003531 224 F 15 XZ -0.000839 0.009774 -0.016692 0.021957 -0.002067 225 F 15 YZ 0.008945 -0.016586 -0.004893 0.007036 0.000624 226 F 16 S -0.011250 -0.042088 0.007362 -0.006511 -0.002686 227 F 16 S -0.032814 -0.089583 0.012815 -0.019089 -0.013493 228 F 16 S -0.025413 0.196926 -0.064744 -0.028778 0.012747 229 F 16 X -0.028220 0.133735 -0.027986 0.030091 0.004144 230 F 16 Y -0.002028 -0.073763 0.031792 0.034002 0.031491 231 F 16 Z -0.087702 -0.037460 0.032318 0.018329 -0.044648 232 F 16 X 0.052420 -0.240398 0.052401 -0.160396 -0.019438 233 F 16 Y 0.082315 0.059045 -0.006443 -0.056885 0.044952 234 F 16 Z 0.151756 0.100516 -0.082109 -0.044600 0.068146 235 F 16 XX 0.003321 0.001440 -0.008261 0.004825 -0.002688 236 F 16 YY 0.000082 -0.007746 0.006727 -0.010964 0.016112 237 F 16 ZZ -0.003403 0.006306 0.001535 0.006139 -0.013424 238 F 16 XY 0.013909 0.015446 -0.006871 -0.019969 0.009855 239 F 16 XZ 0.011664 -0.009040 -0.007568 -0.009772 -0.011038 240 F 16 YZ -0.000817 -0.010466 0.006887 0.007655 0.001285 241 F 17 S 0.026223 -0.031194 -0.024236 0.004844 0.018954 242 F 17 S 0.075863 -0.083376 -0.039632 0.005399 0.053113 243 F 17 S 0.044737 -0.000112 0.221634 -0.092306 -0.033318 244 F 17 X -0.043691 0.068732 0.126230 0.039757 -0.067761 245 F 17 Y 0.010017 -0.012618 0.115120 -0.044866 0.063257 246 F 17 Z 0.110639 -0.083004 0.023363 -0.002438 0.032449 247 F 17 X 0.142531 -0.131211 -0.270293 -0.145570 0.164898 248 F 17 Y 0.116135 -0.094059 -0.074523 0.020036 -0.001586 249 F 17 Z -0.090601 0.081610 0.059461 -0.041255 -0.021104 250 F 17 XX -0.004068 0.003323 0.007278 0.000320 -0.007058 251 F 17 YY 0.007245 -0.000009 -0.019198 -0.003025 -0.014129 252 F 17 ZZ -0.003177 -0.003314 0.011920 0.002704 0.021187 253 F 17 XY 0.000975 -0.015011 0.005407 0.028962 0.001036 254 F 17 XZ 0.003008 -0.016910 -0.002923 0.014327 0.008531 255 F 17 YZ -0.001012 0.002528 0.002288 -0.006731 -0.001273 256 F 18 S 0.035035 -0.020843 -0.029448 0.005728 -0.023006 257 F 18 S 0.066082 -0.041075 -0.054372 -0.002043 -0.039845 258 F 18 S -0.215672 0.095426 0.227215 -0.142628 0.181990 259 F 18 X -0.144590 0.073128 0.161264 -0.030658 -0.025417 260 F 18 Y -0.052115 0.041998 0.121972 -0.039149 0.052942 261 F 18 Z 0.061791 -0.050584 -0.028565 0.089484 -0.083471 262 F 18 X 0.246792 -0.148086 -0.239112 0.006966 0.115356 263 F 18 Y 0.057983 -0.071166 -0.191045 -0.033442 -0.005742 264 F 18 Z 0.032979 0.012844 -0.061384 -0.028724 0.020272 265 F 18 XX 0.002163 -0.001368 -0.013361 -0.006907 -0.000956 266 F 18 YY -0.005424 0.000403 -0.003414 0.017354 -0.002084 267 F 18 ZZ 0.003261 0.000965 0.016775 -0.010447 0.003040 268 F 18 XY -0.009250 0.009549 -0.004478 -0.000425 -0.001608 269 F 18 XZ -0.012110 0.006085 0.032678 -0.007746 -0.002498 270 F 18 YZ -0.005065 0.004333 0.001064 -0.004186 0.013526 271 C 19 S 0.015311 -0.041433 0.037812 -0.021922 -0.023825 272 C 19 S 0.027996 -0.083689 0.077684 -0.048402 -0.020094 273 C 19 S -0.384056 0.294171 -0.327328 -0.301884 0.567618 274 C 19 X -0.033512 -0.033139 -0.038485 0.032009 -0.028068 275 C 19 Y 0.035444 0.064212 -0.018869 0.246565 0.105121 276 C 19 Z -0.101036 -0.012394 0.014833 0.024161 -0.004867 277 C 19 X -0.018854 -0.334760 -0.085889 -0.266612 -0.178465 278 C 19 Y 0.027854 -0.043313 -0.014630 0.352865 0.168088 279 C 19 Z -0.231738 -0.063798 0.163551 0.061441 -0.008040 280 C 19 XX 0.064882 0.163002 0.016382 0.143334 0.070779 281 C 19 YY -0.087344 -0.095586 -0.050194 0.009629 0.199407 282 C 19 ZZ 0.022462 -0.067416 0.033812 -0.152963 -0.270186 283 C 19 XY -0.079167 -0.121033 -0.054208 0.153822 0.369168 284 C 19 XZ -0.122521 -0.135772 0.059450 0.120381 0.023813 285 C 19 YZ 0.145099 0.009073 -0.066937 0.038456 0.082576 286 H 20 S -0.017601 -0.049731 0.018257 -0.011033 -0.008539 287 H 20 S 0.088231 0.213949 0.067225 0.288776 0.081735 288 H 20 X -0.027432 -0.048031 0.009217 -0.079200 -0.084885 289 H 20 Y 0.072763 0.030951 0.126118 -0.171320 -0.309363 290 H 20 Z 0.226980 0.130546 -0.105428 -0.101091 0.001451 291 H 21 S 0.037779 -0.026559 0.016661 0.014383 -0.021258 292 H 21 S -0.131630 -0.069190 0.089800 -0.140668 -0.147411 293 H 21 X 0.000372 0.085596 0.118598 0.019426 -0.168619 294 H 21 Y 0.171180 0.015213 0.061549 0.001533 -0.156755 295 H 21 Z 0.031460 -0.033244 0.002599 -0.178515 -0.219420 296 C 22 S 0.001305 0.011848 -0.005035 -0.024558 0.005168 297 C 22 S -0.010017 0.032599 -0.028512 -0.055198 -0.013782 298 C 22 S -0.455744 0.165457 -0.507843 -0.195011 -0.191781 299 C 22 X 0.041296 -0.028197 0.057380 0.094244 -0.101634 300 C 22 Y -0.034075 0.084338 -0.064869 -0.073724 0.087692 301 C 22 Z -0.083522 -0.097848 -0.042584 -0.090694 0.018825 302 C 22 X 0.023640 -0.061888 0.099609 0.173166 -0.268668 303 C 22 Y -0.057731 0.149556 0.006187 -0.045323 0.044239 304 C 22 Z -0.167561 -0.270246 0.020071 -0.152709 -0.007014 305 C 22 XX 0.050888 0.029939 0.078092 -0.022974 0.155060 306 C 22 YY -0.058936 -0.010735 -0.099642 0.074778 -0.401827 307 C 22 ZZ 0.008049 -0.019204 0.021550 -0.051804 0.246767 308 C 22 XY 0.091685 0.016541 0.168633 0.004470 0.301746 309 C 22 XZ 0.180416 0.202353 0.054982 0.125449 0.020704 310 C 22 YZ 0.029571 -0.005861 -0.007334 0.016283 -0.061364 311 H 23 S -0.023159 -0.004184 -0.019301 -0.009535 -0.011320 312 H 23 S 0.089776 0.013410 0.152650 0.088935 -0.074351 313 H 23 X 0.053884 0.070795 0.073740 -0.043134 0.250027 314 H 23 Y -0.018906 -0.052989 -0.039781 0.077537 -0.210649 315 H 23 Z 0.189116 0.217964 0.022844 0.141971 -0.020583 316 H 24 S 0.012780 -0.009590 0.007167 -0.007107 -0.002097 317 H 24 S 0.100949 0.173165 0.010496 0.028968 0.135378 318 H 24 X -0.069334 -0.136568 -0.024115 -0.085557 0.020371 319 H 24 Y -0.111555 -0.070291 -0.132876 0.025583 -0.246056 320 H 24 Z -0.004379 0.006801 -0.026598 0.057814 -0.179985 321 H 25 S 0.059798 0.002454 0.040901 -0.000535 -0.007982 322 H 25 S -0.124627 -0.141703 -0.029152 -0.158749 0.124645 323 H 25 X 0.126771 0.121793 0.038936 0.085003 0.032240 324 H 25 Y -0.065603 -0.050970 -0.152423 0.039721 -0.271459 325 H 25 Z 0.015668 0.009367 -0.017064 -0.068410 0.164988 326 C 26 S -0.046564 0.036640 -0.032498 0.040953 -0.026077 327 C 26 S -0.086564 0.056583 -0.068049 0.085286 -0.054206 328 C 26 S 0.843955 -0.274201 0.658803 0.141832 0.344412 329 C 26 X -0.061729 0.099590 -0.182964 0.036845 -0.003663 330 C 26 Y 0.005616 0.083273 0.036947 -0.104655 0.082197 331 C 26 Z 0.059621 -0.038718 0.044698 0.107984 0.015665 332 C 26 X -0.473653 0.200788 -0.119782 0.126989 0.058473 333 C 26 Y -0.202404 0.197748 -0.069996 -0.193165 0.114776 334 C 26 Z 0.335544 -0.290805 0.210591 0.149941 -0.026952 335 C 26 XX 0.060291 -0.090310 0.042358 0.010330 -0.001871 336 C 26 YY 0.000378 0.204194 0.074705 0.071418 0.077102 337 C 26 ZZ -0.060669 -0.113884 -0.117062 -0.081748 -0.075231 338 C 26 XY -0.096642 0.071156 -0.116399 -0.071751 0.023804 339 C 26 XZ -0.137332 0.086140 -0.156514 0.117817 -0.026912 340 C 26 YZ -0.070262 0.075232 -0.022324 -0.139589 0.034847 341 H 27 S -0.120472 -0.009665 0.002253 -0.022642 0.010474 342 H 27 S -0.284465 0.197078 -0.105710 0.014292 0.021212 343 H 27 X 0.027613 -0.001370 -0.080559 -0.009860 0.000113 344 H 27 Y -0.040536 0.197656 0.012349 0.032126 0.064033 345 H 27 Z -0.112505 0.066235 -0.015826 -0.074291 0.067108 346 H 28 S -0.043699 -0.011048 -0.027466 -0.028677 -0.040157 347 H 28 S 0.095773 -0.108235 0.009433 0.229369 -0.119152 348 H 28 X 0.194961 -0.100957 0.108795 0.110508 -0.048882 349 H 28 Y 0.033787 0.054135 0.037163 -0.105538 0.037141 350 H 28 Z 0.011760 0.041975 -0.048546 0.044996 -0.006754 351 H 29 S -0.016561 0.052964 -0.117349 0.016237 -0.067695 352 H 29 S 0.217044 -0.174071 0.120455 -0.160810 -0.007774 353 H 29 X -0.016115 0.054709 -0.137651 0.043177 -0.042346 354 H 29 Y 0.127243 -0.009126 0.130419 0.041599 0.000039 355 H 29 Z 0.069235 -0.005256 0.032873 -0.170286 0.033922 356 C 30 S 0.039608 0.031735 0.089066 0.018656 -0.025572 357 C 30 S 0.095233 0.073557 0.167274 0.029820 -0.062184 358 C 30 S 0.352827 -0.333819 -0.700778 0.155739 -0.093844 359 C 30 X -0.079540 0.088236 0.046912 0.048377 -0.030307 360 C 30 Y 0.136672 -0.029630 0.130566 0.129870 -0.020019 361 C 30 Z -0.155401 -0.029656 0.039486 -0.040949 0.105594 362 C 30 X -0.249589 0.471790 -0.094174 -0.080341 0.001446 363 C 30 Y 0.114373 -0.260908 -0.131369 0.246506 -0.107220 364 C 30 Z -0.201623 -0.149448 0.151778 -0.096739 0.197258 365 C 30 XX 0.057130 0.045919 0.105474 0.038134 -0.086757 366 C 30 YY -0.051660 0.007514 -0.088253 0.019395 0.022297 367 C 30 ZZ -0.005471 -0.053433 -0.017221 -0.057529 0.064460 368 C 30 XY -0.023037 -0.124990 0.109031 0.140253 0.027563 369 C 30 XZ 0.102257 -0.132409 -0.068083 -0.089252 0.011244 370 C 30 YZ -0.140786 0.060185 -0.051460 -0.168639 0.104329 371 H 31 S -0.046936 -0.009205 0.001785 0.011362 0.022705 372 H 31 S 0.172266 -0.074841 0.008085 0.166399 -0.136983 373 H 31 X -0.031137 -0.169066 0.100532 0.113396 0.012433 374 H 31 Y 0.152876 0.052753 0.105616 0.100339 -0.077354 375 H 31 Z -0.039483 0.185158 0.006947 -0.091939 -0.055345 376 H 32 S 0.005456 0.020724 0.044090 -0.019760 0.032460 377 H 32 S -0.252257 0.450202 0.038345 -0.070413 -0.011762 378 H 32 X -0.051871 0.072534 0.092215 0.035666 -0.070189 379 H 32 Y 0.104758 -0.048389 0.215925 0.038169 -0.005146 380 H 32 Z 0.141607 0.030688 0.013846 -0.000701 -0.128010 381 H 33 S 0.001457 0.014817 0.060451 -0.041441 -0.010478 382 H 33 S 0.107660 -0.105529 0.155695 -0.018552 0.065597 383 H 33 X -0.035666 -0.066691 0.042069 0.110615 0.002228 384 H 33 Y 0.032503 0.160551 0.138648 -0.046034 -0.020195 385 H 33 Z 0.038506 0.165078 0.016006 0.081453 -0.128023 386 H 34 S 0.013749 -0.049866 0.003966 0.017952 -0.015854 387 H 34 S 0.141754 -0.023464 -0.048546 -0.145876 -0.138290 388 H 34 X 0.163426 0.228102 0.017570 -0.094634 -0.139158 389 H 34 Y -0.009871 0.015014 0.098703 -0.080803 -0.203300 390 H 34 Z 0.011437 0.105849 -0.028065 0.121584 0.170908 391 F 35 S 0.000893 0.015128 -0.022277 -0.013522 -0.009464 392 F 35 S -0.010676 0.042856 -0.046565 -0.036311 -0.017499 393 F 35 S -0.087602 -0.032135 0.095682 -0.031867 0.085461 394 F 35 X -0.064171 0.030574 0.039556 -0.022353 0.018158 395 F 35 Y -0.007305 -0.008748 0.034720 0.024523 0.054335 396 F 35 Z 0.085254 -0.110452 -0.001815 0.046143 -0.007093 397 F 35 X -0.068376 0.085417 0.018454 0.045754 -0.005484 398 F 35 Y 0.021711 0.025853 -0.085699 -0.047101 -0.100321 399 F 35 Z -0.132574 0.186344 -0.012848 -0.051225 -0.026167 400 F 35 XX 0.001096 0.006868 -0.008107 -0.009172 0.003932 401 F 35 YY -0.000394 -0.014191 0.005463 0.016793 -0.004702 402 F 35 ZZ -0.000703 0.007323 0.002644 -0.007621 0.000770 403 F 35 XY -0.019302 -0.000860 0.025179 -0.014377 -0.007076 404 F 35 XZ -0.001358 0.008417 -0.000972 -0.020154 0.007473 405 F 35 YZ 0.005975 -0.008281 0.005917 0.002871 0.016675 406 F 36 S -0.016527 0.012212 -0.008312 -0.020792 0.003570 407 F 36 S -0.031839 0.013472 -0.010738 -0.013244 -0.000198 408 F 36 S 0.120213 -0.132352 0.095060 0.378499 -0.083579 409 F 36 X 0.042540 -0.054944 0.003419 -0.015400 0.026155 410 F 36 Y 0.069580 0.002402 -0.064536 0.023278 0.033790 411 F 36 Z 0.057246 -0.118450 0.057854 0.245145 -0.063710 412 F 36 X -0.119598 0.147012 0.005322 0.044023 -0.057202 413 F 36 Y -0.189656 -0.003460 0.195285 -0.106713 -0.044599 414 F 36 Z -0.063100 0.065634 0.006436 -0.053039 0.011457 415 F 36 XX 0.008266 -0.006076 -0.002243 -0.007235 -0.001443 416 F 36 YY -0.003656 0.000093 0.006210 0.007406 0.004936 417 F 36 ZZ -0.004609 0.005984 -0.003967 -0.000171 -0.003493 418 F 36 XY 0.017736 -0.000348 -0.019319 0.001871 0.001959 419 F 36 XZ 0.012413 -0.006434 -0.006662 0.001033 0.004337 420 F 36 YZ 0.009090 0.005089 -0.021337 -0.000959 -0.018244 421 C 37 S -0.035979 0.052799 0.126262 0.153081 0.157926 422 C 37 S -0.098353 0.113380 0.204223 0.294635 0.311656 423 C 37 S -0.673614 0.362660 -1.646287 -2.170212 -0.611749 424 C 37 X 0.080680 -0.191503 0.068528 0.077671 0.007480 425 C 37 Y 0.002442 -0.108421 -0.045605 -0.057043 -0.015241 426 C 37 Z -0.009926 -0.048761 -0.024870 -0.029780 -0.007900 427 C 37 X -0.012428 -0.185223 0.592933 0.539958 0.045787 428 C 37 Y -0.537769 -0.769536 0.094089 -2.275050 -0.112092 429 C 37 Z -0.221865 -0.164900 0.051222 -0.247695 -0.122240 430 C 37 XX 0.047202 0.174430 -0.019771 -0.058625 -0.076888 431 C 37 YY -0.207338 -0.287290 -0.232670 -0.121534 -0.053601 432 C 37 ZZ 0.160135 0.112860 0.252441 0.180159 0.130488 433 C 37 XY 0.056422 0.200323 0.022615 0.201146 0.145329 434 C 37 XZ -0.158817 0.009121 0.162087 0.088094 0.028983 435 C 37 YZ 0.090108 0.210713 -0.247861 -0.216533 0.044637 436 S 38 S 0.002797 -0.016401 -0.002013 -0.014558 -0.016078 437 S 38 S 0.014737 -0.114598 -0.018609 -0.099555 -0.111458 438 S 38 S -0.006872 -0.126908 -0.043861 -0.100949 -0.121249 439 S 38 S -0.128035 0.232907 -0.103285 0.828817 0.570679 440 S 38 X 0.014594 -0.012897 -0.011205 -0.005418 -0.028488 441 S 38 Y 0.025625 -0.000348 0.025603 -0.024137 -0.014754 442 S 38 Z 0.003340 0.003474 0.000761 0.003930 0.006368 443 S 38 X 0.050316 -0.052562 -0.046399 -0.012205 -0.102389 444 S 38 Y 0.110362 -0.027777 0.102415 -0.092023 -0.051348 445 S 38 Z 0.025243 0.010305 -0.008794 0.024448 0.026007 446 S 38 X 0.111475 -0.101100 -0.043836 0.193656 0.055727 447 S 38 Y 0.134402 -0.173015 0.049586 -0.118918 -0.118448 448 S 38 Z -0.011216 0.020241 0.061288 0.014990 0.031243 449 S 38 XX 0.072140 -0.064905 0.043055 -0.016941 0.008150 450 S 38 YY -0.120067 0.136296 -0.080071 0.071872 0.054510 451 S 38 ZZ 0.047926 -0.071391 0.037016 -0.054931 -0.062660 452 S 38 XY -0.043810 0.071753 0.025445 0.060124 0.153411 453 S 38 XZ 0.028030 -0.003163 0.003314 0.025723 0.018702 454 S 38 YZ -0.044651 0.001900 0.032802 -0.023116 -0.010896 455 S 38 XX 0.006988 -0.004547 0.002571 0.001553 0.006958 456 S 38 YY -0.010811 0.016099 -0.007195 0.005333 0.002884 457 S 38 ZZ 0.003823 -0.011552 0.004624 -0.006886 -0.009843 458 S 38 XY -0.005549 0.008655 0.001331 0.009142 0.024796 459 S 38 XZ 0.007264 -0.000889 0.000491 0.007062 0.004622 460 S 38 YZ -0.010365 0.000930 0.010219 -0.005402 -0.000956 461 H 39 S -0.001900 -0.072617 0.033576 -0.016804 0.125073 462 H 39 S 0.005846 0.063339 -0.149976 -0.310750 -0.084230 463 H 39 X 0.027204 -0.124349 0.034137 0.174227 0.050307 464 H 39 Y 0.082892 -0.030280 -0.024614 0.203068 -0.105045 465 H 39 Z 0.207798 0.077858 -0.140524 -0.050776 0.022257 341 342 343 344 345 2.2482 2.2491 2.2581 2.2716 2.2808 A A A A A 1 C 1 S 0.073186 0.187099 -0.071180 0.121113 -0.030695 2 C 1 S 0.124729 0.366791 -0.124977 0.211558 -0.081124 3 C 1 S -0.990345 -3.254416 0.996203 -1.978043 0.090951 4 C 1 X -0.017333 0.224073 -0.038969 0.018246 -0.029533 5 C 1 Y 0.009510 -0.191601 -0.040389 0.052977 0.109741 6 C 1 Z 0.000857 0.000647 -0.016238 0.033356 0.078011 7 C 1 X 0.706733 1.898531 -0.628417 1.149927 -0.137962 8 C 1 Y 0.417305 -0.280815 0.310717 -0.121226 0.177978 9 C 1 Z -0.013704 -0.203894 0.028284 -0.131818 -0.087109 10 C 1 XX 0.038630 0.048984 -0.053915 0.012989 -0.072022 11 C 1 YY -0.151460 -0.115013 0.119293 -0.184495 -0.056678 12 C 1 ZZ 0.112831 0.066029 -0.065378 0.171506 0.128700 13 C 1 XY 0.158881 0.002438 0.033353 0.062806 0.061626 14 C 1 XZ -0.001616 -0.012597 0.037656 -0.011487 -0.070260 15 C 1 YZ -0.027944 0.058846 0.035596 -0.139113 0.123463 16 C 2 S 0.035592 -0.276025 -0.016871 -0.150771 0.060813 17 C 2 S 0.058359 -0.525859 -0.049934 -0.314306 0.130223 18 C 2 S -0.797737 4.324562 -0.940985 1.006430 -0.014078 19 C 2 X -0.012364 0.022635 0.122422 0.097310 0.007545 20 C 2 Y -0.022508 0.056045 0.010471 -0.091605 -0.032357 21 C 2 Z 0.001610 0.000872 -0.005904 0.003167 -0.003511 22 C 2 X 0.861942 2.228118 -0.518195 1.606272 -0.069010 23 C 2 Y -1.147346 0.496267 0.209324 -0.364831 0.117183 24 C 2 Z -0.170143 -0.071098 0.084522 0.102143 0.112313 25 C 2 XX 0.075525 0.287185 -0.119381 0.126495 -0.054830 26 C 2 YY -0.120415 -0.106475 0.179188 -0.080952 0.055172 27 C 2 ZZ 0.044891 -0.180709 -0.059807 -0.045542 -0.000342 28 C 2 XY 0.034798 0.033076 0.088652 0.025817 -0.057390 29 C 2 XZ 0.001225 -0.137376 0.036564 -0.042265 -0.257371 30 C 2 YZ 0.003731 -0.124232 -0.095006 0.259751 -0.143034 31 C 3 S -0.023710 -0.043129 0.137450 0.043836 0.023296 32 C 3 S -0.032144 -0.096779 0.273567 0.081704 0.038037 33 C 3 S -0.630259 -0.511278 0.202609 0.050187 -0.907109 34 C 3 X 0.098228 -0.090816 -0.083842 -0.016638 -0.055779 35 C 3 Y 0.000435 -0.187477 0.156762 -0.027163 0.028131 36 C 3 Z 0.011533 -0.022416 0.044764 0.023570 0.051487 37 C 3 X 0.744404 -1.313226 -0.964123 -1.678501 -0.326031 38 C 3 Y -1.995703 1.590480 -0.350846 -1.319792 0.073654 39 C 3 Z 0.170695 0.014564 -0.181858 -0.606062 -0.082721 40 C 3 XX 0.032466 0.078863 -0.122368 -0.105273 0.037803 41 C 3 YY 0.014392 0.034801 0.033962 0.147542 -0.011378 42 C 3 ZZ -0.046858 -0.113664 0.088406 -0.042269 -0.026426 43 C 3 XY -0.089771 -0.040280 -0.082240 -0.266164 -0.133556 44 C 3 XZ -0.005340 -0.038925 -0.015533 -0.034672 0.222974 45 C 3 YZ 0.047442 -0.067443 -0.090958 0.164526 0.011867 46 C 4 S -0.162489 -0.093845 0.167768 -0.108534 -0.135555 47 C 4 S -0.342484 -0.169848 0.333412 -0.196634 -0.272281 48 C 4 S 1.109558 0.792930 -0.805450 1.723015 0.724015 49 C 4 X -0.089309 0.059802 -0.086999 -0.198752 -0.007226 50 C 4 Y -0.106573 0.056024 -0.150800 -0.056222 -0.020213 51 C 4 Z 0.032643 -0.004586 -0.018322 -0.097974 0.012912 52 C 4 X 0.132760 -0.537313 -0.053657 -0.216496 -0.118095 53 C 4 Y 0.230341 -0.202830 -0.490648 -0.611242 -0.190915 54 C 4 Z -0.538141 0.312965 0.591410 -0.519997 -0.607052 55 C 4 XX 0.125014 -0.004088 -0.043263 0.169269 0.039293 56 C 4 YY -0.099887 0.039544 -0.021449 0.099551 0.142472 57 C 4 ZZ -0.025127 -0.035455 0.064711 -0.268820 -0.181766 58 C 4 XY -0.179545 0.153953 0.078459 0.090807 -0.021496 59 C 4 XZ 0.033875 0.065127 0.050257 0.251651 0.120298 60 C 4 YZ -0.015113 -0.018060 0.204335 0.000623 0.176302 61 S 5 S 0.018798 -0.007732 -0.004809 0.005856 0.017188 62 S 5 S 0.129299 -0.050253 -0.035142 0.040825 0.120710 63 S 5 S 0.132482 -0.038181 -0.044799 0.044388 0.135522 64 S 5 S -0.744699 0.253183 0.070931 -0.387708 -0.496201 65 S 5 X 0.016015 -0.020496 0.002463 0.005213 0.010636 66 S 5 Y -0.009983 -0.014573 0.008507 -0.023272 -0.007201 67 S 5 Z -0.005581 -0.002452 -0.002182 -0.004223 -0.002530 68 S 5 X 0.069890 -0.102635 0.009293 0.010495 0.056568 69 S 5 Y -0.045951 -0.031559 0.037267 -0.090427 -0.041744 70 S 5 Z -0.023102 -0.014764 -0.006102 -0.009428 -0.011310 71 S 5 X 0.243277 -0.244651 0.002980 0.106795 0.231235 72 S 5 Y 0.049322 0.343581 0.140435 -0.035399 -0.137661 73 S 5 Z 0.021918 0.017736 -0.007238 0.043526 0.046246 74 S 5 XX 0.010631 0.106624 -0.009206 0.033776 -0.053309 75 S 5 YY -0.083075 -0.046458 0.027424 -0.040222 0.003566 76 S 5 ZZ 0.072444 -0.060166 -0.018218 0.006446 0.049743 77 S 5 XY 0.089620 0.006471 -0.094173 0.109337 0.059856 78 S 5 XZ 0.004660 0.024732 -0.000021 -0.007671 0.011841 79 S 5 YZ -0.017504 -0.008662 0.035280 -0.024503 0.028354 80 S 5 XX 0.006881 0.020656 -0.004260 0.008755 -0.009257 81 S 5 YY -0.016329 -0.013908 0.009949 -0.010869 0.001137 82 S 5 ZZ 0.009448 -0.006748 -0.005689 0.002114 0.008120 83 S 5 XY 0.013877 -0.003538 -0.010779 0.012496 0.008183 84 S 5 XZ -0.002269 0.007828 -0.000231 -0.003798 0.002287 85 S 5 YZ -0.001679 -0.002581 0.008326 -0.003675 0.008097 86 H 6 S 0.025531 0.027808 -0.049879 0.083590 0.017179 87 H 6 S -0.042869 0.417029 0.147765 0.222933 -0.007509 88 H 6 X -0.074831 0.036933 0.054919 -0.008533 -0.061716 89 H 6 Y 0.079385 0.099922 0.131006 0.114757 -0.046559 90 H 6 Z 0.038335 -0.123721 -0.051904 0.075391 -0.250929 91 C 7 S 0.047837 -0.022131 0.117574 -0.149804 -0.081327 92 C 7 S 0.149634 -0.057097 0.244014 -0.291585 -0.102551 93 C 7 S 1.268869 1.483664 -1.610737 0.246864 2.505744 94 C 7 X 0.120318 -0.100593 -0.065976 0.129438 0.009513 95 C 7 Y -0.225919 -0.014353 -0.086157 0.052516 -0.178319 96 C 7 Z -0.052532 0.066275 0.019529 0.044451 -0.042240 97 C 7 X -1.854505 -1.610401 0.960003 2.019467 -0.047177 98 C 7 Y 0.525002 -0.302270 0.798694 -0.489347 -0.720124 99 C 7 Z 0.337572 0.447703 -0.255006 -0.270688 -0.142690 100 C 7 XX 0.148867 -0.020539 0.105148 0.080197 0.247770 101 C 7 YY -0.019890 0.075923 -0.118159 -0.016263 -0.098857 102 C 7 ZZ -0.128978 -0.055385 0.013011 -0.063934 -0.148913 103 C 7 XY 0.073978 -0.157661 -0.017548 -0.226732 0.007361 104 C 7 XZ -0.051080 0.019005 -0.064114 0.046022 -0.155046 105 C 7 YZ 0.010615 -0.126846 -0.166506 0.000174 0.162948 106 C 8 S -0.018219 0.001933 0.035733 0.113175 0.073090 107 C 8 S -0.064969 0.012143 0.081133 0.241924 0.135523 108 C 8 S -0.697929 0.019002 -1.326901 -0.580864 -0.487724 109 C 8 X -0.066806 0.054475 0.059122 0.082018 -0.017959 110 C 8 Y 0.010002 0.067441 0.293692 0.004953 -0.133808 111 C 8 Z -0.087093 0.039581 0.032517 0.007142 0.025826 112 C 8 X -0.846796 -0.383513 -0.201816 0.203703 -0.239680 113 C 8 Y -0.149705 0.016349 1.099633 0.717375 -0.104712 114 C 8 Z -0.005382 -0.065930 0.034384 0.145612 -0.079333 115 C 8 XX 0.001007 0.041642 -0.005736 -0.004270 0.002760 116 C 8 YY -0.164626 -0.014728 0.053619 0.036585 -0.073626 117 C 8 ZZ 0.163619 -0.026914 -0.047883 -0.032314 0.070865 118 C 8 XY -0.081381 -0.032496 0.070690 0.005962 -0.068877 119 C 8 XZ 0.001860 -0.016971 -0.054041 0.148798 0.028613 120 C 8 YZ 0.154183 -0.039359 0.003447 0.082167 -0.047801 121 C 9 S -0.041882 -0.123110 -0.034252 0.085743 0.016452 122 C 9 S -0.079294 -0.251570 -0.063552 0.161647 0.023896 123 C 9 S 1.329946 0.922801 0.086251 -1.471840 -0.319928 124 C 9 X -0.061590 0.077237 -0.000912 0.191658 0.110072 125 C 9 Y -0.044708 -0.019868 -0.025318 0.030185 -0.048967 126 C 9 Z -0.031484 0.032454 -0.047754 0.004759 -0.100119 127 C 9 X 0.681753 -0.337352 -0.226076 0.498501 1.448286 128 C 9 Y 1.061893 0.772730 -1.545615 -0.708771 0.097241 129 C 9 Z 0.359946 -0.058708 0.522725 -1.164988 -0.159053 130 C 9 XX -0.198911 0.068941 -0.048763 -0.006622 -0.179883 131 C 9 YY 0.128174 0.068674 -0.117264 -0.050181 0.110019 132 C 9 ZZ 0.070737 -0.137615 0.166027 0.056804 0.069864 133 C 9 XY 0.163467 -0.174725 -0.019258 0.159267 0.289111 134 C 9 XZ 0.174080 0.036938 0.151541 0.158171 0.012710 135 C 9 YZ -0.057282 0.102982 -0.152764 -0.101550 0.071603 136 C 10 S -0.027943 0.138423 0.025125 0.026714 -0.164832 137 C 10 S -0.080226 0.282579 -0.007813 0.125218 -0.372337 138 C 10 S -1.388771 -0.030542 -0.807033 1.253485 -0.465650 139 C 10 X -0.148863 0.195568 -0.003707 0.000290 0.263480 140 C 10 Y -0.009305 -0.104019 -0.080854 -0.109755 -0.233765 141 C 10 Z 0.082118 -0.039037 -0.026160 0.036477 -0.014375 142 C 10 X 0.384975 -1.568027 2.398104 0.119084 -0.286930 143 C 10 Y -2.633990 -2.155534 0.712866 1.538333 -1.932220 144 C 10 Z -0.226628 0.349012 -0.440341 -0.158993 0.259242 145 C 10 XX -0.169096 -0.164410 -0.260476 0.037375 -0.254486 146 C 10 YY 0.060327 -0.043887 0.032952 0.193468 0.287398 147 C 10 ZZ 0.108769 0.208297 0.227524 -0.230843 -0.032912 148 C 10 XY -0.013039 -0.095115 -0.035000 0.044795 -0.078267 149 C 10 XZ 0.016215 -0.240811 -0.123831 -0.003956 0.191715 150 C 10 YZ 0.102471 0.033612 0.246290 -0.119132 -0.161412 151 C 11 S 0.062834 0.214017 0.088065 -0.107333 0.089232 152 C 11 S 0.096648 0.398715 0.162989 -0.220558 0.146936 153 C 11 S -2.151754 -3.165468 -0.906946 0.821969 -1.671092 154 C 11 X -0.116611 -0.078844 -0.067056 -0.057777 -0.205068 155 C 11 Y -0.021375 0.095811 -0.040733 -0.164230 -0.127625 156 C 11 Z 0.055744 0.022739 0.049240 -0.101573 0.088679 157 C 11 X 3.218697 -0.512718 -0.436532 -0.848407 0.515783 158 C 11 Y -0.574741 -1.585575 0.741592 1.178216 -1.324385 159 C 11 Z -0.077938 -0.220211 0.248840 0.397965 -0.244201 160 C 11 XX -0.004782 0.101084 -0.146525 0.199967 0.056471 161 C 11 YY 0.017396 -0.238309 0.093115 -0.283025 -0.177943 162 C 11 ZZ -0.012614 0.137225 0.053410 0.083058 0.121472 163 C 11 XY -0.162895 0.093092 0.150071 -0.011793 0.050926 164 C 11 XZ -0.083900 -0.055928 0.041771 0.005842 -0.037550 165 C 11 YZ -0.019036 0.018561 0.255996 -0.113689 -0.304158 166 C 12 S -0.237373 -0.035665 -0.177834 0.192301 -0.186825 167 C 12 S -0.418666 -0.072604 -0.353753 0.362953 -0.364318 168 C 12 S 2.981903 -0.691224 2.135967 -1.819658 0.964977 169 C 12 X 0.033843 0.016364 0.175122 0.003908 0.087725 170 C 12 Y -0.038813 0.044625 0.106529 -0.022474 0.078108 171 C 12 Z -0.042970 0.020344 0.061772 -0.027409 0.035057 172 C 12 X 0.754516 -0.094721 1.240572 -0.492422 1.339062 173 C 12 Y -0.670037 0.324661 -0.686336 0.743598 -0.194046 174 C 12 Z -0.183717 -0.284783 -0.131417 0.517608 -0.347556 175 C 12 XX 0.050552 0.055068 0.155777 -0.149979 0.473357 176 C 12 YY -0.183415 0.096112 -0.263662 -0.050556 -0.120886 177 C 12 ZZ 0.132864 -0.151180 0.107885 0.200535 -0.352472 178 C 12 XY 0.199174 0.131011 -0.241928 -0.077534 -0.201126 179 C 12 XZ -0.176687 -0.151526 -0.262918 0.023974 0.052542 180 C 12 YZ 0.085275 0.128296 -0.001094 -0.069600 0.009645 181 C 13 S 0.192414 -0.158821 0.047883 -0.091034 0.076506 182 C 13 S 0.390755 -0.306003 0.048398 -0.155557 0.132994 183 C 13 S -1.672661 1.413148 -2.037342 1.467521 -1.017867 184 C 13 X 0.117823 -0.011676 -0.126735 0.018889 -0.010285 185 C 13 Y -0.145379 -0.162984 0.290180 0.090832 0.054730 186 C 13 Z 0.031360 -0.011657 -0.050792 0.037922 0.001481 187 C 13 X -0.942961 0.766944 -0.749349 0.488936 -0.412503 188 C 13 Y -0.587969 -0.572983 0.975869 0.289730 0.822440 189 C 13 Z 0.017013 0.513845 0.060129 0.252581 -0.231084 190 C 13 XX 0.404759 -0.108762 0.048341 0.143934 -0.229338 191 C 13 YY 0.186732 0.275330 0.098551 -0.157220 0.031222 192 C 13 ZZ -0.591490 -0.166568 -0.146892 0.013286 0.198116 193 C 13 XY -0.225825 -0.243878 0.371154 0.064071 0.220787 194 C 13 XZ 0.009017 0.123145 0.062754 -0.089599 0.143245 195 C 13 YZ -0.109580 -0.102629 0.216550 0.099860 0.125353 196 C 14 S -0.269164 0.074811 -0.249178 0.095409 0.020108 197 C 14 S -0.531353 0.085179 -0.452493 0.179666 0.061734 198 C 14 S 3.256024 -1.771029 2.425749 -1.049788 0.926003 199 C 14 X 0.169824 0.076424 -0.073381 -0.081605 -0.003649 200 C 14 Y -0.105076 -0.125659 0.003304 0.022622 0.099088 201 C 14 Z 0.060630 0.031715 0.005639 -0.006656 -0.062800 202 C 14 X 1.244820 0.255020 -0.527946 -0.123341 -0.828522 203 C 14 Y 0.934806 -0.725043 1.552397 -0.636852 0.544478 204 C 14 Z 0.136022 0.282812 -0.398803 -0.342490 0.180230 205 C 14 XX -0.056688 -0.086720 -0.015074 0.082549 -0.120308 206 C 14 YY -0.264456 -0.122502 0.132601 0.078620 -0.050204 207 C 14 ZZ 0.321144 0.209222 -0.117527 -0.161169 0.170513 208 C 14 XY 0.308779 0.170205 -0.297161 -0.214018 -0.150010 209 C 14 XZ -0.245122 -0.119045 0.093394 0.079719 -0.173400 210 C 14 YZ -0.038776 -0.072195 -0.349891 0.276775 -0.359762 211 F 15 S -0.041336 -0.016478 -0.006578 0.020523 -0.086952 212 F 15 S -0.123886 -0.028096 -0.028480 0.034707 -0.178343 213 F 15 S -0.152275 0.173440 -0.103797 -0.154491 0.460434 214 F 15 X -0.034997 0.038695 0.030951 -0.079683 0.137389 215 F 15 Y -0.039947 -0.043340 -0.082917 0.094584 -0.080314 216 F 15 Z 0.178352 -0.054139 0.085081 0.072252 -0.100942 217 F 15 X -0.007098 0.009270 -0.084666 0.115234 -0.266744 218 F 15 Y 0.163449 0.053017 0.202602 -0.199009 0.113628 219 F 15 Z -0.061258 0.026314 0.031082 -0.027088 -0.082816 220 F 15 XX -0.007899 -0.016080 -0.016788 0.006171 0.016867 221 F 15 YY 0.015228 0.007157 0.006073 -0.008566 0.001094 222 F 15 ZZ -0.007330 0.008923 0.010715 0.002395 -0.017962 223 F 15 XY -0.000741 0.004703 -0.000152 0.006911 -0.015451 224 F 15 XZ 0.011307 0.019095 0.019530 -0.007258 0.004422 225 F 15 YZ 0.013267 -0.004646 0.006854 -0.001448 -0.010921 226 F 16 S -0.014968 -0.005207 -0.039000 0.048474 -0.025005 227 F 16 S -0.019410 -0.004356 -0.083331 0.108258 -0.051940 228 F 16 S 0.104964 0.036005 0.180246 -0.156093 0.105043 229 F 16 X 0.062989 0.015431 0.057932 -0.047950 0.073562 230 F 16 Y -0.081642 -0.040877 -0.047831 0.043044 -0.062471 231 F 16 Z 0.083157 0.015630 -0.011195 0.055665 -0.046488 232 F 16 X -0.131463 -0.036873 -0.114075 0.102911 -0.098045 233 F 16 Y 0.020574 -0.055109 0.058606 -0.049708 0.088629 234 F 16 Z -0.037844 -0.015200 0.110240 -0.139515 0.119476 235 F 16 XX 0.008099 0.005707 -0.000018 -0.011508 -0.011330 236 F 16 YY -0.010690 -0.026162 0.003217 0.017397 0.003955 237 F 16 ZZ 0.002590 0.020455 -0.003198 -0.005888 0.007375 238 F 16 XY -0.024417 -0.014553 0.005224 -0.000280 0.032182 239 F 16 XZ -0.002160 0.009265 -0.018032 -0.002459 -0.008368 240 F 16 YZ 0.016617 -0.004990 0.012956 -0.000816 -0.006788 241 F 17 S -0.046527 -0.000340 -0.022735 0.016805 -0.017315 242 F 17 S -0.111188 0.004891 -0.029259 0.021222 -0.021354 243 F 17 S 0.087355 0.061379 0.228649 -0.218814 0.212682 244 F 17 X 0.036441 0.011151 0.040451 -0.037571 -0.020830 245 F 17 Y 0.002754 -0.000384 0.167760 -0.089093 0.080231 246 F 17 Z 0.010776 0.041496 0.061955 -0.078398 0.093178 247 F 17 X -0.132153 -0.056981 -0.016060 0.027671 0.054631 248 F 17 Y -0.091296 0.079241 -0.178496 0.062716 0.006051 249 F 17 Z 0.035841 -0.036582 0.062505 0.020641 -0.023419 250 F 17 XX 0.001683 -0.003349 -0.001596 0.008231 0.000126 251 F 17 YY 0.020737 0.005268 -0.006572 -0.009032 0.003003 252 F 17 ZZ -0.022420 -0.001919 0.008168 0.000801 -0.003130 253 F 17 XY 0.016349 0.009758 0.001392 0.003644 0.020640 254 F 17 XZ -0.009522 -0.002620 0.005025 0.017184 0.003015 255 F 17 YZ -0.020477 -0.008226 -0.008931 0.009055 -0.011121 256 F 18 S -0.006987 -0.005317 -0.022759 -0.020142 0.021437 257 F 18 S -0.050313 -0.025946 -0.059324 -0.019676 0.022273 258 F 18 S -0.293114 -0.070054 0.012322 0.315003 -0.332857 259 F 18 X -0.022633 -0.019203 -0.055272 0.052006 -0.079823 260 F 18 Y -0.032338 -0.066418 0.135748 0.003165 -0.041956 261 F 18 Z 0.210597 0.101375 0.054783 -0.158959 0.140930 262 F 18 X -0.070019 -0.020020 0.081747 0.003333 0.116727 263 F 18 Y -0.151370 0.103164 -0.325124 0.100324 -0.023285 264 F 18 Z -0.049599 -0.044485 -0.034865 0.022854 0.038066 265 F 18 XX -0.009544 0.000277 0.004174 0.000692 -0.004452 266 F 18 YY 0.016236 -0.001938 0.000502 0.009431 -0.012827 267 F 18 ZZ -0.006691 0.001662 -0.004676 -0.010124 0.017279 268 F 18 XY -0.003481 -0.012526 -0.003279 -0.000530 -0.012402 269 F 18 XZ 0.010987 -0.002577 -0.013482 0.004243 0.000563 270 F 18 YZ -0.014286 0.002429 0.008371 -0.008201 0.001036 271 C 19 S 0.016417 -0.001903 -0.010135 -0.003236 0.013634 272 C 19 S 0.059141 -0.012018 -0.054084 -0.029168 0.047110 273 C 19 S 0.593761 0.018129 -0.504321 -0.494532 0.315245 274 C 19 X -0.029943 0.007006 0.048936 0.020195 -0.044584 275 C 19 Y -0.097604 -0.068701 -0.065153 0.012857 -0.037367 276 C 19 Z -0.046750 0.020385 0.018395 -0.073314 -0.015168 277 C 19 X 0.103303 -0.021591 0.173407 0.033238 -0.064202 278 C 19 Y -0.105902 -0.141932 -0.114750 0.032855 -0.061804 279 C 19 Z -0.200678 0.000245 0.121608 -0.182154 -0.008460 280 C 19 XX -0.052865 -0.013764 -0.036209 0.019879 -0.010566 281 C 19 YY 0.152002 -0.085163 -0.190436 -0.153430 0.063444 282 C 19 ZZ -0.099137 0.098928 0.226645 0.133551 -0.052878 283 C 19 XY 0.250032 -0.167408 -0.367795 -0.254466 0.117075 284 C 19 XZ -0.150348 0.029993 -0.079449 -0.085640 0.049224 285 C 19 YZ 0.102939 -0.028789 -0.121633 0.041667 0.037702 286 H 20 S 0.007563 -0.003191 -0.006073 0.000544 0.007141 287 H 20 S -0.146300 -0.014626 -0.082273 0.019607 -0.019460 288 H 20 X -0.008302 0.044243 0.066923 0.022256 -0.010247 289 H 20 Y -0.169317 0.139166 0.258479 0.180177 -0.046621 290 H 20 Z 0.196828 -0.036222 -0.001842 0.148784 -0.025307 291 H 21 S 0.002831 -0.003389 0.018232 -0.019818 -0.021491 292 H 21 S -0.088668 0.060080 0.167024 -0.049268 -0.017257 293 H 21 X -0.236613 0.131645 0.146198 0.088873 -0.017857 294 H 21 Y -0.081554 0.060267 0.071459 0.153030 -0.001339 295 H 21 Z -0.007444 0.093680 0.182866 0.085535 -0.046456 296 C 22 S 0.041379 -0.003881 -0.029851 0.047751 0.010016 297 C 22 S 0.097313 -0.025148 -0.061700 0.110954 0.042925 298 C 22 S 0.134581 -0.239236 0.242168 -0.078673 0.265201 299 C 22 X -0.115177 -0.205557 0.079478 -0.116681 0.039790 300 C 22 Y 0.122078 0.067716 -0.019997 0.108634 0.034536 301 C 22 Z 0.008780 0.045619 0.012368 -0.045090 0.057024 302 C 22 X -0.227677 -0.498019 0.205845 -0.307117 0.008590 303 C 22 Y -0.022495 -0.084635 0.216229 -0.227642 -0.008761 304 C 22 Z 0.014296 0.114024 0.019074 -0.109996 0.207783 305 C 22 XX 0.001052 0.132822 0.042409 -0.059095 -0.058934 306 C 22 YY -0.024279 -0.460136 0.027553 0.020955 0.217422 307 C 22 ZZ 0.023228 0.327314 -0.069961 0.038140 -0.158488 308 C 22 XY -0.082476 0.188328 0.101064 -0.160475 -0.150985 309 C 22 XZ -0.014388 -0.029081 0.003054 0.080401 -0.144151 310 C 22 YZ -0.005845 -0.070192 0.028190 0.016547 -0.067261 311 H 23 S 0.020035 -0.017427 -0.000116 0.013071 -0.008989 312 H 23 S -0.157003 -0.261811 0.157478 -0.249869 0.014155 313 H 23 X 0.035313 0.209670 0.018828 -0.026612 -0.112515 314 H 23 Y -0.070957 -0.284668 0.037119 -0.017022 0.133452 315 H 23 Z -0.015330 -0.094964 0.007059 0.092754 -0.186724 316 H 24 S 0.018992 -0.030191 -0.044414 0.038893 0.000776 317 H 24 S 0.059245 0.164969 -0.063272 0.146854 -0.151109 318 H 24 X 0.011092 0.104234 -0.058662 -0.005122 0.066843 319 H 24 Y 0.006759 -0.167898 -0.084336 0.086629 0.164532 320 H 24 Z -0.062149 -0.273568 0.090172 -0.078546 0.077916 321 H 25 S 0.006586 -0.013334 -0.026131 0.025875 0.020093 322 H 25 S 0.077804 0.250885 -0.054615 0.003855 0.038816 323 H 25 X 0.012843 0.055004 -0.083805 0.138504 -0.093751 324 H 25 Y -0.005000 -0.232215 -0.042609 0.069821 0.036872 325 H 25 Z 0.055632 0.246095 -0.074093 0.079094 -0.103451 326 C 26 S -0.005435 -0.092743 -0.039059 0.105409 0.028514 327 C 26 S -0.002854 -0.175567 -0.087588 0.181341 0.037615 328 C 26 S 0.260992 0.296857 0.214223 -1.123066 -0.292324 329 C 26 X -0.083571 0.075661 0.048442 0.103797 -0.084765 330 C 26 Y -0.011967 0.015528 0.023876 0.027371 0.067281 331 C 26 Z -0.032614 -0.021153 -0.056223 -0.008370 -0.014623 332 C 26 X -0.075231 0.011638 0.268519 0.213349 -0.076890 333 C 26 Y -0.104097 0.155994 -0.027615 -0.073754 0.283489 334 C 26 Z 0.035299 0.395628 -0.008017 -0.310440 0.007062 335 C 26 XX -0.134984 0.158296 -0.142870 -0.048748 0.168905 336 C 26 YY 0.125564 -0.061787 0.120918 0.177234 0.097392 337 C 26 ZZ 0.009420 -0.096509 0.021952 -0.128486 -0.266296 338 C 26 XY 0.044872 0.101097 0.103664 0.094467 0.067944 339 C 26 XZ -0.117803 0.024137 -0.004425 0.025584 -0.092972 340 C 26 YZ 0.092813 -0.011394 -0.041351 -0.060099 0.019275 341 H 27 S -0.042991 -0.081933 -0.034489 0.129319 0.025224 342 H 27 S -0.091661 0.177951 0.114238 0.117913 0.107658 343 H 27 X -0.148151 0.132299 -0.086713 -0.027058 0.083980 344 H 27 Y 0.054965 -0.026311 0.154199 0.203564 -0.026739 345 H 27 Z 0.043453 -0.116078 -0.010932 -0.037683 -0.109353 346 H 28 S -0.003149 -0.044799 0.013404 0.044016 -0.028034 347 H 28 S -0.016127 -0.024730 0.045107 0.082523 -0.134112 348 H 28 X -0.125415 -0.034016 -0.198614 -0.134357 -0.039020 349 H 28 Y 0.014046 -0.078632 0.021658 -0.076385 -0.038967 350 H 28 Z -0.061984 -0.202359 0.131442 -0.081126 -0.200087 351 H 29 S -0.022079 -0.029839 -0.006483 0.045151 -0.021788 352 H 29 S 0.089889 0.037244 -0.206487 -0.127137 0.178428 353 H 29 X 0.017078 -0.067695 0.052058 0.011571 -0.183641 354 H 29 Y 0.114242 -0.168163 0.041511 -0.012105 -0.091679 355 H 29 Z 0.171752 -0.176274 0.022788 -0.166567 -0.103196 356 C 30 S 0.042254 0.024444 0.028070 -0.131725 -0.039664 357 C 30 S 0.093550 0.032232 0.050513 -0.224244 -0.060316 358 C 30 S -0.027490 -0.505390 -0.216347 0.953739 0.487250 359 C 30 X -0.085986 0.047482 -0.040025 -0.198542 -0.038898 360 C 30 Y -0.006088 0.050502 -0.039731 0.042151 -0.060066 361 C 30 Z 0.018568 -0.013197 0.055441 -0.052605 -0.014813 362 C 30 X -0.036380 0.096925 -0.076163 -0.692529 -0.276730 363 C 30 Y -0.040491 0.039042 -0.341129 0.032180 -0.357515 364 C 30 Z -0.004367 0.022530 0.318332 -0.248814 -0.204202 365 C 30 XX -0.067488 0.126935 0.059856 -0.085932 0.129469 366 C 30 YY -0.028339 0.006128 -0.101953 -0.137825 -0.138182 367 C 30 ZZ 0.095827 -0.133064 0.042097 0.223756 0.008713 368 C 30 XY 0.022097 0.028188 0.013972 0.331289 0.189964 369 C 30 XZ 0.051886 -0.052833 0.064166 0.087334 -0.036589 370 C 30 YZ 0.045225 -0.118873 0.160896 -0.007556 0.065510 371 H 31 S 0.017013 0.039959 -0.007547 -0.034029 -0.050478 372 H 31 S -0.003240 0.063016 -0.323569 0.028299 -0.149395 373 H 31 X 0.036589 0.029184 0.002555 0.387241 0.227743 374 H 31 Y -0.042512 0.104617 -0.080990 0.008834 -0.020849 375 H 31 Z -0.038881 0.061171 0.017621 -0.129133 0.048727 376 H 32 S 0.003396 0.015680 -0.005551 -0.092986 -0.053473 377 H 32 S -0.004449 0.091214 0.085095 -0.512910 -0.054524 378 H 32 X -0.068388 0.109257 0.020438 -0.068334 0.145264 379 H 32 Y 0.041505 0.037183 0.143374 0.273607 0.265297 380 H 32 Z 0.005048 0.154995 -0.173186 0.036929 0.018979 381 H 33 S 0.013879 0.034220 0.066837 -0.011388 -0.017702 382 H 33 S 0.077235 -0.073182 0.127690 0.315796 0.268912 383 H 33 X 0.006751 -0.018618 -0.070715 0.027929 -0.083060 384 H 33 Y -0.026756 0.050872 0.072518 -0.188207 0.069995 385 H 33 Z -0.081414 0.174760 -0.251009 -0.138745 -0.007240 386 H 34 S -0.000020 -0.010752 -0.015824 0.014131 -0.013017 387 H 34 S 0.082755 0.057009 0.055567 0.146953 -0.004912 388 H 34 X -0.021684 0.061415 0.164348 0.186477 -0.062072 389 H 34 Y -0.115126 0.067812 0.187871 0.026186 -0.056600 390 H 34 Z 0.053524 -0.061140 -0.140657 -0.062357 0.025227 391 F 35 S 0.011391 -0.038488 -0.001156 0.008616 -0.002827 392 F 35 S 0.006509 -0.076781 -0.003822 0.006938 0.011981 393 F 35 S -0.223860 0.205403 0.003374 -0.141988 0.162684 394 F 35 X -0.124568 0.122376 -0.015522 -0.066855 0.102860 395 F 35 Y -0.052838 -0.044085 0.034017 0.036631 -0.009504 396 F 35 Z 0.072237 0.028098 0.022579 0.048322 -0.074477 397 F 35 X 0.092742 -0.095154 0.053765 -0.054260 0.033496 398 F 35 Y 0.083484 0.109283 -0.051609 -0.127752 0.064659 399 F 35 Z 0.045619 -0.127541 -0.010074 -0.058847 0.093204 400 F 35 XX -0.016823 -0.008979 -0.004341 0.001350 0.002070 401 F 35 YY 0.011549 0.009509 0.000596 0.000254 -0.010833 402 F 35 ZZ 0.005274 -0.000530 0.003745 -0.001604 0.008764 403 F 35 XY 0.002868 0.000263 -0.020025 0.019463 -0.030919 404 F 35 XZ -0.040513 -0.000146 -0.014743 0.002978 -0.000540 405 F 35 YZ -0.012310 -0.007564 0.006726 0.003456 -0.000596 406 F 36 S -0.006594 -0.056715 -0.010270 -0.012435 0.011673 407 F 36 S 0.032057 -0.121775 -0.001440 -0.033570 0.016687 408 F 36 S 0.462129 0.248645 0.277825 -0.036223 -0.104568 409 F 36 X -0.066398 0.081268 0.000373 -0.005885 0.002466 410 F 36 Y -0.069533 -0.003403 0.030273 -0.000993 0.084265 411 F 36 Z 0.318138 0.066480 0.141806 -0.027856 -0.069568 412 F 36 X 0.198182 -0.175277 0.043486 -0.039078 0.049016 413 F 36 Y 0.081909 -0.024205 -0.096152 0.037579 -0.192704 414 F 36 Z -0.050101 -0.014278 -0.028359 0.008250 0.007550 415 F 36 XX 0.001317 0.000909 -0.004620 0.010862 -0.009984 416 F 36 YY -0.006065 0.007804 0.006374 -0.003145 0.005214 417 F 36 ZZ 0.004749 -0.008712 -0.001754 -0.007718 0.004770 418 F 36 XY -0.002774 0.006573 0.001631 -0.008547 0.019817 419 F 36 XZ -0.013743 -0.004151 -0.006319 0.011513 -0.015922 420 F 36 YZ 0.009778 0.018590 -0.005726 -0.015320 -0.000409 421 C 37 S 0.020127 -0.016583 -0.185294 -0.004607 0.099739 422 C 37 S 0.037695 -0.029377 -0.337370 -0.028358 0.169106 423 C 37 S -0.642331 -0.097356 2.444635 0.811605 -0.943359 424 C 37 X 0.043258 -0.058672 -0.078613 -0.033681 0.071135 425 C 37 Y 0.067733 -0.002042 0.033094 -0.020000 0.022272 426 C 37 Z 0.029392 -0.022127 -0.028507 0.023909 0.013431 427 C 37 X 0.545442 0.296675 -0.925812 -0.380486 0.298322 428 C 37 Y 1.094656 0.139112 0.722452 0.259480 0.665078 429 C 37 Z 0.152224 0.266709 -0.026709 0.076932 0.249838 430 C 37 XX -0.052488 0.048604 0.009498 0.042739 -0.005831 431 C 37 YY 0.055974 0.048103 0.139143 -0.144682 -0.104397 432 C 37 ZZ -0.003486 -0.096707 -0.148641 0.101943 0.110228 433 C 37 XY -0.014786 -0.065113 -0.147310 -0.004704 0.030291 434 C 37 XZ -0.238440 -0.003292 0.193619 -0.257011 -0.034218 435 C 37 YZ 0.269675 -0.087725 0.135949 -0.126242 -0.165586 436 S 38 S 0.009571 0.009201 0.002717 -0.005869 -0.012130 437 S 38 S 0.064532 0.063602 0.022955 -0.040244 -0.087252 438 S 38 S 0.062965 0.068314 0.042659 -0.042360 -0.107401 439 S 38 S -0.768783 -0.309459 -0.194303 0.335383 0.211263 440 S 38 X 0.008812 0.012611 0.003685 -0.006642 -0.002023 441 S 38 Y 0.021040 0.004339 -0.002845 -0.001758 0.007616 442 S 38 Z -0.003116 -0.002858 0.002082 0.004245 -0.001441 443 S 38 X 0.033112 0.054971 0.008916 -0.028461 -0.016867 444 S 38 Y 0.074748 0.015046 -0.026037 -0.015069 0.012896 445 S 38 Z -0.010983 -0.007610 0.011509 0.024173 -0.009189 446 S 38 X -0.104569 -0.102277 -0.113851 -0.073371 -0.064203 447 S 38 Y 0.215415 0.003400 -0.083994 -0.195718 -0.117443 448 S 38 Z -0.015248 -0.023301 0.026106 0.009267 0.028995 449 S 38 XX -0.025393 -0.043077 -0.023718 0.012598 -0.004264 450 S 38 YY -0.000047 0.012933 0.036018 0.004145 0.034885 451 S 38 ZZ 0.025440 0.030145 -0.012300 -0.016742 -0.030621 452 S 38 XY -0.041739 -0.118693 -0.016760 0.009770 0.044189 453 S 38 XZ -0.007187 -0.003154 -0.029974 0.029761 0.015107 454 S 38 YZ 0.004688 -0.005230 -0.048605 -0.028507 0.023326 455 S 38 XX -0.003766 -0.007585 -0.006088 -0.000674 -0.000587 456 S 38 YY 0.002722 0.004441 0.002758 0.001496 0.007264 457 S 38 ZZ 0.001045 0.003145 0.003330 -0.000822 -0.006677 458 S 38 XY -0.003372 -0.022723 -0.006262 -0.003063 0.010119 459 S 38 XZ -0.002016 -0.000175 -0.008093 0.007985 0.004175 460 S 38 YZ -0.000568 -0.002410 -0.010779 -0.006837 0.005858 461 H 39 S 0.035138 -0.067935 -0.000558 0.017816 0.066901 462 H 39 S -0.095598 -0.022723 0.257122 0.132132 -0.035518 463 H 39 X -0.010605 -0.073526 -0.070140 -0.082287 0.014983 464 H 39 Y -0.169955 0.010669 0.041936 -0.068752 -0.129708 465 H 39 Z 0.193340 -0.094960 -0.105636 0.182218 -0.042874 346 347 348 349 350 2.2963 2.3059 2.3320 2.3470 2.3657 A A A A A 1 C 1 S 0.039597 0.082218 0.088168 -0.083381 -0.030116 2 C 1 S 0.098712 0.152816 0.186032 -0.177443 -0.087657 3 C 1 S -0.339745 -0.810909 0.156973 -0.638324 -1.442190 4 C 1 X 0.004809 -0.016501 -0.203466 0.260418 0.255700 5 C 1 Y -0.092072 -0.003742 0.054562 -0.096532 -0.030337 6 C 1 Z 0.027831 -0.017561 -0.015453 -0.004947 -0.062693 7 C 1 X 0.528166 0.777350 -0.187273 0.176907 0.869776 8 C 1 Y -0.476538 -0.159790 -0.264896 0.138842 -0.426385 9 C 1 Z -0.133464 -0.098065 -0.099565 0.044186 -0.110369 10 C 1 XX 0.104531 0.048108 0.230238 -0.238797 -0.136026 11 C 1 YY 0.002991 -0.091760 -0.155793 0.192421 0.038628 12 C 1 ZZ -0.107522 0.043653 -0.074445 0.046376 0.097398 13 C 1 XY -0.075093 0.030288 0.019260 -0.027646 -0.115203 14 C 1 XZ -0.058566 0.030086 0.073432 0.002768 0.096510 15 C 1 YZ 0.105343 -0.036182 0.091586 0.005925 0.109035 16 C 2 S -0.016866 -0.005232 0.050944 -0.119413 -0.212790 17 C 2 S -0.047456 -0.029831 0.045800 -0.201336 -0.340726 18 C 2 S 0.700372 -0.319604 -2.204910 0.995618 4.831036 19 C 2 X -0.073983 -0.007504 -0.092142 0.206503 0.061818 20 C 2 Y 0.064588 -0.086186 -0.035899 -0.090670 0.126073 21 C 2 Z 0.005785 -0.006848 -0.021228 -0.018669 -0.033942 22 C 2 X 0.630897 0.781580 -0.022238 0.769781 0.634457 23 C 2 Y 0.116127 -0.654697 -0.625824 0.459358 1.778823 24 C 2 Z -0.119858 -0.069043 0.016496 0.002741 -0.007866 25 C 2 XX -0.022982 0.050758 -0.177848 0.231255 0.290458 26 C 2 YY -0.066764 -0.087047 0.028226 -0.008826 0.109004 27 C 2 ZZ 0.089746 0.036289 0.149622 -0.222430 -0.399462 28 C 2 XY 0.085540 0.007541 0.070694 -0.071113 -0.252997 29 C 2 XZ -0.104210 0.071710 0.126086 -0.102524 0.066685 30 C 2 YZ -0.220669 0.001355 -0.301767 0.033051 -0.193232 31 C 3 S -0.021490 0.042816 0.178407 -0.010356 0.014272 32 C 3 S -0.069193 0.075969 0.290276 -0.002811 -0.015385 33 C 3 S -1.471163 -1.343355 -3.251029 0.951979 -1.164291 34 C 3 X 0.147921 -0.009224 -0.013831 0.054730 -0.067247 35 C 3 Y -0.211227 -0.042940 -0.073656 0.094471 -0.003344 36 C 3 Z -0.000349 0.014729 0.027360 -0.046772 0.004047 37 C 3 X -0.667903 0.095282 0.231642 -1.893023 -0.375076 38 C 3 Y -0.009738 -1.825789 -3.119351 -0.128078 3.696983 39 C 3 Z 0.301106 -0.083445 -0.368654 0.015192 0.270700 40 C 3 XX -0.117305 -0.081965 -0.179992 0.044546 -0.015519 41 C 3 YY 0.010274 0.086502 0.113084 0.013978 -0.144931 42 C 3 ZZ 0.107031 -0.004538 0.066908 -0.058524 0.160450 43 C 3 XY 0.073100 -0.099232 -0.211452 0.040034 0.158303 44 C 3 XZ 0.173260 -0.127715 -0.192854 0.195950 -0.117154 45 C 3 YZ -0.075102 -0.029657 -0.387194 0.064226 -0.358755 46 C 4 S -0.091006 -0.037429 0.094991 -0.088632 0.093674 47 C 4 S -0.183368 -0.015286 0.206061 -0.155850 0.157019 48 C 4 S 1.238645 1.178461 0.242787 1.709142 -1.351351 49 C 4 X -0.005051 -0.147144 -0.170939 0.093291 0.035794 50 C 4 Y 0.082155 0.153424 -0.104748 -0.057389 -0.048998 51 C 4 Z -0.012737 0.097321 0.013825 0.013624 -0.010503 52 C 4 X -0.230600 -0.315081 -1.132347 -0.379430 0.503327 53 C 4 Y -1.064371 -0.890406 -1.471325 1.019160 -0.249707 54 C 4 Z -0.878241 -0.600115 0.019853 -0.271053 -0.276957 55 C 4 XX 0.131632 0.074975 0.365500 -0.395508 0.094275 56 C 4 YY -0.244156 -0.199534 -0.203914 0.169534 0.189579 57 C 4 ZZ 0.112523 0.124559 -0.161586 0.225974 -0.283855 58 C 4 XY 0.070793 0.083389 0.315310 0.052837 0.022086 59 C 4 XZ 0.050228 -0.011866 0.034505 0.032759 -0.233189 60 C 4 YZ -0.056560 -0.003535 0.080056 -0.026361 -0.046749 61 S 5 S -0.014398 0.009760 -0.019961 -0.007877 0.025752 62 S 5 S -0.106416 0.067649 -0.141700 -0.052756 0.188958 63 S 5 S -0.143004 0.072299 -0.167289 -0.044120 0.249352 64 S 5 S -0.024421 -0.509377 0.499512 0.332250 -0.406160 65 S 5 X 0.023902 0.016400 0.005718 -0.013092 -0.017711 66 S 5 Y -0.021175 -0.013810 0.006248 0.006655 -0.010295 67 S 5 Z -0.007049 -0.004059 0.000424 0.008926 0.002775 68 S 5 X 0.071210 0.058551 0.000097 -0.056464 -0.051514 69 S 5 Y -0.067615 -0.051274 0.035669 0.036124 -0.059258 70 S 5 Z -0.020859 -0.010846 -0.007744 0.041424 0.001071 71 S 5 X 0.001023 0.171259 -0.131066 -0.165228 0.107233 72 S 5 Y 0.089682 0.029581 0.112648 0.092009 -0.159860 73 S 5 Z 0.067985 0.025141 -0.031442 0.035404 -0.057226 74 S 5 XX -0.010710 -0.007205 0.019092 0.008620 -0.004643 75 S 5 YY -0.008635 -0.041072 0.045180 0.020192 -0.010032 76 S 5 ZZ 0.019346 0.048277 -0.064273 -0.028812 0.014674 77 S 5 XY 0.048812 0.076681 -0.018001 -0.087288 0.098377 78 S 5 XZ -0.018226 -0.015929 0.039737 -0.044734 0.036565 79 S 5 YZ 0.019476 0.010027 0.016625 0.025301 0.014556 80 S 5 XX 0.002702 0.002241 0.010239 -0.004666 0.000423 81 S 5 YY -0.006618 -0.012407 0.002573 0.008959 -0.007103 82 S 5 ZZ 0.003916 0.010165 -0.012812 -0.004293 0.006681 83 S 5 XY 0.005204 0.012572 -0.002147 -0.013544 0.014264 84 S 5 XZ -0.006543 -0.005007 0.010693 -0.007045 0.009738 85 S 5 YZ 0.005232 0.002718 0.002526 0.003501 0.005087 86 H 6 S 0.060077 0.033482 0.072788 0.046012 -0.009913 87 H 6 S 0.142813 0.025140 -0.008713 0.274607 0.321801 88 H 6 X 0.001346 -0.063242 -0.028112 0.034214 0.109098 89 H 6 Y 0.046706 0.036286 0.078934 -0.017428 -0.089481 90 H 6 Z -0.132597 0.053953 -0.082959 -0.040107 -0.038313 91 C 7 S -0.017155 0.015839 -0.124069 0.230645 -0.167160 92 C 7 S -0.050161 0.029530 -0.275454 0.426831 -0.295613 93 C 7 S 0.511024 -1.224795 -0.668381 -2.565437 2.594041 94 C 7 X 0.018898 0.085201 -0.051316 -0.049863 0.129934 95 C 7 Y 0.083988 -0.021213 0.131933 -0.044289 -0.051824 96 C 7 Z -0.055128 -0.118812 0.004097 -0.029305 -0.055575 97 C 7 X -1.936820 1.103280 -1.923028 -0.404092 -0.546300 98 C 7 Y -0.180619 0.824846 0.722269 1.830170 -0.733307 99 C 7 Z 0.236862 -0.430229 0.396610 0.467459 -0.070764 100 C 7 XX -0.078670 -0.057915 0.008416 -0.090700 0.111670 101 C 7 YY -0.005300 -0.037310 0.129705 0.102655 0.029915 102 C 7 ZZ 0.083970 0.095225 -0.138121 -0.011956 -0.141585 103 C 7 XY 0.048910 -0.197779 0.171734 0.134096 -0.158523 104 C 7 XZ 0.219718 -0.147530 0.127863 0.128384 0.144511 105 C 7 YZ 0.208240 0.231279 -0.003095 0.038038 0.094115 106 C 8 S -0.088557 0.109663 -0.073186 -0.082459 -0.016172 107 C 8 S -0.128370 0.219148 -0.140410 -0.135357 0.016589 108 C 8 S 2.027955 -0.284361 2.203798 1.344112 1.027568 109 C 8 X 0.094523 0.055445 -0.023492 0.045685 0.121812 110 C 8 Y 0.058834 -0.091288 -0.164389 0.032738 -0.291443 111 C 8 Z -0.000608 0.041384 -0.007331 0.002996 -0.031281 112 C 8 X 0.360609 0.087638 0.229800 0.075300 0.025119 113 C 8 Y -0.435514 0.533993 -1.480898 -0.358614 -0.731583 114 C 8 Z 0.087515 -0.098433 -0.204105 0.032272 -0.088304 115 C 8 XX 0.025871 -0.021428 0.018532 0.025659 -0.053740 116 C 8 YY 0.185242 0.012580 -0.050544 0.118761 0.348679 117 C 8 ZZ -0.211113 0.008848 0.032012 -0.144420 -0.294940 118 C 8 XY 0.153063 0.003783 0.033878 0.059314 -0.391705 119 C 8 XZ 0.048223 -0.167744 -0.052907 0.078691 0.017604 120 C 8 YZ 0.050849 -0.113959 -0.028354 0.055061 0.070310 121 C 9 S -0.066089 0.021732 -0.330197 0.026828 0.110376 122 C 9 S -0.075228 0.044614 -0.595213 0.057216 0.204389 123 C 9 S 1.904565 0.273249 3.754778 0.127925 -0.247081 124 C 9 X 0.004836 0.021299 -0.032937 -0.019229 0.064641 125 C 9 Y -0.120482 -0.108897 -0.138539 0.212201 -0.039348 126 C 9 Z 0.023862 -0.067975 0.069702 -0.004460 -0.003969 127 C 9 X -0.553455 0.886260 -1.501805 -0.898983 1.142019 128 C 9 Y 1.896038 0.465326 0.385264 0.877259 0.344825 129 C 9 Z 0.443015 0.832235 0.566437 -0.549332 -0.362097 130 C 9 XX 0.065672 -0.033906 -0.087567 0.169193 -0.168388 131 C 9 YY -0.212328 -0.088343 0.046799 -0.137635 0.169948 132 C 9 ZZ 0.146656 0.122249 0.040768 -0.031558 -0.001560 133 C 9 XY -0.037968 0.275878 -0.325471 -0.070812 0.160893 134 C 9 XZ -0.113288 0.032711 0.023007 -0.226976 0.093020 135 C 9 YZ -0.168843 0.242779 -0.021248 0.048062 -0.104460 136 C 10 S -0.030883 -0.054714 0.046221 0.289086 -0.057733 137 C 10 S -0.073677 -0.079155 0.089963 0.521726 -0.087095 138 C 10 S -1.211478 1.172034 -1.304098 -2.973850 1.178959 139 C 10 X 0.267864 0.071102 -0.114858 0.021296 0.109268 140 C 10 Y 0.104319 0.006911 -0.005648 -0.040359 -0.157315 141 C 10 Z 0.013874 -0.062652 -0.014918 0.037484 -0.018059 142 C 10 X -1.006710 1.906911 0.200800 2.570732 -0.178480 143 C 10 Y -1.796607 -0.350343 -0.820851 0.614850 -2.874929 144 C 10 Z 0.240093 -0.291516 -0.144700 -0.548725 0.060430 145 C 10 XX 0.074171 -0.042941 0.061039 -0.177227 -0.185758 146 C 10 YY 0.025714 0.163991 -0.040853 -0.179732 0.362925 147 C 10 ZZ -0.099885 -0.121050 -0.020186 0.356959 -0.177168 148 C 10 XY 0.123322 0.167407 0.139385 0.239621 -0.009014 149 C 10 XZ 0.328366 0.258304 0.089698 0.222805 0.112869 150 C 10 YZ 0.088377 -0.036410 0.174870 -0.090943 0.319632 151 C 11 S 0.045262 -0.003510 -0.011063 0.218625 0.233425 152 C 11 S 0.110067 0.006624 -0.016372 0.407103 0.400778 153 C 11 S -1.155723 0.217013 0.985768 -3.058288 -4.535318 154 C 11 X 0.042319 -0.205101 0.069178 0.025157 0.170854 155 C 11 Y -0.052471 -0.178795 0.034334 0.118123 -0.152978 156 C 11 Z 0.111234 -0.016694 -0.004350 0.003649 0.055979 157 C 11 X 1.090028 1.402670 2.542923 0.304472 -0.939799 158 C 11 Y -0.449843 -0.172245 -0.069042 2.375166 -2.503938 159 C 11 Z -0.383743 0.031735 0.239958 0.033891 -0.169175 160 C 11 XX 0.099568 0.175530 0.054536 -0.238715 0.003948 161 C 11 YY 0.014337 -0.187189 -0.104702 0.034760 -0.296360 162 C 11 ZZ -0.113904 0.011658 0.050166 0.203955 0.292412 163 C 11 XY -0.136026 -0.043319 -0.281036 -0.061178 -0.097736 164 C 11 XZ 0.069361 -0.111993 0.193964 0.110834 0.097551 165 C 11 YZ -0.055345 -0.022091 0.269558 -0.169290 0.256803 166 C 12 S -0.091489 -0.109457 -0.060871 -0.245660 -0.036293 167 C 12 S -0.160649 -0.186729 -0.088390 -0.408000 -0.060974 168 C 12 S 0.896030 1.757452 1.579749 4.652365 0.228572 169 C 12 X -0.031461 0.033863 0.016025 0.090611 0.019240 170 C 12 Y -0.015211 -0.044749 -0.040180 -0.121592 -0.033498 171 C 12 Z -0.020999 0.000530 -0.066241 -0.060221 0.003884 172 C 12 X 0.513152 0.994559 -0.153992 1.150969 0.835040 173 C 12 Y -0.163376 0.008154 -0.939336 -1.671333 0.787211 174 C 12 Z -0.142319 -0.218694 -0.071303 -0.580739 -0.030045 175 C 12 XX 0.214156 0.144427 0.148296 0.261372 0.089030 176 C 12 YY 0.020595 0.105389 -0.227962 -0.098187 -0.006515 177 C 12 ZZ -0.234750 -0.249816 0.079666 -0.163185 -0.082516 178 C 12 XY -0.040004 -0.130800 0.318849 0.164620 -0.196966 179 C 12 XZ 0.097135 0.208379 0.112639 0.157297 -0.035094 180 C 12 YZ -0.126486 -0.350920 0.167676 -0.019449 -0.205848 181 C 13 S 0.230626 0.088120 0.073855 0.236856 0.062813 182 C 13 S 0.473707 0.195432 0.099266 0.418780 0.147011 183 C 13 S -0.950417 -0.414691 -2.056150 -3.413663 0.281464 184 C 13 X 0.146451 0.057399 -0.124657 -0.080223 0.082822 185 C 13 Y -0.060619 0.066192 -0.001169 0.013466 0.105493 186 C 13 Z 0.066726 0.016362 -0.041463 -0.097747 0.033288 187 C 13 X -0.672801 -0.698924 -0.801996 -2.103480 -0.363278 188 C 13 Y -0.047279 0.217667 0.062344 -0.249674 0.352246 189 C 13 Z -0.634152 0.050856 -0.673304 -0.437549 0.111952 190 C 13 XX -0.193607 0.424898 0.294539 0.571807 -0.004160 191 C 13 YY 0.019527 -0.167235 -0.522677 -0.385401 0.012616 192 C 13 ZZ 0.174079 -0.257663 0.228139 -0.186406 -0.008456 193 C 13 XY -0.006291 0.212793 0.027971 0.107461 0.081793 194 C 13 XZ 0.036474 -0.235081 0.028465 -0.254890 -0.072578 195 C 13 YZ -0.063255 0.036749 -0.092902 -0.054077 0.082829 196 C 14 S 0.043377 -0.036369 -0.070904 -0.317508 0.006718 197 C 14 S 0.099519 -0.045335 -0.105526 -0.553478 0.035347 198 C 14 S 0.919493 1.389585 2.338252 4.179136 -0.028033 199 C 14 X 0.021608 -0.093117 0.063873 -0.001289 -0.011164 200 C 14 Y 0.101154 0.110503 0.056726 0.112358 0.102301 201 C 14 Z -0.035642 -0.030245 -0.019787 -0.012253 -0.007293 202 C 14 X 0.131294 0.064828 0.033605 1.115813 0.091649 203 C 14 Y 0.053278 0.281780 1.299168 1.423429 0.214291 204 C 14 Z 0.474560 -0.046371 -0.030009 -0.492386 -0.011304 205 C 14 XX -0.104718 -0.160753 0.328557 0.290553 0.076634 206 C 14 YY -0.129647 0.020028 -0.223794 -0.051896 0.023185 207 C 14 ZZ 0.234365 0.140725 -0.104762 -0.238657 -0.099820 208 C 14 XY 0.125943 -0.146776 -0.193166 -0.136159 0.006675 209 C 14 XZ -0.111522 -0.067185 0.258349 0.138312 0.127507 210 C 14 YZ -0.101205 0.072039 -0.161491 0.137773 0.098801 211 F 15 S -0.040935 -0.040078 -0.016293 -0.043322 -0.021107 212 F 15 S -0.081468 -0.077694 -0.046773 -0.097914 -0.044000 213 F 15 S 0.206909 0.223564 -0.072488 0.081612 0.110844 214 F 15 X 0.081332 0.023976 -0.055137 0.008933 0.035877 215 F 15 Y 0.003481 0.046182 -0.059360 -0.067203 0.051668 216 F 15 Z -0.063440 -0.097830 0.040926 -0.040569 -0.017007 217 F 15 X -0.175754 -0.062738 0.080378 -0.057777 -0.099177 218 F 15 Y -0.000727 -0.046544 0.170675 0.239586 -0.118945 219 F 15 Z -0.067943 -0.040758 0.001707 0.019724 -0.033660 220 F 15 XX 0.016030 0.011609 0.009355 0.008564 -0.002820 221 F 15 YY 0.002162 0.014449 -0.005450 0.009178 0.009533 222 F 15 ZZ -0.018193 -0.026057 -0.003905 -0.017743 -0.006713 223 F 15 XY -0.022249 -0.010409 0.005964 0.004229 -0.020818 224 F 15 XZ -0.004948 -0.007549 0.000352 -0.003684 0.002576 225 F 15 YZ 0.002539 0.023513 0.011700 0.025149 0.004188 226 F 16 S -0.005535 0.010522 -0.044107 -0.073614 0.000085 227 F 16 S -0.019310 -0.005340 -0.082122 -0.171495 -0.017452 228 F 16 S -0.045124 -0.307520 0.325261 0.207603 -0.210863 229 F 16 X 0.028269 -0.007671 -0.012897 0.058172 -0.040757 230 F 16 Y 0.036373 0.157123 -0.123196 -0.009091 0.110214 231 F 16 Z -0.043481 -0.081749 0.035573 -0.050408 -0.019985 232 F 16 X -0.077015 -0.091175 0.122510 -0.160451 0.025498 233 F 16 Y 0.015628 0.012060 0.086578 0.085661 -0.071065 234 F 16 Z 0.042128 0.021504 0.111792 0.182046 -0.052438 235 F 16 XX 0.002555 0.001632 0.004674 0.023645 -0.014855 236 F 16 YY 0.000650 0.012289 0.019114 0.002990 0.006042 237 F 16 ZZ -0.003204 -0.013921 -0.023789 -0.026636 0.008814 238 F 16 XY 0.010183 0.012683 0.012610 0.008246 0.008301 239 F 16 XZ 0.001116 0.004169 -0.004261 0.005573 -0.007521 240 F 16 YZ -0.007305 -0.004351 0.020404 0.012757 0.002367 241 F 17 S -0.018712 -0.013339 -0.050166 -0.051058 -0.011321 242 F 17 S -0.040569 -0.044240 -0.095995 -0.129916 -0.030886 243 F 17 S 0.092730 -0.084224 0.345359 -0.010967 0.008296 244 F 17 X -0.011898 -0.027091 0.035043 -0.011965 0.052800 245 F 17 Y -0.020596 -0.068039 0.118120 -0.012199 -0.027782 246 F 17 Z 0.043086 -0.036885 0.042154 -0.079537 -0.025937 247 F 17 X 0.017147 -0.013427 0.028419 -0.026693 -0.144338 248 F 17 Y 0.060276 0.009523 -0.131162 -0.129516 0.014714 249 F 17 Z -0.056411 0.007015 0.117452 0.148568 0.010240 250 F 17 XX -0.004073 0.006335 0.015245 0.010762 0.009984 251 F 17 YY 0.011812 0.005991 0.015296 0.001999 -0.009523 252 F 17 ZZ -0.007739 -0.012326 -0.030541 -0.012762 -0.000460 253 F 17 XY 0.005278 0.018126 -0.030626 -0.011681 -0.000462 254 F 17 XZ -0.007259 0.015023 -0.003538 0.004301 0.005740 255 F 17 YZ -0.007886 -0.004644 0.000667 -0.011367 0.006728 256 F 18 S 0.031650 0.009880 -0.028986 -0.072528 -0.015994 257 F 18 S 0.048069 0.012147 -0.063179 -0.153347 -0.029913 258 F 18 S -0.365386 -0.137498 0.093290 0.296078 0.106776 259 F 18 X -0.016649 -0.033105 -0.002247 0.023032 0.015918 260 F 18 Y -0.105597 -0.059527 0.084061 0.092941 -0.001893 261 F 18 Z 0.128087 0.027360 -0.006474 -0.081669 -0.044094 262 F 18 X -0.060239 0.039032 -0.010070 -0.032388 -0.061172 263 F 18 Y 0.115115 0.027482 -0.195218 -0.210545 0.027535 264 F 18 Z 0.005659 0.036164 -0.063324 -0.033057 -0.038156 265 F 18 XX 0.001403 -0.000637 0.028628 -0.000622 0.016293 266 F 18 YY -0.009297 0.008644 -0.009767 0.026805 -0.002790 267 F 18 ZZ 0.007893 -0.008007 -0.018861 -0.026184 -0.013504 268 F 18 XY 0.006107 -0.005663 0.004078 0.002740 0.000765 269 F 18 XZ -0.004013 -0.001758 -0.009645 0.010233 -0.009790 270 F 18 YZ 0.002224 -0.014290 -0.009372 -0.007084 0.003038 271 C 19 S -0.003720 0.028012 -0.002941 -0.008630 0.032594 272 C 19 S -0.051417 0.047659 0.012292 -0.041271 0.073437 273 C 19 S -0.609202 -0.408672 0.445869 -0.252278 0.122265 274 C 19 X 0.070596 -0.021593 -0.071271 0.051268 0.154421 275 C 19 Y 0.118549 -0.027744 0.081005 0.068186 -0.109761 276 C 19 Z 0.001664 0.100742 0.046091 -0.018315 -0.041902 277 C 19 X -0.018639 0.082385 -0.286725 -0.018510 0.250066 278 C 19 Y 0.212842 -0.006046 0.043343 0.126949 -0.133513 279 C 19 Z -0.033963 0.315292 0.066593 -0.120210 -0.083755 280 C 19 XX 0.045505 -0.020089 0.067151 0.022110 -0.121884 281 C 19 YY -0.189923 -0.065356 0.053447 -0.064937 -0.103759 282 C 19 ZZ 0.144418 0.085445 -0.120599 0.042827 0.225642 283 C 19 XY -0.253918 -0.068294 0.149443 -0.136688 0.271046 284 C 19 XZ -0.001223 0.147756 0.077874 -0.026015 -0.073953 285 C 19 YZ -0.049293 -0.115671 0.017355 0.018986 -0.025349 286 H 20 S 0.018493 0.023021 0.002482 0.008267 -0.040267 287 H 20 S 0.104792 -0.028519 0.198026 0.053156 -0.243287 288 H 20 X 0.002989 0.001622 -0.083936 0.011264 0.140639 289 H 20 Y 0.132064 0.102202 -0.118880 0.064743 -0.139080 290 H 20 Z 0.012980 -0.228198 -0.084965 0.062133 0.075684 291 H 21 S 0.001355 0.040884 -0.002102 -0.004123 0.023066 292 H 21 S -0.005696 0.196129 -0.069333 -0.073777 0.065543 293 H 21 X 0.098596 0.140945 0.007429 0.040529 -0.305366 294 H 21 Y 0.065805 -0.008413 -0.042765 0.036262 0.085513 295 H 21 Z 0.048142 0.059595 -0.121499 0.010219 0.187530 296 C 22 S 0.011453 0.033899 0.023897 -0.044911 -0.040729 297 C 22 S -0.005525 0.063942 0.053539 -0.100674 -0.086739 298 C 22 S -0.603504 -0.320027 -0.156738 0.213008 -0.061464 299 C 22 X -0.044982 -0.077997 -0.057218 0.068960 -0.011096 300 C 22 Y -0.056341 0.042399 -0.011230 -0.000013 -0.036600 301 C 22 Z 0.032970 -0.003376 0.069464 0.001670 0.077081 302 C 22 X -0.018635 -0.182211 -0.009432 0.090124 -0.224035 303 C 22 Y -0.187072 -0.164520 -0.036009 0.086121 -0.188392 304 C 22 Z 0.181208 -0.020845 0.093028 -0.023071 0.087294 305 C 22 XX 0.027813 -0.025419 -0.162966 0.133160 0.072731 306 C 22 YY -0.201973 -0.080519 0.018432 -0.044240 -0.035734 307 C 22 ZZ 0.174160 0.105938 0.144534 -0.088921 -0.036998 308 C 22 XY 0.136194 -0.002313 -0.049108 0.084531 -0.011539 309 C 22 XZ -0.091613 0.045071 0.015149 -0.035778 0.000281 310 C 22 YZ -0.094284 0.052636 0.071756 -0.090793 0.079406 311 H 23 S 0.018905 0.012041 0.025984 0.001582 -0.064558 312 H 23 S -0.069087 -0.144837 -0.080483 0.066901 -0.088852 313 H 23 X 0.085155 0.043885 -0.029796 0.055307 -0.043998 314 H 23 Y -0.111754 -0.069655 -0.039064 0.030008 0.026946 315 H 23 Z -0.159723 0.055903 -0.002193 -0.053621 0.006866 316 H 24 S 0.012486 0.026820 -0.041532 -0.016321 -0.007724 317 H 24 S -0.028322 0.085640 0.003049 -0.042509 -0.040235 318 H 24 X 0.094695 0.037994 0.146896 -0.093337 0.049427 319 H 24 Y -0.032338 -0.053350 -0.002640 -0.007833 -0.031679 320 H 24 Z -0.134076 -0.091036 -0.054376 0.069700 0.011372 321 H 25 S 0.024300 0.033208 0.034728 -0.036950 0.069266 322 H 25 S 0.162325 0.063856 0.088174 -0.053703 0.066344 323 H 25 X -0.022765 0.081149 0.066513 -0.113981 -0.050649 324 H 25 Y -0.130305 0.003410 0.069239 -0.086595 0.057761 325 H 25 Z 0.085635 0.104035 0.120398 -0.078211 0.074792 326 C 26 S 0.066449 0.041144 -0.027198 -0.089856 0.040083 327 C 26 S 0.123144 0.082836 -0.066578 -0.174527 0.062413 328 C 26 S -0.154032 0.383235 -0.219088 0.104992 -0.419177 329 C 26 X -0.008484 -0.091273 0.108409 -0.023306 -0.070857 330 C 26 Y -0.215328 0.011216 -0.074772 -0.072695 -0.007638 331 C 26 Z 0.007528 -0.004476 -0.107494 -0.026490 0.049545 332 C 26 X -0.172477 0.020220 0.260561 -0.343965 0.213735 333 C 26 Y -0.707131 0.157742 -0.166530 0.143494 -0.181189 334 C 26 Z -0.141172 -0.275986 -0.056574 0.338897 -0.046603 335 C 26 XX -0.184535 0.049577 -0.092947 0.208241 -0.079624 336 C 26 YY 0.145150 -0.156101 0.139616 0.006670 0.094847 337 C 26 ZZ 0.039385 0.106525 -0.046669 -0.214911 -0.015223 338 C 26 XY -0.223871 0.176453 -0.091507 -0.172525 0.101210 339 C 26 XZ 0.036501 -0.099155 0.152437 0.016630 -0.117149 340 C 26 YZ -0.059301 0.029091 0.056402 -0.011472 -0.080668 341 H 27 S -0.011380 0.006296 0.035640 -0.114873 0.069214 342 H 27 S -0.360745 -0.008776 0.051578 -0.019677 0.058940 343 H 27 X -0.230598 -0.011093 -0.040594 0.156689 -0.115264 344 H 27 Y 0.070388 -0.145021 0.078963 -0.165494 0.131324 345 H 27 Z 0.078010 0.219831 0.063219 -0.197506 -0.095459 346 H 28 S 0.074160 0.015049 0.017056 -0.097691 0.079401 347 H 28 S 0.341313 -0.205776 0.193599 -0.026039 0.112488 348 H 28 X 0.205341 -0.129027 0.040588 0.256920 -0.173159 349 H 28 Y -0.070546 0.086903 -0.064992 -0.111364 -0.079901 350 H 28 Z 0.108675 0.203433 -0.012165 -0.241856 0.001938 351 H 29 S 0.036800 -0.004588 0.008106 -0.018367 -0.006943 352 H 29 S -0.053535 -0.021355 -0.230942 0.277803 -0.095504 353 H 29 X 0.236991 -0.044427 0.158686 -0.040413 -0.098068 354 H 29 Y 0.361135 -0.183314 0.086882 0.054196 0.007910 355 H 29 Z 0.074915 0.277264 -0.106688 -0.161906 -0.025341 356 C 30 S 0.022566 0.003162 -0.086270 -0.045341 -0.028998 357 C 30 S 0.051960 -0.011572 -0.157096 -0.113325 -0.025871 358 C 30 S 0.410538 0.037581 0.561649 -0.166900 0.636789 359 C 30 X -0.003376 -0.046495 -0.016663 0.021992 0.062441 360 C 30 Y 0.104453 0.039058 -0.039549 -0.054267 0.091949 361 C 30 Z 0.019278 0.014475 -0.046820 0.132946 -0.173731 362 C 30 X -0.027216 -0.107385 -0.268142 0.182297 0.337583 363 C 30 Y 0.525856 0.042444 -0.036160 -0.118955 0.076561 364 C 30 Z 0.072312 -0.150892 -0.404748 0.069426 -0.373178 365 C 30 XX -0.198574 0.064750 0.229933 -0.010750 0.013518 366 C 30 YY -0.087638 0.226294 -0.129296 0.155634 -0.136364 367 C 30 ZZ 0.286212 -0.291045 -0.100638 -0.144884 0.122846 368 C 30 XY 0.068136 0.006877 0.144818 -0.009713 -0.196516 369 C 30 XZ -0.024880 -0.030483 -0.008267 -0.075804 0.037405 370 C 30 YZ -0.054422 -0.017514 -0.096756 0.043894 -0.010565 371 H 31 S 0.073415 -0.023364 -0.064868 0.006449 0.038027 372 H 31 S 0.205350 0.057553 -0.031397 -0.071424 0.106964 373 H 31 X 0.058758 0.057633 0.154859 -0.010413 -0.245244 374 H 31 Y -0.068939 0.138905 0.067002 -0.031410 0.084166 375 H 31 Z -0.288206 0.194491 0.164928 0.043959 -0.076053 376 H 32 S -0.003040 -0.075791 -0.104301 -0.038676 -0.051966 377 H 32 S -0.190865 0.036075 -0.092951 0.222078 0.152417 378 H 32 X -0.178131 0.003294 0.152239 0.046253 0.004463 379 H 32 Y -0.036650 -0.051792 0.179276 -0.051207 -0.073925 380 H 32 Z -0.233895 0.096925 0.158720 -0.018608 0.109595 381 H 33 S -0.028134 0.012231 -0.050469 0.008151 -0.079672 382 H 33 S -0.175526 0.118229 0.277113 -0.112924 -0.244919 383 H 33 X 0.219430 0.011699 -0.112504 -0.001196 -0.010661 384 H 33 Y -0.097751 -0.139459 0.007427 -0.023155 0.204504 385 H 33 Z -0.182058 0.069919 0.043655 0.079814 0.050815 386 H 34 S 0.037322 -0.014538 -0.031503 0.030861 0.049473 387 H 34 S 0.018339 -0.119608 -0.139360 0.058653 0.154476 388 H 34 X 0.098561 -0.082320 -0.080310 0.071233 -0.187052 389 H 34 Y 0.059722 0.151415 -0.030769 -0.033910 0.088833 390 H 34 Z -0.044456 -0.036597 0.127541 -0.008430 -0.200176 391 F 35 S 0.023583 0.058330 0.082637 0.121984 0.010190 392 F 35 S 0.065584 0.097983 0.181950 0.240190 0.015288 393 F 35 S 0.009987 -0.522174 -0.302264 -0.783551 -0.152578 394 F 35 X 0.031175 -0.225669 -0.053368 -0.272402 -0.061482 395 F 35 Y -0.020935 -0.034015 0.015280 -0.017810 0.000834 396 F 35 Z -0.106274 0.058067 -0.013377 0.006497 -0.019413 397 F 35 X 0.103321 0.029954 -0.017422 0.118987 0.062112 398 F 35 Y 0.081538 0.052973 -0.063963 -0.007200 -0.016425 399 F 35 Z 0.202034 0.076491 0.153472 0.257304 0.064437 400 F 35 XX 0.004657 0.007897 0.005682 0.005343 0.000931 401 F 35 YY -0.008445 -0.004699 -0.025364 -0.018064 -0.001646 402 F 35 ZZ 0.003788 -0.003199 0.019682 0.012721 0.000714 403 F 35 XY -0.016590 -0.017672 0.011136 0.004736 -0.001225 404 F 35 XZ -0.000389 -0.021850 -0.014653 -0.037453 0.001137 405 F 35 YZ -0.003166 0.002682 -0.009213 -0.000439 -0.004170 406 F 36 S 0.059045 0.020123 0.031948 0.049717 0.020174 407 F 36 S 0.121138 0.063258 0.059857 0.133970 0.046467 408 F 36 S -0.316430 0.098350 -0.214784 0.110163 -0.045889 409 F 36 X -0.068944 -0.098970 -0.072667 -0.135216 -0.034763 410 F 36 Y 0.020027 0.002201 0.013644 -0.057993 0.040950 411 F 36 Z -0.091742 0.113320 -0.089644 0.103897 0.008527 412 F 36 X 0.195989 0.176153 0.194020 0.315537 0.069500 413 F 36 Y -0.050028 -0.039011 -0.012295 0.104364 -0.079737 414 F 36 Z 0.008917 -0.015415 0.023219 0.023303 -0.021489 415 F 36 XX -0.013036 0.007707 0.009964 0.015209 0.001454 416 F 36 YY -0.004764 -0.009089 -0.014645 -0.020293 -0.007449 417 F 36 ZZ 0.017800 0.001382 0.004681 0.005085 0.005995 418 F 36 XY 0.012362 0.008553 0.001575 -0.004351 0.003074 419 F 36 XZ -0.015222 0.020643 -0.019846 0.012109 0.007255 420 F 36 YZ 0.006316 -0.000210 0.001243 -0.006502 -0.002092 421 C 37 S -0.008696 -0.006278 0.187322 0.081206 -0.057293 422 C 37 S -0.026240 -0.055481 0.394335 0.150833 -0.176442 423 C 37 S -1.637368 -0.581222 -2.067489 -0.917653 -1.742332 424 C 37 X 0.035571 0.052264 -0.025303 -0.041344 0.181643 425 C 37 Y -0.003480 0.102818 -0.044707 -0.073963 -0.363887 426 C 37 Z 0.038393 0.003759 -0.018911 0.007708 -0.020949 427 C 37 X 0.813226 0.369979 1.183539 0.480606 0.256298 428 C 37 Y -0.871034 0.414870 -1.660764 -0.493810 -0.111619 429 C 37 Z -0.208467 0.068144 -0.188047 0.072094 0.124901 430 C 37 XX -0.008982 0.013021 0.018952 0.007098 0.085586 431 C 37 YY -0.057859 -0.158080 -0.068803 -0.022417 -0.273631 432 C 37 ZZ 0.066841 0.145059 0.049851 0.015319 0.188045 433 C 37 XY -0.005660 -0.053280 0.154128 0.004818 0.085720 434 C 37 XZ -0.105944 0.400368 0.100606 -0.208388 -0.164762 435 C 37 YZ -0.038917 -0.007535 0.018916 -0.121871 -0.169054 436 S 38 S 0.008596 -0.005546 0.004124 0.018250 -0.007612 437 S 38 S 0.060259 -0.038821 0.023912 0.125486 -0.057503 438 S 38 S 0.067066 -0.043046 0.006207 0.130548 -0.080568 439 S 38 S -0.121905 -0.085066 -0.362172 -0.961461 0.089400 440 S 38 X 0.000026 -0.000532 0.001665 -0.000906 -0.015744 441 S 38 Y -0.007713 0.010318 0.017940 0.026366 0.001342 442 S 38 Z -0.006508 -0.002288 -0.006720 -0.002042 -0.001388 443 S 38 X -0.004584 -0.001185 0.009892 -0.008020 -0.058600 444 S 38 Y -0.016892 0.025485 0.082774 0.109542 -0.013061 445 S 38 Z -0.031889 -0.022643 -0.028344 -0.008208 -0.004503 446 S 38 X 0.061303 -0.041937 0.181396 -0.056936 0.041590 447 S 38 Y 0.084849 -0.018479 0.304110 0.370438 0.061813 448 S 38 Z -0.001356 0.066071 0.020596 -0.052515 0.039257 449 S 38 XX -0.035584 0.028086 0.003812 -0.005967 -0.004326 450 S 38 YY -0.000447 -0.002788 -0.047935 -0.052520 0.002568 451 S 38 ZZ 0.036032 -0.025299 0.044123 0.058487 0.001758 452 S 38 XY -0.015717 0.003562 -0.016136 -0.005399 -0.039995 453 S 38 XZ -0.005765 -0.026525 -0.008643 0.015708 -0.006594 454 S 38 YZ 0.039127 0.014720 0.018447 0.036700 -0.000091 455 S 38 XX -0.004260 0.003532 0.000995 -0.000306 -0.000559 456 S 38 YY -0.003038 0.000415 -0.004513 -0.006705 0.003073 457 S 38 ZZ 0.007298 -0.003947 0.003518 0.007011 -0.002514 458 S 38 XY -0.000171 -0.000776 0.001516 0.000604 -0.009652 459 S 38 XZ -0.002169 -0.007188 -0.003279 0.004125 -0.002339 460 S 38 YZ 0.007902 0.004861 0.003126 0.007825 -0.000445 461 H 39 S -0.100307 0.000094 -0.168736 -0.021457 0.050686 462 H 39 S -0.229059 -0.041901 -0.455231 -0.110287 0.031369 463 H 39 X 0.011035 -0.089182 0.133644 -0.037963 0.028958 464 H 39 Y 0.075294 -0.055458 0.060215 0.009322 -0.008257 465 H 39 Z 0.119982 -0.304210 -0.046842 0.072427 0.096130 351 352 353 354 355 2.3847 2.3852 2.3972 2.4062 2.4250 A A A A A 1 C 1 S 0.204162 0.273098 -0.125995 -0.034648 -0.217826 2 C 1 S 0.303014 0.476147 -0.201517 -0.100179 -0.367497 3 C 1 S -3.105360 -1.717088 0.764145 -1.431454 2.430613 4 C 1 X 0.238545 0.020898 -0.059197 0.107806 0.212360 5 C 1 Y 0.133146 0.054764 -0.080785 0.046141 -0.207489 6 C 1 Z -0.021518 0.049669 0.003560 -0.003358 -0.012124 7 C 1 X 1.350407 0.506273 -0.539445 0.143468 0.226614 8 C 1 Y -0.798719 -0.512206 0.509807 0.254944 -0.180253 9 C 1 Z -0.166935 -0.054826 0.109125 0.015316 -0.028033 10 C 1 XX -0.542465 -0.408123 0.341830 0.151468 -0.316198 11 C 1 YY -0.071967 -0.016998 0.006991 -0.239410 0.633275 12 C 1 ZZ 0.614432 0.425121 -0.348821 0.087942 -0.317078 13 C 1 XY 0.294856 0.261239 -0.169685 0.088439 -0.495690 14 C 1 XZ 0.083120 0.008373 -0.109928 0.020750 -0.057383 15 C 1 YZ -0.037864 -0.072522 -0.060574 -0.034908 0.076112 16 C 2 S 0.013052 0.191935 -0.176482 -0.312847 0.327667 17 C 2 S 0.084753 0.369340 -0.373722 -0.562580 0.658882 18 C 2 S 2.330137 -2.206241 0.217169 4.098143 -1.761540 19 C 2 X 0.479202 0.372327 -0.291716 -0.070791 -0.062094 20 C 2 Y -0.031813 -0.061353 -0.047022 0.215451 -0.318694 21 C 2 Z -0.037905 -0.013085 0.045863 0.005339 -0.011447 22 C 2 X 1.446821 0.091537 -0.045072 0.401329 -0.144056 23 C 2 Y 0.161581 -1.685895 0.575721 1.870005 -1.031630 24 C 2 Z -0.100470 -0.108818 0.076434 0.049971 0.001987 25 C 2 XX 0.331107 0.014087 -0.105527 0.162827 0.121370 26 C 2 YY -0.095192 -0.071008 0.073259 0.202506 -0.328332 27 C 2 ZZ -0.235915 0.056920 0.032268 -0.365333 0.206962 28 C 2 XY -0.093706 0.043221 -0.009938 -0.164024 -0.039990 29 C 2 XZ -0.025366 -0.155471 -0.032939 -0.064740 -0.027963 30 C 2 YZ -0.005115 0.014061 0.253622 -0.049173 0.072897 31 C 3 S -0.153006 0.121806 0.050243 -0.018454 0.163928 32 C 3 S -0.329394 0.246543 0.110447 -0.028411 0.356651 33 C 3 S -1.300197 -1.786003 0.241853 0.167359 0.576539 34 C 3 X -0.045046 -0.110466 0.154991 -0.008231 0.118075 35 C 3 Y -0.039356 0.142258 0.036419 0.188639 -0.159109 36 C 3 Z 0.003889 0.012571 0.001257 0.021671 -0.005687 37 C 3 X -1.038416 4.700824 -1.086333 -1.304788 -0.375862 38 C 3 Y -0.612335 -3.490546 0.725704 3.405744 -0.720129 39 C 3 Z 0.031696 -0.175475 -0.018616 0.161568 -0.027172 40 C 3 XX 0.065187 -0.013661 -0.015146 0.244185 -0.164569 41 C 3 YY 0.007148 0.117825 0.018684 -0.262405 0.082396 42 C 3 ZZ -0.072335 -0.104164 -0.003539 0.018220 0.082173 43 C 3 XY -0.066199 0.085073 -0.039806 0.099785 -0.011169 44 C 3 XZ -0.130855 0.027951 -0.048982 0.104217 0.036539 45 C 3 YZ -0.008320 0.147502 0.311605 -0.052019 0.102565 46 C 4 S -0.395220 0.255735 0.017448 -0.046121 -0.146617 47 C 4 S -0.730058 0.461692 0.042292 -0.088031 -0.293904 48 C 4 S 3.797601 -3.247443 -0.036098 0.594589 0.746382 49 C 4 X 0.003652 0.078224 0.046504 0.088550 0.005970 50 C 4 Y 0.210488 -0.095058 -0.182535 -0.026641 -0.086466 51 C 4 Z -0.002216 0.060158 0.127824 0.186147 0.042855 52 C 4 X -1.051989 -0.124413 -0.041048 0.602724 0.079674 53 C 4 Y -0.329555 0.560965 0.324855 0.539221 -0.607157 54 C 4 Z -0.854569 2.298257 0.543982 0.645860 -1.160631 55 C 4 XX -0.015367 0.085669 -0.268024 -0.327266 0.045210 56 C 4 YY -0.031084 -0.361141 -0.125186 -0.173010 0.129726 57 C 4 ZZ 0.046451 0.275472 0.393210 0.500276 -0.174936 58 C 4 XY 0.056040 -0.006108 0.048153 -0.086318 -0.149544 59 C 4 XZ 0.030714 0.176724 0.056478 0.054320 0.014831 60 C 4 YZ -0.146398 0.239076 0.150047 0.168276 0.026841 61 S 5 S -0.012050 -0.022415 -0.004841 -0.001092 0.036155 62 S 5 S -0.086357 -0.153163 -0.032062 -0.003849 0.253696 63 S 5 S -0.104466 -0.160862 -0.024440 0.017405 0.288564 64 S 5 S 0.329108 1.248941 0.122297 0.062532 -1.222609 65 S 5 X 0.009618 -0.039134 -0.010340 -0.018682 0.026006 66 S 5 Y -0.049586 0.008251 0.035413 -0.004382 -0.006020 67 S 5 Z -0.005144 0.001423 0.003371 -0.007870 0.003300 68 S 5 X 0.030473 -0.145767 -0.053407 -0.089828 0.135678 69 S 5 Y -0.172142 0.035589 0.137002 -0.004638 -0.037855 70 S 5 Z -0.017263 0.002409 0.024190 -0.029398 0.005446 71 S 5 X -0.180705 -0.570465 -0.015753 -0.024804 0.508236 72 S 5 Y 0.049433 0.187706 -0.055525 -0.085917 0.141011 73 S 5 Z 0.078384 -0.011352 -0.002783 -0.036504 -0.071002 74 S 5 XX -0.022526 0.086475 0.026691 0.053814 -0.171960 75 S 5 YY 0.024953 0.030705 -0.010020 -0.009057 0.064030 76 S 5 ZZ -0.002427 -0.117180 -0.016671 -0.044757 0.107930 77 S 5 XY 0.091551 -0.086875 -0.083031 -0.003611 0.017464 78 S 5 XZ -0.010630 0.010378 -0.037827 -0.003697 0.039523 79 S 5 YZ -0.003486 -0.028464 0.004275 -0.027332 -0.018072 80 S 5 XX -0.001981 0.016700 0.001099 0.007975 -0.038600 81 S 5 YY 0.001967 0.004081 -0.000908 -0.000242 0.018761 82 S 5 ZZ 0.000015 -0.020782 -0.000191 -0.007733 0.019839 83 S 5 XY 0.005093 -0.012530 -0.008290 -0.002198 0.000130 84 S 5 XZ -0.004202 0.003910 -0.007673 -0.002578 0.009215 85 S 5 YZ -0.000077 -0.008912 -0.000891 -0.006738 -0.004055 86 H 6 S 0.041754 0.010624 0.042320 0.009410 -0.090259 87 H 6 S 0.224150 -0.261420 0.118427 0.380136 -0.386139 88 H 6 X 0.023490 -0.049347 -0.015843 0.173869 -0.255513 89 H 6 Y 0.048321 0.276134 -0.073051 -0.050861 -0.313446 90 H 6 Z 0.016884 -0.040001 0.080484 -0.062095 0.013960 91 C 7 S -0.126717 0.039071 0.041897 -0.037098 -0.273600 92 C 7 S -0.262151 0.073086 0.075316 -0.090019 -0.489147 93 C 7 S 1.252880 0.701703 0.327154 0.031392 3.800390 94 C 7 X 0.145045 -0.075553 0.144223 -0.134789 -0.124092 95 C 7 Y 0.126468 0.014340 0.032945 0.071659 0.011389 96 C 7 Z -0.005029 0.004621 0.005734 -0.031376 0.043356 97 C 7 X -1.111151 -0.544850 -1.138961 0.468555 -2.325671 98 C 7 Y -0.786406 0.029569 -0.040346 -0.930095 -1.406243 99 C 7 Z 0.180355 -0.007863 -0.034057 -0.290916 0.198168 100 C 7 XX -0.085396 0.103721 -0.122437 0.012747 0.266422 101 C 7 YY 0.046761 -0.136893 -0.041746 -0.027027 -0.017622 102 C 7 ZZ 0.038635 0.033172 0.164183 0.014281 -0.248800 103 C 7 XY 0.082020 0.039569 -0.006027 -0.104429 0.196181 104 C 7 XZ 0.043888 0.015197 -0.196944 0.155351 -0.061556 105 C 7 YZ 0.001933 0.037688 -0.004744 0.171385 0.055350 106 C 8 S -0.101473 -0.124115 -0.213829 0.024382 -0.093422 107 C 8 S -0.143595 -0.225640 -0.341581 0.014054 -0.166765 108 C 8 S 2.210769 0.324230 2.291010 -0.749559 1.252993 109 C 8 X 0.114082 0.016132 0.194761 -0.122726 -0.015949 110 C 8 Y -0.053844 0.055677 -0.052685 0.198571 0.065918 111 C 8 Z -0.004729 0.004069 -0.036461 -0.023133 -0.013629 112 C 8 X 0.236473 -0.122804 -0.214525 0.460967 0.044493 113 C 8 Y -0.690590 -0.484408 -1.286793 0.828067 -0.597393 114 C 8 Z -0.089042 -0.057271 -0.124341 0.165735 -0.054168 115 C 8 XX -0.002769 -0.048449 -0.016976 0.032149 0.003350 116 C 8 YY 0.293738 0.226587 0.547034 -0.230253 0.054859 117 C 8 ZZ -0.290969 -0.178138 -0.530058 0.198104 -0.058209 118 C 8 XY 0.124707 -0.032418 -0.066664 0.244433 0.216255 119 C 8 XZ 0.000349 -0.009787 0.010057 0.065478 0.024452 120 C 8 YZ 0.100214 0.027467 0.125766 -0.076354 0.003948 121 C 9 S 0.280365 -0.187763 -0.012395 0.121476 -0.101417 122 C 9 S 0.544561 -0.331915 -0.023748 0.202993 -0.223947 123 C 9 S -1.495261 1.577697 0.301608 -1.678397 0.496160 124 C 9 X -0.021693 0.008838 0.004935 0.098164 0.155302 125 C 9 Y 0.050244 -0.071390 0.144130 -0.029038 0.063116 126 C 9 Z 0.023481 0.103822 -0.004651 0.153330 0.022302 127 C 9 X 0.260968 -1.178555 -0.396245 0.576048 -0.344139 128 C 9 Y 1.982264 -2.660197 -0.551379 1.090663 0.752275 129 C 9 Z -0.020516 -0.235489 0.793475 0.850027 0.634849 130 C 9 XX 0.234724 -0.242899 -0.071157 0.175248 0.002712 131 C 9 YY -0.054934 0.098664 0.104489 0.399623 0.185657 132 C 9 ZZ -0.179791 0.144236 -0.033332 -0.574871 -0.188369 133 C 9 XY -0.016410 -0.223493 0.009093 -0.004732 -0.049541 134 C 9 XZ 0.067311 -0.032763 -0.093603 -0.020496 0.105077 135 C 9 YZ 0.121201 -0.179940 -0.093569 -0.235735 -0.086280 136 C 10 S 0.024778 -0.065474 0.112510 0.079288 -0.003322 137 C 10 S 0.061385 -0.113577 0.213689 0.151454 0.000849 138 C 10 S -1.439121 1.131693 -1.196623 -0.289512 -1.271078 139 C 10 X 0.063306 -0.107524 0.097452 0.077542 -0.116975 140 C 10 Y 0.012362 0.022780 -0.018148 -0.032583 -0.261576 141 C 10 Z 0.015865 -0.036054 -0.047200 0.000620 0.032355 142 C 10 X -1.013759 -1.648409 -0.212869 0.085990 -2.169528 143 C 10 Y -0.166598 -0.826082 -0.426372 0.388476 -3.016007 144 C 10 Z 0.088823 0.394912 0.232920 0.175274 0.487026 145 C 10 XX 0.085464 0.198241 -0.085543 0.001634 -0.064580 146 C 10 YY 0.047768 -0.101835 0.031260 -0.011130 0.088488 147 C 10 ZZ -0.133231 -0.096406 0.054283 0.009496 -0.023909 148 C 10 XY 0.157466 -0.177755 0.025430 -0.074049 -0.219420 149 C 10 XZ -0.126773 0.152160 -0.061844 0.097206 0.094694 150 C 10 YZ 0.010884 -0.008002 -0.250742 0.156434 0.023756 151 C 11 S -0.048821 -0.123524 0.039226 0.054182 0.305580 152 C 11 S -0.106021 -0.206853 0.070395 0.082219 0.576563 153 C 11 S -0.027092 4.878807 -0.838033 -1.900272 -2.882116 154 C 11 X 0.033688 -0.077328 0.020651 -0.000985 0.082095 155 C 11 Y -0.014693 0.036618 -0.015532 0.096455 -0.083898 156 C 11 Z 0.002942 -0.045455 -0.053783 0.028176 -0.010267 157 C 11 X 0.505621 3.156996 -0.902724 -1.895575 0.164614 158 C 11 Y 0.575509 -1.993464 0.096594 0.054355 -1.266635 159 C 11 Z -0.160685 0.295290 -0.193119 -0.141583 -0.069229 160 C 11 XX 0.020507 0.098181 0.058675 -0.063863 0.076790 161 C 11 YY -0.044642 -0.067179 -0.045265 -0.052260 -0.348300 162 C 11 ZZ 0.024136 -0.031002 -0.013410 0.116123 0.271510 163 C 11 XY -0.141951 0.044781 -0.027838 0.005847 0.050333 164 C 11 XZ -0.189732 -0.000790 -0.195335 -0.093590 0.003208 165 C 11 YZ 0.045210 -0.097304 -0.173318 0.011306 -0.063128 166 C 12 S 0.002936 0.050063 0.023255 -0.036347 0.027134 167 C 12 S -0.000942 0.077794 0.042880 -0.082041 0.046720 168 C 12 S -0.257376 -1.723749 -0.146565 -0.024605 -0.981806 169 C 12 X 0.011636 -0.127444 0.083904 -0.015467 -0.054480 170 C 12 Y 0.043455 0.034920 0.026696 0.022595 0.015063 171 C 12 Z -0.033512 0.048793 0.002690 0.039060 0.000256 172 C 12 X -0.386344 -0.472460 0.058954 0.215993 0.079863 173 C 12 Y -0.329678 0.696036 -0.155631 0.143848 0.703500 174 C 12 Z 0.156035 -0.082558 0.021074 -0.173709 -0.110691 175 C 12 XX 0.085367 -0.156697 0.145967 -0.028190 0.069297 176 C 12 YY -0.263547 0.314501 -0.193912 0.090417 0.008817 177 C 12 ZZ 0.178180 -0.157805 0.047945 -0.062227 -0.078115 178 C 12 XY 0.191494 -0.023891 0.117627 -0.141328 0.128904 179 C 12 XZ -0.071496 0.170874 -0.004159 0.018577 0.070474 180 C 12 YZ 0.220429 -0.168925 0.194492 -0.123376 0.011867 181 C 13 S 0.027938 -0.180285 -0.077295 -0.004053 -0.072241 182 C 13 S 0.032485 -0.321020 -0.172933 -0.006834 -0.147558 183 C 13 S -0.568987 1.948137 0.088800 0.178702 0.638917 184 C 13 X -0.024663 0.016777 -0.072713 0.001805 -0.035642 185 C 13 Y -0.006612 -0.091771 -0.020662 0.063863 -0.025205 186 C 13 Z 0.018681 0.014905 -0.014423 -0.010376 -0.026722 187 C 13 X 0.051776 0.824306 0.232395 -0.061678 0.120543 188 C 13 Y -0.013841 -0.273638 0.096496 0.079172 0.062390 189 C 13 Z -0.315589 0.450312 0.037617 0.136858 0.285654 190 C 13 XX -0.060385 0.044883 -0.012376 -0.043546 0.064783 191 C 13 YY -0.141016 0.083731 -0.089114 0.049421 -0.058103 192 C 13 ZZ 0.201401 -0.128614 0.101490 -0.005876 -0.006680 193 C 13 XY -0.037048 -0.089296 0.013690 0.071469 -0.036364 194 C 13 XZ 0.193676 -0.090521 0.118439 -0.026890 -0.017877 195 C 13 YZ -0.004669 -0.045162 0.019753 0.080458 -0.008820 196 C 14 S 0.016611 0.122202 0.050707 0.010918 0.062618 197 C 14 S 0.038319 0.207880 0.090204 0.031591 0.110793 198 C 14 S 0.397868 -1.065412 -0.690380 -0.635989 -0.308734 199 C 14 X 0.092999 -0.017179 0.016374 -0.037267 0.029952 200 C 14 Y 0.027892 -0.008774 -0.040015 0.032765 -0.004715 201 C 14 Z -0.034474 0.017194 -0.012613 -0.005051 0.019227 202 C 14 X -0.062970 0.126759 -0.406114 0.001558 -0.024234 203 C 14 Y 0.141876 -0.628080 -0.056639 -0.161577 -0.112136 204 C 14 Z 0.216682 0.060451 0.076468 -0.006809 -0.031018 205 C 14 XX 0.242762 -0.226776 0.114638 0.106028 0.011668 206 C 14 YY -0.238939 0.099780 -0.116333 -0.002962 -0.030301 207 C 14 ZZ -0.003823 0.126996 0.001696 -0.103066 0.018632 208 C 14 XY -0.083670 0.141688 -0.106680 -0.067639 -0.044088 209 C 14 XZ -0.055337 -0.083872 -0.079934 -0.033522 0.017422 210 C 14 YZ -0.298247 0.173974 -0.206680 -0.051069 0.043065 211 F 15 S -0.011312 0.006225 -0.002156 -0.004159 -0.031923 212 F 15 S -0.040299 0.032479 -0.007906 -0.001410 -0.064610 213 F 15 S -0.098083 0.175493 -0.007177 0.100274 0.208474 214 F 15 X -0.034839 0.008069 0.001218 0.027905 0.009784 215 F 15 Y -0.033849 0.035581 -0.049667 0.003372 -0.004530 216 F 15 Z 0.096119 -0.108434 0.027371 -0.044259 -0.029439 217 F 15 X 0.041817 0.026472 -0.016217 -0.051602 -0.022306 218 F 15 Y 0.073083 -0.087369 0.084226 -0.007904 -0.024491 219 F 15 Z -0.024002 -0.007140 -0.009281 0.005398 -0.052626 220 F 15 XX 0.005046 0.004519 0.002933 -0.001481 0.003153 221 F 15 YY -0.012270 0.009112 -0.007777 0.006656 0.007236 222 F 15 ZZ 0.007224 -0.013632 0.004845 -0.005175 -0.010388 223 F 15 XY 0.007929 -0.004824 0.009615 -0.008922 -0.007865 224 F 15 XZ 0.006640 -0.011972 -0.000975 -0.002779 -0.004453 225 F 15 YZ -0.007271 0.008250 -0.007780 0.004443 0.000738 226 F 16 S -0.022409 0.047036 -0.037512 -0.002536 0.018236 227 F 16 S -0.025441 0.088354 -0.064949 -0.019685 0.044032 228 F 16 S 0.314407 -0.322572 0.304318 -0.122988 -0.087948 229 F 16 X 0.020688 -0.031481 0.040526 -0.014090 -0.010791 230 F 16 Y -0.131735 0.101192 -0.096695 0.072851 0.008448 231 F 16 Z 0.073079 -0.057763 0.046700 -0.048787 0.023863 232 F 16 X 0.059340 0.005368 0.009151 -0.021954 0.039764 233 F 16 Y 0.009903 -0.011223 -0.023744 -0.007760 -0.064502 234 F 16 Z 0.032344 -0.041001 0.038443 0.026094 -0.040262 235 F 16 XX 0.002991 -0.003425 0.001388 -0.003409 -0.005230 236 F 16 YY 0.005590 -0.001682 0.000231 0.000971 -0.002801 237 F 16 ZZ -0.008581 0.005107 -0.001619 0.002438 0.008032 238 F 16 XY -0.002516 -0.000921 0.010870 0.004119 0.005213 239 F 16 XZ -0.009288 0.014290 -0.002092 -0.001451 0.007925 240 F 16 YZ 0.017976 -0.018359 0.010306 -0.003189 0.001676 241 F 17 S -0.028974 0.018510 -0.012716 -0.001319 -0.027718 242 F 17 S -0.042240 0.026785 -0.012600 0.003007 -0.068407 243 F 17 S 0.290641 -0.171274 0.194199 0.048962 0.052796 244 F 17 X -0.023697 -0.007087 -0.010113 0.011952 -0.004547 245 F 17 Y 0.114620 -0.078685 0.062462 0.011227 -0.023822 246 F 17 Z 0.102437 -0.050414 0.061658 0.020837 -0.016818 247 F 17 X 0.092395 -0.029050 0.043399 -0.052735 -0.017606 248 F 17 Y 0.004311 0.041915 0.036056 0.055421 0.032898 249 F 17 Z 0.015668 -0.045757 0.023907 -0.000073 0.018935 250 F 17 XX 0.002010 -0.001486 0.005739 0.004764 0.009782 251 F 17 YY 0.008476 -0.001895 0.002016 -0.010642 -0.004300 252 F 17 ZZ -0.010486 0.003381 -0.007755 0.005878 -0.005482 253 F 17 XY 0.000030 0.007642 0.006488 0.010640 0.000626 254 F 17 XZ -0.006637 0.004959 0.000910 0.008349 0.007973 255 F 17 YZ -0.015830 0.010590 -0.008025 -0.004240 0.001461 256 F 18 S -0.015437 0.025149 0.021752 0.006125 0.022933 257 F 18 S -0.046432 0.057726 0.046071 0.017424 0.056853 258 F 18 S -0.073363 -0.043243 -0.094286 0.018863 -0.026114 259 F 18 X -0.031110 0.013432 -0.019420 0.016602 0.002831 260 F 18 Y -0.000969 -0.043495 0.016811 0.007846 0.000515 261 F 18 Z 0.073393 -0.015488 0.027099 -0.016992 -0.037551 262 F 18 X 0.050519 -0.015606 0.066275 -0.025317 0.012275 263 F 18 Y -0.012832 0.102659 -0.042585 0.009899 0.009529 264 F 18 Z -0.019360 0.047335 0.023945 -0.001476 0.042066 265 F 18 XX 0.004090 -0.003953 -0.005204 -0.000106 -0.000813 266 F 18 YY -0.016233 -0.000358 -0.009375 -0.004598 0.000529 267 F 18 ZZ 0.012143 0.004311 0.014579 0.004703 0.000284 268 F 18 XY -0.011410 -0.003865 -0.011972 -0.004466 -0.009642 269 F 18 XZ 0.008954 -0.000655 0.008138 0.002826 -0.003073 270 F 18 YZ 0.003637 -0.008088 -0.005223 0.002277 -0.009136 271 C 19 S -0.021266 -0.029644 -0.039448 0.006380 -0.008039 272 C 19 S -0.078711 -0.059701 -0.109529 0.000246 -0.032314 273 C 19 S -0.329272 0.332910 0.190241 -0.550704 -0.054352 274 C 19 X 0.116747 0.126964 0.274503 -0.117595 -0.003004 275 C 19 Y 0.130330 -0.019147 0.020662 0.107587 0.127747 276 C 19 Z 0.048573 -0.006171 0.011159 -0.030267 0.019996 277 C 19 X 0.030033 0.165068 0.259898 -0.190981 -0.117731 278 C 19 Y 0.136542 -0.156101 -0.128105 0.310485 0.128999 279 C 19 Z -0.006152 0.049335 -0.025171 -0.093368 -0.041644 280 C 19 XX 0.015233 -0.034860 -0.031690 0.072143 0.043646 281 C 19 YY -0.157174 -0.072342 -0.268781 0.090059 -0.038065 282 C 19 ZZ 0.141940 0.107202 0.300471 -0.162202 -0.005581 283 C 19 XY -0.125865 0.143519 0.119792 -0.177994 -0.077738 284 C 19 XZ -0.011838 -0.040868 -0.152594 -0.227477 -0.131301 285 C 19 YZ -0.030545 -0.045156 -0.099305 -0.013651 -0.025652 286 H 20 S -0.013396 -0.077023 -0.107951 0.099192 0.018626 287 H 20 S 0.040633 -0.123329 -0.191546 0.196813 0.137352 288 H 20 X 0.027425 0.070476 0.146271 -0.113527 -0.054843 289 H 20 Y 0.036355 -0.155481 -0.158713 0.131943 0.010648 290 H 20 Z 0.001805 -0.002440 0.088023 0.186939 0.088526 291 H 21 S 0.019398 0.029359 0.053109 -0.047135 -0.014118 292 H 21 S 0.004617 0.064274 0.095225 -0.135846 -0.070243 293 H 21 X 0.003911 -0.178517 -0.290040 0.068188 -0.021140 294 H 21 Y 0.038735 0.009235 0.055789 -0.052748 -0.012966 295 H 21 Z 0.075444 0.097106 0.246146 -0.152309 -0.047480 296 C 22 S 0.033057 0.020219 -0.030062 -0.021532 -0.043001 297 C 22 S 0.102607 0.060889 -0.070538 0.000691 -0.190025 298 C 22 S -0.051302 -0.014681 0.304159 0.803985 -1.308264 299 C 22 X 0.109548 0.108859 -0.121728 -0.145762 0.234758 300 C 22 Y 0.283378 0.229017 -0.150585 0.052784 -0.293493 301 C 22 Z 0.020553 -0.026298 -0.076928 0.017688 -0.043366 302 C 22 X 0.138437 0.258608 -0.274282 -0.388590 0.425697 303 C 22 Y 0.120573 0.285906 -0.095092 0.078101 -0.344415 304 C 22 Z 0.021128 0.011403 -0.114895 0.028944 -0.054290 305 C 22 XX 0.244185 0.139970 -0.224706 -0.034900 0.246828 306 C 22 YY 0.086101 0.021154 0.003518 0.160927 -0.401267 307 C 22 ZZ -0.330287 -0.161124 0.221188 -0.126027 0.154438 308 C 22 XY -0.087755 0.029314 -0.010072 -0.222222 0.416017 309 C 22 XZ -0.005906 -0.029240 0.054460 -0.035950 0.033818 310 C 22 YZ 0.123727 -0.052432 0.019762 -0.043782 -0.018254 311 H 23 S 0.083496 0.107626 -0.094642 -0.113039 0.079853 312 H 23 S 0.148852 0.191291 -0.196745 -0.161726 0.187188 313 H 23 X 0.161818 0.220725 -0.174287 -0.182839 0.227537 314 H 23 Y 0.103795 0.039743 -0.045004 0.008700 -0.047797 315 H 23 Z 0.052233 -0.044942 0.081793 -0.037850 0.016478 316 H 24 S -0.035772 -0.059521 0.056709 0.002633 0.035544 317 H 24 S -0.121621 -0.052544 0.160507 0.041342 -0.031705 318 H 24 X -0.177433 -0.139963 0.087906 0.036982 -0.109055 319 H 24 Y -0.164657 -0.119503 0.124666 0.180086 -0.204065 320 H 24 Z 0.236879 0.129161 -0.205289 -0.018786 0.002726 321 H 25 S -0.030028 -0.077754 -0.004359 0.009608 0.026440 322 H 25 S -0.086318 -0.087897 0.019097 0.045624 -0.066479 323 H 25 X -0.187346 -0.121584 0.223438 0.013790 -0.077579 324 H 25 Y -0.045957 -0.185402 0.128672 0.104320 -0.175072 325 H 25 Z -0.208861 -0.193476 0.152154 0.033938 -0.033858 326 C 26 S 0.037941 -0.005428 -0.033167 0.007600 0.101192 327 C 26 S 0.103951 -0.023377 -0.046713 0.106564 0.234933 328 C 26 S 0.553016 -0.675852 0.631371 1.434882 0.201405 329 C 26 X 0.019130 0.124448 -0.007018 -0.003069 0.110447 330 C 26 Y -0.057071 0.013840 0.093881 -0.056000 0.074499 331 C 26 Z 0.142006 -0.127155 0.043558 0.266812 -0.001658 332 C 26 X 0.008151 0.079449 -0.121635 0.209406 0.548724 333 C 26 Y -0.068955 -0.120039 -0.000252 -0.359271 0.189309 334 C 26 Z 0.017724 -0.268831 0.049036 0.596375 0.032200 335 C 26 XX -0.006008 -0.174209 -0.080693 -0.368214 -0.149044 336 C 26 YY -0.206307 0.289683 -0.038539 -0.115929 -0.133686 337 C 26 ZZ 0.212315 -0.115475 0.119232 0.484143 0.282731 338 C 26 XY 0.083119 -0.187409 -0.124370 0.056093 0.124549 339 C 26 XZ -0.001194 0.097613 0.061147 -0.097437 -0.000513 340 C 26 YZ 0.001285 0.147039 0.091558 0.143698 0.043577 341 H 27 S 0.015540 0.007306 -0.023201 -0.077823 0.108724 342 H 27 S -0.074713 0.017208 -0.106708 -0.059220 0.391883 343 H 27 X -0.013402 -0.081917 0.022807 -0.266990 -0.044563 344 H 27 Y -0.086559 0.193497 -0.027876 0.085226 0.083487 345 H 27 Z 0.186779 0.029941 0.138122 0.143638 0.172100 346 H 28 S 0.016588 0.060977 -0.002318 0.038908 -0.014586 347 H 28 S -0.049496 0.092753 -0.082093 0.182388 -0.080603 348 H 28 X -0.048059 0.080647 0.099129 -0.114887 -0.246642 349 H 28 Y 0.019851 0.003143 0.139560 0.003831 0.159823 350 H 28 Z 0.156190 -0.056262 0.089713 0.078656 0.091441 351 H 29 S -0.031837 0.002621 -0.008256 -0.134946 -0.081703 352 H 29 S -0.045046 -0.151795 0.029263 -0.168626 -0.238434 353 H 29 X 0.036352 0.187947 0.040554 0.186727 0.118909 354 H 29 Y -0.122252 0.244688 0.103588 0.061025 -0.215024 355 H 29 Z 0.143853 -0.111451 0.092462 0.194654 0.105441 356 C 30 S 0.016956 0.005840 -0.022479 0.054732 -0.055003 357 C 30 S 0.015770 -0.025032 -0.102583 0.023268 -0.074650 358 C 30 S -0.324982 -1.070930 -0.657228 -1.412966 1.016734 359 C 30 X 0.017057 -0.028761 0.030331 -0.024273 -0.067727 360 C 30 Y 0.109345 -0.045428 -0.031163 0.008786 -0.046023 361 C 30 Z 0.048653 0.122001 0.142573 0.187628 -0.013295 362 C 30 X 0.157067 -0.244642 -0.081571 0.076297 -0.158764 363 C 30 Y 0.507720 -0.101533 -0.344419 -0.182473 -0.315487 364 C 30 Z -0.066664 0.338504 0.371120 0.507299 -0.390410 365 C 30 XX -0.126878 0.380474 0.104124 0.311297 0.013136 366 C 30 YY 0.201764 -0.097857 0.180045 0.073670 -0.120764 367 C 30 ZZ -0.074886 -0.282617 -0.284169 -0.384967 0.107628 368 C 30 XY 0.087232 -0.028352 0.086554 -0.023081 0.052106 369 C 30 XZ -0.122676 0.160658 -0.105595 0.013606 -0.047768 370 C 30 YZ -0.071944 -0.163372 0.015745 -0.195759 0.008813 371 H 31 S 0.087888 -0.045015 -0.016782 0.054616 -0.138279 372 H 31 S 0.390314 -0.090835 -0.260219 -0.079412 -0.106666 373 H 31 X 0.077878 0.036101 0.100393 -0.048496 0.096984 374 H 31 Y 0.115676 0.055549 0.048307 0.057720 -0.105223 375 H 31 Z -0.002559 0.130601 0.105006 0.003699 0.007731 376 H 32 S 0.021638 -0.008266 0.054869 0.081886 -0.088606 377 H 32 S -0.074144 -0.075858 0.093545 0.104435 -0.019418 378 H 32 X -0.092623 0.162659 0.133834 0.168191 -0.015269 379 H 32 Y -0.162208 0.167407 0.056582 0.078795 0.126804 380 H 32 Z 0.115238 0.195742 -0.064789 0.216429 0.000332 381 H 33 S -0.025439 0.050352 0.070841 0.079242 -0.011756 382 H 33 S -0.186683 0.224310 0.152047 0.090075 0.180991 383 H 33 X 0.175248 -0.195737 -0.062784 -0.197158 -0.088583 384 H 33 Y -0.185787 0.115626 -0.043056 0.075343 0.047399 385 H 33 Z 0.142228 0.021340 0.066152 0.154108 -0.010693 386 H 34 S 0.007530 0.010350 0.041194 -0.008447 -0.018918 387 H 34 S 0.015310 0.023342 0.110003 -0.039878 -0.031515 388 H 34 X -0.010141 -0.126292 -0.124294 0.296956 0.093112 389 H 34 Y 0.059080 0.067660 0.158421 -0.074316 0.003481 390 H 34 Z -0.025734 -0.122932 -0.221134 0.164477 0.082056 391 F 35 S -0.005836 -0.010139 -0.004800 -0.005095 0.002660 392 F 35 S 0.003284 -0.031751 -0.003137 -0.012724 0.000814 393 F 35 S 0.187995 -0.044099 0.091483 -0.016561 -0.083629 394 F 35 X 0.099272 -0.016261 0.061966 -0.011075 -0.023239 395 F 35 Y 0.010696 -0.021175 -0.006214 0.001417 -0.012321 396 F 35 Z -0.026466 0.050537 0.003940 -0.005467 0.014837 397 F 35 X -0.015565 -0.100073 -0.049668 0.022787 -0.018425 398 F 35 Y -0.020586 0.043492 0.018612 -0.005261 0.015702 399 F 35 Z 0.030472 -0.119645 -0.028641 -0.000876 -0.019076 400 F 35 XX -0.006959 0.005657 -0.003684 -0.001605 -0.002889 401 F 35 YY -0.011188 0.009116 -0.008075 0.002364 -0.000182 402 F 35 ZZ 0.018147 -0.014773 0.011759 -0.000759 0.003071 403 F 35 XY 0.007583 -0.001724 -0.002424 -0.000279 -0.001055 404 F 35 XZ -0.002451 0.008793 0.000030 0.002942 -0.001001 405 F 35 YZ -0.003820 0.000552 -0.000957 0.003759 -0.007467 406 F 36 S -0.008790 -0.044901 -0.033832 0.000559 -0.013240 407 F 36 S -0.030735 -0.102457 -0.082440 0.002582 -0.029486 408 F 36 S -0.081677 0.112348 0.053752 0.024639 0.056445 409 F 36 X 0.027072 -0.004116 0.026801 0.001111 0.009476 410 F 36 Y 0.012380 0.002984 0.006439 0.014887 0.017076 411 F 36 Z -0.076542 0.017487 -0.036814 0.009881 0.006523 412 F 36 X 0.001630 -0.072133 -0.042015 -0.011071 -0.038631 413 F 36 Y -0.002786 -0.015635 -0.006035 -0.027898 -0.036469 414 F 36 Z 0.025064 -0.001698 0.017167 -0.009734 -0.012209 415 F 36 XX 0.003717 -0.001946 0.007391 -0.000637 0.009391 416 F 36 YY -0.004831 0.012850 -0.000898 0.000368 -0.005604 417 F 36 ZZ 0.001114 -0.010904 -0.006493 0.000269 -0.003786 418 F 36 XY 0.003597 0.004909 0.002101 0.002292 0.002071 419 F 36 XZ -0.029088 0.018500 -0.013812 0.006318 0.005071 420 F 36 YZ -0.004740 0.009229 -0.004769 -0.004394 0.001214 421 C 37 S 0.058923 -0.140146 -0.125392 0.133726 0.186798 422 C 37 S 0.091320 -0.239405 -0.281129 0.284352 0.398864 423 C 37 S -1.981393 1.547796 -1.117260 0.042775 -1.166105 424 C 37 X 0.161449 0.013657 0.224067 0.084469 0.178309 425 C 37 Y -0.106266 -0.225143 -0.367957 0.302365 0.002000 426 C 37 Z -0.011311 -0.044019 -0.072456 0.030776 -0.012018 427 C 37 X 0.766234 -0.759421 0.199739 -0.030580 0.659356 428 C 37 Y -0.864812 -0.551229 -0.780628 0.487091 -0.393743 429 C 37 Z 0.068942 -0.321229 -0.281407 0.036447 -0.028050 430 C 37 XX 0.013469 -0.034920 -0.008328 -0.153039 -0.066535 431 C 37 YY -0.173659 0.149004 -0.130333 0.199898 0.031331 432 C 37 ZZ 0.160190 -0.114085 0.138661 -0.046860 0.035204 433 C 37 XY 0.035619 0.089622 0.102856 -0.223329 -0.048622 434 C 37 XZ -0.031149 0.103503 0.035204 -0.188391 -0.038000 435 C 37 YZ -0.045339 0.097865 0.031236 -0.001701 0.009126 436 S 38 S 0.009752 -0.005723 0.005417 -0.011222 0.001105 437 S 38 S 0.067263 -0.039385 0.035549 -0.075352 0.005761 438 S 38 S 0.071631 -0.040765 0.030351 -0.071011 -0.000870 439 S 38 S -0.098164 0.019776 -0.386713 0.842769 0.128290 440 S 38 X -0.006555 -0.010121 -0.027773 0.015331 0.003541 441 S 38 Y -0.007920 -0.009600 -0.010002 -0.019105 -0.001879 442 S 38 Z -0.004240 0.000542 -0.000815 -0.001895 -0.004635 443 S 38 X -0.025386 -0.029494 -0.095332 0.058114 0.010297 444 S 38 Y -0.013658 -0.044385 -0.035414 -0.069349 0.004159 445 S 38 Z -0.017182 -0.001714 -0.004974 -0.012599 -0.020572 446 S 38 X -0.033433 0.099524 -0.021768 0.051840 0.075580 447 S 38 Y 0.100417 0.050511 0.214859 -0.363205 0.011302 448 S 38 Z 0.015593 -0.019470 -0.000213 0.020849 0.007508 449 S 38 XX -0.020668 -0.027642 -0.070435 0.012968 -0.014894 450 S 38 YY -0.021122 0.044302 0.039891 0.025863 -0.018544 451 S 38 ZZ 0.041790 -0.016660 0.030544 -0.038831 0.033438 452 S 38 XY 0.016022 -0.008441 -0.009891 0.010736 0.010187 453 S 38 XZ 0.002017 -0.010578 -0.001516 0.001375 -0.003957 454 S 38 YZ 0.003558 0.028956 0.013771 0.023237 0.019478 455 S 38 XX -0.001259 -0.002790 -0.005309 0.001042 -0.003763 456 S 38 YY -0.005519 0.002403 0.000222 0.002907 -0.003635 457 S 38 ZZ 0.006777 0.000387 0.005087 -0.003949 0.007398 458 S 38 XY 0.006237 -0.003283 -0.002964 0.002495 0.008366 459 S 38 XZ 0.000250 -0.003361 0.000191 -0.000288 -0.001376 460 S 38 YZ 0.000229 0.007838 0.004285 0.006474 0.004742 461 H 39 S -0.086912 -0.001868 0.002161 0.001842 -0.117518 462 H 39 S -0.205237 0.055477 -0.099575 -0.033480 -0.346329 463 H 39 X 0.091939 0.127762 0.117518 0.153319 0.301473 464 H 39 Y 0.002456 0.123735 0.064995 0.022397 -0.025007 465 H 39 Z -0.015952 0.022540 0.032943 0.078485 0.002944 356 357 358 359 360 2.4279 2.4543 2.4584 2.4874 2.4992 A A A A A 1 C 1 S -0.028827 -0.117652 0.096472 0.079189 0.007335 2 C 1 S -0.072363 -0.207440 0.124924 0.134518 0.018580 3 C 1 S -0.728387 1.342066 -3.353494 -1.100622 0.745738 4 C 1 X 0.287408 0.010294 0.205744 0.047284 -0.093469 5 C 1 Y -0.098027 -0.096666 0.055017 -0.025776 0.029949 6 C 1 Z -0.045400 -0.016747 -0.035399 -0.011106 -0.066461 7 C 1 X 0.765039 -0.759858 0.957195 1.122377 -0.274507 8 C 1 Y -0.653435 0.518995 -0.829012 -0.095943 0.466779 9 C 1 Z -0.031000 0.150568 -0.028243 -0.120674 0.204491 10 C 1 XX -0.326064 0.092708 0.058547 -0.238841 -0.114096 11 C 1 YY 0.288541 0.100265 -0.307386 0.133497 0.041657 12 C 1 ZZ 0.037523 -0.192973 0.248838 0.105344 0.072439 13 C 1 XY -0.199611 -0.120503 0.117549 -0.016908 0.108620 14 C 1 XZ -0.091065 -0.009062 -0.093468 0.018383 -0.249843 15 C 1 YZ -0.014511 -0.005418 -0.041992 0.049959 0.149668 16 C 2 S -0.058611 0.008765 -0.454896 -0.009411 0.116587 17 C 2 S -0.069416 0.029005 -0.840033 0.022967 0.241489 18 C 2 S 2.145756 -1.205351 7.123389 1.292638 -1.611927 19 C 2 X 0.140253 -0.118140 0.138895 0.037506 -0.049979 20 C 2 Y -0.172102 0.094116 0.425558 -0.101720 -0.162513 21 C 2 Z -0.004559 0.024618 0.029718 -0.044076 -0.015013 22 C 2 X 0.326001 -1.034734 1.093711 0.439904 -0.751935 23 C 2 Y 0.466187 -0.052677 3.009008 -0.312175 -0.937865 24 C 2 Z -0.016179 0.032441 -0.058029 -0.036528 -0.105111 25 C 2 XX 0.288433 -0.055453 0.229833 0.045973 -0.078470 26 C 2 YY -0.106356 0.133584 0.151409 0.126592 0.049465 27 C 2 ZZ -0.182077 -0.078131 -0.381242 -0.172566 0.029005 28 C 2 XY -0.179453 -0.070749 -0.206385 -0.161054 0.045948 29 C 2 XZ -0.099138 0.037625 -0.109005 -0.017576 -0.107990 30 C 2 YZ 0.234295 0.131054 0.241874 -0.086286 0.173828 31 C 3 S -0.040609 0.178487 0.194467 -0.010191 -0.240126 32 C 3 S -0.095894 0.316136 0.313704 -0.037914 -0.436649 33 C 3 S -0.443331 -1.978205 -3.602975 -1.598161 2.929616 34 C 3 X 0.224669 0.188451 -0.115981 -0.033315 -0.077866 35 C 3 Y -0.099595 0.114853 0.062852 0.102379 0.074637 36 C 3 Z 0.024230 0.092108 -0.026797 -0.042650 0.078633 37 C 3 X 1.602083 3.079226 0.196996 2.261104 0.711996 38 C 3 Y 1.470095 -0.605472 5.248301 -0.348108 -0.728554 39 C 3 Z 0.036383 0.140227 0.762016 -0.111271 0.091557 40 C 3 XX -0.150148 -0.112127 -0.158515 0.010710 0.269187 41 C 3 YY 0.069421 -0.158869 -0.191385 -0.008060 -0.047753 42 C 3 ZZ 0.080728 0.270996 0.349900 -0.002650 -0.221434 43 C 3 XY 0.138984 0.296059 0.294778 -0.016156 -0.102013 44 C 3 XZ -0.221942 -0.050878 -0.143315 -0.067668 -0.275709 45 C 3 YZ 0.259856 0.129031 0.295757 -0.245342 0.280915 46 C 4 S 0.382805 0.129220 0.284161 0.235588 0.112076 47 C 4 S 0.744720 0.276665 0.491407 0.461336 0.180572 48 C 4 S -3.101856 -0.904907 -4.093443 -1.976621 -1.474376 49 C 4 X 0.010383 0.012356 0.058970 -0.049001 0.047703 50 C 4 Y -0.003875 -0.045281 0.013719 -0.067869 -0.092014 51 C 4 Z 0.043978 -0.108578 0.069647 -0.047906 -0.048882 52 C 4 X 0.940793 0.541006 1.102883 0.312303 0.141380 53 C 4 Y -0.021578 2.127594 -1.020626 0.312111 0.814228 54 C 4 Z 1.531625 0.966171 -0.573987 0.808861 0.224185 55 C 4 XX -0.150906 -0.102144 0.070354 0.048205 0.028172 56 C 4 YY -0.097597 -0.001097 0.146881 -0.115661 0.129936 57 C 4 ZZ 0.248504 0.103241 -0.217236 0.067456 -0.158109 58 C 4 XY 0.105496 -0.305428 0.080165 0.217547 -0.054135 59 C 4 XZ -0.079069 0.189030 -0.053372 -0.237681 0.048874 60 C 4 YZ 0.190100 0.015221 -0.126037 -0.039651 -0.148256 61 S 5 S -0.003317 0.017466 -0.033639 0.013416 0.006293 62 S 5 S -0.017067 0.125957 -0.236913 0.100619 0.047480 63 S 5 S 0.007005 0.154074 -0.275306 0.140135 0.068839 64 S 5 S 0.346528 -0.078534 0.806810 -0.136895 0.046929 65 S 5 X -0.029567 -0.020462 -0.009499 -0.029572 -0.021732 66 S 5 Y -0.005705 0.033858 -0.040165 -0.000545 0.027430 67 S 5 Z -0.001620 0.003517 0.003730 0.001321 0.006947 68 S 5 X -0.107681 -0.054051 -0.058508 -0.106072 -0.077138 69 S 5 Y -0.022811 0.104209 -0.137752 -0.013885 0.102434 70 S 5 Z 0.003629 0.001537 0.023726 0.009554 0.019082 71 S 5 X -0.222351 0.063155 -0.365756 -0.018344 -0.017973 72 S 5 Y 0.139624 -0.157501 -0.044890 0.281689 0.099099 73 S 5 Z -0.042743 -0.028826 0.022666 0.015086 -0.030114 74 S 5 XX 0.021168 0.006281 0.049603 0.058612 0.040671 75 S 5 YY 0.042086 -0.016849 0.013296 -0.045490 -0.025368 76 S 5 ZZ -0.063254 0.010567 -0.062899 -0.013122 -0.015303 77 S 5 XY -0.063478 -0.036120 0.066772 -0.041142 -0.094398 78 S 5 XZ -0.007877 0.022902 -0.034179 -0.021577 0.023243 79 S 5 YZ -0.011579 -0.034166 0.003769 0.020068 -0.011355 80 S 5 XX -0.003410 -0.001418 0.013488 0.010168 0.004568 81 S 5 YY 0.010448 0.000421 -0.006259 -0.011026 -0.000456 82 S 5 ZZ -0.007038 0.000998 -0.007229 0.000858 -0.004112 83 S 5 XY -0.010344 0.000415 0.005913 -0.002077 -0.014022 84 S 5 XZ -0.001222 0.007718 -0.007390 -0.004151 0.010963 85 S 5 YZ -0.003499 -0.010364 -0.000128 0.005239 -0.005756 86 H 6 S -0.051059 -0.056260 0.198265 -0.104260 -0.222594 87 H 6 S 0.037903 -0.134511 0.782290 -0.109480 -0.415017 88 H 6 X -0.062912 0.025935 0.387140 -0.190277 -0.208743 89 H 6 Y -0.088786 0.002448 0.193099 0.005377 -0.110701 90 H 6 Z 0.085102 0.060945 0.104323 -0.028806 0.048963 91 C 7 S -0.124138 0.047334 -0.174718 0.066922 0.077633 92 C 7 S -0.266094 0.089833 -0.284255 0.173443 0.129560 93 C 7 S -0.843214 -1.326983 3.420936 0.306031 -1.241040 94 C 7 X 0.187135 0.142254 -0.178947 0.153683 -0.074992 95 C 7 Y 0.051706 -0.022648 -0.060164 -0.050492 0.023732 96 C 7 Z -0.051988 -0.065640 0.006050 -0.048950 -0.050852 97 C 7 X 0.658268 2.368225 -4.103662 -0.013021 0.805769 98 C 7 Y 0.544205 1.825580 -0.617325 0.272591 0.274065 99 C 7 Z -0.155750 -0.079026 0.565381 0.212083 -0.147306 100 C 7 XX 0.033314 0.143748 0.318688 0.068509 -0.069429 101 C 7 YY -0.033630 -0.044459 -0.070444 -0.110723 0.065056 102 C 7 ZZ 0.000316 -0.099289 -0.248243 0.042214 0.004373 103 C 7 XY -0.153985 0.019361 0.420205 0.198410 -0.310336 104 C 7 XZ -0.038684 0.234193 -0.220665 -0.240022 0.275941 105 C 7 YZ -0.001516 0.031363 -0.016299 -0.132465 0.185713 106 C 8 S 0.197057 -0.147922 -0.090684 -0.012102 0.009130 107 C 8 S 0.306450 -0.271184 -0.176566 -0.005589 0.020528 108 C 8 S -3.723880 0.875771 0.818195 -0.217091 0.386849 109 C 8 X -0.160578 -0.016962 -0.046446 0.024542 0.043191 110 C 8 Y 0.068724 0.163532 0.105793 0.232592 -0.024321 111 C 8 Z 0.019801 0.033057 0.027312 0.064458 0.005004 112 C 8 X -0.282459 0.289944 -0.335941 -0.826168 -0.209737 113 C 8 Y 1.500869 0.031886 -0.739201 1.118340 0.103257 114 C 8 Z 0.173364 -0.097924 -0.103772 0.097597 0.020457 115 C 8 XX -0.017426 -0.031840 0.004650 -0.011289 0.083440 116 C 8 YY -0.421277 0.204845 -0.061190 0.039774 -0.084013 117 C 8 ZZ 0.438703 -0.173005 0.056540 -0.028485 0.000573 118 C 8 XY -0.305442 0.187296 0.185427 0.770567 0.114910 119 C 8 XZ -0.015539 -0.017368 -0.010609 0.179130 0.041508 120 C 8 YZ -0.154500 0.072939 0.032169 0.062936 0.068330 121 C 9 S -0.150544 0.400583 -0.405300 -0.083751 -0.254857 122 C 9 S -0.286631 0.797447 -0.780646 -0.118668 -0.497733 123 C 9 S 1.214831 -2.590377 4.327889 2.128599 1.615098 124 C 9 X -0.008254 -0.026516 0.060281 -0.109036 0.128434 125 C 9 Y -0.214678 0.222914 -0.015060 0.019494 0.092554 126 C 9 Z 0.027064 0.075841 -0.105873 0.085915 -0.003772 127 C 9 X 0.176703 -0.043143 -1.214976 1.263609 0.268915 128 C 9 Y -1.089448 -1.889608 0.245242 0.171640 0.319330 129 C 9 Z -0.057985 -2.286519 1.178970 0.227198 -0.051685 130 C 9 XX -0.060356 -0.150627 -0.227474 -0.086389 -0.007334 131 C 9 YY 0.032849 -0.244583 -0.088358 0.054461 0.204453 132 C 9 ZZ 0.027507 0.395210 0.315832 0.031928 -0.197120 133 C 9 XY 0.210659 -0.182681 -0.072039 0.557384 -0.036984 134 C 9 XZ -0.087342 0.139800 -0.088438 -0.183161 0.003619 135 C 9 YZ -0.201173 0.207703 0.042601 -0.026293 0.031643 136 C 10 S -0.203698 -0.373754 -0.137885 -0.233665 0.276541 137 C 10 S -0.342194 -0.689622 -0.295036 -0.429500 0.501245 138 C 10 S 3.795127 5.064153 0.756165 2.339186 -2.280673 139 C 10 X 0.104722 -0.112492 -0.194959 -0.134595 0.187496 140 C 10 Y -0.119536 0.060882 -0.281762 -0.090881 0.259591 141 C 10 Z -0.042735 0.042818 0.000546 -0.009365 -0.019741 142 C 10 X 1.234504 1.656271 -2.329849 -0.230212 0.348960 143 C 10 Y -1.359731 0.149136 -5.723997 -1.176185 2.415824 144 C 10 Z -0.162406 -0.359909 0.555480 -0.219148 -0.017515 145 C 10 XX -0.087591 0.357520 -0.171439 -0.082226 0.173108 146 C 10 YY 0.369284 0.026680 0.093803 0.249232 -0.447566 147 C 10 ZZ -0.281692 -0.384200 0.077635 -0.167006 0.274458 148 C 10 XY 0.239926 0.039948 -0.308130 -0.048642 0.178048 149 C 10 XZ 0.048316 0.042475 0.165552 -0.246572 0.341887 150 C 10 YZ -0.095875 0.143453 -0.019493 -0.101598 0.194262 151 C 11 S 0.000284 0.006723 0.447193 -0.175592 -0.182790 152 C 11 S -0.003128 0.033983 0.837401 -0.346430 -0.302788 153 C 11 S -0.727274 1.588598 -5.934379 1.303185 3.088536 154 C 11 X 0.172968 0.208668 0.247376 -0.099104 -0.157595 155 C 11 Y -0.257951 -0.100132 -0.002225 -0.144583 0.279140 156 C 11 Z -0.062342 0.049742 -0.039451 -0.026854 -0.026568 157 C 11 X -0.012151 1.796275 -0.307124 1.803690 -0.503911 158 C 11 Y -2.740927 -1.959851 -4.963506 -2.067823 2.233722 159 C 11 Z -0.017420 0.089460 -0.430799 0.197094 -0.079537 160 C 11 XX 0.427162 0.114271 -0.069970 0.190508 -0.049800 161 C 11 YY -0.327885 0.005611 -0.188090 -0.091053 0.313043 162 C 11 ZZ -0.099277 -0.119882 0.258060 -0.099456 -0.263242 163 C 11 XY -0.169383 -0.224002 -0.030554 0.054140 0.123393 164 C 11 XZ -0.192319 -0.133792 -0.197381 0.188867 -0.412369 165 C 11 YZ 0.010752 0.065321 -0.002634 -0.023383 0.221827 166 C 12 S 0.028104 -0.103291 -0.004885 0.012137 0.002204 167 C 12 S 0.069298 -0.220976 -0.006435 0.028834 0.010857 168 C 12 S 0.265099 0.707693 -0.673040 -0.352340 0.420224 169 C 12 X 0.090707 -0.156930 -0.039353 -0.034165 0.064024 170 C 12 Y -0.029675 0.023372 0.012777 -0.002724 0.000242 171 C 12 Z -0.026946 0.009355 0.005156 -0.024786 0.036352 172 C 12 X 0.126578 -0.181700 0.264780 -0.199290 -0.182248 173 C 12 Y 0.168751 -0.233269 0.868549 0.141092 -0.337613 174 C 12 Z 0.158343 -0.016199 -0.256192 0.167680 -0.107152 175 C 12 XX 0.185610 -0.139026 0.151910 -0.074481 0.076561 176 C 12 YY -0.210870 0.076390 0.047010 0.002948 0.058936 177 C 12 ZZ 0.025260 0.062636 -0.198920 0.071534 -0.135497 178 C 12 XY 0.072167 -0.007215 0.158700 0.037120 -0.005469 179 C 12 XZ 0.026407 0.027512 0.117229 -0.079115 0.146250 180 C 12 YZ 0.063233 -0.069843 0.025848 0.098660 -0.159301 181 C 13 S 0.010290 0.129170 -0.069216 -0.026054 0.004548 182 C 13 S 0.023282 0.262442 -0.146237 -0.045875 0.003971 183 C 13 S 0.020183 -0.955336 0.454311 0.234630 -0.076089 184 C 13 X 0.022355 0.061146 -0.044329 0.011623 -0.011327 185 C 13 Y 0.020539 0.008281 -0.066491 -0.054047 0.049491 186 C 13 Z 0.043052 0.039000 -0.037021 0.008960 -0.004131 187 C 13 X 0.120597 -0.250521 0.070280 0.248221 0.032188 188 C 13 Y 0.102022 -0.018890 -0.072083 -0.012847 -0.358772 189 C 13 Z -0.213367 -0.410009 0.328528 0.067627 -0.145762 190 C 13 XX -0.017341 -0.078498 -0.011307 -0.013980 0.012499 191 C 13 YY -0.137333 0.048431 0.028049 0.044975 -0.040944 192 C 13 ZZ 0.154674 0.030067 -0.016743 -0.030995 0.028446 193 C 13 XY 0.013778 -0.017755 -0.071450 -0.098793 0.085640 194 C 13 XZ 0.115154 0.034765 -0.008466 0.004234 0.019353 195 C 13 YZ -0.010686 -0.000224 -0.043739 -0.032411 -0.050479 196 C 14 S -0.012198 -0.090007 0.040056 -0.022089 -0.002647 197 C 14 S -0.042770 -0.162387 0.069651 -0.068993 -0.009522 198 C 14 S -0.604083 1.082505 -0.883852 -0.013731 -0.354398 199 C 14 X -0.082776 0.025492 0.046512 -0.047143 -0.082036 200 C 14 Y -0.018183 0.022978 0.012870 -0.034235 -0.007909 201 C 14 Z -0.040828 -0.046248 0.009654 0.021344 -0.046216 202 C 14 X -0.456307 0.007653 -0.142083 -0.081875 0.036949 203 C 14 Y 0.322531 0.752445 0.318176 0.100138 -0.333432 204 C 14 Z 0.157594 0.176060 0.082699 -0.067676 0.215981 205 C 14 XX 0.064281 -0.038510 -0.028337 -0.146578 -0.000479 206 C 14 YY -0.126119 -0.038594 0.029655 0.071301 -0.055698 207 C 14 ZZ 0.061838 0.077104 -0.001318 0.075277 0.056178 208 C 14 XY -0.094328 0.096721 0.141380 0.072812 -0.080749 209 C 14 XZ -0.064140 -0.137417 -0.042053 0.060648 -0.125971 210 C 14 YZ -0.178606 -0.127337 -0.028988 0.143361 -0.271734 211 F 15 S -0.016557 -0.027030 -0.048980 0.014045 0.024301 212 F 15 S -0.043276 -0.065952 -0.095866 0.024292 0.066473 213 F 15 S -0.006559 0.022755 0.329210 -0.116590 0.000772 214 F 15 X -0.013920 -0.012243 0.020179 -0.020224 0.006038 215 F 15 Y 0.018476 0.026492 -0.015787 0.005602 0.003789 216 F 15 Z 0.036654 0.028594 -0.072418 0.039455 -0.079206 217 F 15 X 0.007670 0.016701 -0.030671 0.043267 0.015808 218 F 15 Y -0.055963 -0.036485 -0.018223 -0.025323 0.023073 219 F 15 Z -0.035378 -0.022943 -0.061723 0.014065 0.025951 220 F 15 XX 0.012377 0.009757 0.003391 -0.004424 0.004079 221 F 15 YY -0.011308 0.000493 0.014452 -0.005706 0.006228 222 F 15 ZZ -0.001069 -0.010250 -0.017843 0.010130 -0.010307 223 F 15 XY 0.002298 -0.006318 -0.014866 0.004232 0.000721 224 F 15 XZ 0.000720 -0.003189 -0.005332 0.005855 -0.005134 225 F 15 YZ -0.006188 -0.000528 -0.003059 -0.010483 0.019554 226 F 16 S -0.004370 0.020199 0.017515 0.034363 -0.014923 227 F 16 S 0.001674 0.040072 0.043212 0.086817 -0.047659 228 F 16 S 0.094745 -0.122659 -0.114244 -0.037637 -0.048270 229 F 16 X -0.005974 -0.034765 0.001291 0.016791 -0.008288 230 F 16 Y -0.059997 0.007834 0.011119 -0.033577 0.070883 231 F 16 Z 0.054372 -0.019378 0.019575 0.032540 -0.045359 232 F 16 X 0.090479 0.052575 0.038137 -0.000103 -0.033764 233 F 16 Y -0.001721 0.079183 -0.084127 -0.007341 -0.002044 234 F 16 Z -0.032385 0.006188 -0.049972 -0.051383 0.038947 235 F 16 XX -0.009117 -0.004630 -0.007145 -0.003508 0.012258 236 F 16 YY 0.013888 0.007729 -0.010704 -0.004320 0.003700 237 F 16 ZZ -0.004770 -0.003099 0.017849 0.007827 -0.015958 238 F 16 XY 0.011899 -0.006777 0.012552 -0.009851 0.008776 239 F 16 XZ -0.008600 -0.004947 0.009977 -0.001106 0.004726 240 F 16 YZ 0.010842 0.004378 -0.004075 -0.000860 -0.008400 241 F 17 S -0.041835 -0.004780 -0.025261 -0.003200 0.004302 242 F 17 S -0.081683 -0.002488 -0.056776 -0.018763 0.027409 243 F 17 S 0.301449 0.124445 0.148373 -0.076854 0.123095 244 F 17 X -0.007874 0.023379 0.055776 0.001486 -0.034555 245 F 17 Y 0.075479 0.061147 -0.014483 -0.034496 0.082959 246 F 17 Z 0.036167 0.025150 -0.025034 -0.053152 0.081918 247 F 17 X 0.002701 -0.060825 -0.160457 -0.009988 0.099744 248 F 17 Y -0.030318 -0.092511 0.034551 -0.050820 0.009545 249 F 17 Z 0.077689 0.023193 0.066066 0.016709 -0.034732 250 F 17 XX 0.013329 0.003187 0.013832 0.000063 -0.010959 251 F 17 YY 0.008426 0.007425 -0.008763 0.003753 0.005448 252 F 17 ZZ -0.021755 -0.010611 -0.005069 -0.003816 0.005511 253 F 17 XY 0.013912 0.013882 0.008254 -0.003415 0.009340 254 F 17 XZ 0.003952 0.000272 0.001174 -0.005223 -0.000950 255 F 17 YZ -0.010327 -0.004370 0.001653 0.008129 -0.018009 256 F 18 S -0.018279 -0.031744 0.019776 -0.015992 0.008543 257 F 18 S -0.050569 -0.089828 0.045215 -0.034178 0.006221 258 F 18 S -0.015318 -0.069930 -0.037041 0.079797 -0.152619 259 F 18 X -0.014379 -0.006842 0.007932 -0.005315 -0.028791 260 F 18 Y -0.006245 -0.023992 0.014081 -0.000145 -0.011238 261 F 18 Z 0.060291 0.101830 -0.001626 -0.011394 0.074754 262 F 18 X 0.002786 -0.034751 -0.026263 0.000254 0.028256 263 F 18 Y -0.031408 -0.043505 -0.039508 -0.000134 0.011792 264 F 18 Z -0.041033 -0.043583 0.011217 -0.018421 0.015360 265 F 18 XX 0.018767 0.008630 0.004733 0.008383 -0.007006 266 F 18 YY -0.018552 -0.013769 -0.012782 0.005590 -0.014066 267 F 18 ZZ -0.000216 0.005139 0.008049 -0.013973 0.021072 268 F 18 XY -0.008088 -0.003113 -0.015075 0.006583 -0.004336 269 F 18 XZ 0.004121 0.007828 -0.000622 -0.005946 0.003272 270 F 18 YZ -0.004543 0.000124 -0.002742 -0.001186 0.009890 271 C 19 S 0.039540 -0.034825 -0.009377 -0.051536 0.015976 272 C 19 S 0.129988 -0.101766 -0.023260 -0.183067 0.013813 273 C 19 S 0.266410 -0.383433 0.296847 -0.804255 -0.290756 274 C 19 X -0.154017 0.095314 -0.054264 0.031330 -0.037624 275 C 19 Y -0.260111 0.125860 0.057460 0.240448 0.046081 276 C 19 Z -0.085689 0.061581 0.015540 -0.039621 -0.015075 277 C 19 X 0.061256 -0.081600 -0.111028 0.235905 0.031289 278 C 19 Y -0.204587 0.224184 -0.011103 0.236398 0.091999 279 C 19 Z 0.002677 0.082582 0.058570 -0.025477 -0.010818 280 C 19 XX -0.060215 0.020811 0.000934 0.054329 0.009700 281 C 19 YY 0.316821 0.039268 -0.013475 -0.348383 -0.172263 282 C 19 ZZ -0.256606 -0.060079 0.012541 0.294054 0.162563 283 C 19 XY 0.098720 -0.259274 -0.023242 -0.202503 0.037444 284 C 19 XZ 0.035749 -0.017211 0.114684 0.052481 0.139697 285 C 19 YZ 0.056725 0.019476 0.019026 -0.078255 -0.005636 286 H 20 S 0.016943 0.006264 0.031992 0.098582 0.068471 287 H 20 S -0.141313 0.100683 0.083250 0.038460 0.031228 288 H 20 X 0.012208 0.038240 -0.075090 -0.177545 -0.078442 289 H 20 Y 0.031550 0.118105 -0.012029 0.038978 -0.011824 290 H 20 Z -0.005908 -0.013247 -0.094477 -0.028226 -0.076380 291 H 21 S -0.013160 0.031018 -0.008751 -0.024202 -0.013229 292 H 21 S 0.029542 -0.022815 -0.013958 -0.045333 -0.007999 293 H 21 X 0.033662 0.128558 0.068241 0.104874 0.054309 294 H 21 Y -0.088279 -0.083627 -0.003421 0.173845 0.109667 295 H 21 Z -0.098190 -0.043333 -0.050960 0.074042 0.048592 296 C 22 S -0.050740 -0.046049 -0.030028 -0.022382 0.021774 297 C 22 S -0.138131 -0.108281 -0.013195 -0.054028 0.054121 298 C 22 S -0.518096 0.275276 0.461755 -0.162261 0.180049 299 C 22 X 0.096019 -0.007610 -0.163536 -0.002044 0.058744 300 C 22 Y -0.089474 -0.086847 0.090491 -0.011925 0.039293 301 C 22 Z -0.069933 -0.006989 -0.048908 0.037637 0.008373 302 C 22 X 0.089288 -0.063631 -0.379555 -0.217719 0.008736 303 C 22 Y -0.129474 0.032658 0.033204 -0.122118 0.112128 304 C 22 Z -0.139437 -0.055257 -0.053697 0.049957 -0.156414 305 C 22 XX 0.117390 -0.051444 0.123672 -0.141231 -0.177955 306 C 22 YY -0.177509 -0.015334 0.074403 0.016610 0.017766 307 C 22 ZZ 0.060119 0.066778 -0.198075 0.124621 0.160189 308 C 22 XY 0.166642 0.052460 -0.195597 0.075103 0.021941 309 C 22 XZ 0.101695 -0.003015 0.021895 0.049911 0.186139 310 C 22 YZ 0.209738 -0.062035 0.237270 0.062526 0.576634 311 H 23 S 0.021358 -0.047670 -0.123270 -0.028158 0.032543 312 H 23 S 0.056625 -0.018035 -0.171779 -0.068548 0.070184 313 H 23 X 0.102295 -0.042329 -0.101981 -0.032227 -0.014674 314 H 23 Y -0.003334 0.001275 -0.067184 0.064364 0.074575 315 H 23 Z 0.192127 -0.009364 0.148821 0.032448 0.379759 316 H 24 S 0.015312 0.030602 0.035119 -0.015351 -0.036314 317 H 24 S 0.060753 0.023750 0.084911 0.027036 0.046141 318 H 24 X -0.115092 0.028452 -0.104253 0.107697 0.026429 319 H 24 Y -0.208063 0.057099 -0.018541 -0.081752 -0.301270 320 H 24 Z -0.017526 -0.054328 -0.021705 -0.082950 0.006998 321 H 25 S -0.023180 0.000199 -0.020418 0.047160 -0.038299 322 H 25 S -0.091254 -0.000924 0.011476 0.065343 -0.072675 323 H 25 X 0.036770 0.033290 0.008977 0.087307 0.173955 324 H 25 Y 0.009099 0.011961 0.177518 -0.023908 0.268364 325 H 25 Z -0.012989 0.058485 -0.012257 0.118526 0.044772 326 C 26 S 0.019559 -0.137719 0.020767 -0.152232 -0.028248 327 C 26 S 0.027703 -0.334227 0.004289 -0.294175 -0.037889 328 C 26 S -0.476285 -0.910865 -0.344943 0.535264 -0.036564 329 C 26 X -0.147398 0.064588 0.094755 -0.271753 0.045804 330 C 26 Y -0.085104 0.112588 -0.100914 -0.136268 -0.011986 331 C 26 Z 0.028532 -0.199138 -0.190506 -0.075679 -0.032779 332 C 26 X -0.034397 0.257111 0.301768 -0.318017 0.113891 333 C 26 Y -0.591930 0.320547 0.306396 -0.039809 0.006954 334 C 26 Z -0.073178 -0.252378 -0.197665 0.291715 0.127244 335 C 26 XX -0.056459 0.021878 0.080469 -0.019732 -0.043387 336 C 26 YY 0.108579 0.363996 -0.026058 0.108176 0.114024 337 C 26 ZZ -0.052120 -0.385874 -0.054410 -0.088443 -0.070637 338 C 26 XY -0.108783 0.082010 -0.142382 0.010662 0.089492 339 C 26 XZ 0.035850 -0.149109 0.098649 -0.018790 -0.139261 340 C 26 YZ -0.044897 -0.017327 0.019461 0.017484 0.027750 341 H 27 S -0.061165 0.103492 0.138447 -0.178990 -0.022881 342 H 27 S -0.312432 0.256213 0.252406 -0.318414 0.062621 343 H 27 X -0.176645 0.113077 0.050848 -0.186708 -0.044983 344 H 27 Y 0.016864 0.232281 -0.054802 -0.163326 0.115039 345 H 27 Z -0.139833 -0.171358 0.070213 -0.145514 -0.165422 346 H 28 S 0.153275 -0.103864 0.021896 -0.067895 -0.043458 347 H 28 S 0.349041 -0.150374 -0.034875 0.107499 0.038774 348 H 28 X 0.100119 -0.206594 0.031966 0.085022 -0.110575 349 H 28 Y -0.091511 -0.138915 0.013492 -0.060926 -0.068433 350 H 28 Z 0.035110 -0.248933 0.117447 -0.032358 -0.168664 351 H 29 S 0.026319 -0.041459 -0.037428 0.005200 -0.083919 352 H 29 S -0.050892 -0.049894 -0.100214 0.216178 -0.024936 353 H 29 X -0.011634 -0.111453 0.101292 -0.141614 0.046650 354 H 29 Y 0.298120 -0.062214 -0.054672 0.161968 -0.051956 355 H 29 Z -0.076305 -0.100818 -0.038229 -0.044377 -0.052128 356 C 30 S 0.031994 -0.173586 0.119370 -0.043201 0.036593 357 C 30 S 0.027540 -0.358633 0.284681 -0.094083 0.097337 358 C 30 S -0.706601 -0.046475 0.859454 -0.075599 0.091297 359 C 30 X 0.037142 -0.149213 0.033029 0.126505 0.001953 360 C 30 Y 0.095128 -0.017701 -0.051084 -0.054682 -0.116706 361 C 30 Z -0.001986 0.064602 -0.251178 0.002811 -0.023514 362 C 30 X -0.112975 -0.243376 -0.120534 0.051231 0.275623 363 C 30 Y 0.056666 0.262704 0.213569 0.015855 -0.118310 364 C 30 Z 0.351185 -0.091760 -0.199235 -0.046991 -0.070455 365 C 30 XX 0.144739 -0.092502 -0.168039 0.073435 -0.108301 366 C 30 YY 0.096419 0.399168 -0.045124 -0.025251 -0.080385 367 C 30 ZZ -0.241158 -0.306665 0.213163 -0.048184 0.188687 368 C 30 XY -0.064283 -0.150711 0.081191 -0.061647 -0.081360 369 C 30 XZ 0.032162 0.154733 -0.070154 0.045318 0.110446 370 C 30 YZ -0.011359 0.088362 0.093657 -0.093132 0.030352 371 H 31 S 0.055464 0.006308 0.043275 -0.050679 -0.050818 372 H 31 S -0.032970 0.190743 -0.051644 0.006338 -0.089942 373 H 31 X -0.041472 -0.036366 0.091840 -0.081939 -0.122405 374 H 31 Y 0.151830 0.174549 -0.074713 -0.007249 -0.153468 375 H 31 Z 0.048318 0.173066 -0.028662 0.045944 -0.012820 376 H 32 S 0.005061 -0.176933 -0.035185 0.045602 0.079539 377 H 32 S -0.069052 -0.291338 -0.044875 0.035442 0.201803 378 H 32 X 0.061868 -0.113844 -0.058980 0.146404 -0.035251 379 H 32 Y -0.033488 -0.194581 -0.062109 -0.088337 -0.052197 380 H 32 Z 0.025423 0.323869 -0.236944 0.061913 -0.054035 381 H 33 S 0.021172 -0.014473 -0.062058 -0.043325 -0.030813 382 H 33 S -0.016801 0.028831 -0.018440 -0.034381 -0.074474 383 H 33 X 0.007496 -0.025669 0.129618 -0.025951 -0.031477 384 H 33 Y 0.021298 -0.265875 -0.073772 0.114294 0.094438 385 H 33 Z 0.042630 0.061749 -0.099205 0.064594 -0.088124 386 H 34 S 0.026127 -0.031211 -0.031010 0.055473 0.026205 387 H 34 S 0.022649 -0.060471 -0.065488 0.048207 0.005525 388 H 34 X 0.038330 0.077202 -0.058068 0.064493 -0.056854 389 H 34 Y -0.133937 -0.070892 -0.020538 0.081292 0.059002 390 H 34 Z 0.007417 0.082762 0.038285 -0.120054 -0.057730 391 F 35 S 0.013480 0.014598 -0.007868 -0.018015 0.003834 392 F 35 S 0.039178 0.041599 -0.019327 -0.039078 0.009340 393 F 35 S 0.043252 0.058874 -0.022724 0.092201 0.001357 394 F 35 X 0.061375 0.040964 -0.002891 0.014672 0.003778 395 F 35 Y -0.005494 0.006025 -0.027045 0.001877 -0.019917 396 F 35 Z -0.014235 -0.027475 0.005070 0.014846 -0.005807 397 F 35 X -0.045729 0.016996 -0.004287 -0.014197 -0.011671 398 F 35 Y 0.025976 -0.000605 0.077962 -0.013578 0.087682 399 F 35 Z 0.029462 0.051616 -0.028771 -0.054410 0.025679 400 F 35 XX 0.001094 0.003611 -0.001851 -0.000180 0.001731 401 F 35 YY -0.012441 0.000676 -0.000229 0.006035 -0.006154 402 F 35 ZZ 0.011347 -0.004287 0.002080 -0.005856 0.004423 403 F 35 XY -0.004667 -0.002265 -0.013287 0.008449 -0.020116 404 F 35 XZ -0.000725 -0.002624 0.003614 0.005695 -0.004642 405 F 35 YZ -0.003522 -0.000841 -0.008731 -0.004411 0.010794 406 F 36 S -0.006761 0.035244 -0.028383 -0.019113 0.012377 407 F 36 S -0.027120 0.078671 -0.062409 -0.042077 0.025561 408 F 36 S -0.106772 -0.134606 0.133041 0.065516 -0.072447 409 F 36 X -0.004299 -0.011457 0.023897 0.011299 0.001142 410 F 36 Y 0.013843 0.012178 0.013841 0.004375 -0.029652 411 F 36 Z -0.070572 -0.011565 0.007477 0.008713 -0.016411 412 F 36 X 0.038143 0.064047 -0.066938 -0.034138 0.005685 413 F 36 Y -0.007495 -0.012529 -0.032322 -0.008459 0.058198 414 F 36 Z 0.013035 0.002561 0.002999 0.005426 0.000097 415 F 36 XX 0.000285 -0.015590 0.009702 -0.002579 -0.000288 416 F 36 YY -0.002908 0.006485 -0.004797 0.004947 -0.002479 417 F 36 ZZ 0.002624 0.009104 -0.004905 -0.002368 0.002767 418 F 36 XY 0.003636 0.001548 0.003796 -0.000756 0.005457 419 F 36 XZ -0.020306 -0.011473 0.007191 0.001551 -0.003373 420 F 36 YZ -0.004156 -0.001203 0.004739 0.004963 0.002506 421 C 37 S -0.321675 0.227138 0.120039 0.250118 0.239831 422 C 37 S -0.640374 0.482752 0.298035 0.519415 0.469179 423 C 37 S 3.102175 0.404578 -0.712889 -0.254144 -1.269058 424 C 37 X -0.264336 -0.093901 0.107247 0.366231 0.128334 425 C 37 Y 0.278789 -0.198270 0.031638 0.294190 0.017085 426 C 37 Z 0.058217 -0.035184 -0.010785 0.084813 0.039243 427 C 37 X -1.314372 -0.507610 0.715220 0.964772 0.904034 428 C 37 Y 1.452574 -0.187135 -0.252121 1.785075 0.520819 429 C 37 Z 0.061702 0.162008 -0.103091 0.370920 0.144258 430 C 37 XX 0.002740 -0.114787 -0.013140 -0.115148 -0.012285 431 C 37 YY 0.238504 0.075306 0.137240 0.203828 -0.074352 432 C 37 ZZ -0.241244 0.039481 -0.124100 -0.088680 0.086637 433 C 37 XY -0.149676 -0.087593 -0.027739 0.058466 -0.036483 434 C 37 XZ -0.031973 0.033735 0.116631 -0.140308 -0.144052 435 C 37 YZ -0.003902 0.039180 0.117529 -0.123726 -0.036774 436 S 38 S -0.013264 0.003531 0.002012 0.018490 0.010357 437 S 38 S -0.090943 0.022263 0.011893 0.134022 0.072671 438 S 38 S -0.092546 0.016796 0.005001 0.171844 0.081633 439 S 38 S 0.342863 -0.750100 -0.184965 -0.752210 -0.334055 440 S 38 X 0.029923 -0.006598 0.011841 -0.000925 -0.014578 441 S 38 Y 0.006101 0.043472 0.003611 0.001233 -0.003143 442 S 38 Z 0.001764 0.002224 -0.004467 0.001983 -0.001883 443 S 38 X 0.104735 -0.031536 0.036382 -0.013396 -0.040724 444 S 38 Y -0.005752 0.152792 0.020578 0.024145 -0.001324 445 S 38 Z 0.009257 0.006278 -0.017620 0.018953 -0.012508 446 S 38 X 0.009701 -0.233311 0.130604 -0.408319 -0.071871 447 S 38 Y -0.252614 0.245035 0.100913 -0.002010 0.066184 448 S 38 Z 0.015727 0.008990 -0.027778 -0.042420 0.000943 449 S 38 XX 0.049724 0.039501 -0.030351 -0.021702 -0.040151 450 S 38 YY 0.015742 -0.043079 0.000824 0.002146 0.009019 451 S 38 ZZ -0.065465 0.003579 0.029527 0.019556 0.031131 452 S 38 XY -0.061974 0.110125 -0.009588 0.133577 -0.051001 453 S 38 XZ -0.005570 -0.007498 -0.007521 0.029598 -0.001252 454 S 38 YZ -0.023170 0.009311 0.018299 -0.013268 0.025838 455 S 38 XX 0.004116 0.007616 -0.006247 -0.002038 -0.005547 456 S 38 YY 0.008624 -0.005776 -0.000033 -0.005868 -0.000135 457 S 38 ZZ -0.012740 -0.001840 0.006281 0.007906 0.005682 458 S 38 XY -0.013184 0.021647 0.008468 0.040502 -0.015703 459 S 38 XZ -0.001685 -0.003599 -0.002064 0.010106 -0.000768 460 S 38 YZ -0.005755 0.002982 0.003450 -0.003901 0.005862 461 H 39 S 0.177546 0.101835 -0.206795 -0.166211 -0.093062 462 H 39 S 0.499381 0.082859 -0.312109 -0.410643 -0.277331 463 H 39 X -0.365343 0.122241 0.269909 0.342998 0.167980 464 H 39 Y 0.069658 0.099761 -0.025449 -0.437935 -0.165700 465 H 39 Z 0.029126 -0.055634 -0.070540 -0.027635 0.043730 361 362 363 364 365 2.5222 2.5290 2.5423 2.5678 2.5718 A A A A A 1 C 1 S -0.256447 0.074029 0.109836 -0.059994 -0.036614 2 C 1 S -0.471097 0.110713 0.181800 -0.106985 -0.065316 3 C 1 S 2.991490 -1.866408 -1.783636 2.374729 -0.287987 4 C 1 X 0.030238 0.174074 0.104873 -0.022039 0.054690 5 C 1 Y -0.011293 -0.006984 -0.005150 0.041082 -0.051342 6 C 1 Z 0.003279 0.031717 0.019367 -0.017858 -0.032784 7 C 1 X -2.447144 1.476012 1.380581 -1.550383 0.262883 8 C 1 Y 0.509268 -0.478249 -0.445787 -0.705588 0.080945 9 C 1 Z 0.209775 -0.182310 -0.145233 0.170577 0.093999 10 C 1 XX 0.509045 -0.335581 -0.336418 0.303113 -0.112457 11 C 1 YY -0.272673 0.191356 0.184870 -0.283556 0.131931 12 C 1 ZZ -0.236373 0.144224 0.151548 -0.019557 -0.019474 13 C 1 XY -0.011682 -0.135494 -0.077588 -0.130688 -0.095658 14 C 1 XZ 0.065924 0.241069 0.196657 -0.199666 -0.209661 15 C 1 YZ -0.112812 -0.161651 -0.124230 0.138317 0.194027 16 C 2 S 0.111786 -0.150717 -0.139797 -0.016562 -0.102320 17 C 2 S 0.159567 -0.196467 -0.204882 -0.081564 -0.176256 18 C 2 S -3.873869 4.930683 3.918840 -3.183235 1.259596 19 C 2 X -0.205382 0.099040 0.175138 -0.001588 0.015020 20 C 2 Y 0.031807 0.038945 0.026868 0.098771 0.055189 21 C 2 Z 0.065304 0.028231 0.027539 -0.037218 -0.057624 22 C 2 X -1.848799 0.704322 0.602743 -2.573491 0.380654 23 C 2 Y -0.235708 1.230206 0.833333 -0.185582 0.587665 24 C 2 Z 0.139485 0.032855 -0.035957 -0.014181 -0.077330 25 C 2 XX 0.216388 0.127384 0.044066 -0.016175 -0.052377 26 C 2 YY -0.456406 0.281763 0.274032 -0.070254 0.169823 27 C 2 ZZ 0.240018 -0.409148 -0.318099 0.086428 -0.117446 28 C 2 XY 0.231338 -0.305930 -0.246201 0.032806 -0.100729 29 C 2 XZ 0.141011 0.085704 0.084296 -0.129948 -0.215415 30 C 2 YZ 0.080355 0.128538 0.120188 -0.133346 -0.132514 31 C 3 S -0.010303 -0.168054 -0.162066 0.193470 0.168235 32 C 3 S 0.015488 -0.370817 -0.351028 0.346477 0.319470 33 C 3 S 2.615694 -0.759157 -0.287253 -5.273864 -1.311450 34 C 3 X 0.098922 0.137304 0.150449 0.359382 0.073591 35 C 3 Y -0.338332 0.098897 0.122894 -0.068776 0.169661 36 C 3 Z 0.001081 0.003853 0.035115 0.042082 0.016376 37 C 3 X 0.073769 -0.043290 0.540795 6.934438 0.000539 38 C 3 Y 0.177715 2.909767 2.201561 -1.981067 0.249042 39 C 3 Z -0.076562 0.263405 0.302180 0.295151 0.124299 40 C 3 XX 0.099856 0.027849 -0.083072 -0.512266 -0.113824 41 C 3 YY -0.067226 -0.196498 -0.048403 0.265485 -0.030086 42 C 3 ZZ -0.032630 0.168649 0.131475 0.246781 0.143911 43 C 3 XY -0.054855 0.177360 0.243885 0.480310 0.120282 44 C 3 XZ -0.058671 0.086511 0.007770 0.144193 0.226617 45 C 3 YZ 0.136635 0.079398 0.128373 -0.077031 -0.105164 46 C 4 S 0.030653 0.175163 0.246689 0.327343 -0.238134 47 C 4 S 0.051079 0.325843 0.445885 0.609295 -0.424807 48 C 4 S -0.780982 -1.856001 -2.650789 -3.381959 2.492851 49 C 4 X 0.014393 -0.001521 0.002401 -0.071978 -0.007713 50 C 4 Y -0.032162 0.090947 0.085411 0.000597 -0.025485 51 C 4 Z -0.028115 0.057182 0.059004 0.031855 -0.019030 52 C 4 X 0.137414 1.142803 0.990744 1.351865 -0.087526 53 C 4 Y 0.797346 -0.757418 -0.743124 1.247753 1.677876 54 C 4 Z 0.635322 -0.177334 0.136388 0.204501 0.102532 55 C 4 XX 0.034190 -0.081999 -0.009626 -0.139337 -0.232007 56 C 4 YY 0.072114 0.043702 0.035148 -0.006713 0.156693 57 C 4 ZZ -0.106304 0.038297 -0.025521 0.146049 0.075314 58 C 4 XY 0.017246 -0.159494 -0.276346 -0.313741 -0.316947 59 C 4 XZ 0.196576 0.034517 0.072506 -0.156131 0.068916 60 C 4 YZ -0.100589 0.024250 0.086426 -0.036016 0.117697 61 S 5 S -0.016625 0.015556 0.002770 0.006408 0.004872 62 S 5 S -0.117882 0.113268 0.019186 0.049526 0.031153 63 S 5 S -0.137313 0.145976 0.016390 0.069914 0.020012 64 S 5 S 0.621786 -0.550501 -0.233124 0.348024 -0.083658 65 S 5 X -0.009856 -0.003628 0.000370 -0.016895 0.004306 66 S 5 Y 0.014329 -0.022639 -0.026882 -0.006350 -0.009004 67 S 5 Z 0.001218 -0.003941 -0.003039 0.001274 -0.000007 68 S 5 X -0.061275 -0.000685 0.021507 -0.047039 0.040634 69 S 5 Y 0.054452 -0.089211 -0.104018 -0.037602 -0.041601 70 S 5 Z 0.000923 -0.016970 -0.015363 0.002725 -0.005142 71 S 5 X -0.107760 0.122541 0.005627 -0.020492 0.022415 72 S 5 Y -0.183471 -0.006449 0.143357 -0.434007 -0.035208 73 S 5 Z 0.009647 -0.052381 -0.041671 -0.010073 -0.001509 74 S 5 XX 0.079801 -0.043022 -0.053140 -0.040028 -0.057980 75 S 5 YY -0.015991 0.025600 0.048508 0.030560 0.021778 76 S 5 ZZ -0.063810 0.017421 0.004632 0.009468 0.036202 77 S 5 XY -0.049874 0.052186 0.031569 0.093972 0.048545 78 S 5 XZ -0.005624 0.013574 0.029915 -0.001382 0.024907 79 S 5 YZ -0.010447 -0.021781 -0.011909 -0.001647 -0.010544 80 S 5 XX 0.020489 -0.013314 -0.015986 -0.006242 -0.018340 81 S 5 YY -0.004452 0.005397 0.014043 -0.001807 0.013492 82 S 5 ZZ -0.016037 0.007917 0.001944 0.008049 0.004847 83 S 5 XY -0.003265 0.002913 -0.001801 0.017702 0.005355 84 S 5 XZ 0.000349 0.001319 0.006114 -0.000465 0.006306 85 S 5 YZ -0.004783 -0.003489 -0.000163 0.000997 -0.002294 86 H 6 S -0.012096 -0.131665 -0.080313 -0.031429 0.055972 87 H 6 S -0.192402 0.110694 0.098246 -0.336944 0.182572 88 H 6 X 0.323475 -0.147949 -0.118195 0.288200 -0.010333 89 H 6 Y -0.245984 -0.037083 0.086573 0.113962 0.060198 90 H 6 Z 0.056446 0.071299 0.087611 -0.085662 -0.116591 91 C 7 S 0.151641 -0.208558 -0.069215 -0.066910 0.001496 92 C 7 S 0.244791 -0.410782 -0.158396 -0.155426 0.011356 93 C 7 S -3.991758 1.514242 -1.120325 0.190472 0.644641 94 C 7 X 0.155683 -0.016797 0.071215 0.150466 -0.081775 95 C 7 Y 0.076328 0.082781 0.095329 0.115178 -0.079907 96 C 7 Z -0.045361 0.011477 -0.002701 -0.005658 0.049742 97 C 7 X 3.321743 -0.861072 0.830097 -0.109166 1.801046 98 C 7 Y 1.609618 -0.831121 0.285613 -0.209251 0.320877 99 C 7 Z -0.511372 -0.067036 -0.126914 0.125133 -0.078927 100 C 7 XX -0.088653 -0.101544 -0.159327 -0.239563 0.046346 101 C 7 YY -0.127794 0.090711 0.169132 0.103896 0.089616 102 C 7 ZZ 0.216447 0.010833 -0.009805 0.135667 -0.135962 103 C 7 XY -0.433897 -0.132998 -0.353890 -0.217237 0.116086 104 C 7 XZ 0.051995 -0.242190 0.106700 -0.067541 0.225331 105 C 7 YZ 0.068487 -0.033705 0.030172 -0.042921 -0.076608 106 C 8 S 0.161817 -0.018750 0.175949 -0.067748 0.296834 107 C 8 S 0.275637 -0.034498 0.309809 -0.114918 0.543737 108 C 8 S -2.830369 0.394537 -1.823120 1.217341 -3.871566 109 C 8 X -0.031727 0.041849 0.000508 0.077141 -0.046340 110 C 8 Y 0.078921 -0.053419 -0.034181 -0.049662 -0.082136 111 C 8 Z 0.012445 0.042866 -0.052426 -0.010728 -0.015856 112 C 8 X -0.327854 -0.171215 -0.426107 -0.151778 -0.312819 113 C 8 Y 2.461393 -0.415351 1.627440 -0.730971 2.954195 114 C 8 Z 0.235943 -0.200074 0.268092 -0.065814 0.260720 115 C 8 XX 0.073014 0.059259 0.137831 0.099512 0.070081 116 C 8 YY -0.268848 -0.125335 -0.247579 0.027834 -0.337159 117 C 8 ZZ 0.195834 0.066076 0.109749 -0.127347 0.267078 118 C 8 XY 0.333776 -0.134397 0.251487 -0.040068 0.229777 119 C 8 XZ 0.034006 -0.006795 -0.045658 0.007731 0.006642 120 C 8 YZ 0.065947 0.444321 -0.462125 -0.019971 0.226367 121 C 9 S -0.001899 -0.066128 -0.246144 -0.106780 0.361319 122 C 9 S -0.060781 -0.130670 -0.480428 -0.168481 0.602387 123 C 9 S -1.590731 1.056362 2.013469 1.632278 -5.646317 124 C 9 X -0.121928 0.113973 -0.055549 0.048206 -0.253987 125 C 9 Y -0.036127 -0.073253 -0.208847 0.037305 -0.073431 126 C 9 Z -0.061469 -0.104231 -0.058699 -0.007115 0.024659 127 C 9 X 0.335866 0.459884 0.607844 0.491644 -0.013242 128 C 9 Y -1.668860 0.697770 0.070098 0.597402 -1.200177 129 C 9 Z -0.665969 1.692978 0.558973 0.437382 -1.807042 130 C 9 XX -0.113277 0.017216 -0.149880 -0.000885 0.294210 131 C 9 YY 0.042267 0.079547 0.057820 0.100012 -0.128209 132 C 9 ZZ 0.071011 -0.096763 0.092060 -0.099127 -0.166001 133 C 9 XY -0.088541 -0.066451 -0.195467 0.070822 -0.290708 134 C 9 XZ 0.014738 0.022043 0.285007 -0.037519 0.252484 135 C 9 YZ 0.075322 0.118068 -0.004450 0.075195 -0.044549 136 C 10 S -0.032530 0.117283 0.005162 0.009287 -0.128007 137 C 10 S 0.018767 0.195692 0.012954 -0.002256 -0.250501 138 C 10 S 4.024038 -1.867907 0.922173 -0.618893 1.669426 139 C 10 X 0.158454 0.045772 0.148565 0.127253 -0.038750 140 C 10 Y -0.011427 0.138891 0.245481 0.371902 -0.018949 141 C 10 Z -0.047151 -0.034212 -0.014592 -0.009632 0.055862 142 C 10 X 3.280301 -0.809240 0.987170 -1.172946 0.353241 143 C 10 Y 2.147862 -0.218338 0.526994 0.703774 0.278367 144 C 10 Z -0.447913 0.164000 -0.126722 -0.151692 -0.101966 145 C 10 XX 0.242327 0.007041 0.096677 0.145828 -0.065500 146 C 10 YY 0.004383 -0.217802 -0.104276 -0.197951 0.133397 147 C 10 ZZ -0.246709 0.210762 0.007599 0.052123 -0.067896 148 C 10 XY 0.103923 0.109447 0.189433 0.366340 -0.097216 149 C 10 XZ -0.092267 -0.111897 0.024752 -0.114372 -0.043687 150 C 10 YZ -0.035441 -0.189184 -0.031640 -0.174767 0.113951 151 C 11 S 0.019348 -0.037599 -0.020823 -0.352786 0.083698 152 C 11 S 0.031134 -0.029949 -0.007971 -0.555106 0.146249 153 C 11 S -0.142577 0.084710 0.177476 9.097686 -0.493095 154 C 11 X 0.015977 0.090206 0.189442 0.233113 0.147712 155 C 11 Y -0.049606 0.130151 0.040208 -0.098058 -0.061610 156 C 11 Z -0.026436 -0.034110 -0.000451 0.040478 0.070602 157 C 11 X -1.811086 -0.309286 -0.315426 5.513336 0.070882 158 C 11 Y 0.365247 -0.209276 -0.356744 -1.633587 -0.406302 159 C 11 Z 0.044935 -0.067177 -0.064492 0.316961 0.043302 160 C 11 XX 0.278004 0.034920 -0.018487 0.143854 -0.166644 161 C 11 YY -0.307203 0.200873 0.203760 0.424070 0.063782 162 C 11 ZZ 0.029199 -0.235793 -0.185272 -0.567924 0.102862 163 C 11 XY -0.058599 -0.182905 -0.300841 -0.324400 -0.092555 164 C 11 XZ -0.084750 0.086009 -0.048160 0.276679 0.078684 165 C 11 YZ 0.047152 -0.115019 0.002556 -0.141252 -0.041709 166 C 12 S -0.064203 0.025052 -0.027979 0.020335 -0.046488 167 C 12 S -0.143122 0.059649 -0.043573 0.056763 -0.093013 168 C 12 S 1.046697 -0.136558 0.707375 -0.330492 0.137435 169 C 12 X -0.055623 0.038340 0.025074 0.023414 -0.044629 170 C 12 Y 0.017853 -0.023006 -0.027675 -0.018865 -0.011223 171 C 12 Z 0.011563 -0.032677 -0.025785 -0.051792 -0.005464 172 C 12 X 0.063798 0.015049 0.086279 -0.195025 0.078852 173 C 12 Y -0.496306 -0.034455 -0.220144 -0.280884 0.043171 174 C 12 Z 0.000260 0.041048 -0.034989 0.269324 -0.105261 175 C 12 XX -0.077652 0.090610 0.029277 0.033924 -0.087491 176 C 12 YY -0.022406 -0.086331 -0.016374 -0.052521 0.093220 177 C 12 ZZ 0.100058 -0.004278 -0.012903 0.018597 -0.005729 178 C 12 XY 0.003696 0.137165 0.019743 0.062902 -0.134055 179 C 12 XZ 0.007659 -0.024914 0.007884 -0.055198 -0.064348 180 C 12 YZ -0.001787 0.091450 -0.018062 0.036391 -0.046109 181 C 13 S 0.046707 -0.025803 0.050799 0.023411 0.050949 182 C 13 S 0.081054 -0.049163 0.111731 0.073760 0.109140 183 C 13 S -0.724045 0.340082 -0.081368 0.038865 -0.200498 184 C 13 X -0.037492 0.013330 0.058153 0.066726 0.048084 185 C 13 Y 0.064814 -0.061945 -0.030050 -0.075226 0.004180 186 C 13 Z -0.015213 0.005140 0.028963 0.049269 0.009703 187 C 13 X -0.239573 0.048946 -0.135750 0.035048 -0.096390 188 C 13 Y 0.210152 -0.165622 -0.234276 0.023859 0.019256 189 C 13 Z -0.253479 0.066289 -0.149486 -0.259864 -0.000976 190 C 13 XX 0.065073 0.049160 -0.003131 0.018783 -0.095293 191 C 13 YY -0.117575 -0.067039 -0.028752 -0.005659 0.125283 192 C 13 ZZ 0.052502 0.017880 0.031883 -0.013124 -0.029990 193 C 13 XY 0.087963 -0.040659 -0.022550 -0.053956 -0.028331 194 C 13 XZ 0.008072 0.011014 0.011089 -0.006878 -0.015679 195 C 13 YZ 0.057161 -0.050539 -0.035025 -0.073291 0.028759 196 C 14 S -0.052027 0.012302 -0.004388 -0.042344 -0.024084 197 C 14 S -0.098949 0.017014 0.001050 -0.087718 -0.031864 198 C 14 S -0.174382 -0.553773 -0.193287 1.207870 0.355789 199 C 14 X -0.092012 -0.011675 0.028298 0.003868 0.062798 200 C 14 Y -0.046735 0.002353 0.050860 0.010233 0.043359 201 C 14 Z -0.014048 -0.001125 -0.029947 -0.007079 0.000484 202 C 14 X -0.466977 0.173506 0.264636 0.153206 0.220233 203 C 14 Y 0.341246 -0.321824 -0.085865 0.404042 0.156675 204 C 14 Z 0.009829 -0.063086 0.042102 -0.007787 -0.077469 205 C 14 XX 0.123276 0.094826 0.104586 -0.170218 -0.012858 206 C 14 YY -0.070292 -0.074680 -0.085614 0.065462 0.056968 207 C 14 ZZ -0.052984 -0.020146 -0.018972 0.104756 -0.044110 208 C 14 XY -0.241676 0.020963 0.079549 0.164463 0.133197 209 C 14 XZ -0.003515 0.044284 -0.023339 0.016131 -0.018066 210 C 14 YZ -0.120675 0.070632 -0.001854 0.159658 0.082094 211 F 15 S -0.003855 -0.004145 -0.024517 -0.006038 -0.029725 212 F 15 S -0.014139 -0.010848 -0.057193 -0.021079 -0.067341 213 F 15 S -0.053534 -0.002451 0.046700 -0.072464 0.101147 214 F 15 X -0.011094 -0.003234 -0.006415 -0.010071 0.010874 215 F 15 Y -0.001403 -0.004575 0.016735 0.024688 0.014944 216 F 15 Z 0.028238 0.007510 0.007509 0.041667 0.008591 217 F 15 X 0.016701 0.005270 0.010611 0.016101 -0.016663 218 F 15 Y 0.023018 0.007329 -0.023012 -0.027925 -0.038223 219 F 15 Z 0.013848 -0.003567 -0.015127 -0.028129 -0.016749 220 F 15 XX 0.005707 0.001004 0.005590 0.008755 -0.002457 221 F 15 YY -0.004996 -0.005082 -0.001588 -0.012549 0.003096 222 F 15 ZZ -0.000711 0.004078 -0.004003 0.003795 -0.000640 223 F 15 XY 0.009554 0.011457 0.004725 0.016999 -0.007455 224 F 15 XZ -0.001591 0.005166 0.002813 0.008729 0.005074 225 F 15 YZ 0.001792 -0.002291 0.000722 -0.000362 -0.006937 226 F 16 S -0.011211 -0.027826 -0.004023 0.011075 0.028119 227 F 16 S -0.025759 -0.053488 -0.010230 0.032924 0.056264 228 F 16 S 0.052909 0.177782 0.003096 0.089051 -0.170189 229 F 16 X -0.016163 0.016561 0.004364 0.019588 -0.004333 230 F 16 Y -0.009444 -0.037601 0.004333 -0.053053 0.024197 231 F 16 Z -0.009417 0.025362 -0.001960 0.011838 -0.021394 232 F 16 X 0.028624 -0.017557 -0.021647 -0.049958 -0.025784 233 F 16 Y 0.049883 -0.048599 0.006673 0.040233 0.038254 234 F 16 Z 0.044867 0.012653 0.007890 0.013821 -0.010535 235 F 16 XX 0.000632 0.010720 0.003228 0.013292 -0.008237 236 F 16 YY 0.010287 -0.009373 0.001567 -0.000238 -0.001063 237 F 16 ZZ -0.010920 -0.001348 -0.004795 -0.013054 0.009300 238 F 16 XY 0.002217 -0.004710 -0.002385 -0.017162 -0.008604 239 F 16 XZ -0.002880 0.005657 0.000705 0.004185 -0.004224 240 F 16 YZ 0.011610 0.008272 0.002785 0.001406 -0.006489 241 F 17 S -0.023220 0.006586 0.002791 0.023372 0.010347 242 F 17 S -0.040167 0.011373 0.007828 0.041809 0.017467 243 F 17 S 0.206680 -0.063638 0.005605 -0.151201 -0.087281 244 F 17 X -0.006042 -0.015743 -0.007902 0.015394 0.021626 245 F 17 Y 0.051572 -0.014116 0.016622 -0.043097 -0.019100 246 F 17 Z 0.031816 -0.007859 0.010083 -0.045217 -0.025436 247 F 17 X 0.011857 0.017099 -0.004425 -0.021786 -0.065860 248 F 17 Y -0.003591 0.007314 -0.019276 -0.075682 -0.024497 249 F 17 Z 0.056407 0.010225 0.011357 -0.010370 -0.003736 250 F 17 XX 0.016652 -0.002191 -0.002492 -0.007375 -0.002576 251 F 17 YY -0.001370 0.008703 0.009348 0.017127 -0.004893 252 F 17 ZZ -0.015282 -0.006512 -0.006856 -0.009752 0.007470 253 F 17 XY 0.007439 -0.000897 0.005711 -0.009049 0.003375 254 F 17 XZ 0.017202 -0.006332 -0.006251 -0.010018 -0.003173 255 F 17 YZ -0.008457 -0.002000 -0.004682 0.014446 0.006442 256 F 18 S 0.008467 -0.033874 -0.053100 -0.042842 -0.029653 257 F 18 S 0.019071 -0.072051 -0.122997 -0.100688 -0.065743 258 F 18 S -0.033707 0.167404 0.154038 0.106228 0.111169 259 F 18 X 0.003499 0.001253 0.002749 -0.001752 0.018676 260 F 18 Y 0.013339 -0.004144 -0.021136 -0.016937 -0.005478 261 F 18 Z 0.003569 -0.014916 0.027906 0.028154 -0.002069 262 F 18 X 0.003149 -0.005429 -0.030213 -0.010114 -0.039882 263 F 18 Y -0.063979 0.043231 0.049049 0.001275 0.015032 264 F 18 Z -0.015206 -0.042786 -0.064753 -0.045950 -0.026601 265 F 18 XX 0.012440 0.006821 0.009425 0.009256 -0.000712 266 F 18 YY -0.006775 0.004096 -0.005288 0.006137 0.001943 267 F 18 ZZ -0.005664 -0.010918 -0.004137 -0.015393 -0.001231 268 F 18 XY -0.003549 0.005191 0.003073 0.016100 0.003774 269 F 18 XZ 0.000527 0.004267 0.008090 0.001195 0.004551 270 F 18 YZ -0.008566 0.000157 0.004365 -0.004575 0.005183 271 C 19 S -0.008700 0.017055 0.016229 -0.003667 -0.002659 272 C 19 S -0.031554 0.038839 0.024083 -0.020337 0.006847 273 C 19 S -0.706524 0.159750 -0.516124 0.067982 -0.520952 274 C 19 X -0.041504 -0.014796 -0.139314 -0.010525 -0.059768 275 C 19 Y 0.058739 -0.043396 0.023030 -0.000092 0.035230 276 C 19 Z -0.007812 -0.056443 0.101235 0.015779 0.008374 277 C 19 X 0.417761 -0.053961 0.245847 -0.115187 0.580464 278 C 19 Y -0.043636 -0.058097 -0.008569 0.053081 -0.202131 279 C 19 Z 0.081407 0.147243 0.014972 -0.016992 0.047375 280 C 19 XX 0.026580 -0.052047 0.059026 0.017202 -0.001120 281 C 19 YY -0.292353 -0.045141 -0.214395 -0.064543 -0.256923 282 C 19 ZZ 0.265772 0.097187 0.155369 0.047341 0.258044 283 C 19 XY 0.120890 -0.030020 0.267905 0.043924 0.155978 284 C 19 XZ 0.184681 0.728902 -0.619706 -0.057503 0.345393 285 C 19 YZ -0.030467 0.176690 -0.199374 -0.017736 0.071746 286 H 20 S 0.021454 0.006538 0.098450 0.052486 -0.056172 287 H 20 S -0.100672 -0.009814 -0.028899 0.034918 -0.191258 288 H 20 X -0.120359 0.026885 -0.198723 -0.029268 -0.087909 289 H 20 Y -0.120495 0.038459 -0.142809 -0.000019 -0.169078 290 H 20 Z -0.134393 -0.434219 0.312979 0.035644 -0.212138 291 H 21 S 0.003000 -0.010492 0.063707 0.017318 0.005029 292 H 21 S 0.084878 0.064787 0.043146 -0.012216 0.082241 293 H 21 X 0.043991 0.315923 -0.300321 -0.024809 0.071633 294 H 21 Y 0.222547 0.114095 0.031305 -0.016430 0.271716 295 H 21 Z 0.149850 -0.010141 0.156603 0.033252 0.161905 296 C 22 S 0.011487 -0.027683 -0.027680 0.031329 -0.035569 297 C 22 S 0.036104 -0.062856 -0.059160 0.064138 -0.085538 298 C 22 S 0.464233 -0.265762 -0.205232 -0.409179 0.028161 299 C 22 X -0.083897 0.045351 0.061198 0.002925 0.032442 300 C 22 Y -0.050629 -0.014763 0.005486 -0.074129 -0.053015 301 C 22 Z -0.039238 -0.051957 -0.046174 0.033650 0.074693 302 C 22 X 0.462418 -0.311867 -0.241647 0.403493 -0.117785 303 C 22 Y 0.380645 -0.249292 -0.171398 0.039537 -0.073546 304 C 22 Z -0.042351 0.067722 0.051757 -0.029273 -0.031962 305 C 22 XX 0.458979 -0.129524 -0.159170 0.424632 -0.051963 306 C 22 YY -0.092052 0.065898 0.062733 -0.208611 -0.045584 307 C 22 ZZ -0.366927 0.063625 0.096437 -0.216020 0.097547 308 C 22 XY -0.105656 0.039565 0.041655 -0.053767 0.059571 309 C 22 XZ -0.119419 -0.129839 -0.094853 0.048252 0.136180 310 C 22 YZ -0.225785 -0.466584 -0.344771 0.304867 0.355808 311 H 23 S -0.002024 -0.045782 -0.013720 0.014956 -0.025191 312 H 23 S 0.162314 -0.074980 -0.047853 0.137368 -0.035187 313 H 23 X 0.081273 -0.066157 -0.045396 0.135209 -0.021841 314 H 23 Y -0.266030 0.142323 0.146303 -0.219530 0.042891 315 H 23 Z -0.141242 -0.261439 -0.188428 0.140711 0.208376 316 H 24 S 0.014057 0.048036 0.018228 -0.027225 -0.033596 317 H 24 S -0.056597 0.017058 0.009955 -0.058544 0.011827 318 H 24 X -0.283792 0.144770 0.139702 -0.196196 0.038288 319 H 24 Y 0.169468 0.199265 0.122524 -0.141943 -0.178021 320 H 24 Z 0.188910 -0.114456 -0.099358 0.183201 -0.005454 321 H 25 S -0.059448 -0.002348 -0.027785 0.022230 0.057980 322 H 25 S -0.082872 0.048298 0.036714 -0.052416 0.014783 323 H 25 X -0.308757 0.085846 0.100723 -0.191181 0.051231 324 H 25 Y -0.029060 -0.258846 -0.210804 0.170293 0.172712 325 H 25 Z -0.214150 0.016140 0.013767 -0.123791 0.107355 326 C 26 S 0.036372 -0.021803 0.035984 -0.032764 0.104281 327 C 26 S 0.065782 -0.023656 0.060776 -0.056274 0.232491 328 C 26 S -0.480975 1.031347 -0.238600 0.216908 -0.395420 329 C 26 X -0.094104 0.072782 0.058421 -0.032017 0.193005 330 C 26 Y 0.144480 0.017996 -0.012201 -0.148499 0.158968 331 C 26 Z -0.043111 0.098593 -0.060926 0.049367 0.072402 332 C 26 X -0.253022 0.294845 -0.032311 0.044776 -0.137403 333 C 26 Y 0.218295 -0.045638 -0.019533 0.034234 0.005110 334 C 26 Z -0.192827 0.314433 -0.054641 0.050183 -0.109362 335 C 26 XX -0.062278 -0.223117 0.255442 0.081518 -0.047779 336 C 26 YY 0.136430 0.184404 -0.190010 -0.068886 -0.077301 337 C 26 ZZ -0.074151 0.038713 -0.065432 -0.012632 0.125079 338 C 26 XY -0.085852 0.066658 -0.026435 0.279972 -0.304803 339 C 26 XZ 0.065768 -0.205300 0.179309 -0.240975 0.233696 340 C 26 YZ 0.069399 0.124929 -0.153141 -0.046817 0.096228 341 H 27 S 0.004657 0.026738 0.022299 -0.071418 0.123456 342 H 27 S 0.001290 0.069488 0.024633 -0.082071 0.056912 343 H 27 X 0.019748 -0.112177 0.153672 -0.029513 0.125081 344 H 27 Y -0.009438 0.250446 -0.110677 -0.047933 0.035591 345 H 27 Z 0.034298 -0.003245 0.014402 -0.185973 0.253536 346 H 28 S -0.104699 0.011721 0.011190 0.084784 -0.061903 347 H 28 S -0.175346 0.058132 0.066218 0.044052 -0.090643 348 H 28 X 0.080650 -0.200708 0.082396 -0.188262 0.192165 349 H 28 Y 0.098948 -0.057095 0.047229 -0.152483 0.139764 350 H 28 Z -0.159167 0.004037 0.065950 0.107884 -0.089717 351 H 29 S 0.141713 -0.135416 -0.027234 -0.051493 -0.039034 352 H 29 S 0.173008 -0.155476 -0.012353 0.002412 0.012538 353 H 29 X -0.081364 0.128791 -0.025636 -0.027792 0.168865 354 H 29 Y 0.131130 0.020950 -0.106035 -0.196606 0.104436 355 H 29 Z 0.006512 0.139127 -0.202754 0.083202 -0.127042 356 C 30 S 0.071083 0.124870 0.105913 -0.046202 -0.046777 357 C 30 S 0.159458 0.235951 0.223906 -0.118379 -0.120391 358 C 30 S -0.401299 -0.198289 0.084983 0.092220 -0.655719 359 C 30 X -0.037974 -0.156592 -0.176542 -0.085459 -0.110340 360 C 30 Y 0.037838 -0.020109 0.018948 -0.305492 -0.033823 361 C 30 Z -0.016076 -0.091298 -0.091601 -0.049738 0.112138 362 C 30 X -0.028010 0.042136 -0.066355 -0.323106 -0.179385 363 C 30 Y -0.079241 -0.145444 0.195479 -0.560317 -0.279478 364 C 30 Z 0.182779 0.176837 0.025707 0.007928 0.286105 365 C 30 XX 0.094107 0.061799 0.007612 0.069335 -0.061521 366 C 30 YY -0.105109 -0.118880 -0.054349 -0.157181 0.214456 367 C 30 ZZ 0.011003 0.057081 0.046737 0.087846 -0.152935 368 C 30 XY -0.198773 -0.095860 -0.075404 0.097186 0.066955 369 C 30 XZ 0.299584 0.044363 0.011862 -0.209364 -0.204124 370 C 30 YZ 0.011450 -0.037504 0.036982 -0.260494 0.038257 371 H 31 S 0.040836 0.015744 0.064710 -0.229516 -0.029669 372 H 31 S -0.048637 -0.096247 0.034273 -0.294676 -0.079006 373 H 31 X -0.198674 -0.074084 -0.016281 0.218734 0.178094 374 H 31 Y -0.039983 -0.041914 -0.000117 -0.168119 0.031674 375 H 31 Z -0.054807 -0.091998 -0.041309 0.005661 0.056448 376 H 32 S -0.050614 0.056246 -0.077535 0.122240 -0.040512 377 H 32 S -0.027901 0.028067 -0.130252 0.038048 -0.062603 378 H 32 X -0.035522 -0.043871 -0.157839 0.258935 0.001508 379 H 32 Y 0.026381 0.092252 0.056989 0.207036 0.079335 380 H 32 Z 0.185620 -0.041552 -0.027377 -0.189090 0.038146 381 H 33 S 0.006833 0.121031 0.031682 0.233628 0.160253 382 H 33 S 0.051503 0.063093 0.060262 0.320876 0.119113 383 H 33 X -0.018468 -0.176049 -0.050730 -0.369337 -0.079501 384 H 33 Y 0.124689 0.050198 -0.042252 -0.038091 -0.201703 385 H 33 Z -0.128614 -0.107317 -0.134631 0.108548 0.141680 386 H 34 S 0.015941 0.028210 -0.075648 -0.000944 -0.013994 387 H 34 S 0.011932 -0.046688 -0.001085 -0.000819 0.037050 388 H 34 X -0.106534 -0.343981 0.238464 0.024584 -0.229500 389 H 34 Y 0.214160 -0.107907 0.339797 0.014161 0.216588 390 H 34 Z -0.133771 -0.095273 0.025882 -0.008992 -0.104834 391 F 35 S 0.047683 0.003125 0.013605 0.035405 -0.028934 392 F 35 S 0.107699 0.005271 0.031639 0.079974 -0.062316 393 F 35 S -0.139946 -0.046143 -0.046997 -0.094073 0.120060 394 F 35 X 0.005558 -0.005260 0.004925 0.016911 0.001928 395 F 35 Y 0.010806 -0.004263 -0.004004 0.011162 0.007275 396 F 35 Z -0.000602 0.002788 -0.016413 -0.003182 -0.012580 397 F 35 X -0.037835 -0.013352 0.004227 -0.055003 0.059718 398 F 35 Y -0.040711 0.007344 0.015942 -0.023443 -0.018121 399 F 35 Z 0.040105 0.009102 0.050227 0.029423 -0.002602 400 F 35 XX 0.004533 -0.001883 0.001256 0.010338 -0.003083 401 F 35 YY -0.006617 -0.006024 -0.006021 -0.004302 0.009157 402 F 35 ZZ 0.002084 0.007907 0.004765 -0.006036 -0.006074 403 F 35 XY 0.006411 0.003332 0.001874 -0.000284 0.004396 404 F 35 XZ -0.008962 -0.001266 -0.002018 -0.001931 0.006028 405 F 35 YZ 0.001389 -0.000242 0.002626 -0.002155 -0.000014 406 F 36 S 0.035022 -0.018459 0.012443 0.013792 0.014743 407 F 36 S 0.077858 -0.044263 0.024538 0.025631 0.035913 408 F 36 S -0.131679 0.034425 -0.078211 -0.130406 -0.010023 409 F 36 X -0.008308 -0.003361 -0.014389 -0.039902 0.004782 410 F 36 Y 0.012784 -0.016728 -0.012194 -0.010791 0.008667 411 F 36 Z -0.006082 -0.021150 -0.023645 -0.023148 0.016633 412 F 36 X 0.044716 0.006087 0.048283 0.088565 -0.009918 413 F 36 Y -0.016789 0.035662 0.035439 0.012646 -0.016673 414 F 36 Z -0.017643 0.019675 0.006875 0.005841 -0.008923 415 F 36 XX -0.002610 0.007725 -0.002641 -0.012990 -0.009276 416 F 36 YY -0.002920 -0.005058 -0.002202 0.009455 0.005711 417 F 36 ZZ 0.005530 -0.002667 0.004842 0.003535 0.003565 418 F 36 XY -0.001203 -0.001530 0.000799 -0.000141 -0.001146 419 F 36 XZ -0.007034 -0.003413 -0.007134 -0.008706 0.004925 420 F 36 YZ -0.007292 0.001791 0.000169 0.008045 0.000093 421 C 37 S -0.063457 0.064560 0.064236 0.172098 -0.284433 422 C 37 S -0.063628 0.109557 0.155324 0.292744 -0.516333 423 C 37 S 3.997380 -1.479673 1.203302 -2.527730 5.970056 424 C 37 X 0.005363 0.093079 0.019009 0.095622 -0.273825 425 C 37 Y 0.176161 -0.040658 0.226828 -0.011315 0.139542 426 C 37 Z 0.031906 0.023620 -0.056780 -0.004753 0.038833 427 C 37 X -1.328916 0.587938 -0.021145 0.942889 -2.564939 428 C 37 Y 1.352785 0.248816 1.324460 0.159785 1.109379 429 C 37 Z 0.056288 0.027865 -0.005164 0.028224 0.174195 430 C 37 XX -0.005785 0.009475 0.006712 -0.013293 0.094569 431 C 37 YY 0.189357 -0.175456 0.060683 -0.157585 0.028435 432 C 37 ZZ -0.183572 0.165982 -0.067395 0.170878 -0.123004 433 C 37 XY 0.203765 -0.103947 0.091340 -0.112842 0.485171 434 C 37 XZ 0.030950 -0.059891 0.319257 -0.009990 -0.024517 435 C 37 YZ 0.199109 0.271034 -0.062244 -0.077893 0.297317 436 S 38 S -0.004413 0.002714 0.001836 0.008228 0.002313 437 S 38 S -0.026552 0.015672 0.010674 0.054724 0.014958 438 S 38 S -0.012025 0.002936 0.000988 0.049450 0.009446 439 S 38 S -0.136671 0.004979 -0.121357 -0.275902 -0.186973 440 S 38 X 0.006678 -0.005716 0.008097 -0.017210 0.021800 441 S 38 Y 0.000774 -0.000381 0.008686 0.000661 0.027088 442 S 38 Z 0.004359 0.000343 -0.001615 -0.001003 0.002596 443 S 38 X 0.026894 -0.014075 0.034890 -0.057148 0.059915 444 S 38 Y -0.008840 0.004784 0.043348 0.010621 0.105700 445 S 38 Z 0.015464 0.001925 -0.009979 -0.002769 0.011125 446 S 38 X -0.304780 0.019217 -0.165337 -0.078925 -0.214342 447 S 38 Y -0.245051 0.013884 -0.168736 0.105897 -0.154055 448 S 38 Z 0.003178 0.028303 -0.019304 -0.013203 -0.015325 449 S 38 XX -0.002648 -0.026690 -0.004818 -0.047923 0.068142 450 S 38 YY 0.058694 -0.003073 -0.022807 0.008244 -0.082844 451 S 38 ZZ -0.056047 0.029762 0.027626 0.039678 0.014702 452 S 38 XY 0.031004 -0.066592 -0.055834 -0.030659 0.047300 453 S 38 XZ -0.003926 0.002077 -0.027071 0.003170 -0.019442 454 S 38 YZ -0.014009 -0.028008 0.013930 0.002658 -0.029894 455 S 38 XX 0.001699 -0.003998 -0.002869 -0.004788 0.005063 456 S 38 YY 0.006492 0.002070 -0.001078 0.001064 -0.006784 457 S 38 ZZ -0.008190 0.001928 0.003946 0.003724 0.001721 458 S 38 XY 0.005260 -0.016537 -0.011065 -0.010049 0.017819 459 S 38 XZ -0.001041 0.000709 -0.007514 0.002223 -0.007342 460 S 38 YZ -0.003531 -0.009313 0.006235 0.000555 -0.008712 461 H 39 S -0.007989 -0.012926 -0.036185 0.025351 0.211805 462 H 39 S 0.243322 -0.126736 -0.053862 -0.147098 0.659591 463 H 39 X 0.087255 0.070060 0.069412 0.029513 -0.255410 464 H 39 Y -0.242211 -0.001750 -0.204937 -0.001674 -0.231304 465 H 39 Z 0.020215 0.033291 -0.147545 -0.032693 0.030658 366 367 368 369 370 2.5772 2.6057 2.6322 2.6412 2.6941 A A A A A 1 C 1 S -0.057580 -0.029737 0.005682 0.016803 0.034034 2 C 1 S -0.099509 -0.087987 0.020590 0.023318 0.050757 3 C 1 S 1.656716 -0.869452 -0.167043 -0.701608 -0.531178 4 C 1 X -0.046202 0.159102 -0.085151 0.039395 0.044884 5 C 1 Y 0.012140 -0.019513 -0.014213 -0.007968 0.008962 6 C 1 Z 0.010622 -0.020787 0.025468 -0.008044 -0.007900 7 C 1 X -1.178684 0.072514 0.577971 0.468079 -0.403864 8 C 1 Y 0.031489 -0.016865 0.255606 -0.164746 0.003123 9 C 1 Z 0.026549 0.035732 -0.072135 -0.087345 0.066315 10 C 1 XX 0.187629 -0.107140 -0.098688 -0.130806 0.103502 11 C 1 YY -0.090444 -0.034585 0.169751 0.125291 -0.240103 12 C 1 ZZ -0.097185 0.141725 -0.071063 0.005514 0.136601 13 C 1 XY -0.040413 0.045025 0.157816 0.070420 -0.145236 14 C 1 XZ 0.205094 -0.186571 -0.086132 0.128775 -0.063062 15 C 1 YZ -0.166236 0.167562 0.037383 -0.064533 0.033332 16 C 2 S 0.079594 -0.017554 0.040227 -0.018519 -0.002555 17 C 2 S 0.131174 0.050895 0.046220 -0.010389 0.067792 18 C 2 S -2.599778 2.658060 -0.609549 0.908660 1.090342 19 C 2 X -0.081314 -0.155807 0.233333 0.034371 -0.386333 20 C 2 Y -0.043809 -0.024467 0.330697 -0.055918 -0.245147 21 C 2 Z 0.036752 -0.081432 0.004654 0.015283 -0.016163 22 C 2 X -1.499798 0.080844 0.875548 0.519627 -0.385641 23 C 2 Y -0.456019 0.881353 -0.203988 0.232641 0.262454 24 C 2 Z 0.118724 -0.000654 -0.005647 0.049308 -0.037100 25 C 2 XX 0.031056 0.245343 -0.245371 0.095572 0.121993 26 C 2 YY -0.103241 0.047637 0.066960 -0.014806 0.165210 27 C 2 ZZ 0.072185 -0.292980 0.178411 -0.080766 -0.287203 28 C 2 XY 0.075787 -0.066320 -0.059132 -0.010797 0.091461 29 C 2 XZ 0.240869 -0.264303 -0.113302 0.146517 -0.056791 30 C 2 YZ 0.059938 -0.191541 -0.005746 0.087467 0.006218 31 C 3 S 0.098568 -0.192725 0.124481 0.118429 -0.067423 32 C 3 S 0.214230 -0.370559 0.156704 0.250641 -0.104851 33 C 3 S -0.768118 2.220059 -2.900760 0.118167 0.692532 34 C 3 X -0.065567 -0.004278 -0.051799 0.033095 -0.070151 35 C 3 Y 0.011801 -0.028059 -0.076618 0.144479 0.093912 36 C 3 Z -0.000073 -0.029677 0.002906 0.025750 0.005527 37 C 3 X 2.898522 -1.271773 -1.060874 -0.269585 0.151292 38 C 3 Y -1.145965 2.777814 -1.983952 -0.037723 0.984711 39 C 3 Z -0.066730 0.042380 -0.168796 -0.140429 0.240800 40 C 3 XX 0.048349 0.446926 -0.196390 0.211918 0.356239 41 C 3 YY 0.035850 -0.408428 -0.092244 -0.079764 -0.259613 42 C 3 ZZ -0.084199 -0.038498 0.288635 -0.132154 -0.096626 43 C 3 XY 0.039613 -0.097732 0.179255 -0.001777 -0.239948 44 C 3 XZ -0.266411 0.418909 0.150618 -0.274032 0.117317 45 C 3 YZ -0.014694 -0.214402 0.041399 -0.025008 0.023574 46 C 4 S 0.111468 0.185886 -0.331952 -0.087267 0.115265 47 C 4 S 0.213777 0.343927 -0.623357 -0.174821 0.220821 48 C 4 S -1.065443 -1.824659 3.420142 0.404827 -1.009225 49 C 4 X -0.050925 0.046035 0.036125 -0.000790 0.009983 50 C 4 Y 0.003610 0.164366 -0.023685 -0.122329 -0.099009 51 C 4 Z -0.142536 -0.023249 0.047205 0.015812 0.012218 52 C 4 X 0.496955 0.577686 -1.096464 0.052209 0.249501 53 C 4 Y 1.183358 -0.214098 -0.435211 0.735381 0.621623 54 C 4 Z 1.620099 0.150823 -0.892427 0.486210 0.059948 55 C 4 XX 0.001473 0.241421 0.028214 -0.054157 -0.054523 56 C 4 YY 0.016585 -0.114530 0.050008 -0.013387 -0.343687 57 C 4 ZZ -0.018058 -0.126892 -0.078222 0.067544 0.398210 58 C 4 XY -0.061196 -0.167851 0.386438 -0.145102 -0.021256 59 C 4 XZ -0.303488 -0.027561 0.300009 -0.340292 0.172037 60 C 4 YZ 0.205718 0.183624 0.126879 -0.346093 -0.270346 61 S 5 S 0.007044 -0.013307 0.007337 -0.009188 -0.008093 62 S 5 S 0.052438 -0.095619 0.047041 -0.067728 -0.045911 63 S 5 S 0.069639 -0.119793 0.040572 -0.090537 -0.000910 64 S 5 S 0.278808 0.312937 -0.563067 0.292323 0.590949 65 S 5 X -0.022296 -0.001595 0.029082 -0.003400 -0.039997 66 S 5 Y 0.017297 -0.013444 0.014113 -0.005151 -0.000984 67 S 5 Z -0.005326 -0.004762 -0.002923 -0.002313 0.006841 68 S 5 X -0.068375 -0.005999 0.102624 -0.008790 -0.179885 69 S 5 Y 0.048134 -0.063706 0.082384 -0.017040 -0.019803 70 S 5 Z -0.017947 -0.021130 -0.007796 -0.011523 0.032441 71 S 5 X -0.027177 -0.159525 0.211002 -0.167389 -0.217320 72 S 5 Y -0.233875 -0.052833 0.239317 0.120130 -0.269738 73 S 5 Z -0.025020 0.010664 0.081345 0.022791 0.048156 74 S 5 XX 0.004814 0.021974 -0.036109 0.022789 0.100049 75 S 5 YY -0.008388 -0.007647 -0.004664 -0.023655 -0.009092 76 S 5 ZZ 0.003574 -0.014327 0.040773 0.000866 -0.090958 77 S 5 XY 0.030251 0.055300 -0.098986 -0.009993 0.051978 78 S 5 XZ -0.006368 0.013690 -0.026784 0.003033 -0.052469 79 S 5 YZ -0.013375 -0.018756 0.015620 -0.016523 0.015233 80 S 5 XX -0.001359 0.005682 -0.007319 0.002900 0.024074 81 S 5 YY -0.003301 -0.002682 0.006489 -0.000366 -0.011974 82 S 5 ZZ 0.004661 -0.003000 0.000830 -0.002534 -0.012100 83 S 5 XY 0.012560 0.008726 -0.016768 -0.002963 0.013673 84 S 5 XZ -0.007358 0.002254 -0.006656 0.000219 -0.012072 85 S 5 YZ 0.001231 -0.005629 0.000926 -0.003380 0.001611 86 H 6 S -0.100703 -0.247306 0.393463 -0.022781 -0.492061 87 H 6 S -0.302583 -0.050270 0.332453 0.103765 -0.296025 88 H 6 X 0.082460 -0.123727 0.174287 -0.042826 -0.333326 89 H 6 Y -0.088310 -0.332405 0.382071 -0.083762 -0.440524 90 H 6 Z 0.091287 -0.181489 -0.040518 0.080753 -0.028183 91 C 7 S -0.239311 0.037802 -0.102596 0.298743 -0.172259 92 C 7 S -0.408466 0.051903 -0.238089 0.531583 -0.265574 93 C 7 S 5.159704 -0.712474 0.679543 -4.115700 3.615345 94 C 7 X -0.200148 -0.000494 -0.053458 0.101130 -0.121740 95 C 7 Y -0.045842 0.082690 0.182385 0.028876 -0.102238 96 C 7 Z 0.053811 0.058226 -0.005108 -0.030031 0.014486 97 C 7 X -0.783281 0.387541 -0.586176 1.520333 -1.009456 98 C 7 Y -1.892458 -0.471992 -0.462517 1.961717 -1.048946 99 C 7 Z 0.169460 -0.230560 0.218100 -0.220469 0.053397 100 C 7 XX 0.298799 -0.034725 0.169806 -0.103014 0.321314 101 C 7 YY -0.013149 -0.190978 -0.287280 -0.157541 -0.017940 102 C 7 ZZ -0.285650 0.225703 0.117474 0.260554 -0.303375 103 C 7 XY 0.312157 -0.252206 0.124319 -0.165829 0.413275 104 C 7 XZ -0.024872 -0.308023 -0.097446 0.154955 -0.165168 105 C 7 YZ -0.054426 -0.002425 0.057126 0.134176 -0.037073 106 C 8 S 0.123279 -0.015067 0.024340 -0.044845 -0.106454 107 C 8 S 0.241630 -0.060301 0.030985 -0.129529 -0.188051 108 C 8 S -1.428048 -1.436970 -0.829843 -1.826584 1.104554 109 C 8 X 0.034865 -0.062478 -0.019571 -0.150205 0.037027 110 C 8 Y -0.106443 0.165880 0.022579 0.286549 -0.045523 111 C 8 Z 0.028094 0.021087 0.022201 0.020322 0.003670 112 C 8 X -0.775456 0.001479 -0.380650 0.280479 -0.516722 113 C 8 Y 0.471950 0.734123 0.488989 1.614156 -0.755713 114 C 8 Z 0.011017 0.076057 0.107057 0.160279 -0.104758 115 C 8 XX 0.113969 0.022374 0.206839 0.004191 0.305548 116 C 8 YY -0.134813 -0.064878 -0.244681 -0.140198 -0.145389 117 C 8 ZZ 0.020844 0.042505 0.037842 0.136007 -0.160159 118 C 8 XY 0.056851 0.041979 0.067266 0.221511 0.030228 119 C 8 XZ 0.053421 -0.042687 0.079330 0.027050 0.014227 120 C 8 YZ -0.137000 -0.204139 -0.106449 0.079845 -0.025609 121 C 9 S -0.011592 0.048496 0.085083 0.108876 0.069917 122 C 9 S -0.041440 0.085094 0.127951 0.159604 0.125729 123 C 9 S -0.754652 -0.690109 -1.816967 -2.355045 -0.419508 124 C 9 X 0.045366 0.049159 -0.016466 -0.126876 0.026378 125 C 9 Y -0.098773 -0.220664 -0.076744 0.107006 0.096269 126 C 9 Z 0.151325 -0.012525 -0.019905 -0.078275 -0.042467 127 C 9 X 0.409651 -0.185240 -0.883339 -2.075575 0.562599 128 C 9 Y -1.222840 -0.752384 -0.077531 -1.846045 -0.151916 129 C 9 Z -1.519364 0.084476 -0.572267 -1.056841 -0.087809 130 C 9 XX 0.214930 -0.204551 0.148146 -0.249298 -0.028686 131 C 9 YY -0.030810 0.024299 -0.158306 -0.096687 -0.401081 132 C 9 ZZ -0.184120 0.180252 0.010160 0.345986 0.429767 133 C 9 XY 0.052141 -0.170950 -0.307512 -0.297972 -0.055138 134 C 9 XZ -0.191062 -0.132510 -0.540004 -0.283351 0.051819 135 C 9 YZ -0.041874 0.273683 -0.296754 -0.191564 -0.201585 136 C 10 S 0.141277 0.156277 -0.023211 -0.099915 -0.017141 137 C 10 S 0.204135 0.325477 -0.031829 -0.141801 -0.101650 138 C 10 S -3.778443 -0.454035 -0.602763 3.800469 -2.744388 139 C 10 X -0.107096 0.063257 -0.040536 0.101570 -0.258176 140 C 10 Y -0.108514 -0.028349 -0.054553 0.092911 -0.146685 141 C 10 Z 0.015220 -0.028567 0.028920 -0.015741 0.037878 142 C 10 X -3.447534 0.438675 -1.039856 1.971415 -1.536978 143 C 10 Y -0.181465 0.931275 -0.227444 0.785671 -0.683130 144 C 10 Z 0.430246 0.060405 0.062411 -0.284348 0.334862 145 C 10 XX -0.069195 0.219713 0.307344 0.275331 -0.134885 146 C 10 YY -0.245397 -0.265820 -0.209619 -0.019320 -0.075682 147 C 10 ZZ 0.314592 0.046107 -0.097725 -0.256011 0.210567 148 C 10 XY -0.014770 -0.164751 0.068200 0.037431 -0.165607 149 C 10 XZ 0.175421 -0.268219 -0.081672 0.078398 0.034743 150 C 10 YZ 0.123060 -0.228917 -0.099855 0.109390 0.014038 151 C 11 S -0.126578 0.019874 0.109374 0.057536 -0.113843 152 C 11 S -0.189751 0.030178 0.240560 0.078071 -0.236649 153 C 11 S 4.236424 -1.607380 0.352653 -1.092670 -0.057169 154 C 11 X -0.073017 -0.109906 0.100893 -0.022876 -0.224566 155 C 11 Y 0.147129 0.249339 -0.002444 0.027003 0.147771 156 C 11 Z -0.019784 0.032033 0.026835 -0.023611 0.008075 157 C 11 X 1.898394 -2.421004 1.444696 -0.473908 -0.118841 158 C 11 Y -0.199934 0.671885 0.309748 -0.155631 0.252757 159 C 11 Z 0.054286 -0.006937 0.060405 0.065691 -0.156594 160 C 11 XX 0.026860 0.074918 0.139294 -0.105324 -0.081306 161 C 11 YY 0.155252 -0.130899 -0.115752 -0.046462 0.101209 162 C 11 ZZ -0.182112 0.055980 -0.023542 0.151786 -0.019902 163 C 11 XY 0.305390 -0.067093 0.021239 -0.047974 0.124802 164 C 11 XZ -0.115275 0.366411 0.127739 -0.127642 0.004689 165 C 11 YZ 0.128255 -0.192090 -0.125703 0.178871 -0.035075 166 C 12 S 0.075943 -0.056821 -0.020589 -0.047384 0.006274 167 C 12 S 0.155240 -0.133535 -0.056845 -0.109213 0.020014 168 C 12 S -1.590854 0.129075 -0.379766 0.520400 -0.276639 169 C 12 X 0.016402 -0.124175 -0.127802 -0.106531 0.023966 170 C 12 Y 0.013301 0.026540 0.046216 0.021069 0.004184 171 C 12 Z 0.016981 -0.020174 -0.008962 0.016003 -0.005460 172 C 12 X -0.412089 0.026601 -0.188894 -0.102043 -0.029784 173 C 12 Y 0.437036 -0.259534 -0.102252 -0.163402 0.091096 174 C 12 Z 0.038037 -0.143554 0.008182 -0.100835 -0.087759 175 C 12 XX 0.108521 -0.108066 0.002860 -0.094248 0.033774 176 C 12 YY 0.016155 0.053488 -0.039245 0.083597 -0.001252 177 C 12 ZZ -0.124676 0.054578 0.036385 0.010651 -0.032522 178 C 12 XY 0.065410 0.084829 0.199492 -0.018054 0.029593 179 C 12 XZ 0.047147 -0.013273 0.012364 0.080596 -0.008635 180 C 12 YZ -0.042802 0.084687 0.057898 -0.075246 0.030318 181 C 13 S -0.068464 -0.012613 0.029079 0.029177 -0.009365 182 C 13 S -0.142171 -0.033050 0.053383 0.059829 -0.028706 183 C 13 S 0.510108 0.082127 -0.359287 -0.278443 0.011750 184 C 13 X -0.035448 -0.024357 -0.029284 0.003007 -0.014348 185 C 13 Y 0.011943 -0.049118 -0.025879 0.025429 -0.017172 186 C 13 Z -0.003698 -0.032131 -0.015479 0.004225 -0.009509 187 C 13 X 0.357247 -0.136545 -0.284652 -0.129946 0.032211 188 C 13 Y -0.079374 -0.024199 0.018888 -0.113381 -0.070212 189 C 13 Z 0.182785 0.133969 -0.135843 -0.096887 0.109379 190 C 13 XX -0.028969 0.073953 0.050611 0.017687 -0.008569 191 C 13 YY 0.027982 -0.082820 -0.065649 -0.024609 0.009724 192 C 13 ZZ 0.000988 0.008868 0.015038 0.006921 -0.001155 193 C 13 XY 0.005344 -0.018977 -0.021713 0.010734 -0.015652 194 C 13 XZ 0.016163 -0.039598 -0.007421 -0.008439 0.005599 195 C 13 YZ -0.057043 0.021210 -0.035366 -0.003930 -0.006866 196 C 14 S 0.010103 0.017061 -0.038630 -0.021290 0.010229 197 C 14 S -0.006966 0.027780 -0.080706 -0.026777 0.016097 198 C 14 S -0.286500 -0.989745 0.994222 0.221584 -0.172025 199 C 14 X -0.101756 -0.064140 0.007078 0.051817 -0.023816 200 C 14 Y -0.063208 -0.021544 -0.026509 0.043161 -0.013844 201 C 14 Z -0.009433 0.010836 0.004512 -0.020254 -0.000771 202 C 14 X -0.177273 0.036051 0.122583 0.120082 0.022047 203 C 14 Y -0.193887 -0.481772 0.339272 0.250368 -0.248455 204 C 14 Z 0.035550 -0.265079 -0.036179 0.016918 -0.018203 205 C 14 XX -0.185276 0.183770 -0.037029 0.053160 -0.002100 206 C 14 YY 0.104310 -0.060151 -0.002040 -0.017445 -0.001709 207 C 14 ZZ 0.080966 -0.123619 0.039070 -0.035715 0.003809 208 C 14 XY -0.006665 -0.139884 -0.034727 0.024187 -0.007202 209 C 14 XZ -0.013089 0.156577 0.010942 -0.006887 0.011948 210 C 14 YZ -0.066341 0.190890 0.034306 -0.057291 0.006838 211 F 15 S 0.030105 -0.040814 -0.019033 -0.018351 -0.003643 212 F 15 S 0.077335 -0.092428 -0.044079 -0.039363 -0.006234 213 F 15 S 0.004364 0.138536 0.056789 0.074138 0.039163 214 F 15 X 0.010105 -0.004129 -0.001202 -0.009200 0.002078 215 F 15 Y 0.004491 -0.016520 -0.009199 0.009828 -0.013320 216 F 15 Z -0.057242 0.013606 0.019654 -0.007970 -0.011465 217 F 15 X 0.002196 0.009407 -0.003651 0.025873 -0.003624 218 F 15 Y -0.022811 0.035995 0.028612 -0.010397 0.022446 219 F 15 Z 0.006455 -0.021112 -0.035037 -0.013253 0.001392 220 F 15 XX 0.001574 0.003211 0.010636 0.009923 -0.004635 221 F 15 YY 0.000206 0.000983 -0.004994 0.002717 0.003608 222 F 15 ZZ -0.001780 -0.004194 -0.005642 -0.012640 0.001027 223 F 15 XY -0.001749 0.012557 0.006984 -0.001290 -0.004496 224 F 15 XZ 0.000683 0.001991 -0.001078 -0.006724 0.001691 225 F 15 YZ 0.007299 -0.006177 0.003736 0.005490 -0.001024 226 F 16 S 0.029648 -0.014332 0.005270 0.023567 0.006327 227 F 16 S 0.065314 -0.028537 0.021155 0.045624 0.016480 228 F 16 S -0.109439 0.089097 0.078357 -0.142844 -0.014700 229 F 16 X -0.001048 0.009542 0.005584 -0.009712 0.013645 230 F 16 Y 0.017198 -0.023664 -0.040108 0.024981 0.000401 231 F 16 Z 0.002776 -0.007964 0.016795 -0.021453 0.003574 232 F 16 X -0.011685 -0.034077 -0.010150 -0.000937 -0.019001 233 F 16 Y -0.039942 0.011371 -0.006245 0.053807 -0.026945 234 F 16 Z -0.026113 0.051550 0.032536 0.005022 0.001327 235 F 16 XX 0.009081 0.007512 0.017514 -0.000976 0.001900 236 F 16 YY -0.006810 -0.008722 -0.005751 0.009764 -0.006821 237 F 16 ZZ -0.002271 0.001210 -0.011764 -0.008788 0.004921 238 F 16 XY -0.001886 -0.009711 -0.011590 -0.000264 0.001313 239 F 16 XZ 0.007564 0.008273 0.010007 -0.000903 0.002562 240 F 16 YZ -0.010622 0.008542 0.012731 -0.004633 -0.001543 241 F 17 S 0.035853 0.030571 -0.003536 -0.014868 0.022433 242 F 17 S 0.082951 0.061123 -0.010914 -0.028961 0.048964 243 F 17 S -0.101785 -0.195917 -0.012410 0.098290 -0.105536 244 F 17 X 0.004047 -0.012366 -0.001710 0.002664 -0.004588 245 F 17 Y 0.010051 -0.034815 -0.017638 0.034060 0.001565 246 F 17 Z 0.014236 -0.023014 -0.015875 0.008324 0.006305 247 F 17 X 0.022359 -0.005951 -0.000151 -0.007622 0.014334 248 F 17 Y -0.011538 0.012509 -0.014537 -0.034176 -0.006699 249 F 17 Z -0.052357 0.003674 0.018804 0.028986 -0.032041 250 F 17 XX -0.009797 0.007233 0.002455 0.001269 -0.004473 251 F 17 YY -0.001615 -0.000720 0.005787 0.001348 -0.000857 252 F 17 ZZ 0.011412 -0.006513 -0.008242 -0.002616 0.005329 253 F 17 XY -0.002711 -0.002920 -0.005618 -0.000520 0.000590 254 F 17 XZ -0.002546 0.008328 0.004929 -0.000086 -0.003665 255 F 17 YZ 0.003647 0.007758 0.000646 -0.004280 0.001949 256 F 18 S 0.022652 -0.054449 -0.004925 -0.033791 0.008043 257 F 18 S 0.048225 -0.105980 -0.011491 -0.078871 0.019301 258 F 18 S -0.094936 0.353348 0.001794 0.085586 -0.017940 259 F 18 X -0.021426 0.016477 0.002391 -0.005052 -0.006921 260 F 18 Y 0.007271 0.002762 0.000230 -0.001489 0.001904 261 F 18 Z 0.013017 -0.075343 0.002985 0.020382 -0.010856 262 F 18 X 0.040955 -0.006977 0.000236 -0.005007 0.019590 263 F 18 Y -0.001106 0.069051 -0.027372 -0.009223 0.018749 264 F 18 Z 0.039878 -0.076889 -0.000889 -0.037455 0.020514 265 F 18 XX -0.005229 0.017785 0.000822 0.006606 -0.005597 266 F 18 YY -0.004868 0.016683 0.006868 -0.006675 0.002676 267 F 18 ZZ 0.010096 -0.034468 -0.007690 0.000069 0.002922 268 F 18 XY 0.000264 0.009694 -0.002860 -0.005340 0.001561 269 F 18 XZ -0.007562 -0.000507 -0.001050 0.002112 -0.000155 270 F 18 YZ 0.008373 -0.001442 -0.007544 0.004553 0.003579 271 C 19 S -0.020039 -0.018765 0.017358 -0.019388 -0.050790 272 C 19 S -0.034366 -0.031541 0.066991 -0.034671 -0.118137 273 C 19 S 0.354863 0.004998 0.286699 -0.410823 0.293422 274 C 19 X -0.061512 0.018057 -0.069488 0.030503 -0.219164 275 C 19 Y -0.044543 -0.054707 0.070937 0.065010 0.081020 276 C 19 Z -0.062330 0.057295 -0.117097 -0.019149 -0.019761 277 C 19 X 0.190544 0.106726 0.125156 0.279627 -0.201714 278 C 19 Y -0.260534 -0.121773 -0.156566 -0.010571 -0.046697 279 C 19 Z -0.079775 0.080489 -0.151260 0.015875 -0.007589 280 C 19 XX 0.028457 0.051781 0.014550 0.022082 -0.114368 281 C 19 YY -0.137964 0.002903 -0.168772 -0.062462 -0.107883 282 C 19 ZZ 0.109507 -0.054684 0.154222 0.040380 0.222251 283 C 19 XY 0.205708 0.066464 0.194071 -0.003724 0.225969 284 C 19 XZ -0.086076 -0.214738 0.005063 0.110780 -0.006573 285 C 19 YZ -0.088975 -0.043725 -0.138739 0.005155 -0.062625 286 H 20 S -0.019069 -0.058937 -0.032871 -0.060807 0.262811 287 H 20 S -0.122521 -0.059934 -0.034730 -0.052775 0.121927 288 H 20 X -0.079518 0.024019 -0.055457 0.001313 -0.291926 289 H 20 Y -0.138968 -0.053385 -0.175831 -0.078069 -0.066558 290 H 20 Z 0.051113 0.084688 0.020760 -0.064066 -0.015771 291 H 21 S -0.029445 0.074603 -0.191635 -0.020411 -0.072157 292 H 21 S -0.004381 0.076212 -0.083402 0.008913 -0.036045 293 H 21 X -0.134826 -0.088068 -0.125132 0.030379 -0.060319 294 H 21 Y 0.117192 -0.066146 0.248686 0.102026 0.100044 295 H 21 Z 0.073994 0.067426 -0.045756 0.022037 0.019036 296 C 22 S 0.017963 -0.009374 -0.009516 -0.006793 -0.033209 297 C 22 S 0.042075 0.000433 -0.029296 -0.013268 -0.069970 298 C 22 S 0.049011 0.336800 -0.077010 -0.057482 0.236735 299 C 22 X 0.024708 0.010434 0.041587 0.072502 -0.225381 300 C 22 Y -0.016184 0.017120 0.042669 0.031708 -0.021722 301 C 22 Z -0.049126 0.114419 -0.039511 -0.004653 0.060523 302 C 22 X 0.231752 -0.060356 -0.104062 -0.010017 -0.171813 303 C 22 Y 0.118633 0.114276 -0.077884 -0.017574 0.092618 304 C 22 Z 0.000007 0.044398 -0.007352 0.021478 0.037134 305 C 22 XX 0.121970 -0.011527 -0.245476 -0.141516 0.213843 306 C 22 YY -0.019024 0.008838 0.070565 0.045826 0.059203 307 C 22 ZZ -0.102945 0.002689 0.174911 0.095690 -0.273046 308 C 22 XY -0.039879 -0.026770 0.038097 -0.000126 0.002529 309 C 22 XZ -0.108849 0.138631 -0.000411 -0.012177 0.030115 310 C 22 YZ -0.349133 0.324675 0.093252 -0.142255 0.091637 311 H 23 S 0.022299 -0.031870 0.057248 0.055185 -0.183371 312 H 23 S 0.103379 0.041541 -0.058184 0.019467 -0.031862 313 H 23 X 0.042642 -0.037882 -0.027114 -0.006428 -0.043147 314 H 23 Y -0.057580 0.021417 0.124886 0.104972 -0.154339 315 H 23 Z -0.188816 0.169482 0.050854 -0.064119 0.027964 316 H 24 S 0.002335 -0.113371 0.039075 -0.037665 0.104195 317 H 24 S -0.041537 -0.053890 0.035794 -0.021233 0.028895 318 H 24 X -0.044689 0.042693 0.072995 0.090375 -0.143070 319 H 24 Y 0.174820 -0.157281 -0.046994 0.035644 0.017235 320 H 24 Z 0.070065 0.088263 -0.117547 -0.013396 -0.020299 321 H 25 S -0.054312 0.042214 -0.030657 -0.031349 0.175119 322 H 25 S -0.053203 0.009035 0.017320 -0.005061 0.092289 323 H 25 X -0.082769 0.000155 0.143168 0.064216 -0.181831 324 H 25 Y -0.140918 0.156474 0.010083 -0.087263 0.090506 325 H 25 Z -0.123016 0.053974 0.051423 0.006927 0.107478 326 C 26 S 0.028027 0.004098 0.123051 0.004094 -0.055556 327 C 26 S 0.075366 -0.033359 0.265044 -0.025923 -0.154590 328 C 26 S -0.688616 -0.330038 -0.281847 -0.703435 -0.173139 329 C 26 X 0.049298 -0.015612 -0.176989 -0.110148 0.238002 330 C 26 Y -0.147310 0.205496 -0.009852 0.150951 -0.385663 331 C 26 Z -0.052735 -0.026136 0.028284 -0.065996 0.013120 332 C 26 X 0.287838 0.058238 -0.018552 0.042433 0.269619 333 C 26 Y -0.438283 0.045633 0.070481 0.252925 -0.262404 334 C 26 Z -0.092666 -0.131958 -0.195184 -0.308664 -0.015639 335 C 26 XX -0.224695 -0.289100 -0.064676 0.053018 0.371845 336 C 26 YY 0.272301 0.389486 -0.079994 -0.059580 -0.332139 337 C 26 ZZ -0.047606 -0.100386 0.144671 0.006562 -0.039706 338 C 26 XY 0.099166 -0.060103 0.381024 0.135851 0.066498 339 C 26 XZ -0.278384 -0.185684 -0.446225 -0.143628 -0.170299 340 C 26 YZ 0.192313 0.110810 -0.235463 -0.314757 -0.012199 341 H 27 S -0.093029 0.142645 -0.091863 0.047773 0.030221 342 H 27 S -0.061830 0.063848 -0.058012 0.041870 0.014745 343 H 27 X -0.299096 -0.027054 -0.088563 0.149180 0.075410 344 H 27 Y 0.205424 0.319882 -0.112440 -0.025449 0.000431 345 H 27 Z -0.205960 -0.026167 -0.280871 -0.247049 -0.083311 346 H 28 S 0.173509 -0.065010 -0.041076 -0.112411 0.454575 347 H 28 S 0.305085 -0.051550 -0.076841 -0.187001 0.269137 348 H 28 X -0.179680 -0.132992 -0.320151 -0.148028 0.010350 349 H 28 Y -0.192633 0.005089 0.084747 0.126362 -0.347023 350 H 28 Z -0.074671 -0.177867 0.095543 0.021074 0.380481 351 H 29 S -0.178916 0.119488 0.131908 0.208506 -0.320187 352 H 29 S -0.235377 0.029404 0.067001 0.128785 -0.235119 353 H 29 X 0.242551 -0.035557 -0.072135 -0.220499 0.180810 354 H 29 Y 0.069709 0.183100 -0.203063 -0.095902 -0.215706 355 H 29 Z -0.013940 0.185938 0.329759 0.204483 -0.128923 356 C 30 S -0.050167 0.076633 -0.045006 0.008571 -0.056134 357 C 30 S -0.122243 0.166680 -0.077337 0.037438 -0.163592 358 C 30 S -0.837310 0.044165 0.318746 -0.195681 -0.263303 359 C 30 X 0.111989 -0.004305 -0.093837 0.158728 -0.178321 360 C 30 Y -0.079557 0.128278 0.007983 0.302239 0.333000 361 C 30 Z 0.082198 -0.101536 0.045839 -0.002152 -0.060618 362 C 30 X -0.074820 -0.032574 -0.067685 -0.213005 0.010244 363 C 30 Y 0.114706 0.183629 -0.054114 0.030858 0.279286 364 C 30 Z 0.145395 -0.002285 -0.041954 0.116674 0.003064 365 C 30 XX -0.342917 -0.196639 0.012510 0.309088 0.336819 366 C 30 YY 0.433387 0.198031 0.060530 -0.360028 -0.339791 367 C 30 ZZ -0.090470 -0.001391 -0.073040 0.050940 0.002972 368 C 30 XY 0.250605 0.105874 -0.219596 0.433493 -0.150945 369 C 30 XZ -0.365213 -0.144976 0.326241 -0.512714 0.064112 370 C 30 YZ 0.184868 0.284720 0.080093 -0.156418 -0.010281 371 H 31 S -0.033710 0.144690 -0.045833 0.191965 0.442767 372 H 31 S 0.054872 0.100457 -0.021012 0.068483 0.239745 373 H 31 X 0.281505 0.093533 -0.181752 0.373798 -0.118131 374 H 31 Y 0.106605 0.148355 -0.002406 0.114545 0.296900 375 H 31 Z 0.265923 -0.003766 0.058421 -0.271462 -0.384896 376 H 32 S 0.112151 -0.040629 -0.108914 -0.108528 -0.173413 377 H 32 S 0.064363 -0.049860 -0.078548 -0.049505 -0.127609 378 H 32 X -0.023841 -0.174798 -0.082552 0.094025 -0.097056 379 H 32 Y -0.204505 -0.053537 -0.051664 0.411045 0.098832 380 H 32 Z -0.243712 -0.155205 0.204989 -0.196137 0.186532 381 H 33 S 0.013620 -0.073069 0.071022 -0.200772 0.008974 382 H 33 S -0.047156 -0.088919 0.044667 -0.117073 -0.017327 383 H 33 X 0.164082 0.223590 -0.022378 0.182045 -0.138449 384 H 33 Y -0.304679 -0.158625 0.003111 0.119669 0.079561 385 H 33 Z 0.239665 0.016957 -0.217021 0.471329 -0.042611 386 H 34 S 0.044617 -0.029905 0.026323 0.021335 -0.048790 387 H 34 S 0.092724 -0.016264 0.062337 0.000144 -0.025798 388 H 34 X -0.006865 0.073712 -0.032308 -0.049547 -0.035933 389 H 34 Y 0.097548 0.079074 0.134264 0.059106 0.098599 390 H 34 Z -0.127423 0.001312 -0.078798 -0.035944 -0.035219 391 F 35 S -0.023066 0.024088 0.067314 0.025606 -0.022577 392 F 35 S -0.049967 0.048970 0.149349 0.056632 -0.049917 393 F 35 S 0.100673 -0.157545 -0.250432 -0.090218 0.075293 394 F 35 X 0.013738 -0.027392 0.002269 -0.000159 -0.004839 395 F 35 Y -0.010460 0.007100 0.006002 0.002568 -0.007244 396 F 35 Z 0.012096 0.005776 -0.008864 -0.002990 0.000777 397 F 35 X -0.017920 -0.009130 -0.046759 -0.018077 0.027175 398 F 35 Y 0.056092 -0.054302 -0.019640 -0.003361 0.020209 399 F 35 Z -0.058276 0.012904 0.057450 0.021600 -0.016440 400 F 35 XX -0.000266 -0.002594 0.005233 0.004656 -0.005131 401 F 35 YY 0.003046 -0.001356 -0.005619 -0.003069 0.002972 402 F 35 ZZ -0.002781 0.003949 0.000386 -0.001587 0.002158 403 F 35 XY -0.019105 0.022525 0.000601 0.001762 -0.001940 404 F 35 XZ 0.005427 -0.003760 -0.010588 -0.003140 0.001816 405 F 35 YZ 0.001237 0.000231 -0.004941 0.001956 -0.000078 406 F 36 S -0.040515 0.003214 0.030432 0.015494 -0.023293 407 F 36 S -0.092619 0.008057 0.067040 0.034677 -0.050698 408 F 36 S 0.120632 0.013866 -0.112390 -0.050526 0.105033 409 F 36 X 0.016686 0.001156 -0.017715 -0.003640 0.009879 410 F 36 Y -0.009787 0.003646 -0.002259 -0.000654 -0.002631 411 F 36 Z -0.012568 0.001988 -0.000383 -0.000492 0.000894 412 F 36 X -0.059987 -0.004809 0.058292 0.020219 -0.027509 413 F 36 Y 0.005341 -0.003787 0.006689 0.012648 0.000449 414 F 36 Z 0.023959 -0.005596 -0.023400 -0.006311 0.018825 415 F 36 XX 0.002916 0.007846 -0.001778 -0.003845 0.005092 416 F 36 YY 0.003340 -0.006766 -0.003736 0.000617 -0.001188 417 F 36 ZZ -0.006256 -0.001080 0.005513 0.003229 -0.003904 418 F 36 XY 0.003501 -0.002423 -0.000435 0.000027 0.000912 419 F 36 XZ 0.003763 0.005485 -0.007146 -0.001691 0.002768 420 F 36 YZ 0.008545 -0.002115 -0.000152 -0.001822 0.001903 421 C 37 S -0.029340 -0.168107 -0.097142 -0.265718 0.130877 422 C 37 S -0.060840 -0.282108 -0.140360 -0.428840 0.226983 423 C 37 S 1.582552 2.294478 2.224596 5.094047 -1.530380 424 C 37 X -0.143826 0.015627 -0.367588 -0.240991 -0.442738 425 C 37 Y 0.014699 0.063111 -0.000026 0.067580 -0.003258 426 C 37 Z 0.023632 -0.061837 0.031542 -0.009594 -0.016941 427 C 37 X -0.703130 -1.085474 -0.859364 -2.166158 0.192878 428 C 37 Y 0.871499 0.256369 -0.251419 -0.366542 -0.022187 429 C 37 Z 0.269868 -0.106250 -0.027002 -0.097595 -0.037439 430 C 37 XX 0.143210 -0.076671 0.023790 -0.174708 -0.126061 431 C 37 YY -0.095572 0.300703 0.193054 0.597390 -0.077145 432 C 37 ZZ -0.047638 -0.224032 -0.216844 -0.422682 0.203205 433 C 37 XY 0.246047 -0.088302 0.262159 0.117186 0.070659 434 C 37 XZ -0.001255 0.243497 -0.098580 -0.074975 0.107331 435 C 37 YZ -0.248500 0.063688 -0.156696 0.241347 -0.031618 436 S 38 S 0.013113 -0.011066 0.007857 -0.004852 0.019570 437 S 38 S 0.090043 -0.072572 0.058294 -0.028676 0.129785 438 S 38 S 0.093020 -0.062849 0.078144 -0.010352 0.114060 439 S 38 S -0.210062 0.631619 -0.068659 -0.024856 -0.691659 440 S 38 X -0.009537 0.009748 -0.009766 0.016863 -0.035918 441 S 38 Y 0.001605 -0.029777 -0.025524 -0.002841 0.014352 442 S 38 Z -0.000907 0.000854 -0.002390 -0.000209 -0.002510 443 S 38 X -0.051073 0.048281 -0.056213 0.062994 -0.165036 444 S 38 Y 0.020162 -0.118720 -0.099415 -0.022428 0.067905 445 S 38 Z 0.000966 0.002443 -0.011945 -0.004717 -0.009795 446 S 38 X -0.097813 0.037790 -0.114664 -0.013768 -0.212797 447 S 38 Y 0.004993 -0.300334 -0.073581 -0.080874 0.201431 448 S 38 Z -0.017749 0.009370 -0.045652 0.021809 0.008312 449 S 38 XX -0.028355 -0.028867 -0.111397 0.013686 -0.118318 450 S 38 YY -0.034371 0.089984 0.104608 0.042890 0.008198 451 S 38 ZZ 0.062726 -0.061117 0.006789 -0.056575 0.110120 452 S 38 XY 0.016877 -0.046165 0.031626 0.016905 0.075588 453 S 38 XZ 0.004473 0.006539 0.015817 0.004629 -0.008741 454 S 38 YZ 0.003633 -0.002828 0.037676 0.005398 0.000289 455 S 38 XX -0.007847 -0.001223 -0.014990 0.004796 -0.018654 456 S 38 YY -0.004615 0.008610 0.009974 0.002701 0.000675 457 S 38 ZZ 0.012462 -0.007387 0.005016 -0.007497 0.017978 458 S 38 XY 0.007950 -0.015786 0.008605 0.002900 0.020994 459 S 38 XZ 0.001749 0.003495 0.006874 0.000943 -0.001970 460 S 38 YZ 0.001703 0.000285 0.011569 0.000490 0.001417 461 H 39 S 0.091357 0.015099 0.117197 0.107669 0.373029 462 H 39 S 0.299461 0.214396 0.210612 0.417226 0.210320 463 H 39 X -0.155643 0.088013 -0.217681 -0.056773 -0.401926 464 H 39 Y -0.215157 0.118503 0.002359 0.183545 0.089891 465 H 39 Z -0.081015 -0.090765 0.043213 0.068649 -0.030179 371 372 373 374 375 2.7046 2.7121 2.7165 2.7382 2.7463 A A A A A 1 C 1 S 0.033422 0.088773 0.026465 -0.189552 0.260986 2 C 1 S 0.062895 0.158179 0.056699 -0.352597 0.512048 3 C 1 S 0.496555 -0.950535 -0.535265 2.483692 -1.333633 4 C 1 X -0.059931 0.033765 0.198781 -0.053915 -0.115802 5 C 1 Y -0.009254 0.010741 -0.251565 -0.021371 0.022069 6 C 1 Z 0.022677 0.002752 -0.023012 -0.001251 0.016595 7 C 1 X -0.650330 0.302711 0.840914 -1.369637 0.038272 8 C 1 Y 0.185708 -0.387913 0.226991 0.830117 -0.429570 9 C 1 Z -0.015856 -0.061497 -0.050078 0.159010 -0.039152 10 C 1 XX 0.116730 -0.009661 -0.146383 0.142526 0.078795 11 C 1 YY -0.122565 -0.104586 0.170960 0.036566 -0.279922 12 C 1 ZZ 0.005835 0.114247 -0.024577 -0.179092 0.201127 13 C 1 XY 0.052718 -0.157386 0.076972 0.306867 -0.544563 14 C 1 XZ 0.001732 0.018880 0.011810 -0.037360 -0.029183 15 C 1 YZ -0.032005 -0.017750 0.007443 0.026963 -0.002978 16 C 2 S 0.065931 -0.040508 -0.003971 0.099233 -0.049539 17 C 2 S 0.084867 -0.047024 0.014624 0.146744 -0.081409 18 C 2 S -1.583378 1.135923 0.943207 -3.081902 -0.214039 19 C 2 X -0.026126 -0.110667 0.071562 0.060271 -0.242346 20 C 2 Y -0.146627 -0.110010 0.040812 0.062949 -0.212339 21 C 2 Z -0.011314 -0.001118 -0.005566 -0.008815 -0.003701 22 C 2 X -0.743124 0.264051 0.739965 -1.806274 0.540044 23 C 2 Y -0.761153 0.195357 -0.319640 -0.673734 -0.325977 24 C 2 Z 0.000493 0.000961 -0.062655 -0.017666 -0.018711 25 C 2 XX -0.001882 0.025799 0.228419 0.078828 -0.382324 26 C 2 YY -0.112887 0.130635 -0.148717 -0.261759 0.523282 27 C 2 ZZ 0.114770 -0.156434 -0.079701 0.182932 -0.140958 28 C 2 XY 0.133650 -0.032074 -0.009173 0.133252 -0.020895 29 C 2 XZ -0.037506 -0.002316 -0.028192 -0.009072 0.003714 30 C 2 YZ -0.124271 0.019230 -0.006601 -0.112319 0.047619 31 C 3 S -0.244342 0.012350 0.051466 -0.145516 -0.064768 32 C 3 S -0.413480 0.003725 0.102118 -0.221394 -0.176691 33 C 3 S 4.366999 -0.849940 -0.255184 2.417283 -0.799613 34 C 3 X -0.023951 -0.041545 0.050657 0.114658 -0.116104 35 C 3 Y -0.055164 0.057880 -0.055761 -0.128228 0.227039 36 C 3 Z -0.007892 -0.002393 -0.005003 0.004805 0.005092 37 C 3 X 0.887197 0.201046 -0.195340 2.255988 -0.603297 38 C 3 Y 1.115732 0.160063 -0.132664 0.015015 -1.804528 39 C 3 Z -0.088450 -0.045411 0.023252 0.196863 -0.200992 40 C 3 XX -0.002499 -0.027383 0.066218 0.134328 -0.174427 41 C 3 YY 0.262596 -0.039393 -0.108822 0.074754 0.096367 42 C 3 ZZ -0.260097 0.066777 0.042604 -0.209081 0.078060 43 C 3 XY -0.025225 -0.093492 0.003961 0.173065 -0.105705 44 C 3 XZ 0.149317 -0.043668 0.012711 0.138408 0.003461 45 C 3 YZ -0.007526 -0.012320 -0.011262 -0.018980 -0.013188 46 C 4 S 0.355503 0.073511 -0.005143 0.153743 -0.076443 47 C 4 S 0.567019 0.139597 -0.005589 0.226528 -0.125510 48 C 4 S -5.627493 -0.863107 0.246043 -2.468176 1.579465 49 C 4 X 0.052914 -0.043960 -0.014983 0.066882 -0.030657 50 C 4 Y -0.162953 -0.056047 -0.029725 -0.073742 -0.088677 51 C 4 Z 0.198839 0.002321 0.026563 0.046753 0.059409 52 C 4 X 1.374501 -0.054674 -0.031708 1.075592 -0.800241 53 C 4 Y -1.757146 -0.461346 -0.083847 0.985041 -0.048886 54 C 4 Z 2.206657 0.323930 -0.170607 1.109798 0.170637 55 C 4 XX 0.279532 0.115360 0.029966 -0.061913 0.036827 56 C 4 YY -0.412889 -0.088690 -0.097161 -0.155477 -0.001228 57 C 4 ZZ 0.133357 -0.026669 0.067195 0.217390 -0.035599 58 C 4 XY -0.104782 0.069647 -0.027447 -0.233240 0.220840 59 C 4 XZ -0.149779 0.001788 0.004919 -0.064617 0.101435 60 C 4 YZ 0.784882 0.106373 -0.040088 0.129786 0.198872 61 S 5 S -0.008434 -0.014525 0.009950 0.025851 -0.025876 62 S 5 S -0.060966 -0.098797 0.067822 0.178863 -0.171608 63 S 5 S -0.081865 -0.099477 0.066963 0.189616 -0.150259 64 S 5 S 0.153051 0.502250 -0.470315 -0.588533 0.985904 65 S 5 X 0.001546 -0.013994 0.004390 0.001857 -0.030799 66 S 5 Y 0.008878 -0.022221 0.022847 0.048948 -0.039380 67 S 5 Z -0.016326 -0.002095 0.002048 0.001642 -0.000877 68 S 5 X 0.012369 -0.062039 0.020950 0.027868 -0.137742 69 S 5 Y 0.020322 -0.089669 0.088649 0.174450 -0.167812 70 S 5 Z -0.059645 -0.007647 0.007809 0.009738 0.001506 71 S 5 X -0.070829 -0.194812 0.159140 0.244929 -0.296971 72 S 5 Y -0.049323 0.018649 0.063231 -0.157232 -0.241745 73 S 5 Z -0.111473 0.006109 -0.014424 -0.058579 0.073553 74 S 5 XX 0.005650 0.010013 0.008716 0.037338 -0.024644 75 S 5 YY 0.015717 0.052007 -0.053179 -0.123121 0.153061 76 S 5 ZZ -0.021367 -0.062020 0.044463 0.085783 -0.128417 77 S 5 XY 0.001123 0.054523 -0.021711 -0.086428 0.160001 78 S 5 XZ 0.047014 0.003266 0.001703 -0.006010 -0.024824 79 S 5 YZ -0.031025 -0.007443 0.002275 0.011556 0.006855 80 S 5 XX 0.004552 0.002826 0.003150 0.009668 -0.008627 81 S 5 YY -0.001805 0.006678 -0.012046 -0.024894 0.024727 82 S 5 ZZ -0.002747 -0.009505 0.008896 0.015226 -0.016100 83 S 5 XY 0.001574 0.005089 0.001976 0.000121 0.017004 84 S 5 XZ 0.005881 0.000756 0.000767 -0.004800 -0.006701 85 S 5 YZ -0.004453 -0.001937 0.000437 0.005514 0.001324 86 H 6 S -0.088024 -0.161687 -0.055296 0.005773 -0.189479 87 H 6 S -0.267490 -0.024219 0.123622 -0.359655 -0.028664 88 H 6 X -0.028454 -0.162122 0.041207 0.236533 -0.414002 89 H 6 Y 0.011191 -0.106922 -0.029588 0.001790 0.028403 90 H 6 Z -0.059418 0.002995 -0.006031 -0.036801 0.011246 91 C 7 S 0.145952 0.123410 -0.019251 -0.352534 -0.032938 92 C 7 S 0.270219 0.224701 -0.024013 -0.589444 -0.069700 93 C 7 S -2.781939 -1.319087 0.545559 5.647639 0.600214 94 C 7 X 0.107296 -0.016460 0.012153 0.166225 -0.014149 95 C 7 Y -0.021725 -0.034336 -0.026789 -0.010556 0.054920 96 C 7 Z -0.026139 -0.003687 -0.002725 -0.014410 -0.000175 97 C 7 X -0.107939 -0.763373 -0.356894 1.431460 0.654995 98 C 7 Y 1.317555 0.896209 -0.048560 -2.707574 -0.624137 99 C 7 Z -0.115135 0.165723 0.058384 -0.461841 -0.036235 100 C 7 XX -0.081447 -0.134629 0.101869 0.410893 -0.079024 101 C 7 YY 0.008115 0.045880 -0.053210 -0.041582 0.079752 102 C 7 ZZ 0.073332 0.088748 -0.048658 -0.369311 -0.000728 103 C 7 XY -0.130958 0.091312 0.052398 -0.308852 -0.045949 104 C 7 XZ 0.131830 0.055333 -0.016823 -0.183244 0.047575 105 C 7 YZ -0.024035 -0.028676 -0.016941 0.051084 0.044581 106 C 8 S -0.211009 -0.009334 -0.014778 0.204381 0.167333 107 C 8 S -0.407269 0.000319 -0.016683 0.393857 0.309876 108 C 8 S 1.757376 0.512626 0.513081 -2.483638 -1.609282 109 C 8 X 0.008258 0.139027 0.021396 0.006487 -0.065225 110 C 8 Y 0.048351 0.241696 -0.035621 0.055328 -0.066195 111 C 8 Z -0.003085 0.031006 -0.003604 0.010971 -0.009770 112 C 8 X -0.207319 -0.537075 -0.038641 -0.119537 0.597826 113 C 8 Y -1.002349 -0.110876 -0.359369 1.230498 0.757063 114 C 8 Z -0.245355 -0.020855 -0.046286 0.047358 0.100347 115 C 8 XX 0.330169 0.131964 -0.012458 -0.369766 -0.399004 116 C 8 YY -0.271009 -0.067816 0.058055 0.195719 0.208077 117 C 8 ZZ -0.059160 -0.064148 -0.045598 0.174047 0.190927 118 C 8 XY -0.082572 0.059591 -0.001787 0.212485 0.081088 119 C 8 XZ 0.029641 0.018791 0.002271 -0.021126 -0.027874 120 C 8 YZ 0.226395 0.009327 0.022200 0.099944 0.022972 121 C 9 S -0.254118 -0.140767 -0.014592 0.164435 0.094571 122 C 9 S -0.350059 -0.211948 -0.024824 0.251429 0.141936 123 C 9 S 5.639880 2.755101 0.293713 -3.096197 -2.421531 124 C 9 X 0.121493 -0.006825 0.006332 0.067300 -0.116537 125 C 9 Y -0.089326 0.050674 0.017803 -0.200321 -0.167814 126 C 9 Z 0.226237 0.062348 -0.007284 -0.087727 -0.031035 127 C 9 X -0.224516 -0.246739 0.125744 2.233912 -0.475384 128 C 9 Y -1.582478 0.289826 0.168268 -2.110614 -1.206928 129 C 9 Z 2.363432 0.766524 0.111076 -1.148319 -1.009419 130 C 9 XX -0.388522 0.029026 0.009084 -0.471541 -0.134535 131 C 9 YY 0.597408 0.060978 -0.062987 0.123984 0.041242 132 C 9 ZZ -0.208886 -0.090004 0.053903 0.347556 0.093294 133 C 9 XY 0.020344 0.016660 0.060665 0.160859 -0.288842 134 C 9 XZ 0.160057 -0.017657 0.056028 0.273562 -0.189264 135 C 9 YZ -0.694148 -0.041465 -0.063991 -0.355860 -0.225590 136 C 10 S -0.093069 -0.028725 -0.018476 0.153766 0.054187 137 C 10 S -0.139463 -0.054823 -0.036892 0.258438 0.078044 138 C 10 S 2.641727 0.563593 -0.145352 -3.276913 -1.544826 139 C 10 X 0.033090 -0.014214 -0.043273 0.023241 0.055975 140 C 10 Y 0.003181 0.045642 -0.051037 -0.031926 0.140426 141 C 10 Z -0.001459 0.002802 0.004685 -0.004454 0.009690 142 C 10 X 1.901200 0.515312 -0.233520 -2.164365 -0.624570 143 C 10 Y -0.760113 -0.535966 -0.492028 1.059058 1.268440 144 C 10 Z -0.123114 -0.115693 0.052349 0.437022 0.040120 145 C 10 XX -0.013723 -0.084757 -0.004384 0.134226 0.011201 146 C 10 YY 0.172996 0.098084 -0.004370 -0.332961 -0.069925 147 C 10 ZZ -0.159274 -0.013327 0.008754 0.198736 0.058724 148 C 10 XY -0.078055 -0.046362 -0.018688 0.089744 0.088531 149 C 10 XZ 0.014645 0.018116 -0.014227 -0.008198 0.070830 150 C 10 YZ 0.014302 0.012913 0.015161 -0.019264 -0.013459 151 C 11 S 0.076681 -0.051152 -0.019348 -0.096589 -0.049718 152 C 11 S 0.108632 -0.100756 -0.032398 -0.147337 -0.084945 153 C 11 S -2.385772 0.007211 -0.148585 2.942955 1.555963 154 C 11 X 0.002522 -0.020290 -0.026245 -0.018739 0.024606 155 C 11 Y -0.062770 -0.048825 0.004229 0.178738 0.014419 156 C 11 Z 0.011901 -0.004331 0.004104 0.027314 0.000673 157 C 11 X -1.512151 0.174545 0.156758 0.510322 0.710404 158 C 11 Y -0.953224 -0.524326 -0.230853 0.841333 1.563196 159 C 11 Z 0.064807 0.032972 -0.011524 -0.040534 0.124718 160 C 11 XX -0.042645 0.008631 0.120596 0.038205 -0.208040 161 C 11 YY -0.123387 0.034586 -0.078874 0.070281 0.246411 162 C 11 ZZ 0.166032 -0.043217 -0.041722 -0.108485 -0.038370 163 C 11 XY -0.115782 -0.021635 0.059162 0.004752 -0.061944 164 C 11 XZ 0.093354 -0.017131 0.010646 0.086263 0.013210 165 C 11 YZ -0.017438 0.008375 -0.000104 -0.035582 -0.021049 166 C 12 S -0.017600 -0.003065 -0.005340 0.023958 0.021363 167 C 12 S -0.036703 0.001014 -0.009606 0.037816 0.043814 168 C 12 S 0.705936 0.384638 -0.014120 -1.165192 -0.306955 169 C 12 X 0.008328 0.036444 -0.005610 -0.033718 0.011544 170 C 12 Y -0.000424 -0.004035 0.002523 -0.011884 -0.017052 171 C 12 Z -0.001935 -0.001577 -0.008010 -0.017958 0.000749 172 C 12 X 0.263185 0.059149 0.015209 -0.021671 -0.116751 173 C 12 Y 0.008875 -0.070195 0.088040 0.289461 -0.070908 174 C 12 Z -0.084916 0.028750 -0.051570 -0.114037 0.037399 175 C 12 XX -0.060493 -0.029105 0.004955 0.103883 0.031764 176 C 12 YY 0.037133 0.018116 0.005977 -0.039753 -0.019484 177 C 12 ZZ 0.023360 0.010989 -0.010932 -0.064130 -0.012280 178 C 12 XY -0.056560 -0.048602 0.027231 0.092597 -0.032307 179 C 12 XZ 0.007455 -0.001699 -0.003062 0.001284 0.010906 180 C 12 YZ -0.016469 0.001367 -0.001874 -0.018041 -0.012706 181 C 13 S -0.008705 -0.000021 -0.002225 -0.016276 0.017395 182 C 13 S -0.008838 0.001515 -0.003856 -0.031147 0.035741 183 C 13 S 0.217898 -0.027041 0.098114 0.426575 -0.084018 184 C 13 X 0.010712 0.008172 0.010253 0.013081 0.013371 185 C 13 Y -0.009987 -0.012633 -0.011046 0.012156 0.009441 186 C 13 Z 0.002070 0.008177 0.000675 0.006548 0.015533 187 C 13 X -0.011065 0.044474 0.026055 0.031384 -0.049608 188 C 13 Y -0.013445 -0.041771 -0.065448 0.076432 0.001610 189 C 13 Z 0.022773 -0.008881 0.051669 0.198201 -0.015071 190 C 13 XX 0.000243 -0.013880 0.004380 0.029632 -0.018337 191 C 13 YY -0.005138 0.026437 0.000045 -0.051742 0.007843 192 C 13 ZZ 0.004896 -0.012557 -0.004425 0.022110 0.010493 193 C 13 XY -0.009079 -0.013691 -0.014746 0.026218 0.013398 194 C 13 XZ -0.012590 0.000215 0.001308 0.005347 0.004543 195 C 13 YZ 0.024151 0.001934 -0.008338 -0.008764 -0.012207 196 C 14 S 0.037475 0.014234 0.002585 -0.006810 -0.005742 197 C 14 S 0.080590 0.023753 -0.010337 -0.015155 0.007267 198 C 14 S -0.686128 -0.156563 -0.208046 -0.076995 0.730286 199 C 14 X 0.035413 -0.004786 -0.046187 -0.048031 0.071291 200 C 14 Y 0.027414 0.008552 -0.005444 -0.022383 0.028628 201 C 14 Z 0.005259 -0.002789 -0.004498 -0.009616 -0.004424 202 C 14 X -0.049026 -0.035604 0.053754 0.082349 0.236759 203 C 14 Y -0.111574 0.009934 -0.062204 -0.335871 -0.050276 204 C 14 Z -0.012998 0.018115 -0.028374 -0.123771 -0.075625 205 C 14 XX 0.075435 -0.023325 -0.017265 0.031367 -0.001144 206 C 14 YY -0.033842 0.003101 -0.000463 -0.003436 0.008379 207 C 14 ZZ -0.041593 0.020223 0.017728 -0.027930 -0.007235 208 C 14 XY 0.013398 0.032108 -0.022567 -0.075456 0.065575 209 C 14 XZ 0.022545 -0.016037 0.007846 0.057554 -0.008546 210 C 14 YZ 0.043033 -0.006432 0.017887 0.056926 0.006433 211 F 15 S -0.022593 0.011502 -0.015962 -0.064302 0.005586 212 F 15 S -0.051425 0.023897 -0.035128 -0.137628 0.012688 213 F 15 S 0.069797 -0.066352 0.062148 0.303866 -0.014281 214 F 15 X -0.001640 -0.005967 -0.002283 0.010728 -0.000934 215 F 15 Y 0.000990 -0.002601 0.004382 0.014749 0.003267 216 F 15 Z 0.009468 0.003130 -0.000810 -0.008002 -0.005424 217 F 15 X 0.001605 0.010675 0.008980 -0.016170 -0.003460 218 F 15 Y -0.006215 0.010432 -0.012760 -0.048045 -0.003988 219 F 15 Z -0.011476 0.018618 -0.011749 -0.084728 0.001671 220 F 15 XX -0.002833 -0.005956 -0.000200 0.013945 0.005566 221 F 15 YY 0.005359 0.002916 0.002034 -0.001673 -0.005359 222 F 15 ZZ -0.002526 0.003040 -0.001835 -0.012272 -0.000206 223 F 15 XY -0.004567 -0.003293 -0.000584 0.010623 0.001965 224 F 15 XZ -0.002982 -0.001239 0.002911 0.008210 -0.001847 225 F 15 YZ -0.001830 -0.000842 -0.000161 0.000868 0.000657 226 F 16 S 0.011580 0.004827 0.007498 -0.016746 -0.007743 227 F 16 S 0.023517 0.010220 0.016534 -0.037398 -0.018340 228 F 16 S -0.078285 -0.021214 -0.039446 0.050475 0.032907 229 F 16 X 0.006043 0.011345 -0.000148 -0.017656 -0.003711 230 F 16 Y 0.017141 0.006834 0.001996 -0.004498 -0.007899 231 F 16 Z -0.006014 -0.001769 0.002875 -0.000099 -0.003077 232 F 16 X -0.005916 -0.012173 -0.003691 -0.002243 -0.000230 233 F 16 Y 0.009316 0.005311 -0.004985 -0.033874 0.020466 234 F 16 Z -0.011240 -0.014258 -0.006325 0.037545 0.008422 235 F 16 XX -0.011649 -0.004961 0.000433 0.010930 0.003256 236 F 16 YY 0.007666 0.002053 -0.002007 -0.006806 0.001807 237 F 16 ZZ 0.003982 0.002909 0.001574 -0.004124 -0.005063 238 F 16 XY 0.007357 0.004333 -0.003560 -0.011695 -0.000553 239 F 16 XZ -0.000977 -0.002921 0.002129 0.008372 -0.003085 240 F 16 YZ -0.002104 -0.006092 0.001190 0.013743 -0.003366 241 F 17 S -0.009343 -0.005186 -0.012913 0.044329 0.033760 242 F 17 S -0.021873 -0.011189 -0.029885 0.095718 0.073138 243 F 17 S 0.033335 0.028368 0.033671 -0.210026 -0.163803 244 F 17 X -0.000066 0.003445 -0.002766 -0.004285 -0.002628 245 F 17 Y -0.005079 0.004377 -0.008032 -0.015587 0.003191 246 F 17 Z -0.004247 -0.001316 -0.008299 0.005791 0.005098 247 F 17 X -0.015900 -0.007201 -0.007143 0.005424 0.025304 248 F 17 Y 0.011574 -0.005693 0.014436 0.001454 -0.036463 249 F 17 Z 0.012566 0.006268 0.018525 -0.048920 -0.041418 250 F 17 XX 0.006246 0.001094 0.001629 -0.005372 -0.013144 251 F 17 YY -0.002358 0.000153 0.000897 0.002442 0.005094 252 F 17 ZZ -0.003888 -0.001246 -0.002526 0.002931 0.008050 253 F 17 XY -0.000303 0.003284 0.003546 -0.001897 -0.006131 254 F 17 XZ 0.003167 -0.002480 0.002286 0.004270 -0.009139 255 F 17 YZ 0.003604 0.000799 -0.003720 0.004713 0.004447 256 F 18 S -0.009589 -0.003995 -0.029908 -0.022876 -0.000185 257 F 18 S -0.018693 -0.010297 -0.065500 -0.046355 -0.001962 258 F 18 S 0.070180 0.006876 0.120081 0.123273 -0.018503 259 F 18 X 0.009046 -0.000540 0.000250 -0.007580 -0.001724 260 F 18 Y -0.002218 0.000006 -0.007774 -0.010059 -0.001807 261 F 18 Z -0.012832 0.011079 0.002759 -0.027355 0.001539 262 F 18 X -0.022334 -0.004355 -0.000497 0.030433 0.005622 263 F 18 Y 0.014194 -0.003125 0.027935 0.060979 0.010124 264 F 18 Z -0.026370 -0.008726 -0.032564 -0.005992 0.023941 265 F 18 XX 0.007917 0.000612 0.005331 0.004984 -0.011108 266 F 18 YY -0.000521 -0.002551 0.001618 0.006114 0.002116 267 F 18 ZZ -0.007396 0.001940 -0.006949 -0.011098 0.008991 268 F 18 XY 0.002150 0.001323 -0.001748 0.002568 0.004308 269 F 18 XZ 0.000204 -0.000007 -0.000977 0.000052 0.003374 270 F 18 YZ -0.003742 0.000039 0.002559 0.004906 0.004078 271 C 19 S -0.054148 0.475006 -0.003057 0.106934 -0.070281 272 C 19 S -0.153717 1.183610 -0.007658 0.272192 -0.161215 273 C 19 S -0.152506 1.374277 0.099244 0.286332 -0.261767 274 C 19 X -0.343054 0.182866 0.033162 0.554443 0.351716 275 C 19 Y 0.071257 0.632917 0.000829 -0.058905 -0.228707 276 C 19 Z -0.260847 0.045319 0.000964 -0.203446 -0.226760 277 C 19 X -0.476352 0.281334 -0.022741 0.617679 0.348112 278 C 19 Y 0.153511 0.474440 -0.006080 -0.094610 -0.223931 279 C 19 Z -0.077516 0.034622 -0.003459 -0.066033 -0.173122 280 C 19 XX -0.241237 -0.114938 0.020361 0.406461 0.328829 281 C 19 YY 0.009066 -0.382546 -0.005824 -0.067260 0.135987 282 C 19 ZZ 0.232172 0.497484 -0.014538 -0.339202 -0.464817 283 C 19 XY 0.254724 -0.478269 -0.025449 -0.406409 -0.139847 284 C 19 XZ 0.309499 -0.070338 0.005132 0.137288 0.119239 285 C 19 YZ -0.147925 -0.163103 0.003718 -0.175065 -0.139381 286 H 20 S 0.520569 -0.518313 -0.029544 -0.763101 -0.423852 287 H 20 S 0.335104 -0.388447 -0.007434 -0.495536 -0.188920 288 H 20 X -0.468224 0.673154 0.032786 0.729056 0.330026 289 H 20 Y 0.035407 -0.140876 0.005610 -0.048209 -0.003239 290 H 20 Z -0.141405 0.013748 -0.000399 -0.023913 0.005800 291 H 21 S -0.225119 -0.832788 0.006818 -0.136862 0.090255 292 H 21 S -0.113718 -0.398030 -0.001264 -0.028395 0.046347 293 H 21 X 0.063825 -0.176569 0.004101 0.026118 0.036610 294 H 21 Y 0.186470 0.646968 -0.013399 0.074811 -0.111201 295 H 21 Z -0.113252 -0.689876 -0.001033 -0.178246 0.023214 296 C 22 S 0.017566 0.010585 0.481450 -0.045215 0.056337 297 C 22 S 0.050941 0.031776 1.206016 -0.110581 0.142785 298 C 22 S 0.279039 -0.017919 1.333254 0.217516 0.226584 299 C 22 X -0.003934 -0.119990 0.420700 0.215956 -0.489040 300 C 22 Y 0.033782 -0.086167 -0.522530 0.230161 -0.388940 301 C 22 Z -0.083858 -0.010513 -0.047690 -0.006645 0.068974 302 C 22 X 0.144241 -0.088214 0.130765 0.276485 -0.362672 303 C 22 Y 0.180416 -0.075017 -0.599555 0.374367 -0.308807 304 C 22 Z -0.009205 0.009153 -0.036137 0.005508 0.046830 305 C 22 XX 0.032239 0.166341 0.040868 -0.235456 0.494680 306 C 22 YY -0.023037 -0.016934 -0.540199 0.017887 0.026202 307 C 22 ZZ -0.009202 -0.149407 0.499331 0.217569 -0.520882 308 C 22 XY -0.032350 0.066885 0.427434 -0.230722 0.391651 309 C 22 XZ -0.078926 -0.019094 0.044808 -0.009600 0.058355 310 C 22 YZ -0.004438 -0.012036 -0.083652 0.036438 0.016820 311 H 23 S 0.026898 -0.172127 -0.617094 0.403251 -0.758034 312 H 23 S 0.050125 -0.087838 -0.476039 0.296491 -0.412899 313 H 23 X 0.033328 -0.064035 -0.535921 0.203770 -0.335696 314 H 23 Y -0.047911 -0.162948 -0.545277 0.318234 -0.646855 315 H 23 Z -0.021816 -0.020413 -0.013809 0.027124 -0.023287 316 H 24 S 0.000838 0.037905 -0.799298 -0.054514 0.126730 317 H 24 S 0.007731 0.026710 -0.364594 -0.060502 0.066805 318 H 24 X -0.062579 -0.071467 0.632014 0.057418 -0.190891 319 H 24 Y 0.025395 0.016904 -0.155989 -0.012054 0.043024 320 H 24 Z 0.002228 0.003501 0.680268 -0.000981 0.024616 321 H 25 S -0.114252 0.032473 -0.799916 -0.084935 0.261748 322 H 25 S -0.071172 0.022026 -0.368329 -0.054462 0.131389 323 H 25 X 0.011702 -0.068215 0.583843 0.068684 -0.259636 324 H 25 Y -0.015358 -0.004866 -0.077466 0.023964 0.055744 325 H 25 Z -0.121746 -0.010851 -0.739082 -0.025818 0.102262 326 C 26 S -0.158103 -0.053911 0.004184 0.170298 0.144029 327 C 26 S -0.281548 -0.089992 0.019104 0.372508 0.314389 328 C 26 S 1.051773 0.406262 0.158047 -0.394191 -0.417709 329 C 26 X 0.016278 -0.058077 0.047130 0.113045 -0.030817 330 C 26 Y 0.058730 0.063725 -0.048807 -0.303227 0.060288 331 C 26 Z 0.016829 -0.053589 -0.037815 -0.131903 -0.087454 332 C 26 X 0.196060 -0.091885 0.023065 0.113946 -0.076056 333 C 26 Y 0.466418 0.119982 -0.043932 -0.271457 0.044164 334 C 26 Z 0.455499 0.131706 0.011588 -0.393997 -0.360916 335 C 26 XX 0.132192 -0.043487 0.090586 0.438155 0.029786 336 C 26 YY -0.288233 0.044383 -0.062092 -0.218442 0.008807 337 C 26 ZZ 0.156041 -0.000896 -0.028494 -0.219714 -0.038593 338 C 26 XY 0.040871 0.001936 -0.019768 0.075738 0.068202 339 C 26 XZ 0.099516 0.039589 0.013624 0.002094 -0.114130 340 C 26 YZ -0.303225 -0.072906 -0.026524 -0.042341 -0.190366 341 H 27 S 0.021288 -0.036899 -0.025728 -0.221863 -0.059944 342 H 27 S 0.183926 -0.035304 -0.020323 -0.145183 -0.094725 343 H 27 X 0.201515 0.003409 -0.002744 -0.137343 -0.023651 344 H 27 Y -0.089599 -0.045803 -0.047253 -0.217926 -0.106064 345 H 27 Z -0.141153 -0.026492 0.005790 -0.104859 -0.126301 346 H 28 S -0.134975 -0.165584 0.009459 0.245774 -0.145115 347 H 28 S -0.048713 -0.034238 0.016035 0.088610 -0.125240 348 H 28 X -0.034087 -0.007853 0.018472 0.028299 -0.090868 349 H 28 Y 0.163408 0.101872 0.014082 -0.015088 0.205219 350 H 28 Z 0.192096 -0.052643 0.036322 0.207304 -0.027958 351 H 29 S -0.072371 0.056237 -0.104959 -0.428013 0.004862 352 H 29 S -0.009989 0.063301 -0.045792 -0.284918 -0.028176 353 H 29 X -0.153417 -0.050165 0.068406 0.279331 0.059287 354 H 29 Y -0.220627 0.018723 -0.053521 -0.245278 -0.106093 355 H 29 Z -0.137396 0.003763 -0.061416 -0.305606 0.031147 356 C 30 S 0.127844 0.021071 0.007692 -0.049589 0.103346 357 C 30 S 0.230309 0.043668 0.029656 -0.165819 0.264395 358 C 30 S -0.785864 -0.041494 0.214885 -0.920016 0.127963 359 C 30 X 0.090018 0.003074 -0.104884 -0.079475 -0.042340 360 C 30 Y 0.038762 -0.097388 0.004075 0.300953 0.184860 361 C 30 Z 0.023942 0.017313 0.055687 -0.128460 0.159110 362 C 30 X -0.076302 -0.046516 -0.052907 0.079913 -0.031373 363 C 30 Y 0.482611 0.019048 -0.007427 0.277154 0.181132 364 C 30 Z 0.311787 0.043150 -0.010338 0.069709 0.230553 365 C 30 XX -0.139763 -0.088826 0.047755 0.133899 0.147888 366 C 30 YY 0.356172 0.094448 -0.004801 -0.122245 0.111674 367 C 30 ZZ -0.216409 -0.005622 -0.042954 -0.011654 -0.259562 368 C 30 XY 0.068957 -0.005295 -0.097746 -0.032548 -0.032336 369 C 30 XZ -0.031277 0.007475 -0.034265 -0.051597 0.027591 370 C 30 YZ 0.332221 -0.003957 -0.062380 0.258586 0.148214 371 H 31 S 0.102334 -0.093100 -0.073427 0.511114 -0.002744 372 H 31 S 0.075641 -0.047976 -0.001897 0.263389 -0.019995 373 H 31 X 0.044688 0.015628 -0.011013 -0.043987 -0.018016 374 H 31 Y 0.179782 -0.064923 -0.055843 0.450324 -0.013481 375 H 31 Z 0.256615 0.096216 0.003607 -0.220487 0.097805 376 H 32 S 0.066922 0.026495 -0.131641 -0.004567 -0.294661 377 H 32 S -0.101679 -0.010574 -0.086021 0.026295 -0.190550 378 H 32 X -0.136558 0.001807 -0.103461 -0.057795 -0.300636 379 H 32 Y -0.219997 -0.033112 0.075536 -0.083224 0.100892 380 H 32 Z -0.185801 -0.041056 0.067528 0.007573 0.124116 381 H 33 S -0.108436 0.050297 0.038937 -0.011563 -0.210907 382 H 33 S -0.077218 0.031417 0.020971 -0.048120 -0.143036 383 H 33 X 0.257911 0.007296 -0.049743 -0.050344 0.260276 384 H 33 Y -0.140525 -0.057456 0.003019 -0.047498 0.068640 385 H 33 Z -0.042012 -0.048783 -0.005617 0.038809 0.016010 386 H 34 S 0.165375 -0.775333 0.006328 0.239043 0.497498 387 H 34 S 0.035958 -0.362098 0.002926 0.110135 0.244396 388 H 34 X -0.050930 -0.233969 -0.001423 0.037264 0.121839 389 H 34 Y -0.091065 0.456017 -0.017013 -0.146812 -0.283024 390 H 34 Z -0.212825 0.749031 -0.002099 -0.134497 -0.363372 391 F 35 S 0.012111 -0.011107 -0.009190 0.006141 0.001370 392 F 35 S 0.025478 -0.024103 -0.020811 0.011711 0.003736 393 F 35 S -0.065494 0.051900 0.021737 -0.069273 0.001572 394 F 35 X -0.003574 0.002342 -0.003418 -0.007399 0.001399 395 F 35 Y -0.003197 -0.002764 -0.002372 -0.000792 0.006588 396 F 35 Z -0.003784 0.000980 0.002241 0.004111 -0.005797 397 F 35 X -0.011271 0.007352 0.008797 -0.011139 0.007781 398 F 35 Y -0.004678 0.007284 0.007255 0.000789 -0.010292 399 F 35 Z 0.013852 -0.011708 -0.005344 -0.000833 0.007003 400 F 35 XX 0.001241 -0.000036 -0.002556 -0.001814 0.001624 401 F 35 YY -0.000563 0.001739 0.000688 -0.003603 -0.000629 402 F 35 ZZ -0.000678 -0.001704 0.001868 0.005417 -0.000995 403 F 35 XY 0.008687 0.001847 0.001088 -0.006399 -0.003873 404 F 35 XZ 0.000511 0.002961 0.000184 -0.002278 0.001558 405 F 35 YZ -0.000285 0.001444 -0.000278 -0.002561 0.002739 406 F 36 S 0.013863 -0.011107 -0.005532 -0.021833 -0.009205 407 F 36 S 0.030048 -0.024136 -0.011778 -0.050486 -0.021723 408 F 36 S -0.058835 0.041036 0.026476 0.069003 0.025394 409 F 36 X -0.006071 -0.000035 0.002637 -0.003932 -0.006982 410 F 36 Y 0.007447 -0.000655 -0.000555 0.002086 -0.008045 411 F 36 Z 0.001015 0.001231 0.001783 -0.012483 -0.009210 412 F 36 X 0.012395 -0.001933 -0.006716 0.004284 0.016736 413 F 36 Y -0.007268 0.001929 0.000704 -0.013735 0.016197 414 F 36 Z -0.019103 0.012673 0.002067 0.008480 0.013498 415 F 36 XX -0.002272 -0.001101 0.001128 0.004213 -0.002893 416 F 36 YY 0.000053 0.003263 -0.000774 -0.003484 0.002784 417 F 36 ZZ 0.002219 -0.002162 -0.000355 -0.000730 0.000110 418 F 36 XY 0.000272 0.001164 0.002132 -0.000198 -0.003125 419 F 36 XZ 0.000531 0.000364 0.000270 -0.001782 -0.002222 420 F 36 YZ -0.002446 0.000914 0.001730 0.002083 -0.000674 421 C 37 S 0.247183 0.046357 0.025495 -0.029168 -0.168966 422 C 37 S 0.466526 0.082224 0.028242 -0.013753 -0.252256 423 C 37 S -2.495180 -0.784274 -0.830985 2.378518 3.152210 424 C 37 X 0.010974 -0.019005 -0.054568 0.142786 0.132856 425 C 37 Y 0.064607 0.077884 -0.014476 -0.116391 -0.176655 426 C 37 Z 0.011998 0.009350 0.000972 0.005717 -0.010674 427 C 37 X 1.229908 0.777122 0.268846 -1.249974 -1.392335 428 C 37 Y -0.101922 0.441017 -0.096102 1.499053 -0.474745 429 C 37 Z -0.057002 0.065779 0.000808 0.190397 -0.049431 430 C 37 XX -0.101971 -0.045780 -0.028967 0.126639 0.258260 431 C 37 YY -0.039312 0.037711 -0.058279 0.017111 0.074511 432 C 37 ZZ 0.141283 0.008069 0.087247 -0.143750 -0.332770 433 C 37 XY -0.410334 -0.213515 0.049688 0.275938 0.426116 434 C 37 XZ -0.260927 -0.058420 0.002465 0.028749 0.003973 435 C 37 YZ 0.107148 -0.012328 -0.017517 0.125938 0.045236 436 S 38 S -0.001535 0.009505 0.001977 -0.017919 -0.020546 437 S 38 S -0.017014 0.063263 0.013865 -0.120398 -0.138497 438 S 38 S -0.044035 0.055519 0.015786 -0.112941 -0.131955 439 S 38 S -0.441507 -0.662549 -0.117890 1.010675 0.991714 440 S 38 X -0.033232 -0.022527 -0.003896 0.031314 0.043657 441 S 38 Y 0.003336 -0.001798 0.000974 -0.007683 -0.003533 442 S 38 Z 0.000264 -0.002260 -0.000834 0.003572 0.002435 443 S 38 X -0.130812 -0.092330 -0.015808 0.150827 0.191266 444 S 38 Y -0.002443 -0.006598 0.002884 -0.023412 -0.008104 445 S 38 Z -0.002267 -0.009070 -0.002986 0.012958 0.007230 446 S 38 X -0.139009 -0.065061 -0.003097 0.079280 0.332724 447 S 38 Y 0.040779 0.224524 0.065645 -0.326044 -0.199911 448 S 38 Z -0.002455 -0.013172 0.003540 0.021904 -0.018626 449 S 38 XX -0.157541 -0.065135 -0.012341 0.162543 0.190880 450 S 38 YY 0.120267 0.015886 0.007866 -0.091702 -0.103837 451 S 38 ZZ 0.037274 0.049249 0.004474 -0.070841 -0.087043 452 S 38 XY -0.022311 -0.020251 0.012767 -0.018416 -0.022333 453 S 38 XZ -0.020342 -0.005983 -0.000161 -0.002410 0.009863 454 S 38 YZ 0.015529 0.007011 0.001058 -0.005714 0.016316 455 S 38 XX -0.021139 -0.010060 -0.002107 0.021544 0.027707 456 S 38 YY 0.019506 0.000739 0.000440 -0.014495 -0.014193 457 S 38 ZZ 0.001633 0.009321 0.001666 -0.007050 -0.013513 458 S 38 XY -0.010108 -0.005620 0.003380 -0.005101 -0.002404 459 S 38 XZ -0.006968 -0.001425 -0.000276 -0.003308 0.001770 460 S 38 YZ 0.004839 0.001826 0.000208 0.000016 0.006333 461 H 39 S -0.068522 -0.095727 0.082774 -0.042128 -0.251467 462 H 39 S -0.330755 -0.075495 -0.019844 0.339516 0.213010 463 H 39 X 0.121905 -0.024761 -0.098206 0.176255 0.229371 464 H 39 Y 0.163995 0.032963 0.000502 -0.239025 -0.166638 465 H 39 Z 0.140897 0.012596 -0.000797 -0.003023 0.015831 376 377 378 379 380 2.7574 2.7584 2.7677 2.7841 2.7895 A A A A A 1 C 1 S 0.032402 -0.115107 -0.004270 0.009413 0.012009 2 C 1 S 0.106825 -0.192968 0.008274 0.020148 0.021981 3 C 1 S 1.148991 1.839964 0.430712 0.157824 0.240912 4 C 1 X -0.156624 -0.118330 -0.058798 -0.029338 -0.021353 5 C 1 Y -0.034759 -0.034038 -0.014674 -0.008651 0.011475 6 C 1 Z 0.011713 -0.016309 0.009135 -0.047411 0.044323 7 C 1 X -0.428772 -0.914064 -0.395123 -0.294624 -0.209044 8 C 1 Y 0.790901 0.929754 0.426000 0.176077 -0.107796 9 C 1 Z 0.089157 0.217806 0.090332 0.111728 -0.079919 10 C 1 XX 0.070844 0.133893 0.054038 0.039508 0.038917 11 C 1 YY 0.019381 0.026609 -0.008486 -0.062079 -0.028902 12 C 1 ZZ -0.090225 -0.160502 -0.045551 0.022571 -0.010015 13 C 1 XY -0.092501 0.117191 -0.003901 0.000275 -0.018027 14 C 1 XZ -0.041282 -0.071217 -0.045564 0.047844 -0.039287 15 C 1 YZ 0.013444 0.007018 -0.007491 0.185843 -0.149758 16 C 2 S 0.044060 -0.005450 -0.027491 0.000956 0.034177 17 C 2 S -0.007016 -0.088750 -0.095057 -0.005000 0.061503 18 C 2 S -2.865884 -2.367490 -0.869395 -0.441608 -0.632127 19 C 2 X 0.106777 0.071694 0.034531 -0.034517 -0.015726 20 C 2 Y -0.150230 -0.036980 -0.068356 -0.073525 0.032590 21 C 2 Z 0.002248 -0.021376 0.004279 -0.014853 0.010612 22 C 2 X -0.148053 -0.991291 -0.153118 -0.253204 -0.354171 23 C 2 Y -1.386383 -0.717514 -0.304595 -0.193562 -0.132968 24 C 2 Z -0.066845 -0.026721 -0.038827 0.050558 -0.032066 25 C 2 XX -0.269962 -0.135758 -0.106063 -0.023298 -0.035695 26 C 2 YY -0.065715 -0.133630 -0.023128 0.030592 0.010661 27 C 2 ZZ 0.335678 0.269388 0.129191 -0.007294 0.025034 28 C 2 XY 0.135711 0.122377 0.056589 0.058405 -0.010834 29 C 2 XZ 0.028869 -0.003495 0.002452 0.017963 -0.021363 30 C 2 YZ -0.012740 -0.025554 0.024312 -0.126388 0.061051 31 C 3 S -0.328378 -0.298524 -0.237288 -0.118732 0.046289 32 C 3 S -0.551170 -0.478130 -0.400554 -0.204683 0.077269 33 C 3 S 5.648995 5.301316 4.037959 1.862177 -0.921880 34 C 3 X -0.039936 0.065677 0.011367 0.001992 -0.021802 35 C 3 Y -0.030986 -0.018594 0.022401 0.011538 0.009318 36 C 3 Z -0.004964 -0.014770 0.012753 0.033353 -0.028383 37 C 3 X -0.945741 1.134049 -0.547505 0.217886 0.867433 38 C 3 Y -0.244261 1.193129 0.982899 0.445808 -0.541656 39 C 3 Z 0.030022 0.299001 0.026193 -0.029009 0.008153 40 C 3 XX -0.179363 0.018423 -0.015690 0.038116 0.000944 41 C 3 YY 0.602552 0.391944 0.255563 0.087690 -0.050447 42 C 3 ZZ -0.423189 -0.410368 -0.239873 -0.125806 0.049503 43 C 3 XY -0.057479 0.156697 -0.004266 0.002727 0.043559 44 C 3 XZ 0.076710 0.143287 0.047976 0.072179 -0.015711 45 C 3 YZ 0.078319 0.066324 0.021406 -0.057368 0.046394 46 C 4 S -0.122659 0.231606 0.104269 0.112627 0.069301 47 C 4 S -0.246932 0.450666 0.202717 0.203666 0.100646 48 C 4 S 0.993264 -1.712733 -0.838591 -1.191845 -1.248892 49 C 4 X 0.058947 0.101803 0.050934 0.030446 -0.003899 50 C 4 Y 0.095918 0.139977 0.108418 -0.014558 -0.084533 51 C 4 Z -0.127837 0.169985 -0.062722 0.035362 0.067335 52 C 4 X 0.651033 1.644146 0.642692 0.440089 0.132089 53 C 4 Y 0.782301 1.553248 0.622466 0.301292 -0.626710 54 C 4 Z -0.086135 0.740761 0.028563 0.397333 0.723324 55 C 4 XX -0.290021 -0.415376 -0.216134 -0.041894 0.107640 56 C 4 YY 0.318282 0.101385 0.181199 -0.033533 -0.167055 57 C 4 ZZ -0.028261 0.313991 0.034935 0.075426 0.059415 58 C 4 XY -0.017036 -0.248989 -0.105175 -0.051700 0.072427 59 C 4 XZ 0.015695 -0.071831 -0.011967 -0.020150 -0.025932 60 C 4 YZ -0.045102 -0.046413 -0.137629 0.044103 0.234342 61 S 5 S 0.018733 0.017649 -0.003187 -0.001526 -0.001058 62 S 5 S 0.132516 0.123217 -0.023188 -0.008854 -0.006735 63 S 5 S 0.156977 0.134923 -0.030559 -0.002461 -0.005190 64 S 5 S -0.736376 -0.574513 -0.013238 0.122745 0.080652 65 S 5 X 0.005567 -0.004875 -0.003038 -0.010534 -0.001087 66 S 5 Y 0.004890 0.033687 0.007112 0.006001 0.003196 67 S 5 Z -0.001234 -0.006379 0.008779 0.000556 -0.005730 68 S 5 X 0.024389 -0.005395 -0.012001 -0.041042 -0.004380 69 S 5 Y 0.019104 0.122707 0.026535 0.016674 0.008732 70 S 5 Z -0.002123 -0.021492 0.031790 -0.004471 -0.013027 71 S 5 X 0.288504 0.227668 0.005237 -0.047885 -0.020325 72 S 5 Y -0.065795 -0.102244 -0.055496 -0.079986 -0.039211 73 S 5 Z -0.039749 0.008060 -0.083057 -0.045447 0.021382 74 S 5 XX -0.014406 0.024863 0.011580 0.025427 -0.000688 75 S 5 YY -0.007514 -0.084309 -0.017196 -0.007020 0.011571 76 S 5 ZZ 0.021919 0.059447 0.005616 -0.018407 -0.010883 77 S 5 XY -0.022072 -0.088267 -0.038332 -0.000776 0.002143 78 S 5 XZ -0.003340 -0.016856 -0.003888 0.023947 -0.017226 79 S 5 YZ -0.003271 0.002037 -0.018753 0.025800 -0.017804 80 S 5 XX -0.008436 -0.000856 -0.001893 0.005630 0.001508 81 S 5 YY 0.004417 -0.013194 -0.001551 -0.002608 -0.000183 82 S 5 ZZ 0.004019 0.014050 0.003444 -0.003022 -0.001325 83 S 5 XY -0.008450 -0.007971 -0.009256 0.001383 0.002176 84 S 5 XZ -0.002026 -0.005944 0.000553 0.009557 -0.009148 85 S 5 YZ 0.000339 0.001302 -0.008613 0.007762 -0.003925 86 H 6 S 0.144857 0.116148 0.072976 -0.070800 -0.002155 87 H 6 S -0.138432 -0.160058 -0.004513 -0.086377 -0.079723 88 H 6 X -0.019647 0.125602 0.013982 -0.050999 0.016638 89 H 6 Y 0.270257 0.190641 0.113164 -0.014717 0.014201 90 H 6 Z 0.014710 -0.006323 0.023605 -0.058793 0.027793 91 C 7 S -0.339139 -0.299681 -0.126912 -0.057039 -0.040079 92 C 7 S -0.613746 -0.542317 -0.242047 -0.102929 -0.067059 93 C 7 S 3.945802 3.092458 0.398423 0.446046 0.751866 94 C 7 X 0.021557 0.088950 0.063790 -0.008689 0.022161 95 C 7 Y 0.039390 0.019944 0.011723 -0.003881 0.013253 96 C 7 Z 0.007881 -0.019780 0.012268 0.004159 -0.021422 97 C 7 X 0.818383 0.605010 1.058479 0.527935 0.002615 98 C 7 Y -2.045291 -1.140376 -0.176142 -0.127450 -0.278105 99 C 7 Z -0.246752 -0.134748 -0.320726 -0.138882 -0.057417 100 C 7 XX -0.138851 0.023887 -0.105064 -0.012006 0.140849 101 C 7 YY 0.398833 0.166365 0.160724 0.056849 -0.107388 102 C 7 ZZ -0.259982 -0.190252 -0.055661 -0.044843 -0.033460 103 C 7 XY -0.041690 -0.040822 -0.040362 0.015159 -0.045750 104 C 7 XZ -0.076996 -0.098659 -0.082145 -0.020325 -0.012368 105 C 7 YZ 0.077826 -0.031596 0.004556 -0.008133 0.005975 106 C 8 S 0.089844 0.020571 -0.114317 0.030719 0.017130 107 C 8 S 0.131552 0.025808 -0.235800 0.054616 0.037402 108 C 8 S -2.775727 -1.295341 -0.079476 -0.512968 -0.034614 109 C 8 X -0.082134 0.014344 -0.012759 -0.005418 -0.002135 110 C 8 Y 0.173549 0.103220 0.104133 0.004870 -0.012266 111 C 8 Z 0.020345 0.005909 0.030405 0.038361 0.051695 112 C 8 X -0.285860 -0.500301 -0.113757 -0.027989 -0.006081 113 C 8 Y 1.865412 0.807974 0.199654 0.302780 -0.028217 114 C 8 Z 0.216188 0.064754 -0.018452 -0.022584 -0.092541 115 C 8 XX 0.064323 0.138352 0.196327 -0.037278 -0.058512 116 C 8 YY -0.237626 -0.160638 -0.127039 -0.016243 0.002574 117 C 8 ZZ 0.173304 0.022286 -0.069288 0.053521 0.055938 118 C 8 XY 0.139801 0.047250 -0.072974 0.025574 0.022499 119 C 8 XZ 0.009162 -0.005638 0.000018 0.138333 0.212283 120 C 8 YZ -0.068594 -0.022467 -0.038734 0.037991 0.097158 121 C 9 S 0.273284 0.213784 0.278050 0.084973 -0.094778 122 C 9 S 0.449256 0.374951 0.557835 0.163268 -0.170604 123 C 9 S -4.206256 -2.216502 -1.491323 -0.654336 0.882023 124 C 9 X 0.007341 0.045674 0.031841 -0.018844 0.061008 125 C 9 Y -0.030337 0.049231 0.058266 -0.024602 -0.056465 126 C 9 Z 0.009801 0.021650 -0.228758 -0.029697 0.056672 127 C 9 X 0.911360 1.164143 0.564251 0.233305 0.088222 128 C 9 Y -0.453669 -0.397984 -0.295787 -0.663971 -0.989415 129 C 9 Z -1.498283 -0.734050 -0.540788 -0.104034 0.552538 130 C 9 XX -0.166494 -0.051336 -0.096578 -0.052729 -0.098637 131 C 9 YY 0.055200 0.001855 -0.106592 0.005305 0.168940 132 C 9 ZZ 0.111294 0.049481 0.203170 0.047424 -0.070303 133 C 9 XY -0.096731 0.093520 0.041645 -0.065319 0.074362 134 C 9 XZ -0.068134 0.077789 0.038752 -0.038486 -0.035848 135 C 9 YZ 0.157272 0.156857 0.314102 -0.084855 -0.373723 136 C 10 S 0.066387 -0.081274 -0.089752 -0.021578 0.028154 137 C 10 S 0.110793 -0.152723 -0.162560 -0.041903 0.047100 138 C 10 S -1.966025 0.164328 0.943142 0.223336 -0.536535 139 C 10 X 0.044326 -0.012081 -0.008542 -0.016741 0.014532 140 C 10 Y -0.031935 -0.073481 -0.013607 -0.029446 0.007850 141 C 10 Z 0.000843 -0.024808 -0.000588 0.001093 -0.007980 142 C 10 X -1.186310 -0.594031 0.761027 0.189663 -0.676013 143 C 10 Y 0.259189 -0.657542 0.294993 0.174710 0.048514 144 C 10 Z 0.280673 0.242408 -0.038233 0.013341 0.126317 145 C 10 XX -0.244517 -0.078119 -0.067413 -0.051042 0.083970 146 C 10 YY 0.219781 0.122455 0.155018 0.059583 -0.123044 147 C 10 ZZ 0.024736 -0.044336 -0.087604 -0.008541 0.039074 148 C 10 XY 0.104248 0.087789 0.073157 -0.012995 0.047526 149 C 10 XZ 0.109685 -0.032813 -0.026915 -0.002740 0.027522 150 C 10 YZ -0.090808 -0.077901 -0.074565 -0.010483 0.013738 151 C 11 S 0.178351 0.100494 0.065630 0.001155 -0.043975 152 C 11 S 0.289368 0.150375 0.082130 -0.013240 -0.061029 153 C 11 S -2.596560 -2.109713 -2.244479 -0.499485 1.461620 154 C 11 X 0.010342 0.002466 0.007011 -0.009348 -0.006017 155 C 11 Y -0.024311 -0.013574 -0.037196 -0.002253 0.039878 156 C 11 Z -0.012341 -0.017397 0.005330 0.005772 -0.006773 157 C 11 X -1.193453 -0.848011 -1.609858 -0.608906 0.893491 158 C 11 Y 1.340813 -0.354106 0.398960 0.093520 -0.094088 159 C 11 Z -0.232459 -0.146555 -0.178316 0.001360 0.075560 160 C 11 XX -0.394948 -0.177934 -0.196200 -0.048110 0.067734 161 C 11 YY 0.106847 -0.028321 0.017000 -0.012186 0.018820 162 C 11 ZZ 0.288101 0.206255 0.179199 0.060296 -0.086554 163 C 11 XY -0.023901 -0.008991 -0.036500 -0.023879 0.061389 164 C 11 XZ 0.005589 0.046486 0.010166 0.061354 -0.001610 165 C 11 YZ -0.059904 -0.051828 -0.032633 -0.006965 -0.000585 166 C 12 S 0.058586 0.036082 0.025614 0.011782 0.001871 167 C 12 S 0.123930 0.070313 0.050329 0.023287 0.001543 168 C 12 S -0.659376 -0.519173 0.064520 -0.048772 -0.330587 169 C 12 X 0.082847 0.008860 0.025359 0.010197 -0.023125 170 C 12 Y -0.056703 -0.013608 -0.026177 -0.012413 0.013127 171 C 12 Z 0.027960 -0.006530 -0.000806 -0.002289 0.000834 172 C 12 X 0.045899 0.054375 0.091834 0.031926 -0.060641 173 C 12 Y 0.125522 0.330466 0.020838 0.056640 0.087712 174 C 12 Z 0.201248 0.001172 0.088858 0.010517 -0.054272 175 C 12 XX 0.143328 0.089344 0.029609 0.006184 0.022005 176 C 12 YY -0.106380 -0.076391 -0.055460 -0.007524 0.000597 177 C 12 ZZ -0.036948 -0.012952 0.025850 0.001340 -0.022601 178 C 12 XY -0.012802 0.045661 -0.011126 -0.023489 0.041712 179 C 12 XZ -0.005983 -0.032154 -0.019219 -0.007119 0.013011 180 C 12 YZ 0.025571 0.026971 0.021624 -0.001107 -0.011863 181 C 13 S -0.010199 0.001149 0.016690 -0.001352 -0.011826 182 C 13 S -0.022977 0.000242 0.030564 -0.002865 -0.021202 183 C 13 S 0.187964 0.143540 -0.012535 0.072132 0.125326 184 C 13 X 0.020006 0.007841 0.015834 0.007019 -0.006188 185 C 13 Y 0.018712 0.015188 0.012032 0.008201 -0.001977 186 C 13 Z -0.004150 -0.002873 0.009339 0.000848 0.003038 187 C 13 X 0.109505 0.024427 -0.013342 0.038555 -0.001618 188 C 13 Y 0.046594 0.111086 0.035535 0.042635 -0.017968 189 C 13 Z -0.104363 0.002974 -0.041202 -0.007868 0.096225 190 C 13 XX -0.032026 -0.016172 -0.023557 -0.008279 0.016921 191 C 13 YY 0.024138 -0.015244 0.010303 -0.002915 -0.013135 192 C 13 ZZ 0.007888 0.031415 0.013254 0.011194 -0.003787 193 C 13 XY 0.004761 0.002695 0.007824 0.005346 0.001882 194 C 13 XZ 0.003004 0.010393 0.008043 0.000321 -0.000224 195 C 13 YZ 0.010615 0.011205 0.014965 0.011831 -0.016996 196 C 14 S 0.031080 -0.007505 0.011345 0.002103 -0.010387 197 C 14 S 0.093398 0.006446 0.041856 0.010838 -0.028801 198 C 14 S 0.276554 0.096566 -0.176702 -0.142933 0.127589 199 C 14 X 0.154554 0.070782 0.066038 0.010406 -0.034189 200 C 14 Y 0.067274 0.028134 0.034445 0.007492 -0.018303 201 C 14 Z 0.035853 0.021893 0.012859 0.012295 -0.010433 202 C 14 X 0.220378 0.006003 0.003661 -0.024274 0.033742 203 C 14 Y -0.196783 -0.047656 -0.106126 -0.086815 0.005167 204 C 14 Z 0.270536 0.088851 0.122337 0.029338 -0.097017 205 C 14 XX 0.100627 0.062693 0.074948 0.038180 -0.052827 206 C 14 YY -0.047429 -0.016367 -0.022042 -0.010037 0.026173 207 C 14 ZZ -0.053199 -0.046326 -0.052905 -0.028142 0.026654 208 C 14 XY 0.080341 0.027991 0.035486 -0.004048 -0.009366 209 C 14 XZ -0.007669 0.016644 0.010656 0.022622 0.000082 210 C 14 YZ -0.010303 0.022809 0.004169 0.019625 0.007580 211 F 15 S 0.053265 -0.013258 0.014347 -0.001893 -0.011880 212 F 15 S 0.120509 -0.028970 0.030204 -0.004249 -0.024490 213 F 15 S -0.162034 0.071108 -0.066435 0.008761 0.070222 214 F 15 X 0.028850 0.007643 0.005683 0.001672 0.000983 215 F 15 Y -0.011641 0.006459 -0.001113 0.002703 0.003452 216 F 15 Z -0.010268 0.000205 0.010481 0.000765 -0.007588 217 F 15 X -0.089738 -0.024064 -0.024490 -0.005569 0.002714 218 F 15 Y 0.018842 -0.038253 -0.004973 -0.012786 -0.008591 219 F 15 Z 0.013916 -0.015538 0.006442 -0.001699 -0.014679 220 F 15 XX 0.002576 0.003261 0.000393 -0.000354 0.005795 221 F 15 YY -0.006366 -0.006338 -0.005341 -0.000936 -0.001504 222 F 15 ZZ 0.003791 0.003077 0.004948 0.001290 -0.004290 223 F 15 XY -0.012578 -0.003437 -0.001443 -0.001380 0.003884 224 F 15 XZ -0.010704 0.001277 -0.003748 -0.000436 0.001508 225 F 15 YZ -0.000761 -0.007141 -0.004601 -0.002968 0.003569 226 F 16 S -0.088567 -0.003360 -0.026494 -0.000686 0.011723 227 F 16 S -0.192808 -0.003375 -0.056033 -0.001890 0.025772 228 F 16 S 0.352196 0.027393 0.116824 -0.004026 -0.044833 229 F 16 X -0.006701 -0.010130 0.003041 -0.002498 -0.002373 230 F 16 Y 0.009780 -0.010209 0.000565 0.001474 -0.002692 231 F 16 Z 0.013914 0.021147 0.011479 0.001712 -0.000213 232 F 16 X 0.049856 0.036787 0.012279 0.007975 -0.009087 233 F 16 Y -0.122437 -0.046152 -0.045573 -0.002416 0.005160 234 F 16 Z 0.008535 -0.013198 -0.006180 -0.005981 0.004931 235 F 16 XX -0.001329 -0.001438 -0.001069 -0.003860 0.006047 236 F 16 YY -0.008621 -0.003285 -0.001773 0.001584 -0.001186 237 F 16 ZZ 0.009950 0.004723 0.002842 0.002275 -0.004861 238 F 16 XY 0.016802 0.002310 0.004660 0.002028 -0.005018 239 F 16 XZ -0.006266 0.000279 -0.004192 -0.001714 0.004693 240 F 16 YZ 0.009153 0.010186 0.005300 0.000206 0.000844 241 F 17 S -0.048779 -0.012594 -0.019022 -0.006939 0.024105 242 F 17 S -0.109099 -0.030791 -0.042334 -0.016402 0.052443 243 F 17 S 0.152629 0.012554 0.065827 0.012492 -0.100901 244 F 17 X -0.012631 -0.011090 -0.004550 -0.005568 0.003830 245 F 17 Y -0.021519 -0.017027 -0.008887 -0.005820 0.000575 246 F 17 Z 0.011100 -0.000095 0.006656 0.000487 -0.003554 247 F 17 X 0.049441 0.023218 0.015720 0.014172 -0.010650 248 F 17 Y 0.090166 0.030116 0.040541 0.014717 -0.028109 249 F 17 Z -0.028728 -0.018716 -0.014346 -0.008217 -0.007582 250 F 17 XX -0.009815 -0.003557 -0.002036 -0.000559 -0.002192 251 F 17 YY -0.008395 -0.004032 -0.006122 -0.002803 0.004024 252 F 17 ZZ 0.018211 0.007589 0.008158 0.003361 -0.001832 253 F 17 XY -0.015777 -0.009152 -0.005565 -0.003681 0.001174 254 F 17 XZ -0.011675 -0.003834 -0.005896 -0.001188 0.002010 255 F 17 YZ -0.007568 -0.000675 -0.000877 0.000828 0.003044 256 F 18 S 0.086529 0.046305 0.037051 0.018963 -0.022706 257 F 18 S 0.192078 0.103873 0.083153 0.043741 -0.050569 258 F 18 S -0.345365 -0.174414 -0.139697 -0.056374 0.087732 259 F 18 X 0.008087 0.000440 0.001046 0.003798 -0.005318 260 F 18 Y 0.004638 -0.000400 0.002417 0.002017 -0.002153 261 F 18 Z -0.024005 -0.029248 -0.018144 -0.015848 0.005450 262 F 18 X -0.024005 -0.003790 -0.005985 -0.010320 0.015477 263 F 18 Y -0.016025 -0.003083 -0.004898 0.000736 0.010259 264 F 18 Z 0.090206 0.059820 0.033392 0.015283 -0.011998 265 F 18 XX -0.025733 -0.007137 -0.007678 0.000562 0.002203 266 F 18 YY 0.007801 0.002136 0.002761 0.001571 -0.000027 267 F 18 ZZ 0.017932 0.005000 0.004917 -0.002133 -0.002175 268 F 18 XY 0.002685 -0.000049 0.002358 0.004481 -0.002257 269 F 18 XZ 0.001133 0.001137 0.002101 -0.001219 -0.000576 270 F 18 YZ -0.001594 -0.002507 0.000724 -0.000613 0.001415 271 C 19 S 0.030565 0.058398 -0.009107 0.004659 0.010952 272 C 19 S 0.080720 0.143033 -0.027111 0.012533 0.026358 273 C 19 S -0.227393 0.095043 -0.162112 -0.016903 0.060288 274 C 19 X -0.120896 -0.039550 -0.287430 0.042275 0.079676 275 C 19 Y 0.068169 0.069036 0.094339 -0.112942 -0.149845 276 C 19 Z 0.082302 -0.036278 0.135331 0.718984 0.954519 277 C 19 X 0.194881 0.126070 -0.224311 0.078394 0.062507 278 C 19 Y 0.004174 0.021025 0.091663 -0.108270 -0.126934 279 C 19 Z 0.070048 -0.024877 0.177185 0.624062 0.829813 280 C 19 XX -0.099759 -0.038759 -0.275020 0.104473 0.158649 281 C 19 YY -0.048150 -0.091111 0.017333 -0.184592 -0.254595 282 C 19 ZZ 0.147909 0.129869 0.257687 0.080119 0.095945 283 C 19 XY 0.045492 0.012745 0.145424 -0.033821 -0.068605 284 C 19 XZ -0.049741 0.005173 -0.078691 -0.232119 -0.279057 285 C 19 YZ 0.047852 -0.075164 0.101837 0.792685 1.084129 286 H 20 S 0.074276 -0.004026 0.390057 -0.108859 -0.169445 287 H 20 S -0.036264 -0.097712 0.168470 -0.072273 -0.083620 288 H 20 X -0.102414 0.015004 -0.332078 0.091907 0.151669 289 H 20 Y -0.047391 -0.041925 0.032351 -0.019195 -0.020817 290 H 20 Z -0.004897 -0.004617 -0.018906 -0.025783 -0.044517 291 H 21 S -0.029623 -0.150974 0.013471 0.772262 1.040061 292 H 21 S 0.008597 -0.053767 0.051295 0.376538 0.487400 293 H 21 X -0.015091 -0.037396 -0.004362 0.152398 0.219265 294 H 21 Y 0.082882 0.142370 0.008379 -0.413042 -0.555646 295 H 21 Z 0.012575 -0.076062 0.038181 0.514661 0.679575 296 C 22 S 0.095164 -0.002636 0.012689 0.001068 -0.006552 297 C 22 S 0.226752 -0.011356 0.034885 0.006562 -0.016182 298 C 22 S 0.482703 0.313435 0.316606 0.183898 -0.061275 299 C 22 X -0.044634 0.031390 -0.048597 -0.102269 0.026472 300 C 22 Y -0.183788 0.035059 -0.056419 0.040693 -0.031045 301 C 22 Z 0.025569 0.149234 0.251296 -1.006829 0.702072 302 C 22 X 0.003197 0.018954 -0.040322 -0.072691 0.080044 303 C 22 Y -0.119523 0.148552 0.029532 0.095923 0.000054 304 C 22 Z -0.013767 0.022951 0.171004 -0.846413 0.620199 305 C 22 XX 0.097046 -0.076002 0.029617 -0.050927 0.072940 306 C 22 YY -0.088964 0.023038 0.024705 0.008227 0.013417 307 C 22 ZZ -0.008082 0.052964 -0.054322 0.042699 -0.086357 308 C 22 XY 0.198176 -0.036588 0.046378 0.113107 -0.077204 309 C 22 XZ 0.045251 0.166987 0.277998 -1.128474 0.790254 310 C 22 YZ -0.002245 0.007908 -0.030693 0.288755 -0.206119 311 H 23 S -0.260599 0.066599 -0.103765 -0.079192 0.027888 312 H 23 S -0.176387 0.039816 -0.060290 -0.028442 0.036217 313 H 23 X -0.152045 0.024912 -0.062067 -0.039423 0.028778 314 H 23 Y -0.246359 0.049886 -0.081303 -0.060970 0.001472 315 H 23 Z 0.005970 0.043322 0.012630 0.028037 -0.029762 316 H 24 S -0.102505 -0.125134 -0.236006 1.046212 -0.717452 317 H 24 S -0.060527 -0.027488 -0.100702 0.498398 -0.347110 318 H 24 X 0.052878 0.084610 0.123942 -0.583953 0.371595 319 H 24 Y -0.019510 -0.022684 -0.023515 0.100160 -0.053511 320 H 24 Z 0.125475 0.084846 0.173072 -0.718958 0.497011 321 H 25 S -0.057354 0.118255 0.244831 -0.993705 0.725995 322 H 25 S -0.043110 0.048296 0.110458 -0.471816 0.340512 323 H 25 X 0.020612 -0.038992 -0.128096 0.477550 -0.373353 324 H 25 Y 0.013682 0.048450 0.032209 0.009302 -0.002637 325 H 25 Z -0.077715 0.126497 0.185922 -0.732384 0.518785 326 C 26 S -0.060825 -0.081048 0.439469 0.061837 -0.063081 327 C 26 S -0.249623 -0.216409 1.072949 0.149586 -0.136598 328 C 26 S -1.486441 -0.459353 1.020381 0.114446 0.066508 329 C 26 X -0.046813 0.073822 -0.107125 -0.056422 0.008009 330 C 26 Y 0.074080 -0.282626 -0.004961 -0.070369 0.052602 331 C 26 Z 0.272864 0.174702 -0.553340 -0.040431 0.079223 332 C 26 X 0.133179 0.256997 -0.016326 -0.021489 0.008940 333 C 26 Y -0.189416 -0.361704 -0.094163 -0.047084 0.125557 334 C 26 Z -0.042447 0.166745 -0.781223 -0.096186 0.166906 335 C 26 XX -0.241977 0.072306 0.193078 0.055615 -0.019088 336 C 26 YY 0.004171 -0.103591 0.529959 0.032613 -0.150052 337 C 26 ZZ 0.237806 0.031285 -0.723037 -0.088227 0.169140 338 C 26 XY 0.074343 0.085447 0.016073 0.105890 0.008223 339 C 26 XZ -0.102586 -0.106096 -0.011954 -0.045986 0.009364 340 C 26 YZ 0.115255 0.331436 -0.137350 -0.024109 -0.125468 341 H 27 S 0.346150 0.010574 -0.616753 -0.167434 0.090855 342 H 27 S 0.199299 0.072171 -0.467406 -0.102988 0.078136 343 H 27 X 0.172453 -0.059588 -0.636805 -0.128521 0.142046 344 H 27 Y 0.373744 0.165318 -0.413607 -0.083899 0.015893 345 H 27 Z 0.060798 0.007432 -0.167003 -0.100434 -0.033462 346 H 28 S 0.404483 0.553985 -0.713371 -0.010025 0.029985 347 H 28 S 0.225209 0.339553 -0.460793 -0.021111 0.042799 348 H 28 X -0.038041 0.021574 -0.177430 -0.046756 0.007523 349 H 28 Y -0.347480 -0.487025 0.682488 0.038866 0.018999 350 H 28 Z 0.115403 0.197697 -0.460256 0.009226 0.128814 351 H 29 S 0.342097 -0.133651 -0.542774 -0.059498 0.067769 352 H 29 S 0.130068 -0.094059 -0.405069 -0.062672 0.041334 353 H 29 X -0.323159 0.025438 0.598885 0.053319 -0.111969 354 H 29 Y 0.187585 0.039313 -0.184696 -0.049351 -0.036178 355 H 29 Z 0.198460 -0.014760 -0.183957 -0.017805 -0.016492 356 C 30 S -0.208995 0.424911 -0.021699 0.045466 0.041936 357 C 30 S -0.547057 1.024508 -0.056957 0.110834 0.079680 358 C 30 S -1.062592 0.604658 -0.058516 0.072987 -0.289670 359 C 30 X 0.191677 0.039375 0.178972 0.007536 -0.039343 360 C 30 Y 0.209972 0.240721 0.208305 0.074914 0.039892 361 C 30 Z -0.335193 0.515901 -0.095482 0.059181 0.033674 362 C 30 X 0.213556 0.045279 0.175771 0.000209 -0.065131 363 C 30 Y 0.243506 0.226062 0.217898 0.085348 0.166133 364 C 30 Z -0.288455 0.826335 -0.111786 0.097147 0.131174 365 C 30 XX -0.029730 0.468242 0.152010 0.078600 0.016821 366 C 30 YY -0.249814 0.211916 -0.166716 0.031370 0.061520 367 C 30 ZZ 0.279544 -0.680158 0.014706 -0.109970 -0.078341 368 C 30 XY 0.167175 0.008068 0.169913 0.003604 -0.046184 369 C 30 XZ 0.175871 -0.028200 0.093517 -0.002547 0.000282 370 C 30 YZ 0.283989 -0.131939 0.118525 0.038390 0.084088 371 H 31 S 0.697336 -0.394130 0.306911 0.008401 0.039113 372 H 31 S 0.446023 -0.274791 0.204283 -0.017403 0.023280 373 H 31 X -0.087931 0.018986 -0.039353 -0.001242 -0.009725 374 H 31 Y 0.589111 -0.510177 0.206602 -0.010579 0.056479 375 H 31 Z -0.356987 0.215593 -0.192636 0.017249 0.066528 376 H 32 S 0.465365 -0.585461 0.105540 -0.099446 -0.060591 377 H 32 S 0.295983 -0.470009 0.068566 -0.078875 -0.079751 378 H 32 X 0.391079 -0.614647 0.103863 -0.103848 -0.102346 379 H 32 Y -0.345120 0.341145 -0.068365 0.027732 -0.019422 380 H 32 Z -0.109865 0.246442 -0.014495 0.032796 0.000279 381 H 33 S 0.013759 -0.733463 -0.289096 -0.136796 0.009032 382 H 33 S -0.026382 -0.507552 -0.171171 -0.079896 0.010158 383 H 33 X -0.098362 0.620116 0.155221 0.107999 0.040993 384 H 33 Y -0.066222 0.500134 0.163612 0.065579 -0.031213 385 H 33 Z -0.001720 0.285711 0.085524 0.043892 -0.044737 386 H 34 S -0.175852 -0.072529 -0.269560 -0.702553 -0.936009 387 H 34 S -0.074104 -0.007056 -0.136281 -0.333652 -0.448556 388 H 34 X -0.034889 -0.021215 -0.059299 -0.185534 -0.261314 389 H 34 Y 0.156225 0.090117 0.147382 0.276590 0.343868 390 H 34 Z 0.122373 0.036073 0.163651 0.522796 0.702920 391 F 35 S -0.072362 -0.021174 -0.019372 -0.015376 0.024024 392 F 35 S -0.160061 -0.046267 -0.041891 -0.033911 0.052305 393 F 35 S 0.262509 0.074519 0.076867 0.056250 -0.102374 394 F 35 X -0.017735 -0.003632 -0.002080 -0.003701 0.003733 395 F 35 Y -0.002950 -0.000071 0.000854 0.000968 -0.000505 396 F 35 Z -0.006722 -0.006179 -0.005271 -0.001257 0.003686 397 F 35 X 0.087738 0.030472 0.032613 0.018048 -0.034298 398 F 35 Y 0.011926 0.000395 -0.001195 -0.005193 0.004797 399 F 35 Z 0.003796 0.008857 0.004094 -0.001505 -0.003611 400 F 35 XX -0.011183 -0.004926 -0.004037 -0.002531 0.004116 401 F 35 YY 0.000662 0.000417 -0.000181 0.001201 -0.001972 402 F 35 ZZ 0.010521 0.004509 0.004217 0.001330 -0.002145 403 F 35 XY -0.006367 -0.003951 -0.000367 0.001556 -0.004098 404 F 35 XZ 0.005713 0.001447 0.003378 0.002113 -0.001916 405 F 35 YZ -0.001947 -0.005466 -0.000158 -0.000682 -0.000055 406 F 36 S 0.012133 0.010584 -0.010742 0.001600 -0.011730 407 F 36 S 0.025772 0.021742 -0.024755 0.002659 -0.026133 408 F 36 S -0.072323 -0.053465 0.026421 -0.016227 0.046426 409 F 36 X -0.001179 0.001678 -0.006440 -0.001559 -0.001228 410 F 36 Y -0.003372 0.006617 -0.000392 0.003287 -0.002839 411 F 36 Z -0.002764 -0.006307 -0.004047 -0.002407 -0.002951 412 F 36 X -0.014812 -0.007894 0.014398 -0.001663 0.004353 413 F 36 Y 0.009501 -0.011597 0.005359 -0.006347 0.003465 414 F 36 Z -0.007048 -0.014933 0.008862 -0.004486 0.007552 415 F 36 XX 0.010883 0.003225 0.004490 0.000615 -0.001658 416 F 36 YY -0.010344 -0.006251 -0.004432 -0.001395 0.002794 417 F 36 ZZ -0.000539 0.003027 -0.000058 0.000780 -0.001135 418 F 36 XY -0.002947 -0.002783 -0.003284 -0.000964 0.000453 419 F 36 XZ 0.005502 0.000470 -0.001856 0.001281 -0.001833 420 F 36 YZ -0.005577 -0.004081 -0.004657 -0.001399 0.002259 421 C 37 S -0.072764 0.035927 -0.010484 0.005113 0.022689 422 C 37 S -0.048970 0.083657 -0.022138 0.025571 0.045663 423 C 37 S 3.860225 1.092152 0.362810 0.704230 0.054127 424 C 37 X 0.103891 -0.000721 -0.064117 -0.019520 0.000019 425 C 37 Y 0.038270 0.032961 0.027518 -0.028488 0.001634 426 C 37 Z 0.018593 -0.018765 0.005040 -0.002314 0.020266 427 C 37 X -1.486480 -0.506827 -0.334294 -0.344779 -0.013799 428 C 37 Y 1.235564 1.247904 0.286387 0.247540 0.063551 429 C 37 Z 0.157939 0.252536 -0.065614 -0.061555 -0.092356 430 C 37 XX 0.077419 -0.017328 -0.119880 0.028329 0.015794 431 C 37 YY 0.253871 0.018238 0.088309 0.018362 0.009188 432 C 37 ZZ -0.331289 -0.000910 0.031571 -0.046691 -0.024982 433 C 37 XY -0.107609 -0.174517 -0.270600 0.063589 0.066477 434 C 37 XZ -0.001106 0.042267 0.057483 -0.041775 -0.149844 435 C 37 YZ 0.099424 0.021715 0.043165 -0.023262 -0.076342 436 S 38 S 0.000915 0.003940 -0.002644 -0.003644 -0.003351 437 S 38 S 0.000484 0.021305 -0.027517 -0.026859 -0.021077 438 S 38 S -0.024165 -0.002277 -0.070544 -0.035319 -0.012731 439 S 38 S 0.373464 -0.145397 -0.127155 0.069820 0.145802 440 S 38 X 0.019484 -0.006407 -0.019138 0.002860 0.002120 441 S 38 Y 0.020294 0.021404 0.023650 0.008556 -0.008845 442 S 38 Z 0.001834 -0.001279 0.007456 0.001651 -0.000366 443 S 38 X 0.064981 -0.034518 -0.086382 0.011464 0.014329 444 S 38 Y 0.097615 0.087269 0.088088 0.032656 -0.037889 445 S 38 Z 0.008278 -0.003764 0.031217 0.011675 0.004394 446 S 38 X -0.173953 -0.235557 -0.208226 -0.020450 0.044830 447 S 38 Y -0.284098 -0.087329 -0.070378 -0.037566 -0.032530 448 S 38 Z 0.006227 0.021320 -0.004199 0.028124 0.031755 449 S 38 XX 0.093509 0.005329 -0.037584 0.031082 -0.002486 450 S 38 YY -0.144323 -0.054146 -0.015156 -0.028899 0.023324 451 S 38 ZZ 0.050814 0.048818 0.052740 -0.002183 -0.020838 452 S 38 XY -0.014254 0.012565 0.025628 0.013524 -0.006851 453 S 38 XZ -0.002364 -0.011083 -0.006467 0.025136 0.037201 454 S 38 YZ -0.020809 -0.020796 -0.024789 -0.014636 -0.000768 455 S 38 XX 0.012027 0.000161 -0.005739 0.004225 -0.001101 456 S 38 YY -0.015161 -0.003606 0.001920 -0.002053 0.002563 457 S 38 ZZ 0.003133 0.003445 0.003819 -0.002172 -0.001462 458 S 38 XY 0.003728 0.005478 0.004998 0.004762 -0.002657 459 S 38 XZ 0.000125 -0.003190 -0.001874 0.008771 0.012877 460 S 38 YZ -0.005613 -0.005965 -0.006343 -0.005103 -0.001602 461 H 39 S -0.161733 0.026962 0.078797 -0.005786 -0.011062 462 H 39 S 0.214890 0.209095 0.151813 0.101738 0.004713 463 H 39 X 0.308377 0.052459 -0.025464 0.021463 0.010388 464 H 39 Y -0.053687 -0.022957 0.151881 -0.040533 -0.037310 465 H 39 Z 0.002538 -0.050100 -0.007125 0.039153 0.093970 381 382 383 384 385 2.8119 2.8379 2.8547 2.8710 2.9051 A A A A A 1 C 1 S 0.079311 -0.046430 0.013522 0.053324 0.005305 2 C 1 S 0.165241 -0.084878 0.035147 0.103306 0.001442 3 C 1 S 0.512232 0.554908 0.167635 -1.595373 -0.376419 4 C 1 X -0.126407 -0.000965 -0.063275 0.017581 0.052603 5 C 1 Y 0.018182 0.005240 0.002060 -0.005793 -0.023604 6 C 1 Z 0.003628 -0.013848 -0.003914 -0.000113 -0.002331 7 C 1 X -0.335201 -0.254044 -0.468390 0.702034 0.324070 8 C 1 Y 0.029739 0.089051 0.286830 0.129903 -0.016229 9 C 1 Z 0.043518 0.002740 0.084441 -0.057892 0.003990 10 C 1 XX -0.082252 0.130993 0.130580 0.325767 -0.024051 11 C 1 YY 0.031074 -0.068326 -0.103948 -0.297069 0.004123 12 C 1 ZZ 0.051178 -0.062667 -0.026632 -0.028698 0.019927 13 C 1 XY -0.119291 -0.047345 -0.012505 -0.203021 -0.044768 14 C 1 XZ 0.018078 0.011521 -0.033424 -0.025403 -0.024554 15 C 1 YZ 0.033174 0.038714 0.004132 0.003520 0.012084 16 C 2 S 0.144514 -0.000610 -0.012427 -0.278899 -0.057681 17 C 2 S 0.266917 -0.000601 -0.039296 -0.497312 -0.084108 18 C 2 S -1.882834 -1.731404 -0.591520 3.398903 0.371047 19 C 2 X 0.058165 -0.051703 -0.091967 -0.363464 -0.034625 20 C 2 Y 0.150329 0.069061 -0.094750 -0.144065 0.046443 21 C 2 Z 0.001264 -0.018663 0.008093 0.003749 0.002099 22 C 2 X -0.311192 -0.293044 -0.291823 0.964629 0.058364 23 C 2 Y -0.447858 -0.409632 -0.280823 0.666142 -0.037221 24 C 2 Z 0.007573 0.049457 -0.066713 -0.003343 -0.096734 25 C 2 XX -0.319853 -0.000412 -0.066202 0.015209 0.041692 26 C 2 YY 0.210463 0.032978 0.037093 0.280049 0.091824 27 C 2 ZZ 0.109389 -0.032566 0.029109 -0.295258 -0.133517 28 C 2 XY -0.062552 -0.084658 0.111323 0.059970 -0.102450 29 C 2 XZ 0.044424 0.047191 0.009972 -0.013687 -0.042139 30 C 2 YZ -0.010878 -0.026639 -0.020060 0.032272 0.006573 31 C 3 S 0.085261 0.339357 -0.077596 0.168808 0.106306 32 C 3 S 0.181361 0.577387 -0.121173 0.326245 0.172221 33 C 3 S -0.098016 -6.440908 2.505530 -1.277981 -2.937998 34 C 3 X -0.095548 -0.085159 -0.203409 -0.141891 0.207255 35 C 3 Y 0.276502 0.010240 0.049724 0.213370 0.054827 36 C 3 Z -0.007625 -0.023741 -0.066785 0.014110 0.045588 37 C 3 X 0.554542 1.582390 -0.131410 -1.545781 1.999455 38 C 3 Y -1.442812 -4.060313 0.639335 1.358659 -1.299189 39 C 3 Z -0.076630 -0.152264 0.053944 0.081478 0.250206 40 C 3 XX 0.160376 -0.226344 0.043435 -0.155926 -0.032973 41 C 3 YY -0.159297 -0.105259 0.141976 0.024573 -0.155889 42 C 3 ZZ -0.001079 0.331603 -0.185410 0.131353 0.188862 43 C 3 XY 0.241719 -0.090985 -0.076630 -0.259592 0.171537 44 C 3 XZ -0.014618 -0.100471 -0.028391 0.069738 0.078567 45 C 3 YZ -0.069224 -0.150761 -0.026853 -0.012913 0.055349 46 C 4 S -0.097657 -0.170392 0.077885 0.080730 -0.016855 47 C 4 S -0.196747 -0.263564 0.136282 0.191253 -0.036330 48 C 4 S 0.890524 3.889794 -1.153618 0.414464 -0.008882 49 C 4 X 0.017517 -0.108554 0.067238 -0.130922 -0.040457 50 C 4 Y 0.048459 -0.086249 -0.027816 -0.026863 -0.094686 51 C 4 Z -0.011771 -0.029184 -0.023211 0.020555 0.019456 52 C 4 X 0.017432 -1.715260 0.013082 0.224250 0.032958 53 C 4 Y 0.447058 1.009742 0.487963 -0.706945 0.926835 54 C 4 Z -0.120650 -0.750951 0.572150 -0.786417 0.231008 55 C 4 XX -0.019599 0.007884 -0.077129 -0.042069 0.007452 56 C 4 YY 0.067645 0.099382 0.050044 -0.025634 -0.066184 57 C 4 ZZ -0.048045 -0.107266 0.027086 0.067703 0.058732 58 C 4 XY -0.161085 0.403385 0.114722 0.058233 -0.236955 59 C 4 XZ -0.166212 0.038320 -0.186861 0.163442 0.159601 60 C 4 YZ -0.055549 0.013386 -0.016233 0.030540 0.055484 61 S 5 S 0.010858 0.000479 -0.017094 0.002022 0.014859 62 S 5 S 0.076410 0.004965 -0.117420 0.017691 0.106252 63 S 5 S 0.084229 0.014976 -0.119367 0.033767 0.125000 64 S 5 S -0.215546 0.187761 0.617109 -0.332291 -0.173080 65 S 5 X 0.004600 -0.004332 -0.017842 0.005740 -0.008864 66 S 5 Y -0.010518 0.005608 0.014727 -0.026589 -0.001156 67 S 5 Z 0.001707 0.012295 0.004055 -0.001065 -0.001557 68 S 5 X 0.036288 -0.026342 -0.081932 -0.002976 -0.016328 69 S 5 Y -0.070482 0.030939 0.062953 -0.086860 -0.017223 70 S 5 Z 0.004700 0.056239 0.028465 -0.005477 -0.011953 71 S 5 X 0.130793 0.011458 -0.251221 0.016360 0.044149 72 S 5 Y -0.267974 0.130786 0.063116 0.078448 -0.022710 73 S 5 Z -0.034775 0.129810 0.083228 -0.021760 0.029320 74 S 5 XX -0.043835 -0.016303 0.040438 0.047623 0.002617 75 S 5 YY 0.024393 -0.013714 -0.012222 -0.026257 -0.015386 76 S 5 ZZ 0.019442 0.030017 -0.028216 -0.021366 0.012768 77 S 5 XY 0.086644 -0.024247 -0.058179 0.086879 0.043912 78 S 5 XZ 0.016440 -0.065417 -0.039050 0.002768 0.006590 79 S 5 YZ 0.004858 0.059093 0.038672 -0.018191 -0.010750 80 S 5 XX -0.009644 -0.004249 0.007819 0.018466 0.001822 81 S 5 YY 0.005027 -0.007485 -0.004753 -0.020559 -0.005018 82 S 5 ZZ 0.004617 0.011734 -0.003066 0.002093 0.003195 83 S 5 XY 0.015182 -0.002922 -0.012679 0.013179 0.012230 84 S 5 XZ 0.003409 -0.017135 -0.008766 0.002103 0.000755 85 S 5 YZ 0.004883 0.015414 0.011268 -0.007798 -0.002342 86 H 6 S 0.135615 0.033882 -0.104724 -0.325814 -0.030465 87 H 6 S -0.003474 -0.106957 -0.130145 0.065236 -0.053428 88 H 6 X -0.020749 0.068638 -0.076410 -0.276769 -0.026639 89 H 6 Y 0.193845 -0.004726 -0.024932 -0.178519 0.002085 90 H 6 Z 0.013343 -0.005370 0.014129 -0.009666 -0.001652 91 C 7 S -0.254970 -0.236875 -0.131354 -0.191801 -0.004856 92 C 7 S -0.472568 -0.396689 -0.262416 -0.397947 0.010163 93 C 7 S 1.902799 6.369558 0.962145 -0.073589 1.957363 94 C 7 X 0.344104 0.131229 0.010734 0.075420 -0.131123 95 C 7 Y 0.186207 -0.032176 0.070488 0.204805 -0.026784 96 C 7 Z -0.055325 -0.057954 0.037809 -0.004705 0.065972 97 C 7 X 1.608196 -0.764063 -0.001688 -0.716424 0.641972 98 C 7 Y -1.171708 -3.209968 -0.176082 -0.243132 -0.952595 99 C 7 Z -0.326381 0.220843 -0.080073 0.147648 -0.094383 100 C 7 XX 0.680181 0.010583 0.067398 0.117679 0.209817 101 C 7 YY -0.566495 0.155105 0.018905 -0.059504 -0.133218 102 C 7 ZZ -0.113686 -0.165688 -0.086303 -0.058175 -0.076600 103 C 7 XY -0.594756 -0.034372 -0.061392 -0.048870 -0.069548 104 C 7 XZ -0.131658 -0.107447 0.012306 0.038939 -0.014510 105 C 7 YZ 0.083336 0.089688 0.019782 0.018174 -0.047385 106 C 8 S -0.093630 -0.015078 -0.049509 -0.032512 0.178112 107 C 8 S -0.172505 -0.033138 -0.086194 -0.056629 0.376072 108 C 8 S 0.397008 -1.228043 0.541813 1.179413 -1.485144 109 C 8 X -0.014664 -0.057911 0.008547 0.007497 0.065949 110 C 8 Y 0.063607 0.095154 -0.012178 -0.034741 -0.203171 111 C 8 Z 0.005967 0.020887 0.007126 -0.017557 -0.027067 112 C 8 X -0.000158 -0.062798 -0.062986 0.155043 -0.502465 113 C 8 Y 0.231614 0.642595 -0.397592 -0.432406 0.312405 114 C 8 Z -0.027902 0.091045 -0.109469 -0.012662 0.010610 115 C 8 XX 0.145211 -0.115540 -0.051580 0.102772 -0.533307 116 C 8 YY -0.036893 0.149578 0.111392 -0.094003 0.621377 117 C 8 ZZ -0.108318 -0.034038 -0.059812 -0.008769 -0.088070 118 C 8 XY -0.001248 -0.050564 -0.026901 0.105927 -0.197247 119 C 8 XZ 0.010341 0.002091 -0.009678 -0.004517 -0.039082 120 C 8 YZ 0.036624 -0.011004 0.050192 -0.014739 0.127459 121 C 9 S 0.061669 0.247901 -0.018818 -0.123931 0.036209 122 C 9 S 0.070450 0.418530 -0.051498 -0.228049 0.001172 123 C 9 S -1.893853 -4.486014 -0.218943 1.451834 -2.103131 124 C 9 X 0.335000 0.048617 0.059927 0.098782 -0.064567 125 C 9 Y 0.003853 -0.019840 0.025980 -0.035027 -0.084109 126 C 9 Z -0.011401 -0.017074 -0.005024 -0.006752 -0.043099 127 C 9 X 1.409444 1.008560 -0.350680 -0.125811 0.353510 128 C 9 Y -0.237412 0.174758 -0.652784 1.354846 -1.416423 129 C 9 Z -0.754690 -1.966738 -0.224486 0.635468 -0.919817 130 C 9 XX -0.091427 -0.184087 -0.011222 0.143710 0.024568 131 C 9 YY 0.144854 0.152151 0.013029 -0.087205 -0.152128 132 C 9 ZZ -0.053427 0.031936 -0.001807 -0.056505 0.127560 133 C 9 XY 0.671328 0.297673 -0.062331 0.010672 -0.259248 134 C 9 XZ 0.376737 -0.118975 0.133150 0.083339 0.123858 135 C 9 YZ 0.030697 0.015279 0.033733 -0.005257 -0.169332 136 C 10 S -0.017862 0.271399 0.009181 -0.146591 0.131427 137 C 10 S 0.000403 0.441042 0.025438 -0.274974 0.216400 138 C 10 S 0.228414 -6.714201 0.394810 1.047347 -1.922551 139 C 10 X 0.094588 0.101662 0.083594 -0.013351 0.005267 140 C 10 Y 0.078240 0.170013 -0.009886 0.132545 -0.018992 141 C 10 Z -0.037469 0.005164 -0.025536 -0.005093 -0.003460 142 C 10 X -1.013665 -4.623105 -0.650675 -0.407081 -1.312897 143 C 10 Y 0.994789 0.668190 -0.453552 -0.733564 0.958653 144 C 10 Z 0.082821 0.465109 0.300254 -0.001221 0.132820 145 C 10 XX 0.874634 -0.172769 0.097749 0.324117 0.046589 146 C 10 YY -0.747521 -0.138652 -0.087144 -0.185847 -0.221077 147 C 10 ZZ -0.127113 0.311421 -0.010604 -0.138270 0.174488 148 C 10 XY 0.358559 0.377465 0.123469 0.278817 -0.215703 149 C 10 XZ -0.171285 0.077102 0.024657 -0.000566 0.043667 150 C 10 YZ 0.016059 0.010630 -0.011399 -0.050357 0.012603 151 C 11 S 0.147720 -0.302297 0.177688 0.142722 -0.189150 152 C 11 S 0.323186 -0.500906 0.311287 0.254751 -0.302138 153 C 11 S 1.011792 7.038500 -2.077854 -2.456004 4.726614 154 C 11 X -0.023632 -0.042183 0.015586 -0.096221 0.065083 155 C 11 Y 0.313540 0.001731 0.123271 0.144658 0.067536 156 C 11 Z -0.003941 0.003977 0.001056 -0.009005 0.024547 157 C 11 X 1.185717 4.733260 -1.151667 -0.064597 2.014834 158 C 11 Y 0.771988 1.586400 -0.194393 -0.655062 0.029818 159 C 11 Z 0.164213 0.342686 -0.215259 -0.139609 -0.109556 160 C 11 XX -0.161172 0.021815 -0.299696 -0.484440 0.246785 161 C 11 YY 0.116741 0.343199 0.085311 0.351635 -0.000317 162 C 11 ZZ 0.044431 -0.365013 0.214385 0.132805 -0.246468 163 C 11 XY 0.317356 0.278290 0.178480 0.180385 -0.225786 164 C 11 XZ 0.024286 0.009157 -0.034059 0.059741 0.108537 165 C 11 YZ 0.041374 -0.052420 -0.002585 -0.022195 0.001006 166 C 12 S -0.032979 0.055232 0.012193 -0.003500 -0.036551 167 C 12 S -0.110967 0.133915 0.021940 -0.014474 -0.060414 168 C 12 S -1.105514 -1.435337 -0.417759 -0.302715 -0.178001 169 C 12 X -0.266521 0.086721 -0.052975 -0.078345 -0.046673 170 C 12 Y 0.102411 -0.013955 0.018784 0.028842 0.031667 171 C 12 Z 0.025566 -0.057517 0.003394 0.052158 0.061238 172 C 12 X -0.250547 -0.181878 -0.214525 -0.299959 -0.180154 173 C 12 Y 0.151959 0.232097 0.307131 -0.070224 -0.012906 174 C 12 Z 0.015260 -0.208215 -0.090886 0.444770 0.264209 175 C 12 XX 0.031235 0.197552 0.061049 0.066831 -0.083597 176 C 12 YY -0.055979 -0.074582 -0.029042 -0.090076 0.031588 177 C 12 ZZ 0.024744 -0.122969 -0.032007 0.023245 0.052009 178 C 12 XY 0.365730 0.039534 0.094605 0.213820 -0.074193 179 C 12 XZ 0.009908 -0.010202 0.004475 -0.010371 -0.022766 180 C 12 YZ -0.003552 -0.011250 -0.005369 0.037180 0.004933 181 C 13 S -0.036048 0.041615 0.037804 -0.006893 -0.089966 182 C 13 S -0.061033 0.075017 0.055984 -0.016824 -0.151182 183 C 13 S 0.376134 -0.279352 -0.319929 -0.093862 0.976144 184 C 13 X -0.059121 0.037031 0.017037 0.019940 -0.063769 185 C 13 Y 0.008336 0.001487 0.004953 -0.040467 -0.027575 186 C 13 Z -0.038344 0.039219 0.003565 -0.006096 0.006192 187 C 13 X -0.250259 -0.078006 0.134365 0.241181 -0.098171 188 C 13 Y -0.053026 0.005736 -0.075016 -0.206657 -0.131199 189 C 13 Z 0.061838 0.367468 0.004887 -0.337080 0.085835 190 C 13 XX 0.084452 -0.015572 -0.057018 -0.031665 0.099545 191 C 13 YY -0.075946 0.023559 0.030431 0.072341 -0.038758 192 C 13 ZZ -0.008506 -0.007987 0.026587 -0.040675 -0.060787 193 C 13 XY 0.016800 -0.002654 -0.009842 -0.045102 -0.010841 194 C 13 XZ -0.010823 0.020578 0.025612 0.001457 -0.047929 195 C 13 YZ -0.087783 -0.055479 -0.019302 -0.072753 0.009575 196 C 14 S -0.079871 -0.048361 -0.004912 0.050453 0.019553 197 C 14 S -0.156161 -0.111175 0.004376 0.099604 0.027258 198 C 14 S 0.996151 1.639318 -0.140102 -0.116493 -0.013667 199 C 14 X 0.014141 -0.062200 0.031813 0.124334 -0.058347 200 C 14 Y -0.028007 -0.006121 0.026635 0.096238 -0.054257 201 C 14 Z -0.001635 -0.049658 -0.005173 0.036500 0.053853 202 C 14 X 0.302568 0.408095 -0.072456 0.026853 0.122596 203 C 14 Y 0.222064 0.029814 -0.082285 0.275938 -0.184722 204 C 14 Z -0.208320 -0.575297 0.067416 0.393464 0.522202 205 C 14 XX -0.116021 -0.229737 -0.017368 -0.086847 0.006130 206 C 14 YY 0.099392 0.139672 0.046557 0.059713 -0.090282 207 C 14 ZZ 0.016629 0.090065 -0.029189 0.027134 0.084152 208 C 14 XY 0.025587 0.046524 0.070397 0.199773 -0.016855 209 C 14 XZ 0.026994 0.006546 0.009543 -0.022304 -0.020407 210 C 14 YZ 0.033091 0.067823 0.008931 -0.004104 -0.065439 211 F 15 S -0.015113 -0.085405 0.002208 0.125758 0.174735 212 F 15 S -0.029517 -0.185373 0.007612 0.276466 0.382259 213 F 15 S 0.110782 0.374914 0.032781 -0.496273 -0.663725 214 F 15 X 0.013002 -0.004180 0.009387 0.021179 0.003960 215 F 15 Y 0.005626 0.017292 0.011343 -0.011597 -0.023339 216 F 15 Z -0.001921 -0.004981 -0.017303 -0.013504 -0.026304 217 F 15 X -0.012765 0.017255 -0.014638 -0.065231 -0.041965 218 F 15 Y -0.005728 -0.046343 -0.045848 0.051966 0.067138 219 F 15 Z -0.040904 -0.101497 0.005812 0.097833 0.187923 220 F 15 XX 0.021828 0.018880 0.008425 0.001000 -0.017059 221 F 15 YY -0.010328 -0.008091 -0.007181 -0.010366 -0.007997 222 F 15 ZZ -0.011500 -0.010789 -0.001243 0.009367 0.025057 223 F 15 XY 0.028168 0.009582 -0.007612 -0.007846 0.012194 224 F 15 XZ 0.006387 0.016633 -0.000914 -0.010610 -0.012852 225 F 15 YZ 0.021007 -0.001257 -0.004797 0.016997 0.013647 226 F 16 S -0.021127 0.058691 0.035335 -0.106139 0.036911 227 F 16 S -0.040398 0.131639 0.078363 -0.226248 0.078607 228 F 16 S 0.146312 -0.184989 -0.151233 0.475638 -0.137019 229 F 16 X -0.031080 0.030520 -0.006839 -0.015637 -0.014068 230 F 16 Y -0.021059 -0.021189 -0.001687 -0.001813 -0.002109 231 F 16 Z 0.016488 0.003666 0.018062 0.030740 0.003913 232 F 16 X 0.005985 -0.113277 0.009552 0.071754 0.013060 233 F 16 Y -0.071369 0.025682 -0.012078 -0.154639 0.047795 234 F 16 Z 0.051238 0.026155 -0.034396 -0.013855 -0.062680 235 F 16 XX 0.045070 0.025028 0.009079 0.025066 -0.008029 236 F 16 YY -0.020469 -0.005437 -0.009085 -0.030313 0.003527 237 F 16 ZZ -0.024602 -0.019590 0.000006 0.005247 0.004502 238 F 16 XY -0.033916 -0.024992 -0.008932 -0.004450 0.009319 239 F 16 XZ 0.028609 0.002895 0.004953 0.007805 0.004344 240 F 16 YZ 0.035562 -0.004251 0.001567 0.018136 -0.017039 241 F 17 S 0.044141 0.117872 0.017642 -0.135343 -0.051588 242 F 17 S 0.092740 0.251653 0.036814 -0.299519 -0.108825 243 F 17 S -0.224907 -0.576723 -0.084395 0.523485 0.262917 244 F 17 X -0.008050 0.016990 0.007818 -0.002935 -0.018127 245 F 17 Y -0.002200 -0.010431 -0.004309 -0.021655 -0.000817 246 F 17 Z -0.019022 -0.021540 -0.000415 -0.028366 0.028212 247 F 17 X 0.022082 -0.023598 -0.006811 0.050629 0.042248 248 F 17 Y -0.086925 -0.135013 -0.009526 0.084556 0.091198 249 F 17 Z -0.014109 -0.064406 -0.035999 0.072620 -0.035036 250 F 17 XX -0.018753 -0.027507 -0.007823 -0.010152 0.012321 251 F 17 YY 0.011843 0.019329 -0.007756 -0.006653 -0.006792 252 F 17 ZZ 0.006910 0.008178 0.015579 0.016805 -0.005528 253 F 17 XY -0.019295 -0.000422 -0.003557 -0.023398 -0.006460 254 F 17 XZ -0.000842 -0.009628 -0.010362 -0.027638 0.003183 255 F 17 YZ 0.004811 0.014984 0.006966 -0.007902 -0.003397 256 F 18 S -0.035463 -0.131909 0.021521 0.038636 0.178536 257 F 18 S -0.078726 -0.291916 0.047331 0.082396 0.388447 258 F 18 S 0.126853 0.491136 -0.097764 -0.190444 -0.700620 259 F 18 X -0.014986 -0.023002 -0.004885 0.006238 0.007711 260 F 18 Y 0.006773 -0.022064 -0.003686 0.017191 0.024758 261 F 18 Z -0.000125 0.021076 -0.015299 0.016528 -0.002888 262 F 18 X 0.035722 0.086599 0.006682 -0.031545 -0.067364 263 F 18 Y -0.015169 0.096322 0.016080 -0.074591 -0.111848 264 F 18 Z -0.005003 -0.052670 0.038845 0.005281 0.143103 265 F 18 XX -0.006383 -0.009755 -0.008939 -0.021087 0.000775 266 F 18 YY 0.011333 0.008759 -0.000525 0.010228 -0.009305 267 F 18 ZZ -0.004950 0.000996 0.009464 0.010859 0.008530 268 F 18 XY -0.008366 -0.001881 0.003894 0.014175 0.000161 269 F 18 XZ -0.001276 0.004648 0.000716 -0.002680 -0.021173 270 F 18 YZ 0.005703 0.023538 0.011672 -0.000343 -0.035005 271 C 19 S 0.017885 -0.022062 -0.023531 0.009350 -0.025992 272 C 19 S 0.030725 -0.046329 -0.053360 0.008753 -0.048343 273 C 19 S -0.269472 -0.060105 0.116814 -0.167277 0.360664 274 C 19 X -0.052896 -0.403875 -0.124593 0.240920 -0.497362 275 C 19 Y 0.087007 0.245744 0.091112 -0.114149 0.327009 276 C 19 Z -0.015730 0.011398 -0.016208 -0.040035 0.033161 277 C 19 X -0.027480 -0.231416 -0.187550 0.140188 -0.386527 278 C 19 Y 0.180310 0.131784 0.026057 -0.001904 0.099080 279 C 19 Z 0.008350 -0.060267 0.030427 -0.056224 0.039790 280 C 19 XX -0.084856 -0.615587 -0.209134 0.380959 -1.004424 281 C 19 YY -0.027986 0.279299 0.106797 -0.180535 0.543019 282 C 19 ZZ 0.112843 0.336288 0.102337 -0.200424 0.461405 283 C 19 XY 0.000790 0.000841 -0.007019 0.001754 -0.181881 284 C 19 XZ 0.011802 -0.067104 0.007126 0.036987 -0.076430 285 C 19 YZ -0.036636 -0.010563 -0.018392 -0.051253 0.042960 286 H 20 S 0.128191 0.573705 0.206489 -0.314687 0.792531 287 H 20 S 0.017705 0.237088 0.141126 -0.112771 0.272090 288 H 20 X -0.066040 -0.495636 -0.176495 0.269779 -0.626563 289 H 20 Y 0.023409 0.135039 0.051440 -0.077551 0.297831 290 H 20 Z -0.007320 0.014620 -0.019399 0.011915 -0.010946 291 H 21 S -0.087093 -0.288540 -0.100319 0.134047 -0.414357 292 H 21 S -0.037390 -0.129090 -0.027365 0.037466 -0.117528 293 H 21 X 0.000321 -0.056105 -0.002754 0.020592 -0.043606 294 H 21 Y 0.069591 0.135087 0.033130 -0.057192 0.114984 295 H 21 Z -0.044600 -0.184561 -0.077062 0.095056 -0.315062 296 C 22 S 0.014090 -0.016119 -0.011696 -0.007883 -0.001199 297 C 22 S 0.030715 -0.038927 -0.020642 -0.004601 0.000802 298 C 22 S 0.051007 -0.029214 0.276290 0.262114 0.023416 299 C 22 X -0.417686 0.201937 0.090369 0.562921 0.078533 300 C 22 Y -0.269274 0.113761 0.087961 0.335919 0.020386 301 C 22 Z -0.100915 -0.104479 0.019943 -0.028086 0.015935 302 C 22 X -0.330949 0.219494 0.142389 0.307532 -0.026952 303 C 22 Y -0.232021 0.147040 0.225536 0.279136 -0.026520 304 C 22 Z -0.096615 -0.089672 0.003169 -0.011254 0.026482 305 C 22 XX 0.078840 0.027321 0.021418 0.135180 0.022430 306 C 22 YY 0.278639 -0.194343 -0.096805 -0.617283 -0.092278 307 C 22 ZZ -0.357478 0.167022 0.075388 0.482103 0.069848 308 C 22 XY 0.448921 -0.223805 -0.152510 -0.703346 -0.068514 309 C 22 XZ -0.110199 -0.142047 0.010901 -0.060746 0.015794 310 C 22 YZ 0.051852 0.023911 0.007429 -0.033151 0.002954 311 H 23 S -0.625834 0.317796 0.182531 0.823721 0.070538 312 H 23 S -0.296397 0.169658 0.118289 0.311523 0.005629 313 H 23 X -0.358892 0.211514 0.124525 0.546175 0.053031 314 H 23 Y -0.399964 0.168471 0.082901 0.458182 0.050525 315 H 23 Z -0.010797 0.005932 0.012137 0.009422 0.004497 316 H 24 S 0.372631 -0.011186 -0.100785 -0.410628 -0.075531 317 H 24 S 0.155903 -0.018953 -0.042290 -0.136807 -0.037327 318 H 24 X -0.190465 -0.021103 0.011049 0.152082 0.049924 319 H 24 Y 0.039540 -0.003171 -0.006854 -0.012526 -0.018713 320 H 24 Z -0.235468 0.026997 0.075927 0.297026 0.048381 321 H 25 S 0.164720 -0.249597 -0.079890 -0.468115 -0.040984 322 H 25 S 0.049831 -0.094184 -0.020144 -0.169246 0.002579 323 H 25 X -0.074351 0.081623 -0.008204 0.161377 0.025813 324 H 25 Y 0.007795 0.011750 0.027744 0.020996 0.004558 325 H 25 Z 0.100993 -0.180326 -0.050459 -0.350506 -0.029302 326 C 26 S 0.018720 0.101369 0.003084 -0.016873 0.029191 327 C 26 S 0.016633 0.177849 -0.001134 -0.036412 0.036910 328 C 26 S -0.503026 -0.918067 -0.254997 0.216410 -0.647206 329 C 26 X -0.067950 0.461019 -0.753860 -0.268968 -0.338684 330 C 26 Y 0.096624 0.451442 -0.018641 0.311916 -0.160384 331 C 26 Z 0.066907 -0.029611 0.017297 -0.006500 0.055456 332 C 26 X 0.000040 0.167396 -0.616616 -0.067872 -0.416828 333 C 26 Y 0.034691 0.124273 -0.032892 0.245586 -0.127174 334 C 26 Z -0.088104 -0.367909 -0.046730 0.089903 -0.162453 335 C 26 XX -0.072501 -0.121016 -0.296742 -0.341726 0.008833 336 C 26 YY 0.007846 -0.015287 0.327568 0.218763 0.002937 337 C 26 ZZ 0.064655 0.136303 -0.030825 0.122963 -0.011769 338 C 26 XY -0.087868 -0.646513 0.664467 0.092991 0.475944 339 C 26 XZ 0.360211 -0.224325 0.566881 0.250221 0.212785 340 C 26 YZ 0.048171 -0.276819 0.015580 -0.316874 0.081198 341 H 27 S 0.095646 0.806325 -0.723386 0.066146 -0.456021 342 H 27 S 0.120311 0.247220 -0.310264 0.083829 -0.221476 343 H 27 X 0.030006 0.518327 -0.482344 0.027488 -0.217220 344 H 27 Y -0.001935 0.387106 -0.379199 0.007589 -0.269868 345 H 27 Z 0.216890 0.229903 -0.101665 0.058123 -0.107923 346 H 28 S 0.005491 -0.304449 -0.085258 -0.442086 0.236391 347 H 28 S -0.025004 -0.146511 -0.050462 -0.151964 0.056263 348 H 28 X 0.138646 -0.001595 0.040122 -0.078494 0.023300 349 H 28 Y 0.036393 0.297331 0.084980 0.312743 -0.119725 350 H 28 Z -0.021928 -0.154136 -0.058644 -0.153065 0.133251 351 H 29 S 0.153499 -0.255945 0.881664 0.443344 0.410717 352 H 29 S 0.022438 -0.118435 0.388275 0.144612 0.212914 353 H 29 X -0.162152 0.249341 -0.652036 -0.354538 -0.292866 354 H 29 Y 0.135351 -0.055546 0.325630 0.133500 0.099503 355 H 29 Z -0.116861 -0.091615 0.185569 0.110115 0.058337 356 C 30 S -0.050338 -0.026913 0.009128 0.000444 -0.002950 357 C 30 S -0.101025 -0.013702 0.006254 0.023948 0.005933 358 C 30 S 0.021470 0.345086 -0.341609 0.757954 -0.038927 359 C 30 X 0.184722 -0.217793 -0.876283 0.403640 0.345212 360 C 30 Y 0.058283 0.420603 0.055712 0.119345 0.127423 361 C 30 Z -0.027956 0.050020 0.007218 0.015742 0.040657 362 C 30 X 0.170271 -0.010595 -0.848363 0.244030 0.332178 363 C 30 Y -0.051597 0.058618 0.116643 0.117745 -0.031782 364 C 30 Z -0.096122 -0.021683 0.091378 -0.123284 0.099911 365 C 30 XX 0.025201 0.358351 0.076522 0.123883 0.085273 366 C 30 YY -0.049001 -0.144730 -0.104072 0.010862 0.033916 367 C 30 ZZ 0.023800 -0.213621 0.027550 -0.134746 -0.119189 368 C 30 XY 0.204941 -0.178200 -0.904659 0.423138 0.443353 369 C 30 XZ 0.018822 -0.094454 -0.621803 0.365004 0.224209 370 C 30 YZ 0.035986 0.355518 0.131992 0.042112 0.097223 371 H 31 S 0.059157 0.334649 0.184682 0.019488 0.066994 372 H 31 S 0.037207 0.085083 0.081644 -0.000102 -0.048414 373 H 31 X 0.015978 -0.066716 0.058452 -0.047602 0.025754 374 H 31 Y 0.072413 0.297558 0.121665 0.007753 0.068492 375 H 31 Z -0.038580 -0.120601 -0.053979 -0.020380 -0.013597 376 H 32 S 0.166298 -0.543741 -0.997119 0.286135 0.307155 377 H 32 S 0.103179 -0.152037 -0.488079 0.016005 0.161152 378 H 32 X 0.142628 -0.393371 -0.715015 0.210240 0.180041 379 H 32 Y -0.075067 0.221890 0.390879 -0.143456 -0.107278 380 H 32 Z -0.027002 0.237862 0.194588 -0.010733 -0.063731 381 H 33 S -0.196869 -0.117318 0.912343 -0.597767 -0.505493 382 H 33 S -0.066113 -0.087326 0.443961 -0.211485 -0.229477 383 H 33 X 0.100786 0.101002 -0.604671 0.395928 0.345947 384 H 33 Y 0.119110 0.081505 -0.470449 0.305479 0.227716 385 H 33 Z 0.079200 0.011565 -0.120286 0.020960 0.101476 386 H 34 S -0.040366 -0.264557 -0.074462 0.230801 -0.478508 387 H 34 S -0.021707 -0.071658 -0.053535 0.093428 -0.155667 388 H 34 X -0.007289 -0.052119 -0.022615 0.061595 -0.108775 389 H 34 Y 0.031016 0.078445 0.002355 -0.065418 0.060717 390 H 34 Z 0.026515 0.206400 0.051880 -0.162421 0.358016 391 F 35 S 0.138943 -0.023192 -0.086805 -0.084547 0.208491 392 F 35 S 0.302411 -0.050197 -0.186798 -0.183608 0.451980 393 F 35 S -0.577482 0.071383 0.369920 0.366603 -0.841268 394 F 35 X 0.009419 -0.000467 -0.001662 -0.006033 0.025253 395 F 35 Y 0.006970 0.002686 -0.003086 -0.001419 0.001658 396 F 35 Z -0.002658 0.008246 -0.000697 -0.001030 0.005887 397 F 35 X -0.150589 0.030287 0.102729 0.084814 -0.263416 398 F 35 Y -0.003110 0.015328 0.034296 0.041582 -0.028454 399 F 35 Z 0.072302 -0.051922 -0.040647 -0.008648 0.047876 400 F 35 XX 0.015737 0.000729 -0.013448 -0.011677 0.034729 401 F 35 YY -0.014080 0.002559 0.009781 0.002844 -0.016762 402 F 35 ZZ -0.001657 -0.003287 0.003667 0.008833 -0.017966 403 F 35 XY -0.017895 -0.018770 -0.013945 -0.017077 0.016716 404 F 35 XZ -0.023130 0.006491 0.009778 0.004836 -0.013410 405 F 35 YZ -0.001875 0.001282 0.000711 0.004201 -0.001735 406 F 36 S 0.067057 -0.091816 -0.036031 0.009841 -0.006973 407 F 36 S 0.147741 -0.200421 -0.079383 0.021464 -0.017744 408 F 36 S -0.241086 0.403610 0.146446 -0.084100 -0.028723 409 F 36 X -0.006524 0.010566 0.016883 -0.003425 -0.045531 410 F 36 Y -0.020532 -0.013797 -0.001268 -0.020067 0.008692 411 F 36 Z 0.013778 -0.017283 -0.011466 0.000620 0.004098 412 F 36 X 0.040734 -0.022793 -0.051487 -0.011676 0.125702 413 F 36 Y 0.051337 0.009239 0.003554 0.050205 -0.023446 414 F 36 Z -0.083663 0.100496 0.044102 0.012524 -0.017849 415 F 36 XX -0.003544 -0.004513 0.003707 0.010097 -0.000670 416 F 36 YY -0.008468 0.014925 -0.000870 -0.006677 0.003430 417 F 36 ZZ 0.012012 -0.010412 -0.002838 -0.003420 -0.002760 418 F 36 XY -0.006844 0.000492 -0.001727 0.000293 0.014306 419 F 36 XZ -0.009120 -0.002195 0.005570 0.004690 -0.015324 420 F 36 YZ 0.001795 0.009215 0.001044 0.005316 0.006419 421 C 37 S 0.006491 -0.268142 -0.012391 0.153617 -0.246295 422 C 37 S -0.063539 -0.488550 -0.015953 0.258352 -0.446390 423 C 37 S -0.883604 2.549735 0.136473 -2.238770 2.421307 424 C 37 X -0.102752 0.219734 -0.027375 -0.160756 0.136307 425 C 37 Y 0.186776 -0.047482 -0.089408 0.123239 -0.486304 426 C 37 Z 0.050740 0.067068 -0.031798 0.015243 -0.080052 427 C 37 X -0.017483 -1.127211 0.095961 0.867929 -0.681170 428 C 37 Y 0.451393 0.205395 -0.414781 -0.243185 0.673214 429 C 37 Z 0.180163 0.224599 -0.116035 0.013145 0.015426 430 C 37 XX -0.330877 0.084628 -0.025196 -0.169979 0.341062 431 C 37 YY 0.065310 0.226444 -0.006463 -0.042722 -0.225677 432 C 37 ZZ 0.265567 -0.311071 0.031659 0.212701 -0.115385 433 C 37 XY -0.253777 -0.042813 0.039368 -0.018829 0.589874 434 C 37 XZ -0.086776 -0.115840 0.019908 -0.008879 0.116064 435 C 37 YZ -0.031913 -0.060505 0.066455 -0.019768 0.072836 436 S 38 S 0.003287 0.001282 0.002145 0.000102 0.003683 437 S 38 S 0.031126 0.008386 0.014026 0.000039 0.036859 438 S 38 S 0.067453 0.004138 0.012164 -0.002196 0.087282 439 S 38 S 0.197753 0.663334 -0.139669 0.086847 0.140654 440 S 38 X -0.020351 0.016754 -0.003422 -0.006042 0.020410 441 S 38 Y -0.040394 -0.007871 0.007649 -0.010891 -0.014371 442 S 38 Z -0.000596 -0.001739 -0.003200 -0.000634 0.003007 443 S 38 X -0.075431 0.067374 -0.009595 -0.025227 0.094433 444 S 38 Y -0.172961 -0.015670 0.026411 -0.033532 -0.071161 445 S 38 Z -0.003693 -0.009414 -0.012479 -0.002467 0.011129 446 S 38 X -0.252539 0.042656 -0.042710 0.001447 -0.057776 447 S 38 Y -0.189715 -0.275802 0.050846 0.018686 -0.151285 448 S 38 Z 0.028929 -0.047318 0.049675 -0.016186 -0.023196 449 S 38 XX -0.143093 0.052216 0.003739 -0.042137 0.087537 450 S 38 YY 0.181203 -0.086788 -0.014555 0.036392 -0.033600 451 S 38 ZZ -0.038110 0.034572 0.010816 0.005745 -0.053936 452 S 38 XY 0.007168 -0.087836 -0.007933 0.031752 -0.074365 453 S 38 XZ -0.000573 0.004184 0.004033 0.000676 -0.005917 454 S 38 YZ -0.003543 0.019701 -0.010341 0.008603 -0.008193 455 S 38 XX -0.020012 0.001552 -0.000815 -0.004306 0.003929 456 S 38 YY 0.017116 -0.013557 -0.001267 0.004343 -0.007219 457 S 38 ZZ 0.002896 0.012005 0.002082 -0.000037 0.003290 458 S 38 XY -0.011167 -0.025311 -0.003723 0.012879 -0.031302 459 S 38 XZ 0.000165 0.001927 0.001522 0.000929 -0.004631 460 S 38 YZ -0.002967 0.006555 -0.004944 0.002216 -0.003157 461 H 39 S 0.363183 -0.169242 -0.023078 0.208692 -0.189959 462 H 39 S 0.186860 0.139671 -0.141340 -0.106019 0.058481 463 H 39 X -0.273693 0.217340 0.011077 -0.216034 0.083391 464 H 39 Y 0.159755 0.042949 0.037702 0.033976 -0.366757 465 H 39 Z 0.034564 0.040106 0.003917 0.002613 -0.033748 386 387 388 389 390 2.9264 2.9299 2.9446 2.9539 2.9900 A A A A A 1 C 1 S -0.051970 0.090215 -0.146772 -0.087949 -0.069962 2 C 1 S -0.114589 0.175969 -0.318262 -0.206798 -0.156936 3 C 1 S 1.018119 -0.678248 0.766741 0.320719 -1.179967 4 C 1 X 0.041024 -0.028290 0.245226 0.151204 0.183481 5 C 1 Y 0.031451 0.017170 -0.018569 -0.003180 -0.033253 6 C 1 Z -0.013553 -0.007930 -0.024960 -0.010711 -0.006561 7 C 1 X -0.433320 0.480060 -0.328780 -0.582374 1.048403 8 C 1 Y -0.617098 -0.099363 -0.627264 -0.566547 -0.345096 9 C 1 Z 0.055315 0.011630 0.025494 0.039830 -0.154952 10 C 1 XX -0.090453 0.022957 -0.334342 -0.205729 -0.170818 11 C 1 YY 0.048353 -0.042264 0.264211 0.104482 0.128558 12 C 1 ZZ 0.042100 0.019308 0.070131 0.101247 0.042260 13 C 1 XY 0.088172 -0.175045 0.368706 0.464832 0.132693 14 C 1 XZ 0.008914 -0.017845 0.021728 0.026217 0.040233 15 C 1 YZ 0.013595 0.032980 0.010425 -0.021240 -0.018750 16 C 2 S 0.041818 -0.046969 0.109031 0.058769 -0.084028 17 C 2 S 0.085022 -0.091793 0.209485 0.139395 -0.093197 18 C 2 S -1.398361 0.089766 -1.608206 1.895353 2.733737 19 C 2 X 0.142799 -0.000266 0.322874 0.122433 -0.026865 20 C 2 Y 0.092462 0.142204 -0.032833 -0.106330 -0.106259 21 C 2 Z -0.017495 0.003934 -0.035518 -0.025041 -0.011865 22 C 2 X -1.157930 0.296932 -0.754624 -1.303589 1.274716 23 C 2 Y 0.191205 -0.358648 0.117037 1.277396 0.959243 24 C 2 Z -0.056369 -0.128866 -0.028871 0.071064 0.034304 25 C 2 XX 0.092551 -0.161722 0.528471 0.450213 0.375329 26 C 2 YY -0.077972 0.151558 -0.547772 -0.391450 -0.097542 27 C 2 ZZ -0.014579 0.010164 0.019300 -0.058763 -0.277787 28 C 2 XY -0.115397 -0.220312 -0.117310 0.204706 0.076114 29 C 2 XZ 0.007579 0.013181 -0.046964 -0.053463 -0.037079 30 C 2 YZ -0.067292 -0.006537 -0.047346 -0.069382 -0.016675 31 C 3 S 0.017424 -0.051942 0.387286 0.016345 0.548311 32 C 3 S -0.037401 -0.143015 0.743680 0.114759 0.985042 33 C 3 S -5.799564 -2.216108 -5.012360 1.817143 -5.301369 34 C 3 X 0.258994 0.094217 0.064649 -0.257665 -0.264126 35 C 3 Y -0.194469 -0.011142 -0.079531 -0.130734 0.000943 36 C 3 Z -0.008188 -0.003916 0.021205 -0.012955 -0.049112 37 C 3 X 3.481508 1.872219 3.035470 2.069812 -2.358752 38 C 3 Y -2.578950 -1.219708 -2.522224 4.716438 -1.125762 39 C 3 Z 0.317573 0.230598 0.228358 0.335559 -0.263252 40 C 3 XX -0.063436 -0.018775 -0.245036 0.161146 -0.203802 41 C 3 YY -0.083054 -0.062316 -0.003537 0.088000 -0.159355 42 C 3 ZZ 0.146490 0.081091 0.248573 -0.249147 0.363157 43 C 3 XY 0.198985 0.265006 -0.252617 -0.115591 -0.502806 44 C 3 XZ -0.037352 -0.041434 0.046425 0.105098 -0.031357 45 C 3 YZ -0.070661 -0.047491 0.022767 0.002529 -0.092993 46 C 4 S -0.086247 -0.047200 0.115900 0.400270 -0.345657 47 C 4 S -0.140308 -0.093301 0.250120 0.724713 -0.603419 48 C 4 S 2.169160 0.499233 -0.184343 -5.491237 4.308434 49 C 4 X -0.042353 0.075231 -0.162012 0.085444 -0.166298 50 C 4 Y 0.081899 0.039443 -0.086836 0.062255 -0.192079 51 C 4 Z -0.005752 -0.031718 -0.009237 0.009513 -0.020514 52 C 4 X -0.410935 -0.480115 -0.330271 1.614733 -1.943534 53 C 4 Y 1.355762 0.930146 0.485123 -0.059621 -0.493117 54 C 4 Z -0.265359 -0.265040 -0.674804 1.043684 -0.736987 55 C 4 XX 0.074823 -0.033220 0.008064 -0.105034 0.286131 56 C 4 YY -0.173995 0.063976 0.026337 -0.196159 0.140934 57 C 4 ZZ 0.099172 -0.030757 -0.034401 0.301193 -0.427064 58 C 4 XY 0.051644 0.035396 -0.041679 -0.139229 0.324360 59 C 4 XZ 0.007124 -0.094893 0.196308 -0.031213 0.156604 60 C 4 YZ -0.073164 -0.056127 0.059357 0.004370 0.185845 61 S 5 S 0.004851 0.000959 -0.009622 -0.027763 0.012368 62 S 5 S 0.031853 0.010858 -0.073768 -0.199154 0.084354 63 S 5 S 0.025018 0.028413 -0.108609 -0.243059 0.085942 64 S 5 S 0.145266 0.218738 0.425504 0.889422 -0.291741 65 S 5 X 0.004288 -0.015028 0.010634 -0.014476 0.010482 66 S 5 Y -0.001922 -0.001956 0.018824 0.024612 -0.011896 67 S 5 Z 0.004445 0.009308 0.005178 -0.000445 0.001746 68 S 5 X 0.026729 -0.053968 0.056717 -0.056584 0.048018 69 S 5 Y -0.017953 -0.010993 0.083439 0.105996 -0.043225 70 S 5 Z 0.015646 0.040669 0.016856 -0.001155 0.009256 71 S 5 X -0.009733 -0.107899 -0.091798 -0.341238 0.130114 72 S 5 Y -0.272919 0.061782 -0.032959 -0.131687 0.194078 73 S 5 Z 0.033759 0.067185 0.068164 -0.042415 0.089064 74 S 5 XX -0.012065 -0.007190 -0.065989 0.051318 -0.025571 75 S 5 YY -0.016627 -0.004189 0.033911 -0.019429 -0.011932 76 S 5 ZZ 0.028691 0.011379 0.032078 -0.031889 0.037503 77 S 5 XY 0.034828 0.027608 -0.108749 -0.134444 0.039278 78 S 5 XZ -0.016980 -0.036071 -0.019958 -0.001612 -0.014248 79 S 5 YZ 0.009753 0.029527 0.009881 -0.005266 0.029573 80 S 5 XX -0.000712 -0.003286 -0.023106 0.009465 -0.006184 81 S 5 YY -0.003740 -0.008272 0.025101 0.004328 0.002289 82 S 5 ZZ 0.004452 0.011558 -0.001995 -0.013793 0.003895 83 S 5 XY 0.011262 0.002616 -0.020449 -0.021562 0.012925 84 S 5 XZ -0.005338 -0.010270 -0.005050 0.002085 -0.007513 85 S 5 YZ 0.002574 0.009126 -0.001184 -0.003527 0.012453 86 H 6 S 0.062129 0.172435 0.175201 -0.238147 -0.189107 87 H 6 S -0.087229 -0.068994 0.005163 -0.028378 0.322259 88 H 6 X 0.182002 -0.020382 0.371982 0.146182 -0.041681 89 H 6 Y 0.008871 0.209998 -0.126189 -0.291154 -0.315622 90 H 6 Z -0.008060 0.026953 -0.016054 -0.049261 -0.033124 91 C 7 S -0.416593 0.005061 0.005937 -0.057444 0.002998 92 C 7 S -0.679171 0.062985 -0.000636 -0.166282 -0.010022 93 C 7 S 9.374500 2.767794 1.462468 -2.968399 -1.619834 94 C 7 X -0.159070 -0.145378 -0.208350 0.257860 0.291634 95 C 7 Y -0.152097 -0.165732 -0.006092 0.191573 0.005487 96 C 7 Z 0.033882 0.041196 0.054954 -0.032961 -0.065757 97 C 7 X 0.626028 -0.118019 -2.409893 -1.044106 3.915444 98 C 7 Y -5.090081 -1.271902 -0.612237 1.717068 1.202168 99 C 7 Z 0.011732 -0.057809 0.495867 0.052808 -0.570884 100 C 7 XX 0.332796 0.029739 -0.171895 -0.210537 -0.164352 101 C 7 YY 0.188595 0.086320 0.210012 0.084640 0.053888 102 C 7 ZZ -0.521391 -0.116059 -0.038116 0.125898 0.110464 103 C 7 XY 0.056401 0.122285 0.310472 -0.051341 -0.438049 104 C 7 XZ -0.122002 -0.088490 0.109311 0.087969 0.016790 105 C 7 YZ 0.030978 0.014591 -0.052230 0.003297 0.097634 106 C 8 S -0.072869 -0.072656 -0.083331 0.114433 0.009495 107 C 8 S -0.154194 -0.153934 -0.149767 0.245399 -0.045534 108 C 8 S -1.143150 0.125092 1.959191 0.664234 -2.604653 109 C 8 X -0.118652 -0.053607 0.051186 0.098655 -0.122955 110 C 8 Y 0.173312 0.137529 -0.032911 -0.212705 0.217795 111 C 8 Z 0.025159 0.014446 -0.018655 -0.028823 0.037923 112 C 8 X 0.058196 0.297053 0.132616 -0.114959 0.496617 113 C 8 Y 0.993747 0.079918 -1.445241 -0.554109 2.119960 114 C 8 Z 0.064691 0.031198 -0.121073 -0.021635 0.187147 115 C 8 XX 0.074816 0.225602 0.193098 -0.234159 0.183270 116 C 8 YY -0.069242 -0.257773 -0.164534 0.254719 -0.374956 117 C 8 ZZ -0.005574 0.032171 -0.028564 -0.020560 0.191686 118 C 8 XY 0.253939 0.147349 -0.006503 -0.086673 -0.075306 119 C 8 XZ 0.023167 0.016641 -0.027635 -0.026079 0.019555 120 C 8 YZ 0.020605 -0.045041 -0.011312 0.003046 -0.044755 121 C 9 S 0.512245 0.177854 -0.192808 -0.346878 0.502735 122 C 9 S 0.923364 0.343327 -0.336164 -0.614006 0.913465 123 C 9 S -6.991031 -1.836829 2.049302 5.356432 -6.512870 124 C 9 X 0.140206 0.060427 0.067862 -0.156296 0.074611 125 C 9 Y -0.121836 0.081685 0.142828 -0.144319 0.044231 126 C 9 Z 0.009659 -0.015869 0.039899 -0.007404 -0.013676 127 C 9 X 1.806434 0.877540 -0.824490 0.219923 -0.484017 128 C 9 Y -0.690254 0.462657 1.350838 0.999725 -2.699222 129 C 9 Z -2.857920 -0.493601 0.611695 1.669408 -1.742615 130 C 9 XX -0.399053 -0.077720 0.255740 0.176274 -0.360538 131 C 9 YY 0.006059 0.136614 0.015126 -0.136793 0.170119 132 C 9 ZZ 0.392995 -0.058894 -0.270867 -0.039481 0.190419 133 C 9 XY 0.132888 0.236157 -0.192929 -0.087120 -0.082796 134 C 9 XZ 0.185619 0.046428 0.102301 -0.075324 0.020696 135 C 9 YZ -0.102968 0.132162 0.127281 -0.137441 -0.002244 136 C 10 S 0.379065 0.166018 0.120179 -0.306215 -0.087604 137 C 10 S 0.610927 0.262514 0.166171 -0.514195 -0.146007 138 C 10 S -8.205235 -2.851376 -3.828740 6.307747 3.139820 139 C 10 X -0.061895 0.001586 0.000513 0.026914 0.208906 140 C 10 Y -0.130497 -0.123161 0.136129 0.023637 0.221186 141 C 10 Z 0.032913 0.017392 0.009701 -0.017098 -0.016626 142 C 10 X -5.882757 -1.564223 -2.294953 1.996764 1.776854 143 C 10 Y 2.421493 0.043289 -0.920216 -2.893692 2.347608 144 C 10 Z 0.632359 0.109242 0.351888 -0.308894 -0.584627 145 C 10 XX -0.310612 -0.338510 -0.288981 0.154476 0.215854 146 C 10 YY -0.184617 0.078556 0.065296 0.196602 -0.058836 147 C 10 ZZ 0.495229 0.259954 0.223685 -0.351077 -0.157017 148 C 10 XY -0.208536 -0.219451 0.086924 0.466892 0.512048 149 C 10 XZ 0.267211 0.087642 0.119195 -0.058583 0.017554 150 C 10 YZ 0.034916 0.003930 0.052635 -0.119210 -0.099351 151 C 11 S -0.452973 -0.164905 -0.319835 0.208110 -0.005449 152 C 11 S -0.748796 -0.281008 -0.563832 0.326960 -0.007141 153 C 11 S 10.285782 3.540927 5.461270 -4.713689 1.174961 154 C 11 X 0.007517 0.081575 -0.025077 -0.136385 -0.037826 155 C 11 Y 0.069933 -0.031712 -0.081276 0.081833 0.079244 156 C 11 Z 0.036464 0.034832 0.002412 0.005811 0.010357 157 C 11 X 4.782256 2.038422 3.746670 -1.520625 -0.140382 158 C 11 Y 1.291887 -0.128773 -0.385187 -4.783452 0.428974 159 C 11 Z -0.204209 -0.330508 0.214480 -0.501564 0.044778 160 C 11 XX 0.429201 0.305855 0.013896 -0.356680 -0.345389 161 C 11 YY 0.086700 -0.115815 0.258716 0.039255 0.304785 162 C 11 ZZ -0.515901 -0.190040 -0.272611 0.317426 0.040605 163 C 11 XY -0.289410 -0.165383 0.065490 0.385617 0.302175 164 C 11 XZ 0.157921 0.064986 0.033127 0.085769 0.051744 165 C 11 YZ 0.001899 0.017877 -0.059726 -0.016616 -0.020128 166 C 12 S 0.096452 -0.050456 -0.036165 -0.010244 -0.114744 167 C 12 S 0.202037 -0.049182 -0.020718 -0.007234 -0.189658 168 C 12 S -2.448701 0.514756 0.473937 0.798163 1.364270 169 C 12 X 0.076807 0.051681 0.080503 -0.003517 -0.054947 170 C 12 Y -0.135400 0.073114 0.010056 0.064918 0.022864 171 C 12 Z 0.024637 0.088862 -0.037054 0.067242 0.072709 172 C 12 X -0.786023 0.145215 0.004388 -0.040816 -0.208856 173 C 12 Y -0.477801 0.427496 0.300507 0.214558 -0.410153 174 C 12 Z 0.573953 0.481263 -0.570278 0.799101 0.683967 175 C 12 XX 0.113442 -0.060269 0.050905 0.080898 0.022519 176 C 12 YY -0.042824 -0.026412 0.029117 -0.159666 -0.102584 177 C 12 ZZ -0.070619 0.086681 -0.080022 0.078768 0.080065 178 C 12 XY -0.055477 -0.238751 -0.098373 0.188702 0.038664 179 C 12 XZ 0.009132 -0.095388 0.023501 -0.079246 -0.040401 180 C 12 YZ 0.052226 -0.009917 -0.037037 0.036889 0.005108 181 C 13 S 0.071795 -0.193415 0.075178 -0.076915 0.060009 182 C 13 S 0.096751 -0.308987 0.128894 -0.131126 0.106933 183 C 13 S -1.125631 2.415215 -0.817086 0.584025 -0.756174 184 C 13 X 0.086435 -0.157310 0.020444 -0.023391 0.017361 185 C 13 Y 0.031891 -0.026229 -0.024928 -0.041781 -0.029842 186 C 13 Z 0.075963 -0.020776 0.043878 -0.019729 0.036489 187 C 13 X 0.429818 -0.421929 -0.226863 0.359537 -0.034775 188 C 13 Y 0.273513 -0.202551 -0.150472 -0.185792 -0.238366 189 C 13 Z -0.196436 0.057598 0.541421 -0.753721 -0.151447 190 C 13 XX 0.034908 0.138399 0.014876 -0.022436 0.020255 191 C 13 YY 0.037356 -0.070952 0.016593 0.078008 0.082903 192 C 13 ZZ -0.072264 -0.067446 -0.031469 -0.055572 -0.103158 193 C 13 XY 0.014928 -0.007180 -0.019893 -0.047617 0.003892 194 C 13 XZ -0.014100 -0.082248 0.001759 -0.021600 -0.020796 195 C 13 YZ 0.054270 0.023160 -0.009292 -0.038007 -0.064597 196 C 14 S -0.006171 0.000780 -0.030496 0.090782 0.059661 197 C 14 S -0.018000 -0.007460 -0.067040 0.150202 0.104706 198 C 14 S 1.120406 0.186206 1.039515 -1.937679 -0.415702 199 C 14 X -0.107108 -0.068456 -0.062235 0.049136 0.014398 200 C 14 Y -0.007352 -0.109647 0.015217 0.086522 0.078081 201 C 14 Z 0.047007 0.078310 -0.021578 0.067205 0.015533 202 C 14 X -0.268899 0.422696 0.173360 -0.710284 -0.276518 203 C 14 Y 0.080098 -0.334873 0.235353 0.812340 0.410516 204 C 14 Z 0.705968 0.971673 -0.419918 1.271255 0.219171 205 C 14 XX 0.062854 -0.030981 -0.163569 -0.131036 -0.165205 206 C 14 YY -0.126402 -0.127959 0.097233 0.079186 0.120316 207 C 14 ZZ 0.063548 0.158940 0.066336 0.051850 0.044888 208 C 14 XY -0.204973 0.051530 0.064532 0.193076 0.144189 209 C 14 XZ 0.012763 -0.077745 0.006086 -0.067439 -0.024007 210 C 14 YZ -0.107437 -0.131590 0.028372 -0.110018 -0.055809 211 F 15 S 0.095447 0.342945 -0.029421 0.253748 0.312324 212 F 15 S 0.213169 0.745194 -0.063562 0.549363 0.674697 213 F 15 S -0.339925 -1.342519 0.152202 -1.069084 -1.320347 214 F 15 X 0.012129 0.006523 -0.012027 0.022992 0.011399 215 F 15 Y -0.035952 -0.025701 0.013023 -0.008937 -0.003439 216 F 15 Z -0.025681 -0.041151 -0.018065 -0.009816 -0.031526 217 F 15 X -0.062717 -0.096234 0.035827 -0.096394 -0.091120 218 F 15 Y 0.131896 0.050133 -0.054311 0.031908 0.056947 219 F 15 Z 0.020950 0.393261 0.017356 0.248051 0.347311 220 F 15 XX 0.009070 -0.047516 0.000222 -0.026372 -0.006647 221 F 15 YY -0.003571 -0.017867 -0.003340 -0.014388 -0.036816 222 F 15 ZZ -0.005499 0.065383 0.003118 0.040761 0.043463 223 F 15 XY -0.023508 0.018286 0.002166 -0.012456 0.015512 224 F 15 XZ -0.014624 -0.020343 0.007366 -0.015590 -0.022508 225 F 15 YZ 0.012170 0.012903 -0.013275 0.017604 0.021946 226 F 16 S -0.240692 0.195933 0.215444 -0.037126 -0.001577 227 F 16 S -0.524828 0.425314 0.465415 -0.072041 -0.004738 228 F 16 S 1.011063 -0.762324 -0.917406 0.225661 0.022090 229 F 16 X -0.007818 -0.019904 0.036870 -0.029043 -0.012826 230 F 16 Y 0.035673 -0.032422 -0.018963 -0.022057 -0.008813 231 F 16 Z -0.013725 0.034780 -0.002654 0.067235 0.040767 232 F 16 X 0.085070 0.002473 -0.141687 0.129495 0.013310 233 F 16 Y -0.244275 0.205609 0.223287 -0.103641 0.007009 234 F 16 Z 0.096103 -0.220747 -0.069312 -0.141834 -0.136985 235 F 16 XX 0.018284 -0.040675 -0.004933 0.001679 0.018001 236 F 16 YY -0.036993 0.030299 0.021360 -0.021381 -0.019587 237 F 16 ZZ 0.018708 0.010377 -0.016427 0.019702 0.001586 238 F 16 XY 0.023401 0.023847 -0.019033 0.004562 -0.013447 239 F 16 XZ -0.022587 0.005570 -0.003646 0.011104 -0.000634 240 F 16 YZ 0.000665 -0.045795 -0.035190 0.012834 -0.015265 241 F 17 S -0.148576 -0.036600 0.063039 -0.353382 -0.124205 242 F 17 S -0.318618 -0.072668 0.133094 -0.764981 -0.268740 243 F 17 S 0.622420 0.261428 -0.314213 1.580869 0.540877 244 F 17 X -0.003956 -0.028853 0.024552 -0.000143 0.007780 245 F 17 Y -0.032626 0.011563 -0.006747 -0.027316 -0.006677 246 F 17 Z 0.040138 0.054180 -0.019295 -0.033807 -0.026148 247 F 17 X 0.073155 0.049378 -0.054310 0.059626 0.044007 248 F 17 Y 0.238854 0.101705 -0.087663 0.285390 0.074632 249 F 17 Z -0.015505 -0.104279 -0.019921 0.214641 0.096812 250 F 17 XX 0.020567 0.009348 -0.004818 0.026465 0.000882 251 F 17 YY -0.027533 -0.008371 0.008839 -0.040454 -0.014382 252 F 17 ZZ 0.006966 -0.000977 -0.004021 0.013989 0.013500 253 F 17 XY 0.005260 -0.018581 0.006023 -0.032842 -0.016637 254 F 17 XZ -0.000721 0.005933 -0.010507 -0.025228 -0.032698 255 F 17 YZ -0.026598 -0.002198 0.017839 -0.024765 -0.001825 256 F 18 S 0.186188 0.329935 -0.061439 0.154595 0.017303 257 F 18 S 0.405166 0.713579 -0.135294 0.332851 0.036401 258 F 18 S -0.796458 -1.342379 0.254302 -0.680729 -0.070840 259 F 18 X -0.004461 0.010101 -0.010113 0.007506 -0.001521 260 F 18 Y 0.023941 0.036759 -0.001688 0.056376 0.035511 261 F 18 Z -0.010532 0.004381 0.011397 0.033452 0.029831 262 F 18 X -0.016999 -0.131374 0.044006 -0.074220 0.004323 263 F 18 Y -0.116723 -0.192388 0.015456 -0.260479 -0.118746 264 F 18 Z 0.155106 0.286620 -0.014026 0.017826 -0.028862 265 F 18 XX -0.008392 -0.014587 0.004065 -0.009545 -0.015929 266 F 18 YY 0.004991 -0.016405 -0.008009 0.005958 0.006007 267 F 18 ZZ 0.003401 0.030992 0.003944 0.003587 0.009922 268 F 18 XY 0.027378 -0.016218 -0.000485 0.018970 0.020302 269 F 18 XZ -0.019758 -0.036787 -0.000988 -0.012689 -0.006272 270 F 18 YZ -0.022873 -0.058994 0.006268 -0.032468 -0.000083 271 C 19 S -0.054538 0.011867 0.014307 0.034592 -0.010120 272 C 19 S -0.122529 0.021147 0.027799 0.069558 -0.011139 273 C 19 S -0.263284 -0.191447 0.262889 0.090000 -0.627738 274 C 19 X 0.043554 0.210189 0.170462 -0.029709 -0.059949 275 C 19 Y 0.050500 -0.112626 -0.132903 0.035838 -0.073171 276 C 19 Z -0.021669 -0.020641 -0.037555 -0.005443 0.013467 277 C 19 X 0.146774 0.211456 -0.044481 -0.087514 0.222817 278 C 19 Y -0.027611 -0.011351 -0.077265 0.114101 -0.074668 279 C 19 Z -0.064638 -0.035926 -0.049208 -0.015071 0.086538 280 C 19 XX 0.064176 0.425216 0.377689 -0.155698 0.056206 281 C 19 YY -0.057858 -0.244279 -0.197088 0.118475 -0.026510 282 C 19 ZZ -0.006318 -0.180937 -0.180601 0.037223 -0.029696 283 C 19 XY 0.013227 0.063257 0.076814 -0.113582 0.163681 284 C 19 XZ 0.021051 0.035317 0.050277 -0.034017 0.030677 285 C 19 YZ -0.035938 -0.033269 -0.042066 -0.019329 0.060024 286 H 20 S -0.033704 -0.342435 -0.290673 0.097730 -0.014634 287 H 20 S -0.023310 -0.143522 -0.036064 -0.000213 0.015642 288 H 20 X -0.014203 0.265841 0.229691 -0.028066 -0.046304 289 H 20 Y -0.055797 -0.127000 -0.099115 0.104007 -0.094117 290 H 20 Z -0.001867 0.006457 -0.001675 0.021141 -0.032092 291 H 21 S -0.007388 0.156176 0.129046 -0.085942 0.107211 292 H 21 S -0.012330 0.027519 0.017620 -0.032634 0.065039 293 H 21 X 0.004217 0.010291 0.006869 -0.009955 0.018230 294 H 21 Y 0.045340 -0.033286 -0.058463 -0.016431 0.032075 295 H 21 Z 0.039357 0.120091 0.082077 -0.094873 0.101839 296 C 22 S 0.002317 0.001512 0.000904 -0.012988 0.007485 297 C 22 S -0.007133 0.003522 -0.001099 -0.020217 0.014011 298 C 22 S -0.505611 -0.041307 -0.382651 -0.118132 -0.285836 299 C 22 X -0.152892 0.125073 -0.286589 -0.280335 -0.005687 300 C 22 Y -0.083109 0.028947 -0.139682 -0.030263 0.000764 301 C 22 Z 0.006480 -0.015536 0.004327 0.023678 0.006173 302 C 22 X -0.033550 0.026380 -0.085632 -0.149172 -0.138172 303 C 22 Y -0.155208 -0.039630 -0.161876 0.044046 -0.179112 304 C 22 Z 0.006003 -0.024877 -0.005734 0.029365 0.042037 305 C 22 XX -0.037279 0.084967 -0.198397 -0.228351 -0.076474 306 C 22 YY 0.210263 -0.199209 0.459282 0.487297 0.071826 307 C 22 ZZ -0.172984 0.114242 -0.260885 -0.258946 0.004648 308 C 22 XY 0.182398 -0.128993 0.408933 0.280878 0.041688 309 C 22 XZ 0.006869 -0.033208 0.017743 0.039769 0.014664 310 C 22 YZ 0.023825 0.007172 0.049735 0.039266 -0.013544 311 H 23 S -0.211555 0.149345 -0.434210 -0.355672 -0.039431 312 H 23 S -0.035479 0.011005 -0.115767 -0.025358 -0.060089 313 H 23 X -0.137534 0.125546 -0.328272 -0.286034 -0.063885 314 H 23 Y -0.107772 0.062829 -0.197866 -0.119180 0.036089 315 H 23 Z -0.002634 0.006926 0.006448 0.004557 -0.008033 316 H 24 S 0.168805 -0.077525 0.264619 0.218206 0.020952 317 H 24 S 0.038078 -0.029711 0.046696 0.072264 0.002838 318 H 24 X -0.052247 0.030692 -0.067248 -0.052084 0.041764 319 H 24 Y -0.002237 -0.018923 -0.020050 0.004205 -0.009200 320 H 24 Z -0.108621 0.065952 -0.196659 -0.189742 -0.037540 321 H 25 S 0.185580 -0.127723 0.256499 0.266807 0.047676 322 H 25 S 0.065849 -0.022728 0.077289 0.088120 0.042726 323 H 25 X -0.061040 0.039260 -0.058865 -0.059344 0.031858 324 H 25 Y 0.002205 0.012587 -0.019723 -0.012221 -0.029393 325 H 25 Z 0.116865 -0.091370 0.200669 0.214331 0.046655 326 C 26 S 0.158530 0.028574 -0.081461 -0.059038 0.166325 327 C 26 S 0.272718 0.060834 -0.165918 -0.096676 0.318499 328 C 26 S -1.391865 0.018228 0.240098 0.617928 -0.821627 329 C 26 X -0.188789 0.104089 -0.401326 0.238775 0.082955 330 C 26 Y 0.337319 0.150585 0.110873 0.352964 -0.558132 331 C 26 Z -0.058611 0.016323 0.048342 -0.086207 0.084400 332 C 26 X -0.200120 0.081619 -0.378003 0.361973 -0.037355 333 C 26 Y 0.008959 0.084088 0.183094 0.372715 -0.535994 334 C 26 Z -0.631823 -0.051201 0.261754 0.121762 -0.383174 335 C 26 XX -0.189897 -0.047747 -0.337016 -0.198014 0.618476 336 C 26 YY 0.190152 0.042356 0.207040 0.109371 -0.381520 337 C 26 ZZ -0.000255 0.005391 0.129976 0.088642 -0.236955 338 C 26 XY 0.059484 -0.192285 0.378281 -0.419606 0.209751 339 C 26 XZ 0.232945 -0.018824 0.368656 -0.257642 -0.046181 340 C 26 YZ -0.481429 -0.072863 -0.049953 -0.453335 0.638572 341 H 27 S 0.158426 0.223309 -0.298293 0.576063 -0.489276 342 H 27 S -0.075241 0.067973 -0.029529 0.262228 -0.239192 343 H 27 X 0.140565 0.144574 -0.143887 0.330880 -0.260491 344 H 27 Y 0.012670 0.109775 -0.164472 0.366527 -0.345253 345 H 27 Z 0.017735 0.080893 0.020139 -0.012766 -0.030015 346 H 28 S -0.353643 -0.158259 -0.221739 -0.512634 0.875073 347 H 28 S -0.136962 -0.082721 -0.058110 -0.162315 0.222716 348 H 28 X -0.051043 0.002080 -0.010642 -0.164714 0.189561 349 H 28 Y 0.370612 0.107247 0.101841 0.330199 -0.519960 350 H 28 Z -0.089507 -0.086064 -0.088525 -0.147871 0.292611 351 H 29 S 0.407978 -0.095998 0.652614 -0.212823 -0.344470 352 H 29 S 0.070035 -0.064224 0.307052 -0.136528 -0.166451 353 H 29 X -0.317408 0.051850 -0.451965 0.114266 0.302454 354 H 29 Y 0.075164 -0.017173 0.189709 -0.110428 -0.090110 355 H 29 Z -0.001314 -0.051470 0.159486 -0.029450 -0.106871 356 C 30 S 0.014677 -0.012693 -0.019256 0.069430 -0.120065 357 C 30 S 0.059387 -0.025119 -0.021432 0.115676 -0.206827 358 C 30 S 0.075638 -0.033991 0.587613 -0.220830 0.505903 359 C 30 X 0.015728 -0.244387 0.200509 -0.201757 0.012070 360 C 30 Y -0.320639 0.194172 0.525407 -0.049942 -0.177631 361 C 30 Z 0.183318 -0.017971 -0.089625 0.016171 0.027605 362 C 30 X 0.219959 -0.092033 0.170985 -0.402427 -0.063803 363 C 30 Y -0.398380 0.070601 0.350786 0.133979 -0.465135 364 C 30 Z 0.235407 -0.094056 -0.258984 0.134453 -0.182531 365 C 30 XX -0.296228 0.156190 0.503489 0.030570 -0.289004 366 C 30 YY 0.322168 -0.141335 -0.301917 -0.022261 0.214696 367 C 30 ZZ -0.025940 -0.014855 -0.201572 -0.008309 0.074308 368 C 30 XY -0.005433 -0.233946 0.348981 -0.268024 -0.007837 369 C 30 XZ 0.035589 -0.231647 0.175053 -0.149093 0.042667 370 C 30 YZ -0.442139 0.229457 0.550709 -0.107329 -0.049995 371 H 31 S -0.607557 0.277716 0.639229 -0.025516 -0.351972 372 H 31 S -0.285084 0.109108 0.229210 0.009529 -0.212085 373 H 31 X 0.019305 0.003333 -0.021823 0.046337 0.032755 374 H 31 Y -0.435077 0.209634 0.486130 -0.052240 -0.144590 375 H 31 Z 0.218932 -0.104171 -0.235103 -0.007872 0.183303 376 H 32 S 0.206559 -0.392234 -0.143148 -0.220552 0.052579 377 H 32 S 0.104349 -0.038903 -0.036051 -0.226932 0.085679 378 H 32 X 0.048081 -0.295368 -0.082006 -0.141718 0.074701 379 H 32 Y -0.106312 0.137101 0.048290 0.109835 -0.022717 380 H 32 Z 0.031258 0.077034 0.055876 -0.006761 0.019405 381 H 33 S 0.116808 0.126468 -0.693604 0.269324 0.180348 382 H 33 S -0.071508 0.048422 -0.211525 0.161576 0.149775 383 H 33 X -0.081193 -0.096264 0.426159 -0.176936 -0.047572 384 H 33 Y -0.040271 -0.062563 0.314160 -0.124858 -0.126740 385 H 33 Z 0.023533 0.007238 0.063176 -0.026401 -0.071055 386 H 34 S 0.073279 0.208122 0.198351 -0.054014 0.017182 387 H 34 S 0.067154 0.071061 0.059724 -0.022906 -0.000267 388 H 34 X 0.018990 0.042028 0.032913 0.004418 -0.014834 389 H 34 Y 0.006058 -0.025132 -0.058669 -0.035749 0.072467 390 H 34 Z -0.071917 -0.151369 -0.142698 0.072895 -0.047477 391 F 35 S -0.236133 0.488687 0.008600 0.004121 0.007364 392 F 35 S -0.514401 1.060168 0.019246 0.010842 0.018194 393 F 35 S 0.977320 -1.975635 -0.043257 0.060005 0.034118 394 F 35 X -0.037454 0.061868 0.002500 0.016410 0.009717 395 F 35 Y -0.004815 0.007110 -0.001136 -0.004745 0.014045 396 F 35 Z 0.037875 -0.021504 0.020693 -0.013419 0.017300 397 F 35 X 0.234623 -0.572452 -0.005850 -0.035804 -0.018462 398 F 35 Y 0.002222 -0.060088 0.020256 0.056946 0.007651 399 F 35 Z -0.157895 0.202641 -0.095006 0.068427 -0.051994 400 F 35 XX -0.025813 0.074727 0.012416 0.000621 0.013077 401 F 35 YY 0.012318 -0.038565 0.007469 -0.006679 -0.002206 402 F 35 ZZ 0.013495 -0.036161 -0.019885 0.006058 -0.010871 403 F 35 XY -0.001733 0.028528 -0.004602 -0.016761 -0.008658 404 F 35 XZ 0.031422 -0.042423 0.014729 -0.007925 0.007648 405 F 35 YZ -0.007157 -0.006357 0.002553 -0.002786 0.022628 406 F 36 S -0.242860 0.141910 -0.168074 0.105192 -0.115546 407 F 36 S -0.530977 0.304815 -0.363285 0.226260 -0.249119 408 F 36 S 0.870454 -0.644333 0.756948 -0.552178 0.450214 409 F 36 X -0.029905 -0.072892 0.004104 -0.026854 -0.019154 410 F 36 Y 0.015417 0.014849 0.008845 0.003055 -0.024549 411 F 36 Z -0.048327 0.030636 -0.015539 0.010622 -0.011911 412 F 36 X 0.021693 0.232418 0.000509 0.050102 0.056951 413 F 36 Y -0.081371 -0.023041 -0.041060 0.011516 0.051386 414 F 36 Z 0.320110 -0.215791 0.181020 -0.092826 0.166610 415 F 36 XX 0.037278 -0.012989 -0.011802 0.012117 0.009686 416 F 36 YY 0.013496 -0.009287 0.032755 -0.018072 0.014031 417 F 36 ZZ -0.050774 0.022275 -0.020953 0.005956 -0.023718 418 F 36 XY 0.009012 0.025543 0.012770 0.018386 0.005765 419 F 36 XZ 0.006574 -0.031843 -0.002114 -0.001181 -0.007390 420 F 36 YZ 0.008804 0.003383 0.014037 0.006316 0.014407 421 C 37 S -0.148282 0.102999 0.249247 0.108090 -0.268295 422 C 37 S -0.259924 0.183085 0.472300 0.161283 -0.397463 423 C 37 S 2.689606 -0.633590 -2.866416 -2.921984 6.533989 424 C 37 X -0.240686 -0.075779 -0.014015 0.159704 0.044295 425 C 37 Y 0.077274 0.224051 0.040641 -0.082916 0.022916 426 C 37 Z 0.040391 0.049655 -0.009788 -0.005942 -0.015574 427 C 37 X -1.822832 -0.173001 1.296748 1.386836 -2.649100 428 C 37 Y 0.195970 0.050641 -0.871412 0.537485 -0.425721 429 C 37 Z 0.288787 0.076332 -0.133006 0.023480 -0.153998 430 C 37 XX -0.330758 -0.224264 0.088905 0.213800 0.113050 431 C 37 YY 0.424141 0.157155 -0.231605 -0.321686 0.308928 432 C 37 ZZ -0.093382 0.067109 0.142700 0.107886 -0.421978 433 C 37 XY 0.043660 -0.289059 -0.202300 0.247902 -0.323266 434 C 37 XZ -0.073772 -0.063482 -0.008121 0.061444 -0.024451 435 C 37 YZ 0.033265 -0.017138 0.022587 -0.069281 0.110984 436 S 38 S -0.002974 -0.003790 0.005266 -0.005035 -0.008491 437 S 38 S -0.026150 -0.031526 0.030525 -0.034950 -0.062079 438 S 38 S -0.054995 -0.056093 0.009327 -0.035610 -0.079868 439 S 38 S 1.090633 0.344615 -0.069375 -0.298628 0.048314 440 S 38 X 0.006813 -0.018806 -0.018852 0.012052 0.009736 441 S 38 Y -0.005141 0.000794 0.000038 0.011463 0.029807 442 S 38 Z 0.000153 0.003133 -0.004207 0.001769 0.006698 443 S 38 X 0.017127 -0.079776 -0.072677 0.054801 0.027803 444 S 38 Y 0.017028 0.019357 0.021145 0.030770 0.092160 445 S 38 Z -0.000198 0.014547 -0.015788 0.007561 0.023893 446 S 38 X -0.190424 0.146143 0.252352 0.083623 -0.134740 447 S 38 Y -0.448458 -0.022938 0.222527 0.132233 -0.119867 448 S 38 Z -0.038084 -0.008404 -0.024531 -0.003045 0.023121 449 S 38 XX 0.040264 -0.001461 -0.035301 0.051378 0.053039 450 S 38 YY -0.097872 -0.028031 -0.026867 -0.023458 -0.034508 451 S 38 ZZ 0.057608 0.029492 0.062168 -0.027919 -0.018531 452 S 38 XY 0.055381 0.046684 -0.004644 -0.043897 0.006210 453 S 38 XZ 0.006689 0.006284 -0.003035 -0.006579 -0.003454 454 S 38 YZ 0.010547 -0.005152 0.015755 -0.004716 -0.012560 455 S 38 XX 0.005797 0.005990 -0.005713 0.006880 0.016443 456 S 38 YY -0.017884 -0.006974 -0.001710 0.001033 -0.004388 457 S 38 ZZ 0.012087 0.000983 0.007423 -0.007914 -0.012055 458 S 38 XY 0.022456 0.016698 0.004101 -0.010121 -0.003279 459 S 38 XZ 0.003029 0.004924 -0.000530 -0.003039 -0.001151 460 S 38 YZ 0.005221 -0.001082 0.004469 -0.001991 -0.001930 461 H 39 S 0.359687 0.196466 -0.144102 -0.066812 -0.359932 462 H 39 S 0.506017 0.120282 -0.303875 -0.260078 0.376989 463 H 39 X -0.163973 -0.056895 0.061757 -0.002403 0.374978 464 H 39 Y 0.209407 0.182264 0.046453 -0.257900 0.231346 465 H 39 Z 0.037753 0.027287 0.009524 -0.050784 0.057874 391 392 393 394 395 2.9989 3.0306 3.0810 3.0984 3.1429 A A A A A 1 C 1 S -0.026483 0.026824 -0.033918 0.014847 -0.089625 2 C 1 S -0.074825 0.051764 -0.035510 0.031760 -0.178599 3 C 1 S -0.996881 -0.359192 1.119430 0.994070 0.165449 4 C 1 X 0.128688 -0.001208 -0.163359 -0.045440 0.165395 5 C 1 Y -0.034537 -0.007444 -0.014799 0.059563 -0.002695 6 C 1 Z -0.004038 0.000634 0.014102 0.010315 -0.015244 7 C 1 X 0.659891 0.148311 -1.041670 -0.437318 0.178709 8 C 1 Y -0.098139 0.079581 0.862601 -0.553446 -0.295187 9 C 1 Z -0.071438 -0.000674 0.093806 0.003881 -0.052383 10 C 1 XX -0.110339 -0.020926 0.218547 -0.009492 -0.119253 11 C 1 YY 0.036741 0.019199 -0.117308 0.020970 0.128502 12 C 1 ZZ 0.073598 0.001728 -0.101239 -0.011478 -0.009250 13 C 1 XY 0.259141 -0.023033 -0.026641 -0.108248 0.065468 14 C 1 XZ 0.029362 -0.013482 -0.023526 -0.027212 0.037580 15 C 1 YZ -0.027437 0.020574 0.004259 0.032886 -0.009379 16 C 2 S -0.047864 0.015956 0.039872 0.106777 -0.108944 17 C 2 S -0.060104 0.027886 0.049796 0.178895 -0.257087 18 C 2 S 2.307265 0.156764 -0.479812 -2.329348 0.228464 19 C 2 X -0.027033 0.000756 -0.125988 0.079250 0.216053 20 C 2 Y -0.189934 0.055783 -0.010152 0.209974 -0.283974 21 C 2 Z -0.020103 -0.007429 -0.002162 -0.009271 -0.027527 22 C 2 X 0.687226 0.217381 -0.510705 -1.079785 0.089210 23 C 2 Y 0.287993 -0.138757 0.134422 -0.293204 0.009548 24 C 2 Z 0.048972 0.012512 0.124636 0.070760 0.016863 25 C 2 XX 0.380552 -0.037710 -0.287147 -0.165598 0.397435 26 C 2 YY -0.273198 -0.002004 0.182693 0.017090 -0.502191 27 C 2 ZZ -0.107354 0.039713 0.104453 0.148508 0.104756 28 C 2 XY 0.222343 -0.061365 0.267739 -0.306911 -0.107279 29 C 2 XZ -0.040697 -0.018191 0.033090 -0.018707 0.005542 30 C 2 YZ -0.001630 0.002434 0.003301 0.017786 -0.049944 31 C 3 S -0.031945 -0.003705 -0.383259 0.161291 -0.123744 32 C 3 S -0.002283 0.006297 -0.678114 0.259208 -0.202858 33 C 3 S 2.265098 0.649632 7.741230 -6.022839 1.990544 34 C 3 X -0.207060 -0.027182 -0.021013 0.136489 0.074639 35 C 3 Y -0.115867 0.026455 0.006376 0.012898 -0.185061 36 C 3 Z -0.016118 -0.013442 -0.043097 0.029851 -0.032730 37 C 3 X -1.457312 0.566536 -3.437445 5.117893 -0.503961 38 C 3 Y 2.048244 0.484328 3.426701 -2.693283 1.099506 39 C 3 Z -0.120570 -0.063440 -0.009654 -0.066259 -0.055118 40 C 3 XX 0.075048 0.044784 0.167718 0.077922 -0.573104 41 C 3 YY 0.109581 -0.035383 0.089834 -0.213198 0.707381 42 C 3 ZZ -0.184629 -0.009401 -0.257553 0.135276 -0.134277 43 C 3 XY -0.278895 0.072143 0.122706 0.237390 -0.594741 44 C 3 XZ 0.048274 0.045402 0.095682 0.006468 -0.078010 45 C 3 YZ 0.023911 -0.022242 0.020175 0.000237 -0.022543 46 C 4 S 0.130355 0.014375 0.017503 0.008953 0.156980 47 C 4 S 0.260802 0.014872 0.014151 0.004769 0.304103 48 C 4 S -0.206304 -1.044985 -0.476642 -0.655463 -1.616904 49 C 4 X -0.062484 0.058006 0.091919 0.029619 -0.102474 50 C 4 Y 0.099480 -0.033110 0.138214 -0.032349 -0.099220 51 C 4 Z 0.011308 -0.021030 0.042005 -0.016775 0.028022 52 C 4 X 0.864447 0.071684 1.069670 -0.455429 0.601460 53 C 4 Y -0.492935 0.368155 -0.480640 1.270795 -1.071508 54 C 4 Z 0.137410 0.288160 -0.152423 0.455694 -0.134370 55 C 4 XX -0.037165 -0.025638 -0.136327 0.095030 -0.029596 56 C 4 YY -0.155905 0.062569 0.025189 -0.134230 0.214745 57 C 4 ZZ 0.193070 -0.036931 0.111138 0.039200 -0.185149 58 C 4 XY 0.025568 -0.087168 -0.109254 -0.103555 0.280256 59 C 4 XZ 0.072010 -0.054290 -0.058892 0.004793 -0.044707 60 C 4 YZ -0.024650 -0.012111 -0.084579 -0.039104 0.170607 61 S 5 S 0.004471 -0.008352 0.004213 -0.002718 0.000824 62 S 5 S 0.028619 -0.058239 0.028135 -0.016396 0.004856 63 S 5 S 0.022383 -0.065012 0.027994 -0.010394 0.002626 64 S 5 S -0.420850 0.316790 -0.529220 0.633380 -0.210641 65 S 5 X 0.010733 -0.010299 0.016794 -0.021372 0.009138 66 S 5 Y -0.003486 0.004424 0.003737 0.006547 0.003873 67 S 5 Z -0.006056 0.001011 -0.005524 0.004608 -0.001367 68 S 5 X 0.030795 -0.035928 0.051299 -0.064653 0.035576 69 S 5 Y -0.003439 0.018273 0.010897 0.016015 0.026245 70 S 5 Z -0.026011 0.003869 -0.022039 0.015896 -0.000371 71 S 5 X 0.054692 -0.127108 0.209623 -0.155996 0.061291 72 S 5 Y -0.047262 0.135663 -0.214965 -0.015010 -0.009761 73 S 5 Z -0.081272 0.028514 -0.088165 0.082034 -0.038392 74 S 5 XX 0.063088 -0.002445 0.017718 -0.034161 -0.023939 75 S 5 YY -0.063583 0.009838 -0.018289 0.037611 0.010549 76 S 5 ZZ 0.000495 -0.007393 0.000571 -0.003450 0.013390 77 S 5 XY -0.010917 -0.028770 0.008413 -0.008444 -0.042508 78 S 5 XZ 0.023206 -0.005759 0.019891 -0.021757 -0.001826 79 S 5 YZ -0.030289 -0.000804 -0.022779 0.005094 0.012737 80 S 5 XX 0.020808 -0.003650 0.007765 -0.013489 -0.013138 81 S 5 YY -0.015460 0.003747 -0.005800 0.010375 0.008239 82 S 5 ZZ -0.005348 -0.000098 -0.001965 0.003114 0.004899 83 S 5 XY 0.001466 -0.008724 0.002028 -0.002312 -0.009243 84 S 5 XZ 0.008374 -0.001721 0.006095 -0.008385 -0.000467 85 S 5 YZ -0.011781 -0.001085 -0.008123 0.000098 0.005801 86 H 6 S -0.221960 0.087285 -0.150854 0.285461 0.176809 87 H 6 S -0.092477 0.007732 0.045202 -0.104558 -0.004793 88 H 6 X -0.036080 0.009103 -0.103161 0.188483 0.217494 89 H 6 Y -0.302115 0.072944 0.006072 0.207792 -0.024339 90 H 6 Z -0.024927 -0.000904 -0.008815 0.005578 -0.002813 91 C 7 S -0.433674 0.248419 -0.179585 -0.018568 0.092504 92 C 7 S -0.781399 0.419876 -0.305848 -0.017424 0.171817 93 C 7 S 6.367591 -4.274762 2.357733 1.689817 -2.134142 94 C 7 X 0.006989 0.026852 -0.077714 -0.034918 -0.129515 95 C 7 Y 0.030739 0.005769 0.005729 -0.104938 0.036489 96 C 7 Z 0.004412 -0.046880 -0.006075 0.053933 -0.032423 97 C 7 X -1.211816 0.018058 -1.286297 -1.095380 -0.591919 98 C 7 Y -2.966031 2.195529 -0.963752 -0.362537 1.088556 99 C 7 Z 0.327754 0.388210 0.145355 0.429616 0.033209 100 C 7 XX -0.033409 -0.150134 0.115442 -0.005104 0.188844 101 C 7 YY 0.329738 -0.073404 0.047245 0.063856 -0.267866 102 C 7 ZZ -0.296329 0.223538 -0.162687 -0.058752 0.079021 103 C 7 XY 0.090695 0.051404 0.071583 0.195530 -0.135488 104 C 7 XZ -0.060595 0.114022 -0.043506 -0.033652 -0.105529 105 C 7 YZ -0.046960 -0.026109 0.015725 -0.068243 0.079881 106 C 8 S 0.031521 0.016251 0.012756 -0.023409 -0.090334 107 C 8 S 0.047799 0.038648 0.031366 -0.042548 -0.127124 108 C 8 S -1.149666 0.861919 -0.013259 0.165360 1.854894 109 C 8 X -0.037446 0.042070 -0.005823 0.038788 -0.043780 110 C 8 Y 0.052239 -0.085736 -0.011347 -0.001061 -0.033027 111 C 8 Z 0.011391 -0.010800 -0.003587 -0.001942 -0.001628 112 C 8 X -0.026069 -0.089783 0.026845 -0.307015 -0.180485 113 C 8 Y 0.519408 -0.284305 -0.138551 -0.357920 -0.731135 114 C 8 Z 0.035773 -0.024296 -0.004404 -0.028042 -0.082747 115 C 8 XX -0.020543 0.025612 -0.049227 0.051792 -0.268017 116 C 8 YY -0.035834 -0.025924 0.063988 -0.040893 0.463012 117 C 8 ZZ 0.056377 0.000312 -0.014761 -0.010899 -0.194995 118 C 8 XY 0.060135 -0.037117 0.039287 -0.035806 0.335544 119 C 8 XZ -0.005583 -0.003473 -0.006983 -0.010224 0.050423 120 C 8 YZ 0.009070 -0.014148 0.014379 0.001794 0.085853 121 C 9 S 0.220459 -0.268644 0.033560 -0.053145 -0.252051 122 C 9 S 0.400680 -0.475782 0.049095 -0.091574 -0.463784 123 C 9 S -2.197154 3.301220 0.094467 0.436624 3.666908 124 C 9 X 0.012684 -0.061310 -0.009109 -0.001374 -0.068413 125 C 9 Y -0.167884 0.095787 -0.071056 0.081200 -0.102016 126 C 9 Z 0.022176 0.033989 -0.012296 0.023539 -0.020353 127 C 9 X 0.733987 -0.861623 0.494977 -0.071773 0.319450 128 C 9 Y -0.159878 0.690718 0.645913 -0.188847 1.147166 129 C 9 Z -0.809005 0.699989 0.143245 -0.531480 1.504248 130 C 9 XX -0.207158 0.261198 -0.048913 0.043453 -0.181629 131 C 9 YY -0.119800 -0.018278 -0.060407 -0.013890 0.366550 132 C 9 ZZ 0.326958 -0.242920 0.109320 -0.029563 -0.184920 133 C 9 XY -0.167060 -0.011563 0.003063 -0.034478 0.147726 134 C 9 XZ 0.070975 -0.055842 0.022658 0.068774 -0.167289 135 C 9 YZ -0.119261 0.069212 -0.006243 -0.009560 0.080623 136 C 10 S 0.031181 -0.389133 -0.006187 0.102534 -0.111564 137 C 10 S 0.020535 -0.651784 -0.043987 0.179076 -0.242136 138 C 10 S -3.589081 6.170105 -2.980970 -0.994974 0.318158 139 C 10 X 0.019842 0.036534 0.016213 -0.004307 0.007610 140 C 10 Y -0.031577 0.017788 -0.033860 -0.184813 0.192753 141 C 10 Z 0.019272 0.055771 0.022559 0.021259 0.019700 142 C 10 X -3.352781 0.470344 1.165599 -1.450490 2.410269 143 C 10 Y -2.003736 -0.498521 -2.524069 -0.817977 -0.848916 144 C 10 Z 0.269521 -0.892938 0.087616 -0.806705 -0.537458 145 C 10 XX -0.352095 0.240837 -0.177933 -0.271820 0.363815 146 C 10 YY 0.281924 0.137454 0.141241 0.235487 -0.368869 147 C 10 ZZ 0.070171 -0.378291 0.036692 0.036333 0.005055 148 C 10 XY 0.173995 -0.051044 -0.146699 -0.106072 -0.425614 149 C 10 XZ 0.071895 0.034955 0.084375 0.147190 0.021662 150 C 10 YZ -0.005665 0.049458 0.049584 -0.061259 0.021505 151 C 11 S 0.155958 0.046310 0.167604 -0.180199 0.188285 152 C 11 S 0.213391 0.060249 0.292524 -0.281290 0.332471 153 C 11 S -4.650297 -1.860663 -5.936183 7.165486 -3.410062 154 C 11 X -0.100303 0.037777 0.030537 -0.152524 -0.045749 155 C 11 Y 0.012911 -0.120189 -0.091889 -0.030611 0.105872 156 C 11 Z -0.043309 -0.003913 0.028839 -0.029796 0.001113 157 C 11 X -0.281080 -0.242462 -6.364487 4.653812 -0.588503 158 C 11 Y 0.757834 -1.480247 0.723741 -3.344791 -0.083053 159 C 11 Z 0.423314 0.377514 -0.037794 0.930944 0.183398 160 C 11 XX -0.409671 0.087646 -0.002118 0.507491 -0.646352 161 C 11 YY 0.119853 -0.180614 -0.153133 -0.345674 0.503848 162 C 11 ZZ 0.289818 0.092968 0.155251 -0.161817 0.142504 163 C 11 XY 0.258772 0.050919 0.148956 -0.002547 -0.833539 164 C 11 XZ -0.131728 0.014992 -0.045039 -0.056923 -0.055532 165 C 11 YZ -0.082702 -0.014706 -0.088461 -0.058483 -0.018051 166 C 12 S 0.083058 0.257279 -0.313685 -0.222506 -0.388888 167 C 12 S 0.155576 0.407660 -0.530833 -0.396707 -0.702989 168 C 12 S -1.904444 -3.117521 4.074853 0.588245 4.255371 169 C 12 X 0.079169 -0.102226 -0.044311 0.084427 -0.189042 170 C 12 Y 0.013656 -0.137978 0.058974 0.075352 0.053714 171 C 12 Z 0.007027 0.022116 0.034508 0.114781 0.043564 172 C 12 X 0.748611 -0.093215 1.174546 0.045348 0.404004 173 C 12 Y 0.741012 -0.732164 0.686851 -1.347032 -0.817832 174 C 12 Z 0.076091 0.976856 -0.930975 2.480655 0.275261 175 C 12 XX 0.175772 -0.119734 -0.033342 0.014997 -0.145357 176 C 12 YY -0.134809 -0.096353 -0.013271 -0.074694 0.058974 177 C 12 ZZ -0.040963 0.216087 0.046613 0.059697 0.086383 178 C 12 XY -0.045002 0.067601 -0.090434 -0.025456 0.022148 179 C 12 XZ -0.052532 0.002036 0.016827 -0.121194 0.020599 180 C 12 YZ 0.032334 0.191749 -0.031397 0.089604 0.030849 181 C 13 S -0.136651 0.115448 0.184199 -0.230728 0.203697 182 C 13 S -0.207710 0.217055 0.327281 -0.412044 0.343885 183 C 13 S 2.411675 -0.495520 -0.821741 1.392406 -2.555302 184 C 13 X -0.095275 0.043077 0.032720 -0.039703 0.029624 185 C 13 Y 0.007619 0.032217 -0.119430 -0.117300 -0.091523 186 C 13 Z -0.029527 0.150943 0.081303 -0.094533 -0.010909 187 C 13 X -0.678292 -0.910900 -1.453498 1.209787 -0.437882 188 C 13 Y 0.247982 0.567031 -0.921997 0.532786 -0.120249 189 C 13 Z 1.011154 1.416570 2.014280 -1.404935 -0.342654 190 C 13 XX -0.008954 0.119705 0.089408 -0.082156 0.040761 191 C 13 YY -0.011651 0.163487 0.046054 -0.001102 -0.043424 192 C 13 ZZ 0.020605 -0.283192 -0.135462 0.083257 0.002663 193 C 13 XY 0.013187 0.042341 -0.007288 -0.018427 -0.021307 194 C 13 XZ -0.000369 -0.091368 -0.057552 0.052030 0.005968 195 C 13 YZ -0.064757 0.010625 -0.026564 -0.135758 -0.064193 196 C 14 S -0.090694 -0.025710 0.429572 0.304645 -0.041254 197 C 14 S -0.131407 -0.026107 0.744378 0.505251 0.017495 198 C 14 S 1.593901 0.737445 -5.342559 -1.974617 2.114594 199 C 14 X 0.068526 -0.042013 -0.035560 0.017144 0.262889 200 C 14 Y -0.068895 0.010498 0.153354 0.025610 0.119237 201 C 14 Z -0.038688 0.014705 -0.085335 -0.066070 -0.031103 202 C 14 X 1.175020 -0.176096 -0.049346 -0.785045 0.334158 203 C 14 Y -1.183924 -0.197612 -0.507386 -0.135140 0.073682 204 C 14 Z -1.452219 -0.836170 -1.459793 -1.072588 -0.559906 205 C 14 XX -0.116655 -0.152026 0.147580 -0.036621 0.223419 206 C 14 YY 0.103586 0.058303 -0.043729 0.067051 -0.130685 207 C 14 ZZ 0.013069 0.093723 -0.103851 -0.030429 -0.092734 208 C 14 XY 0.262745 0.072255 -0.155290 -0.128506 0.181342 209 C 14 XZ 0.005854 0.010501 0.136165 -0.001920 0.006520 210 C 14 YZ 0.221253 0.022036 -0.069843 0.143522 0.034870 211 F 15 S -0.032727 0.013029 0.190345 0.498963 0.269118 212 F 15 S -0.068898 0.027502 0.409076 1.065694 0.571639 213 F 15 S 0.226276 -0.022662 -0.739652 -2.330989 -1.290958 214 F 15 X 0.013697 -0.045487 -0.020538 0.037347 0.002721 215 F 15 Y -0.004211 -0.096391 0.000640 0.004174 -0.003509 216 F 15 Z -0.000467 0.040781 -0.060424 -0.027627 -0.028188 217 F 15 X -0.071240 0.074079 -0.036517 -0.255137 -0.103284 218 F 15 Y -0.003447 0.328359 -0.020150 0.190469 0.070580 219 F 15 Z -0.067444 -0.091642 0.369054 0.472583 0.380343 220 F 15 XX 0.016362 0.021552 -0.040462 -0.009577 -0.029249 221 F 15 YY -0.013820 -0.007619 -0.000874 -0.032711 -0.002403 222 F 15 ZZ -0.002542 -0.013933 0.041336 0.042288 0.031651 223 F 15 XY 0.015616 0.010814 0.019037 -0.030226 -0.017284 224 F 15 XZ 0.000789 -0.033664 -0.022102 -0.031923 -0.033928 225 F 15 YZ 0.012605 0.061197 -0.001570 0.075276 0.001097 226 F 16 S -0.066071 -0.604197 0.300761 -0.366714 0.084397 227 F 16 S -0.137367 -1.297516 0.636200 -0.786064 0.176565 228 F 16 S 0.317391 2.622385 -1.533643 1.715108 -0.434420 229 F 16 X 0.001684 0.003566 0.033910 -0.020853 0.010384 230 F 16 Y -0.008763 0.070499 0.027878 0.006321 -0.003208 231 F 16 Z 0.012989 -0.002173 0.043874 0.024122 0.015539 232 F 16 X -0.016898 0.168318 -0.217579 0.192565 -0.039504 233 F 16 Y -0.133354 -0.695033 0.241079 -0.298384 0.159168 234 F 16 Z 0.032146 0.239458 -0.275877 -0.064573 -0.150948 235 F 16 XX 0.003983 0.081348 -0.025348 -0.026085 -0.030578 236 F 16 YY -0.004755 -0.095313 0.005377 -0.048863 -0.006154 237 F 16 ZZ 0.000772 0.013965 0.019972 0.074947 0.036732 238 F 16 XY 0.014496 0.034597 -0.025196 0.068006 0.010331 239 F 16 XZ 0.005041 -0.041353 0.005553 0.008548 0.002262 240 F 16 YZ 0.016244 0.034996 -0.046538 -0.009209 -0.025308 241 F 17 S 0.549509 0.175996 -0.208046 0.108535 0.258933 242 F 17 S 1.178686 0.372313 -0.439992 0.238172 0.556905 243 F 17 S -2.450084 -0.871538 0.880993 -0.376687 -1.114074 244 F 17 X 0.016091 0.021374 0.030788 -0.018333 0.022378 245 F 17 Y 0.023216 -0.024532 -0.022493 0.033232 0.045663 246 F 17 Z 0.009585 0.008878 -0.039018 -0.044013 0.028870 247 F 17 X -0.157332 -0.100735 -0.094758 0.048054 -0.076490 248 F 17 Y -0.496702 -0.116779 0.268672 -0.168774 -0.288337 249 F 17 Z -0.372935 -0.154706 0.407185 0.154775 -0.158377 250 F 17 XX -0.073488 0.006602 0.075034 0.003867 -0.016236 251 F 17 YY 0.058237 -0.011810 -0.009567 0.061060 0.041811 252 F 17 ZZ 0.015250 0.005207 -0.065467 -0.064927 -0.025576 253 F 17 XY 0.000438 0.036361 0.040296 0.002611 0.009884 254 F 17 XZ 0.003327 -0.009920 -0.006733 0.037831 -0.020651 255 F 17 YZ 0.075562 0.041642 -0.052590 0.001642 0.035548 256 F 18 S -0.071585 0.074434 -0.564466 -0.445153 0.003723 257 F 18 S -0.153120 0.162592 -1.206330 -0.953725 0.003815 258 F 18 S 0.392829 -0.198601 2.596261 1.939004 -0.055006 259 F 18 X -0.000980 -0.040173 -0.071748 0.017893 0.016610 260 F 18 Y -0.047065 0.029234 0.026694 -0.030423 -0.018034 261 F 18 Z -0.040218 -0.017873 0.048946 0.055236 -0.002359 262 F 18 X 0.007693 0.077245 0.318475 0.134215 -0.061932 263 F 18 Y 0.257606 -0.064469 0.163065 0.301447 0.065828 264 F 18 Z 0.108752 0.144862 -0.648179 -0.476195 0.075720 265 F 18 XX -0.032745 -0.016711 0.051876 0.028325 -0.013095 266 F 18 YY -0.008194 -0.004778 0.021680 0.000421 -0.032419 267 F 18 ZZ 0.040939 0.021489 -0.073556 -0.028746 0.045514 268 F 18 XY -0.050152 -0.027882 -0.034249 -0.004566 0.015870 269 F 18 XZ 0.002312 -0.020411 0.027283 0.039127 0.008003 270 F 18 YZ 0.039899 -0.011729 0.046229 0.064333 0.023092 271 C 19 S -0.015621 0.021896 -0.000514 -0.003639 -0.038071 272 C 19 S -0.029266 0.042011 -0.002226 -0.002437 -0.102010 273 C 19 S 0.013742 -0.076412 0.060858 0.286199 0.006688 274 C 19 X -0.016896 0.020405 0.013622 -0.014191 0.092483 275 C 19 Y 0.000454 -0.019262 0.012834 -0.019218 0.186460 276 C 19 Z -0.011716 -0.000184 -0.003902 -0.007952 0.033422 277 C 19 X 0.055231 -0.041259 0.014531 -0.060487 0.001477 278 C 19 Y -0.070489 0.065562 0.012264 -0.091811 0.190717 279 C 19 Z -0.028537 0.011303 -0.022859 -0.029679 0.030305 280 C 19 XX -0.014931 0.040113 -0.003909 0.008261 -0.119353 281 C 19 YY 0.012963 -0.026323 0.004960 -0.011929 0.041909 282 C 19 ZZ 0.001967 -0.013790 -0.001051 0.003667 0.077444 283 C 19 XY 0.014279 -0.001666 -0.030075 0.027077 -0.237085 284 C 19 XZ 0.011983 -0.001733 -0.000504 0.008249 -0.045699 285 C 19 YZ -0.003742 -0.003329 -0.009202 -0.003181 -0.003823 286 H 20 S -0.001509 -0.006459 -0.013367 -0.007823 0.060011 287 H 20 S -0.011333 0.012918 -0.028568 0.008915 -0.038515 288 H 20 X -0.025311 0.029851 0.013364 -0.003137 -0.004728 289 H 20 Y -0.018199 0.008560 0.010686 -0.016381 0.098963 290 H 20 Z -0.005045 0.002847 0.004529 -0.002236 0.014113 291 H 21 S -0.014455 0.015856 -0.013330 -0.012611 -0.055327 292 H 21 S -0.008573 0.002137 -0.017672 -0.010659 -0.038310 293 H 21 X -0.002844 0.013035 -0.006088 -0.004069 0.011422 294 H 21 Y 0.021489 -0.012888 -0.001790 0.006717 -0.015981 295 H 21 Z 0.003670 0.001608 -0.014116 -0.001105 -0.069635 296 C 22 S 0.034543 -0.008436 -0.010537 -0.014990 0.014547 297 C 22 S 0.077152 -0.014452 -0.015972 -0.042997 0.022605 298 C 22 S -0.109397 0.122476 0.589285 -0.411255 -0.324970 299 C 22 X -0.039536 0.015861 -0.001758 -0.008603 -0.012317 300 C 22 Y 0.061351 0.001829 0.031264 -0.069313 -0.038824 301 C 22 Z 0.001594 -0.010406 -0.006133 -0.009427 -0.007413 302 C 22 X -0.122229 -0.009280 0.022555 0.135737 0.052072 303 C 22 Y -0.067267 0.035693 0.241254 -0.068737 -0.142289 304 C 22 Z -0.004744 -0.025144 -0.013719 -0.019166 -0.005146 305 C 22 XX -0.114026 0.001789 0.017063 0.039693 -0.036094 306 C 22 YY 0.117143 -0.030065 -0.022009 0.005159 0.051948 307 C 22 ZZ -0.003117 0.028276 0.004946 -0.044852 -0.015855 308 C 22 XY 0.022325 -0.009548 -0.050292 0.053202 0.079531 309 C 22 XZ 0.011018 -0.017448 -0.011366 -0.016444 0.002216 310 C 22 YZ -0.000103 0.016149 0.006108 0.025075 -0.012040 311 H 23 S -0.041620 0.016079 0.028885 -0.021313 -0.040743 312 H 23 S -0.023456 -0.008284 0.051421 0.036445 -0.029215 313 H 23 X -0.062929 0.013042 0.022211 0.004201 -0.042940 314 H 23 Y 0.026631 0.006063 0.007206 -0.040793 -0.025983 315 H 23 Z 0.002108 0.008468 0.004034 0.004133 -0.006686 316 H 24 S 0.034462 -0.009968 -0.021109 0.059392 0.040039 317 H 24 S 0.039633 0.004992 0.007308 -0.001866 0.000856 318 H 24 X 0.026064 -0.001770 -0.022144 -0.039710 -0.004143 319 H 24 Y 0.000273 -0.009175 0.028890 -0.012829 -0.001703 320 H 24 Z -0.045649 0.003061 0.020893 -0.020804 -0.023990 321 H 25 S 0.041935 -0.050839 -0.040260 0.029399 0.039630 322 H 25 S 0.001307 -0.013537 -0.038078 0.005024 -0.008020 323 H 25 X 0.038068 0.016744 -0.007548 -0.028782 -0.000569 324 H 25 Y -0.021543 0.003273 0.027308 0.004230 -0.019566 325 H 25 Z 0.038424 -0.021493 -0.030986 0.009641 0.018089 326 C 26 S 0.086338 -0.089802 0.017259 0.013760 -0.046963 327 C 26 S 0.144913 -0.162260 0.023503 0.026474 -0.075294 328 C 26 S -0.593071 0.328644 -0.032930 -0.352835 0.648304 329 C 26 X -0.167492 0.090782 -0.031832 -0.076948 0.127499 330 C 26 Y 0.171012 -0.050444 0.082105 -0.007223 -0.049246 331 C 26 Z -0.066855 -0.000664 -0.014072 -0.030270 0.041666 332 C 26 X -0.046185 0.100786 0.069435 -0.081830 0.288055 333 C 26 Y -0.037154 0.110770 -0.013083 -0.032227 0.067140 334 C 26 Z -0.234590 0.217055 0.037844 -0.192941 0.264714 335 C 26 XX -0.197941 0.021822 -0.113105 -0.043924 0.085928 336 C 26 YY 0.172331 -0.060732 0.066752 0.038805 -0.104110 337 C 26 ZZ 0.025610 0.038910 0.046353 0.005119 0.018182 338 C 26 XY 0.087662 -0.093387 -0.026770 0.079900 -0.158897 339 C 26 XZ 0.119783 -0.084520 0.009584 0.073762 -0.195360 340 C 26 YZ -0.335283 0.103569 -0.131698 -0.003124 0.131603 341 H 27 S 0.039856 0.068296 0.099902 -0.039241 0.153514 342 H 27 S 0.023271 0.092564 0.093988 -0.121543 0.141080 343 H 27 X -0.019152 0.026403 0.011669 -0.071351 0.066276 344 H 27 Y 0.041258 0.037260 0.081842 -0.072323 0.086775 345 H 27 Z -0.013371 0.007501 0.033077 0.005216 0.020296 346 H 28 S -0.218059 0.010920 -0.097674 0.002270 0.074944 347 H 28 S -0.014856 0.024320 0.008050 -0.000719 0.029837 348 H 28 X -0.090276 -0.001774 -0.044049 -0.016707 -0.014586 349 H 28 Y 0.235985 -0.085680 0.086170 0.028362 -0.092212 350 H 28 Z -0.024751 -0.018143 -0.022947 0.022132 0.005004 351 H 29 S 0.290499 -0.121871 0.064131 0.108180 -0.296718 352 H 29 S 0.017916 0.009943 -0.003814 0.023768 -0.104507 353 H 29 X -0.209282 0.084414 -0.057366 -0.055628 0.161816 354 H 29 Y 0.072372 -0.037591 0.024543 0.020336 -0.079673 355 H 29 Z 0.044439 0.000522 0.028080 0.014590 -0.010309 356 C 30 S 0.062306 0.001885 0.054606 -0.008902 0.045514 357 C 30 S 0.121050 -0.000615 0.096852 -0.008329 0.094755 358 C 30 S -0.139704 -0.110060 -0.121041 -0.112453 0.234826 359 C 30 X 0.092269 -0.111205 0.025534 -0.035720 -0.073760 360 C 30 Y -0.385369 0.191266 -0.155575 0.181472 0.002883 361 C 30 Z 0.092932 -0.038590 -0.008947 0.029287 -0.085781 362 C 30 X 0.134190 -0.187614 0.152311 -0.009666 -0.081866 363 C 30 Y -0.249657 0.207850 0.026115 0.073372 0.130927 364 C 30 Z 0.226590 -0.005874 0.052641 0.073914 -0.170568 365 C 30 XX -0.365161 0.192149 -0.166006 0.191528 0.009739 366 C 30 YY 0.316769 -0.182613 0.089809 -0.110950 -0.043639 367 C 30 ZZ 0.048392 -0.009536 0.076198 -0.080578 0.033901 368 C 30 XY 0.047865 -0.095646 -0.015427 0.033882 -0.128137 369 C 30 XZ 0.166589 -0.139873 0.046818 -0.079437 0.023273 370 C 30 YZ -0.555670 0.267288 -0.235100 0.186669 0.132612 371 H 31 S -0.607002 0.331111 -0.160851 0.203262 0.079312 372 H 31 S -0.195779 0.139608 -0.002902 0.045532 0.055817 373 H 31 X -0.014193 0.018807 -0.047728 0.032603 -0.050293 374 H 31 Y -0.458110 0.215574 -0.184316 0.159139 0.057174 375 H 31 Z 0.181382 -0.127786 0.014784 -0.069444 0.021060 376 H 32 S 0.415111 -0.257513 0.201560 -0.162217 -0.104330 377 H 32 S 0.086420 -0.155899 0.093159 -0.085795 -0.016324 378 H 32 X 0.251520 -0.201073 0.105036 -0.158047 -0.074932 379 H 32 Y -0.167506 0.140351 -0.113676 0.105954 -0.001019 380 H 32 Z -0.030018 -0.006697 -0.041345 0.032118 -0.009361 381 H 33 S 0.159964 -0.003375 0.073676 -0.134334 0.047992 382 H 33 S -0.036868 0.035562 -0.081160 -0.036213 0.050671 383 H 33 X -0.104201 0.010991 -0.069566 0.080119 -0.020261 384 H 33 Y -0.049901 -0.003419 -0.020551 0.049762 0.006611 385 H 33 Z -0.018416 0.006447 -0.000384 0.050255 -0.093076 386 H 34 S 0.007138 0.011064 0.007013 -0.006797 -0.077375 387 H 34 S 0.032312 -0.002372 0.008638 0.018670 -0.047863 388 H 34 X -0.005551 0.014985 -0.001933 -0.004782 0.003937 389 H 34 Y 0.001652 -0.007742 -0.013720 0.000362 -0.023142 390 H 34 Z -0.016891 -0.002981 0.002167 -0.008103 0.079046 391 F 35 S 0.375643 0.267741 0.267228 -0.178107 -0.129709 392 F 35 S 0.811135 0.575665 0.571118 -0.381599 -0.276480 393 F 35 S -1.660153 -1.190275 -1.322767 0.855905 0.604163 394 F 35 X 0.041138 0.015612 -0.014288 0.010264 -0.027542 395 F 35 Y 0.007006 0.004330 0.010914 0.043069 0.010442 396 F 35 Z -0.031133 0.055697 0.034665 -0.021450 0.000965 397 F 35 X -0.389111 -0.284839 -0.201567 0.119255 0.209663 398 F 35 Y -0.064983 -0.077166 0.004545 -0.134742 -0.024245 399 F 35 Z 0.142972 -0.167905 -0.126694 0.095247 -0.027452 400 F 35 XX 0.048904 0.062455 0.043556 -0.044551 -0.016802 401 F 35 YY -0.027316 -0.021549 -0.018118 0.001060 0.013186 402 F 35 ZZ -0.021587 -0.040906 -0.025438 0.043491 0.003616 403 F 35 XY -0.006309 -0.003426 0.043808 0.052784 0.024652 404 F 35 XZ -0.028136 0.031062 0.031401 -0.022388 0.000496 405 F 35 YZ -0.000893 -0.000755 0.052524 0.047235 0.026226 406 F 36 S 0.126038 -0.493060 -0.454127 0.374713 -0.072786 407 F 36 S 0.273770 -1.058913 -0.969474 0.798575 -0.152373 408 F 36 S -0.400393 2.105094 2.144184 -1.779909 0.396542 409 F 36 X 0.007512 -0.041371 -0.004640 0.005822 0.006537 410 F 36 Y -0.046967 -0.045752 -0.011932 -0.076192 -0.023698 411 F 36 Z 0.035271 -0.030562 -0.017972 0.012899 -0.013176 412 F 36 X 0.041983 0.200658 0.130554 -0.116433 -0.009895 413 F 36 Y 0.124708 0.065950 0.009715 0.197036 0.052646 414 F 36 Z -0.233776 0.566324 0.474221 -0.405721 0.155391 415 F 36 XX -0.017610 0.074644 0.039538 -0.024115 -0.009484 416 F 36 YY -0.018065 0.018890 0.015509 -0.028507 0.021653 417 F 36 ZZ 0.035675 -0.093534 -0.055047 0.052623 -0.012170 418 F 36 XY -0.041205 -0.055627 0.047446 -0.027488 -0.019749 419 F 36 XZ -0.022388 -0.056859 -0.045433 0.031660 0.014418 420 F 36 YZ -0.020444 -0.018094 0.034243 0.011338 0.013265 421 C 37 S -0.110188 0.145037 -0.007688 0.033225 0.047341 422 C 37 S -0.163653 0.252559 -0.024818 0.076965 -0.035457 423 C 37 S 1.803791 -1.686720 -0.622554 -0.047484 -3.869711 424 C 37 X -0.015181 0.043132 -0.024697 0.055960 -0.331339 425 C 37 Y -0.053375 0.042537 -0.008742 -0.031233 0.088711 426 C 37 Z -0.011511 0.011100 0.000090 0.005178 0.027606 427 C 37 X -0.977215 1.109467 -0.001695 0.137374 1.250085 428 C 37 Y 0.258523 -0.010782 0.192438 0.018931 0.260444 429 C 37 Z 0.133811 -0.017537 0.076811 -0.000692 0.042925 430 C 37 XX 0.059124 0.069524 -0.053522 0.160975 -0.890133 431 C 37 YY 0.109050 -0.168827 0.015226 -0.114841 0.420229 432 C 37 ZZ -0.168174 0.099304 0.038296 -0.046133 0.469904 433 C 37 XY 0.074023 -0.051129 0.093312 -0.070847 0.473558 434 C 37 XZ 0.022344 -0.007418 0.013679 -0.005867 0.015683 435 C 37 YZ 0.042671 -0.042438 0.001117 0.006887 -0.042747 436 S 38 S -0.007773 0.000898 -0.001061 0.000755 0.011032 437 S 38 S -0.061426 0.006774 -0.008070 0.001158 0.085091 438 S 38 S -0.097987 0.010491 -0.011054 -0.014131 0.127910 439 S 38 S 0.717862 -0.533091 0.211580 -0.181162 -0.560228 440 S 38 X 0.014960 0.005147 0.000310 0.004424 -0.002533 441 S 38 Y 0.012820 0.005258 -0.000694 0.011200 -0.012403 442 S 38 Z 0.000544 -0.003930 -0.000164 0.002250 -0.000688 443 S 38 X 0.051594 0.014012 0.000408 0.008537 0.005869 444 S 38 Y 0.068482 0.004905 0.003880 0.041088 -0.045632 445 S 38 Z 0.003046 -0.017313 -0.000321 0.009741 -0.003143 446 S 38 X 0.068669 -0.168236 0.147462 -0.080792 -0.099321 447 S 38 Y -0.248419 0.126037 -0.014756 0.050378 0.195123 448 S 38 Z -0.053333 -0.024592 -0.012939 -0.075060 0.004040 449 S 38 XX 0.082274 -0.041364 0.027446 -0.004233 -0.023868 450 S 38 YY -0.124025 0.059238 -0.036790 -0.015715 0.053063 451 S 38 ZZ 0.041751 -0.017875 0.009343 0.019947 -0.029195 452 S 38 XY -0.017090 0.019663 -0.009216 -0.004174 0.025664 453 S 38 XZ -0.006184 -0.002279 -0.003880 -0.005357 0.011112 454 S 38 YZ 0.008645 0.021128 0.005551 0.016421 0.017066 455 S 38 XX 0.011413 -0.004889 0.002734 0.003186 -0.004676 456 S 38 YY -0.015442 0.012076 -0.006246 -0.001218 0.000869 457 S 38 ZZ 0.004028 -0.007187 0.003512 -0.001968 0.003807 458 S 38 XY 0.004674 0.009112 0.000557 0.005500 0.006076 459 S 38 XZ -0.003202 -0.001709 -0.002245 -0.001353 0.004774 460 S 38 YZ 0.004642 0.007512 0.002370 0.007703 0.006896 461 H 39 S -0.032334 -0.088196 0.129064 -0.168388 0.985115 462 H 39 S 0.195745 -0.272863 0.077030 -0.047612 -0.015740 463 H 39 X 0.093417 -0.000353 -0.075203 0.114179 -0.769877 464 H 39 Y 0.015300 -0.083469 -0.016406 -0.031421 0.029014 465 H 39 Z -0.015505 -0.020140 -0.014029 0.002715 0.007500 396 397 398 399 400 3.2017 3.2292 3.3150 3.9487 3.9515 A A A A A 1 C 1 S -0.009240 -0.054328 -0.217257 -0.000684 -0.006954 2 C 1 S -0.007484 -0.123619 -0.370049 -0.001216 -0.011539 3 C 1 S 0.044210 -0.145851 1.994597 0.079089 0.009727 4 C 1 X -0.020679 0.086007 0.178910 -0.003443 0.000455 5 C 1 Y -0.027618 -0.051822 0.082908 0.002092 -0.003779 6 C 1 Z -0.003137 -0.016441 -0.011695 -0.000442 -0.000046 7 C 1 X 0.100961 0.070132 -0.747494 -0.044198 -0.041549 8 C 1 Y 0.480295 -0.163329 0.475375 -0.025439 0.091395 9 C 1 Z 0.038726 -0.037273 0.072834 0.005806 0.002685 10 C 1 XX 0.022798 -0.033119 -0.096320 0.002490 0.005729 11 C 1 YY 0.020720 -0.016414 0.337514 -0.002780 0.002676 12 C 1 ZZ -0.043519 0.049532 -0.241193 0.000290 -0.008405 13 C 1 XY -0.084022 0.350511 -0.760175 0.002246 -0.006947 14 C 1 XZ -0.017962 0.052254 -0.048304 -0.000435 0.000103 15 C 1 YZ 0.025865 -0.044534 0.107792 0.000012 0.000448 16 C 2 S 0.004075 -0.111464 -0.098786 0.004630 -0.004810 17 C 2 S -0.013031 -0.192965 -0.347184 0.008878 -0.011148 18 C 2 S -1.094137 0.678660 -2.653293 -0.150901 0.121871 19 C 2 X 0.002146 0.019397 0.359399 0.001309 -0.002556 20 C 2 Y -0.002132 -0.441257 0.277036 0.002006 -0.000730 21 C 2 Z -0.002587 -0.022496 -0.000624 0.000906 0.000822 22 C 2 X 0.420466 -0.108115 -0.399139 -0.081071 0.042684 23 C 2 Y -0.695248 0.117196 -0.175199 -0.017281 0.048725 24 C 2 Z -0.059763 0.038735 0.047384 0.000442 0.015290 25 C 2 XX -0.071848 0.407921 -0.035748 -0.003961 -0.004538 26 C 2 YY 0.003716 -0.222423 -0.546022 0.004295 -0.003057 27 C 2 ZZ 0.068132 -0.185498 0.581770 -0.000333 0.007595 28 C 2 XY -0.083684 0.538246 -1.597163 0.002832 -0.000250 29 C 2 XZ 0.000527 0.045161 -0.047561 0.001560 0.001004 30 C 2 YZ -0.011433 -0.012660 -0.036220 0.002097 0.002843 31 C 3 S -0.098269 0.047990 -0.241213 0.008056 -0.034277 32 C 3 S -0.166903 0.065705 -0.364538 0.011702 -0.058093 33 C 3 S 1.596413 -1.672345 5.594375 -0.344227 0.852593 34 C 3 X 0.126241 0.218829 -0.165619 0.006999 -0.008401 35 C 3 Y 0.060391 -0.205716 0.151800 -0.002757 -0.000819 36 C 3 Z -0.006665 0.008676 -0.036431 0.004599 -0.001019 37 C 3 X -0.542846 0.103847 -1.385228 0.225179 -0.513555 38 C 3 Y -0.993502 -0.734101 1.359961 -0.216362 0.439576 39 C 3 Z -0.029151 -0.125177 -0.079057 -0.001707 -0.029144 40 C 3 XX 0.060390 -0.824007 0.597602 -0.004702 0.021077 41 C 3 YY 0.029529 0.748674 -0.144172 -0.004904 0.005494 42 C 3 ZZ -0.089920 0.075333 -0.453430 0.009605 -0.026571 43 C 3 XY 0.022078 -0.228470 -1.226601 0.014969 -0.024061 44 C 3 XZ 0.056810 -0.174102 -0.018920 -0.007680 0.004766 45 C 3 YZ -0.013662 -0.012403 -0.027148 0.002147 0.002368 46 C 4 S -0.009891 -0.141640 0.099703 -0.009453 -0.002404 47 C 4 S -0.000188 -0.204782 0.210679 -0.016625 -0.004751 48 C 4 S 0.858822 2.423994 -1.001818 0.144572 -0.003968 49 C 4 X 0.020647 -0.055930 -0.062029 -0.000232 0.005312 50 C 4 Y 0.038849 -0.092827 -0.063012 -0.000335 0.005787 51 C 4 Z -0.040759 -0.096229 -0.036098 -0.004416 0.000760 52 C 4 X -0.047223 -0.752688 0.129517 -0.061923 0.072979 53 C 4 Y 0.487505 0.646701 -0.005277 0.106754 -0.082373 54 C 4 Z -0.158406 -0.018659 0.699405 0.004922 0.025185 55 C 4 XX -0.172746 -0.246620 0.224537 0.001304 -0.008153 56 C 4 YY -0.103143 0.240721 -0.307470 -0.000183 0.005134 57 C 4 ZZ 0.275889 0.005900 0.082934 -0.001121 0.003019 58 C 4 XY -0.088959 0.332707 0.016767 0.002422 -0.002893 59 C 4 XZ -0.019293 -0.035909 0.044988 0.001816 -0.003695 60 C 4 YZ -0.185052 -0.044129 -0.016483 -0.003325 0.000253 61 S 5 S 0.005762 -0.001312 0.007135 0.000151 0.000189 62 S 5 S 0.041464 -0.011294 0.056812 0.001144 0.001180 63 S 5 S 0.051461 -0.019918 0.091975 0.001576 0.000987 64 S 5 S -0.263487 0.145488 -0.123601 0.029314 -0.049942 65 S 5 X -0.002176 -0.001728 -0.013242 -0.000842 0.001424 66 S 5 Y 0.002325 0.010028 0.010363 0.000599 0.000405 67 S 5 Z 0.002703 0.003206 -0.001251 0.000431 -0.000825 68 S 5 X -0.011162 -0.009065 -0.044196 -0.002488 0.004226 69 S 5 Y 0.004362 0.053849 0.006692 0.001882 0.001051 70 S 5 Z 0.012013 0.022684 -0.009394 0.001565 -0.003137 71 S 5 X 0.097422 -0.036938 0.097096 -0.005697 0.016110 72 S 5 Y 0.101917 0.024744 -0.011850 -0.009585 -0.008107 73 S 5 Z 0.005485 0.084385 -0.032299 0.004089 -0.007507 74 S 5 XX 0.012520 0.016868 -0.030539 -0.000685 0.001732 75 S 5 YY -0.022950 -0.045281 0.068580 0.000159 -0.001280 76 S 5 ZZ 0.010430 0.028414 -0.038040 0.000526 -0.000451 77 S 5 XY -0.012011 -0.053639 -0.012123 0.000304 -0.000545 78 S 5 XZ -0.014335 -0.043008 0.014165 -0.001073 0.002260 79 S 5 YZ 0.010412 0.042108 -0.005446 0.000770 -0.001558 80 S 5 XX 0.003485 0.000954 -0.018338 -0.000786 0.001896 81 S 5 YY -0.009519 -0.009348 0.022278 0.000142 -0.000854 82 S 5 ZZ 0.006035 0.008393 -0.003939 0.000644 -0.001043 83 S 5 XY -0.001012 -0.006477 -0.005424 0.000677 -0.000310 84 S 5 XZ -0.005152 -0.017516 0.008772 -0.000987 0.002254 85 S 5 YZ 0.004248 0.019700 -0.004911 0.000757 -0.001486 86 H 6 S 0.139935 -0.511977 1.503327 -0.006320 0.008266 87 H 6 S -0.008655 -0.140490 0.240082 -0.013190 0.020399 88 H 6 X -0.004250 -0.114585 0.777593 0.003359 0.002465 89 H 6 Y 0.109774 -0.379618 0.737415 -0.002026 0.002606 90 H 6 Z 0.006824 -0.011983 0.014620 0.000649 -0.001145 91 C 7 S 0.186538 -0.002463 -0.049042 -0.009801 -0.023018 92 C 7 S 0.351371 0.053407 -0.083404 -0.014220 -0.041378 93 C 7 S -2.481226 3.192308 0.248870 0.453827 0.265193 94 C 7 X 0.065269 -0.235119 0.023255 -0.013031 0.001204 95 C 7 Y -0.018169 -0.048075 0.030182 -0.007426 0.006282 96 C 7 Z -0.041531 0.068447 0.006975 -0.000372 0.000734 97 C 7 X 0.781709 1.218568 0.929226 -0.033503 -0.068225 98 C 7 Y 1.797787 -2.633030 -0.298407 -0.261910 -0.148703 99 C 7 Z 0.100574 -0.242094 -0.314925 0.028475 0.000838 100 C 7 XX 0.439862 0.629270 0.110460 0.004933 0.015379 101 C 7 YY -0.508793 -0.485199 -0.061220 0.008234 -0.003317 102 C 7 ZZ 0.068931 -0.144071 -0.049240 -0.013167 -0.012063 103 C 7 XY -0.082336 0.060544 -0.030722 0.010902 -0.002130 104 C 7 XZ -0.018573 -0.188054 -0.014890 -0.002445 -0.004735 105 C 7 YZ -0.014303 -0.048510 0.008246 -0.002307 -0.002996 106 C 8 S 0.146624 0.070713 0.046990 0.001274 0.001353 107 C 8 S 0.243492 0.107138 0.079317 0.002236 0.002505 108 C 8 S -1.463921 -1.671607 -0.838263 -0.057788 -0.034529 109 C 8 X 0.092398 0.020345 0.016738 -0.002284 0.000003 110 C 8 Y -0.069215 0.029511 -0.002134 0.002932 0.000848 111 C 8 Z -0.001449 0.020810 0.007752 0.000798 0.000779 112 C 8 X 0.011281 0.016181 -0.036834 0.013693 0.000703 113 C 8 Y 0.833740 0.615774 0.323974 0.011273 -0.004467 114 C 8 Z 0.089744 0.059172 -0.002348 0.001662 -0.003249 115 C 8 XX 0.263855 0.198029 0.023388 0.000820 -0.001126 116 C 8 YY -0.465632 -0.313585 -0.071930 -0.001316 0.000554 117 C 8 ZZ 0.201778 0.115557 0.048542 0.000496 0.000571 118 C 8 XY -0.472282 -0.262917 -0.087776 0.002553 -0.000070 119 C 8 XZ -0.046484 -0.000494 -0.007644 -0.000346 0.000161 120 C 8 YZ -0.111206 -0.088757 -0.015459 -0.000387 0.000283 121 C 9 S 0.145998 0.296125 0.056339 0.013690 0.001768 122 C 9 S 0.261863 0.507624 0.105370 0.023713 0.001816 123 C 9 S -0.860240 -4.645899 -0.682152 -0.270396 -0.026653 124 C 9 X 0.060724 0.170420 0.033609 0.004096 0.005230 125 C 9 Y -0.020674 -0.015757 -0.048797 0.001541 -0.005275 126 C 9 Z -0.017085 -0.026932 0.028837 0.002732 -0.000546 127 C 9 X 0.106354 0.768505 0.347446 0.061701 0.036114 128 C 9 Y 0.027527 -0.877159 -1.149735 -0.020292 -0.013008 129 C 9 Z -0.490265 -1.643399 -0.279026 -0.150049 0.002970 130 C 9 XX 0.368449 0.210624 -0.042680 -0.004566 -0.002570 131 C 9 YY -0.572298 -0.294812 -0.162144 0.001965 -0.002965 132 C 9 ZZ 0.203850 0.084188 0.204824 0.002601 0.005536 133 C 9 XY 0.256887 0.377434 -0.054666 0.002925 0.002792 134 C 9 XZ 0.055802 -0.025886 0.056862 0.003922 0.003893 135 C 9 YZ -0.151526 -0.055106 -0.141849 0.002083 -0.003673 136 C 10 S -0.071651 0.026456 -0.120027 0.014839 -0.007773 137 C 10 S -0.135367 -0.014201 -0.236632 0.021463 -0.009495 138 C 10 S 0.735588 -2.738107 0.805863 -0.469698 0.075600 139 C 10 X 0.005434 -0.137084 -0.044168 0.013657 -0.018739 140 C 10 Y -0.066785 0.099806 0.137748 -0.002463 0.012212 141 C 10 Z 0.019666 0.010115 -0.005901 0.004381 0.001238 142 C 10 X 3.315522 -2.907211 0.168223 -0.367588 -0.170700 143 C 10 Y -0.518542 2.968308 0.751424 0.070959 -0.102062 144 C 10 Z -0.751696 0.598581 0.328834 0.031154 0.051629 145 C 10 XX 0.319676 0.454501 0.193277 -0.020256 0.020644 146 C 10 YY -0.274827 -0.678044 -0.176279 0.000085 -0.003445 147 C 10 ZZ -0.044849 0.223543 -0.016998 0.020172 -0.017199 148 C 10 XY -0.107639 -0.871741 -0.061045 -0.011393 -0.023266 149 C 10 XZ -0.007589 -0.113568 -0.054924 0.009430 -0.012762 150 C 10 YZ 0.062240 0.036713 0.003543 0.006704 0.000409 151 C 11 S 0.227242 -0.171893 -0.213949 -0.023924 0.016492 152 C 11 S 0.395963 -0.227283 -0.468487 -0.035889 0.028229 153 C 11 S -3.652887 6.085107 -1.943524 0.723748 -0.637300 154 C 11 X -0.004521 0.105260 -0.478257 -0.014507 -0.006759 155 C 11 Y 0.094868 0.052429 0.320137 -0.011285 -0.007666 156 C 11 Z 0.036615 -0.008385 -0.034153 0.000371 -0.006442 157 C 11 X 0.954245 -0.794576 -3.574294 0.218013 -0.790327 158 C 11 Y 0.728225 1.610584 0.855722 0.033312 0.150842 159 C 11 Z 0.153428 -0.041356 -0.264945 0.003897 -0.014890 160 C 11 XX -0.099261 -0.304156 -0.606037 0.029806 -0.015914 161 C 11 YY -0.070215 0.615692 0.485666 0.000374 0.005030 162 C 11 ZZ 0.169476 -0.311536 0.120371 -0.030180 0.010883 163 C 11 XY -0.382729 -0.816338 0.226872 0.006084 0.029268 164 C 11 XZ 0.046828 -0.088770 -0.098465 -0.007119 -0.011280 165 C 11 YZ -0.009412 0.044648 0.040552 0.005598 -0.000242 166 C 12 S -0.522306 0.260205 0.157508 0.012678 0.040652 167 C 12 S -0.918147 0.388802 0.257039 0.024467 0.069982 168 C 12 S 6.343238 -4.994240 -1.780665 -0.238739 -0.437227 169 C 12 X -0.204519 -0.151429 -0.037887 -0.010337 -0.000299 170 C 12 Y 0.038878 0.008669 0.006214 -0.011675 0.004576 171 C 12 Z 0.002907 0.052011 0.014480 0.011685 -0.010477 172 C 12 X 0.527489 -0.843691 -0.161522 0.035241 -0.133935 173 C 12 Y -1.117409 0.499389 0.627851 0.025116 0.182240 174 C 12 Z -0.180139 0.165739 -0.380088 -0.029030 0.044215 175 C 12 XX -0.047112 -0.269884 -0.046560 0.017434 -0.028460 176 C 12 YY -0.008587 0.234069 0.042483 0.005046 0.001755 177 C 12 ZZ 0.055699 0.035815 0.004077 -0.022480 0.026705 178 C 12 XY 0.109645 -0.111775 -0.002558 -0.018775 0.020547 179 C 12 XZ 0.032565 0.018972 0.014809 0.004982 -0.005883 180 C 12 YZ 0.026263 -0.027122 -0.030128 -0.003535 -0.002847 181 C 13 S 0.459333 -0.389701 -0.122382 -0.012159 -0.023287 182 C 13 S 0.770321 -0.654955 -0.201914 -0.020847 -0.040359 183 C 13 S -5.766540 4.905606 1.875968 0.159377 0.401786 184 C 13 X 0.048297 -0.029980 -0.020150 -0.000030 -0.009828 185 C 13 Y -0.013217 -0.060160 -0.001721 0.000158 -0.000730 186 C 13 Z -0.012514 0.005514 0.009112 0.000921 0.012707 187 C 13 X -1.079023 0.985402 0.119003 0.048392 0.022146 188 C 13 Y 0.068458 -0.331229 -0.325107 0.005635 -0.016852 189 C 13 Z -0.557415 0.441770 0.565119 0.021337 0.046615 190 C 13 XX 0.133336 -0.085631 -0.061316 0.002338 -0.022108 191 C 13 YY -0.140535 0.096233 0.090701 -0.000331 0.013801 192 C 13 ZZ 0.007199 -0.010602 -0.029385 -0.002007 0.008306 193 C 13 XY 0.022997 -0.046704 -0.008359 -0.019396 0.004269 194 C 13 XZ 0.002854 -0.007490 -0.010670 -0.001985 -0.002875 195 C 13 YZ -0.033843 0.015937 0.010887 0.014641 -0.005267 196 C 14 S -0.421839 0.501363 0.204991 0.014789 0.046644 197 C 14 S -0.686263 0.900193 0.366807 0.021768 0.084449 198 C 14 S 5.921294 -5.219815 -3.106539 -0.159440 -0.623672 199 C 14 X 0.036524 0.230767 0.069603 0.010609 -0.003837 200 C 14 Y 0.012215 0.066108 0.050586 -0.011243 -0.001209 201 C 14 Z -0.023563 0.009722 0.007622 -0.017627 0.000482 202 C 14 X 0.356447 0.127679 -0.063159 -0.120112 -0.081563 203 C 14 Y 0.976978 -1.342860 -0.478072 -0.092454 -0.190904 204 C 14 Z -0.509466 0.408497 0.214260 0.060761 -0.009662 205 C 14 XX 0.160207 0.167019 -0.018683 -0.027175 -0.002903 206 C 14 YY -0.109264 -0.125073 0.057440 -0.005721 0.001135 207 C 14 ZZ -0.050943 -0.041945 -0.038757 0.032896 0.001768 208 C 14 XY -0.030791 0.079406 0.120474 -0.019808 -0.013622 209 C 14 XZ 0.037713 -0.035127 -0.011488 -0.014920 -0.003698 210 C 14 YZ -0.006358 -0.012071 -0.038817 -0.018725 0.001882 211 F 15 S 0.261784 -0.161394 -0.121910 -0.015466 -0.000524 212 F 15 S 0.551707 -0.336340 -0.254124 -0.031819 -0.000912 213 F 15 S -1.319701 0.847179 0.652693 0.083483 0.010960 214 F 15 X 0.005448 -0.016030 -0.004676 0.004027 -0.010587 215 F 15 Y -0.000051 -0.005450 -0.002578 -0.011958 0.006231 216 F 15 Z -0.027047 0.003523 -0.000066 0.001479 0.001137 217 F 15 X -0.112509 0.117549 0.069810 -0.007100 0.026697 218 F 15 Y 0.053327 -0.006362 -0.045510 0.016161 -0.021448 219 F 15 Z 0.425880 -0.262726 -0.153457 -0.027528 -0.003897 220 F 15 XX -0.025286 0.009625 0.002912 0.000649 -0.054305 221 F 15 YY -0.015791 0.035208 0.014101 -0.027637 0.094244 222 F 15 ZZ 0.041077 -0.044834 -0.017012 0.026988 -0.039939 223 F 15 XY -0.023334 0.034495 0.022798 -0.231573 0.124131 224 F 15 XZ -0.030801 0.015356 0.011094 0.070056 -0.118409 225 F 15 YZ -0.019502 0.019105 -0.004794 -0.155558 0.045195 226 F 16 S 0.216666 -0.185352 -0.006680 -0.002601 0.001924 227 F 16 S 0.459039 -0.400330 -0.015377 -0.004822 0.004533 228 F 16 S -1.034491 0.811009 -0.006214 0.018920 -0.005246 229 F 16 X 0.013992 -0.029991 -0.008970 0.000851 -0.010880 230 F 16 Y -0.035660 0.053498 0.020949 -0.001281 -0.001078 231 F 16 Z 0.023905 -0.050017 -0.008063 0.003947 0.000385 232 F 16 X -0.097557 0.089901 0.002791 -0.009346 0.032089 233 F 16 Y 0.347974 -0.236534 -0.070440 -0.002307 -0.012289 234 F 16 Z -0.172512 0.144329 0.037443 0.002132 -0.006933 235 F 16 XX -0.017568 -0.002341 0.015035 0.029876 0.175170 236 F 16 YY 0.008530 -0.018022 -0.005634 0.074385 -0.125170 237 F 16 ZZ 0.009037 0.020363 -0.009401 -0.104262 -0.050000 238 F 16 XY -0.025074 0.020241 -0.010978 0.012790 -0.039002 239 F 16 XZ -0.002935 0.012243 0.008486 0.206601 -0.288572 240 F 16 YZ -0.015890 -0.003641 0.007576 0.094356 -0.188970 241 F 17 S 0.319225 -0.231641 -0.151442 -0.005770 -0.002052 242 F 17 S 0.679553 -0.486140 -0.318394 -0.012392 -0.003114 243 F 17 S -1.479354 1.140313 0.724880 0.027291 0.022864 244 F 17 X 0.010332 -0.009895 0.011989 -0.003435 -0.007072 245 F 17 Y 0.054400 -0.023494 -0.023010 0.000970 0.000112 246 F 17 Z 0.035728 0.009069 -0.007254 -0.009186 0.002482 247 F 17 X -0.061671 0.056289 0.006253 0.020484 0.017455 248 F 17 Y -0.426264 0.373916 0.222748 0.014136 0.019075 249 F 17 Z -0.256094 0.182601 0.118663 0.011099 0.003617 250 F 17 XX -0.021908 0.028147 0.003561 0.038388 0.173900 251 F 17 YY 0.037114 -0.012387 -0.032863 -0.167497 -0.088360 252 F 17 ZZ -0.015206 -0.015760 0.029302 0.129109 -0.085540 253 F 17 XY 0.021891 -0.011911 -0.018519 0.086650 0.142342 254 F 17 XZ -0.006078 0.003294 -0.031728 -0.267679 -0.222429 255 F 17 YZ 0.030580 -0.031464 -0.016108 0.063719 0.101868 256 F 18 S 0.165461 -0.161152 -0.062593 0.013091 -0.010112 257 F 18 S 0.346512 -0.338795 -0.129260 0.026940 -0.020166 258 F 18 S -0.856855 0.831494 0.357809 -0.067261 0.065616 259 F 18 X 0.009327 0.002637 -0.007054 -0.006494 -0.007686 260 F 18 Y -0.003290 -0.014059 0.014627 -0.016967 0.001132 261 F 18 Z -0.027423 0.026308 0.008594 -0.003947 -0.001586 262 F 18 X -0.105573 0.065041 0.047973 0.016038 0.020825 263 F 18 Y -0.078065 0.143084 -0.001640 0.023587 0.015165 264 F 18 Z 0.310733 -0.291237 -0.133989 0.025802 -0.016295 265 F 18 XX -0.020145 0.022703 -0.006321 0.115571 -0.073816 266 F 18 YY -0.028667 0.005385 0.015893 0.023835 0.100996 267 F 18 ZZ 0.048811 -0.028089 -0.009572 -0.139406 -0.027180 268 F 18 XY 0.024426 -0.011938 -0.000341 -0.206543 -0.072840 269 F 18 XZ -0.015694 0.027196 0.014324 -0.096880 -0.125499 270 F 18 YZ 0.015718 -0.018731 -0.000352 -0.220508 0.071177 271 C 19 S 0.093685 0.021189 0.008514 -0.001308 -0.000487 272 C 19 S 0.214420 0.063022 0.024599 -0.002404 -0.000719 273 C 19 S -0.234275 0.079729 0.038274 0.006706 0.012173 274 C 19 X -0.120724 -0.089143 -0.033864 -0.000180 -0.000498 275 C 19 Y -0.204019 -0.127584 -0.038389 -0.000126 -0.000762 276 C 19 Z -0.028080 -0.007383 -0.004524 -0.000113 -0.000054 277 C 19 X 0.044699 -0.038108 0.003553 -0.001449 -0.002358 278 C 19 Y -0.061415 -0.156423 -0.060085 -0.003523 -0.003956 279 C 19 Z -0.018127 -0.032218 0.025610 -0.004032 0.001098 280 C 19 XX 0.061468 0.034925 -0.014030 0.001396 -0.000114 281 C 19 YY -0.013758 -0.005228 0.015624 -0.000608 0.000233 282 C 19 ZZ -0.047709 -0.029697 -0.001594 -0.000788 -0.000119 283 C 19 XY 0.217333 0.165000 0.040188 0.001191 0.000342 284 C 19 XZ 0.028912 0.010942 0.003293 0.000164 -0.000035 285 C 19 YZ 0.014443 0.025579 0.008042 -0.000321 0.000386 286 H 20 S -0.001807 -0.003155 0.007597 -0.001615 -0.000717 287 H 20 S 0.003922 0.026073 -0.003107 0.000413 -0.000888 288 H 20 X 0.001823 -0.020797 -0.012798 0.000072 0.000200 289 H 20 Y -0.057602 -0.054220 -0.008898 -0.001046 0.000026 290 H 20 Z -0.003800 0.000299 -0.006918 0.000324 -0.000245 291 H 21 S 0.047517 0.022433 0.002885 -0.000757 -0.000149 292 H 21 S 0.028971 0.029789 0.021815 -0.002199 0.000650 293 H 21 X -0.011158 -0.012395 -0.002362 -0.000375 -0.000170 294 H 21 Y 0.016790 0.010387 0.003662 0.000611 -0.000302 295 H 21 Z 0.048086 0.048457 0.006525 0.000362 -0.000025 296 C 22 S 0.000130 0.035971 -0.097767 0.000776 -0.003077 297 C 22 S 0.000326 0.079784 -0.230352 0.001206 -0.005615 298 C 22 S 0.221172 -0.136673 0.098911 -0.021274 0.070090 299 C 22 X 0.030454 -0.056719 0.135345 -0.000619 0.000642 300 C 22 Y -0.009908 0.071271 -0.259551 -0.000860 0.000271 301 C 22 Z -0.005060 0.007673 -0.032379 0.000152 -0.000356 302 C 22 X -0.024200 -0.008678 0.127257 0.009795 -0.010547 303 C 22 Y 0.010727 0.006331 -0.077066 -0.001053 0.020595 304 C 22 Z -0.021848 0.009629 -0.029694 -0.002198 -0.000627 305 C 22 XX 0.033353 -0.120835 0.221700 -0.000571 0.000932 306 C 22 YY -0.084803 0.159966 -0.286858 0.002938 -0.002814 307 C 22 ZZ 0.051449 -0.039131 0.065158 -0.002366 0.001882 308 C 22 XY -0.019802 0.030961 0.064676 0.001774 -0.001213 309 C 22 XZ -0.011089 0.010019 -0.031253 -0.000023 -0.000467 310 C 22 YZ 0.004868 -0.008172 -0.002465 0.000138 -0.000345 311 H 23 S 0.030557 -0.037843 0.027551 -0.000297 -0.001172 312 H 23 S -0.044264 0.027485 -0.032439 0.004764 -0.000557 313 H 23 X 0.029878 -0.061576 0.074951 -0.000291 -0.000186 314 H 23 Y -0.001174 0.009792 -0.045337 -0.001042 0.000906 315 H 23 Z 0.004787 -0.003494 -0.001468 0.000248 0.000226 316 H 24 S -0.033471 0.048930 -0.036828 0.002938 -0.003070 317 H 24 S 0.000091 0.005586 -0.029909 -0.000529 0.001405 318 H 24 X 0.006603 0.008986 -0.036166 -0.001155 -0.000238 319 H 24 Y -0.003904 0.002815 -0.002916 -0.000170 0.001619 320 H 24 Z 0.023964 -0.038921 0.050973 -0.000519 0.001183 321 H 25 S -0.058094 0.056013 -0.079920 0.002243 -0.004482 322 H 25 S -0.014135 0.024122 -0.051886 -0.000123 -0.002935 323 H 25 X 0.014640 0.005794 -0.023447 -0.001300 0.000939 324 H 25 Y 0.009731 -0.012960 0.015795 0.000454 0.000714 325 H 25 Z -0.033441 0.047509 -0.075438 0.000891 -0.001691 326 C 26 S -0.005197 0.064383 0.008285 0.004443 0.001674 327 C 26 S -0.012972 0.116970 0.006119 0.007488 0.002739 328 C 26 S -0.065552 -0.556807 -0.222938 -0.067673 -0.006577 329 C 26 X 0.058995 -0.010544 -0.010071 -0.000818 -0.001316 330 C 26 Y 0.145303 0.081427 -0.007992 0.002136 -0.000292 331 C 26 Z -0.061091 0.007579 -0.052690 -0.000716 -0.000505 332 C 26 X -0.083669 -0.171601 0.000894 -0.012722 0.007360 333 C 26 Y 0.194338 -0.009440 0.013394 -0.011007 -0.006703 334 C 26 Z -0.045142 -0.238263 -0.143244 -0.025213 0.001030 335 C 26 XX -0.096223 -0.105995 0.019930 -0.003226 -0.002827 336 C 26 YY 0.075879 0.074620 0.033067 0.002681 0.001579 337 C 26 ZZ 0.020344 0.031375 -0.052997 0.000545 0.001248 338 C 26 XY -0.204780 -0.050552 0.020145 0.002510 0.000977 339 C 26 XZ -0.038954 0.052439 0.002358 0.002657 0.002327 340 C 26 YZ -0.298282 -0.085894 -0.069231 -0.003829 -0.000815 341 H 27 S 0.212265 0.070314 -0.017066 0.001940 0.001057 342 H 27 S 0.048824 -0.083137 -0.035128 -0.008453 0.003646 343 H 27 X 0.161001 0.004702 -0.025159 0.001052 -0.005291 344 H 27 Y 0.094248 0.013950 0.025076 -0.000508 0.003274 345 H 27 Z -0.015987 0.035481 -0.060408 0.001036 0.001461 346 H 28 S -0.291465 -0.087671 -0.002628 0.000478 0.002928 347 H 28 S -0.117557 -0.051776 -0.011329 0.002738 0.005069 348 H 28 X -0.020753 0.032532 -0.009309 0.000178 -0.000948 349 H 28 Y 0.173136 0.087763 0.026406 0.001982 0.000798 350 H 28 Z -0.063993 -0.023548 0.026815 -0.000130 0.001760 351 H 29 S 0.012172 0.099325 0.001655 0.007886 0.000267 352 H 29 S 0.062838 0.041578 -0.024219 0.001761 -0.003961 353 H 29 X -0.006949 -0.038050 -0.016448 -0.003113 -0.001265 354 H 29 Y -0.004141 0.056728 -0.018145 0.001719 0.001039 355 H 29 Z -0.038686 -0.020501 -0.025680 -0.001067 -0.000474 356 C 30 S -0.017817 -0.039368 0.029796 -0.002642 0.003086 357 C 30 S -0.048561 -0.075355 0.048134 -0.005038 0.005495 358 C 30 S -0.112404 -0.156345 -0.374351 -0.021499 -0.013722 359 C 30 X -0.004671 -0.071990 -0.043039 0.000604 -0.001527 360 C 30 Y -0.050200 0.048887 -0.100421 0.002518 -0.003307 361 C 30 Z 0.077304 0.086991 0.046020 0.004783 0.000231 362 C 30 X 0.061459 -0.072149 0.090466 0.010718 -0.005226 363 C 30 Y -0.052804 0.029849 0.029835 -0.015911 0.021386 364 C 30 Z 0.042466 0.157530 0.177614 0.008994 0.015122 365 C 30 XX -0.005034 0.073498 -0.134396 0.000963 -0.007192 366 C 30 YY 0.030212 -0.002246 0.112343 0.001391 0.004921 367 C 30 ZZ -0.025178 -0.071252 0.022052 -0.002354 0.002271 368 C 30 XY -0.023343 -0.126016 -0.104957 0.002620 -0.004884 369 C 30 XZ -0.038374 -0.072299 -0.041225 -0.000982 -0.000299 370 C 30 YZ -0.199433 0.005082 -0.184712 0.002239 -0.009457 371 H 31 S -0.093134 0.019793 -0.154186 -0.000805 -0.002999 372 H 31 S -0.007731 0.009276 -0.017350 -0.006256 0.008130 373 H 31 X 0.005970 -0.011544 -0.015018 0.000462 -0.002732 374 H 31 Y -0.090286 0.006450 -0.124537 0.001186 -0.007319 375 H 31 Z -0.016209 -0.003139 0.045714 0.000454 -0.001523 376 H 32 S 0.012788 -0.163208 0.063165 0.000851 0.006211 377 H 32 S 0.095413 -0.119572 -0.003916 0.010004 -0.020457 378 H 32 X 0.077130 -0.111412 -0.007498 -0.001776 -0.002751 379 H 32 Y 0.010527 0.048010 -0.040745 -0.000576 -0.003044 380 H 32 Z 0.019325 0.074397 0.009081 0.001624 -0.000615 381 H 33 S 0.056114 0.076131 0.140519 -0.001054 0.005102 382 H 33 S -0.052766 -0.022194 -0.037614 -0.002175 -0.004866 383 H 33 X -0.060810 -0.038803 -0.079075 0.000254 -0.001989 384 H 33 Y -0.027400 -0.024874 -0.076089 0.001826 -0.003301 385 H 33 Z 0.075677 0.019020 -0.005384 0.001676 -0.001302 386 H 34 S 0.053498 0.009569 -0.012694 0.000719 -0.001045 387 H 34 S 0.044324 0.037590 -0.003423 0.002507 -0.000403 388 H 34 X -0.005858 -0.006235 -0.007919 0.000057 -0.000481 389 H 34 Y 0.021599 0.020785 0.008817 -0.000426 -0.000240 390 H 34 Z -0.044742 -0.028187 -0.002236 -0.000839 0.000156 391 F 35 S -0.250507 0.203188 0.130067 0.001734 0.021938 392 F 35 S -0.533012 0.431032 0.275868 0.002879 0.044565 393 F 35 S 1.168148 -0.956279 -0.627577 -0.014667 -0.114561 394 F 35 X -0.059942 0.045687 0.018870 -0.000658 -0.000069 395 F 35 Y 0.005348 0.004093 -0.005042 -0.007668 -0.000003 396 F 35 Z 0.013966 -0.006384 -0.002810 0.007412 0.017305 397 F 35 X 0.417315 -0.348942 -0.172412 -0.008090 -0.026541 398 F 35 Y -0.002500 -0.038758 0.031135 0.017881 -0.003412 399 F 35 Z -0.079129 0.056256 0.005257 -0.011456 -0.018835 400 F 35 XX -0.032252 0.024564 0.021697 -0.009152 -0.052055 401 F 35 YY 0.030574 -0.025396 -0.010140 -0.249508 -0.477884 402 F 35 ZZ 0.001678 0.000832 -0.011557 0.258660 0.529939 403 F 35 XY 0.008559 0.035928 -0.017652 0.122797 0.000115 404 F 35 XZ -0.004260 0.003713 0.014013 0.003434 0.037167 405 F 35 YZ 0.009894 0.010671 0.006545 0.545562 -0.294670 406 F 36 S -0.210253 0.172317 0.005141 0.006039 0.023427 407 F 36 S -0.441106 0.360826 0.010805 0.013254 0.050641 408 F 36 S 1.095549 -0.909134 -0.026129 -0.025773 -0.098488 409 F 36 X 0.006208 -0.004640 0.007748 -0.004663 -0.022603 410 F 36 Y -0.004875 0.003069 0.002759 -0.002584 -0.001961 411 F 36 Z -0.026078 0.020488 0.013628 0.006286 0.014838 412 F 36 X 0.013368 -0.015881 -0.002835 0.005404 0.037278 413 F 36 Y -0.012596 0.014742 0.004953 0.000443 0.007793 414 F 36 Z 0.384026 -0.316831 -0.064039 -0.015798 -0.048630 415 F 36 XX -0.014220 0.011564 0.019227 -0.114383 -0.363430 416 F 36 YY 0.054063 -0.046185 -0.025486 0.095185 0.366527 417 F 36 ZZ -0.039844 0.034622 0.006260 0.019198 -0.003097 418 F 36 XY -0.025028 0.028633 0.017195 -0.417153 0.073195 419 F 36 XZ 0.022967 -0.017067 -0.016672 -0.010519 0.214554 420 F 36 YZ 0.013462 0.001300 -0.004140 0.167597 -0.002496 421 C 37 S 0.058112 -0.066007 -0.022701 -0.004917 -0.002801 422 C 37 S 0.199730 -0.057566 -0.009704 -0.007829 -0.004873 423 C 37 S 1.938852 2.828366 1.269710 0.097604 0.017457 424 C 37 X 0.418807 0.213160 0.042029 0.000041 0.000879 425 C 37 Y -0.034500 -0.019473 -0.062592 -0.001913 -0.001218 426 C 37 Z 0.012134 0.035269 -0.025852 0.002091 -0.000410 427 C 37 X -0.140158 -1.053696 -0.498296 -0.069163 -0.024598 428 C 37 Y 0.378701 0.127008 0.230514 -0.003016 0.014563 429 C 37 Z 0.116830 0.118137 0.012720 0.012875 0.004675 430 C 37 XX 1.034845 0.575117 0.229841 0.004146 0.002038 431 C 37 YY -0.645896 -0.266598 -0.114809 0.003198 -0.000654 432 C 37 ZZ -0.388950 -0.308519 -0.115032 -0.007344 -0.001384 433 C 37 XY -0.549557 -0.359582 -0.045366 0.000141 0.001334 434 C 37 XZ -0.059666 -0.078366 0.035235 -0.003334 0.000895 435 C 37 YZ -0.093309 -0.120783 0.005993 -0.002685 -0.000705 436 S 38 S -0.001350 -0.009256 -0.004837 -0.000755 -0.000719 437 S 38 S -0.003673 -0.057345 -0.033005 -0.005392 -0.005037 438 S 38 S 0.019179 -0.039027 -0.034303 -0.006576 -0.005677 439 S 38 S -0.269664 1.091865 0.231186 0.082944 0.052454 440 S 38 X 0.002864 -0.008567 -0.003453 -0.000195 -0.000026 441 S 38 Y -0.012898 -0.055031 -0.005020 -0.001462 -0.001156 442 S 38 Z -0.000212 0.001004 0.001223 0.000047 -0.000276 443 S 38 X -0.008170 -0.041685 -0.012858 -0.000848 -0.000039 444 S 38 Y -0.091125 -0.212834 -0.023453 -0.004040 -0.003966 445 S 38 Z -0.002888 0.004297 0.003991 0.000131 -0.001118 446 S 38 X -0.038659 -0.022282 0.000424 0.013514 0.010706 447 S 38 Y 0.008232 -0.465909 -0.113517 -0.024789 -0.016559 448 S 38 Z -0.020231 -0.006519 0.026607 -0.006116 0.001802 449 S 38 XX -0.092679 -0.091577 -0.001641 0.002515 0.000727 450 S 38 YY 0.142079 0.139519 0.014522 -0.002835 0.000266 451 S 38 ZZ -0.049400 -0.047942 -0.012881 0.000319 -0.000994 452 S 38 XY -0.041497 0.012715 0.001593 0.000156 -0.001094 453 S 38 XZ -0.013140 0.010437 -0.001366 0.000281 0.000246 454 S 38 YZ 0.006305 -0.006577 -0.009292 0.001551 -0.000106 455 S 38 XX -0.016839 -0.018114 -0.001536 0.001639 0.000935 456 S 38 YY 0.024484 0.017628 0.003246 -0.001856 -0.000155 457 S 38 ZZ -0.007646 0.000486 -0.001710 0.000217 -0.000781 458 S 38 XY -0.024607 -0.007935 -0.004289 0.000465 -0.000687 459 S 38 XZ -0.006331 0.007989 -0.001144 0.000393 0.000420 460 S 38 YZ 0.001757 -0.003384 -0.003780 0.002312 -0.000068 461 H 39 S -1.067054 -0.592673 -0.197541 -0.000698 0.002137 462 H 39 S -0.204993 0.098630 0.067630 0.017421 0.008390 463 H 39 X 0.769177 0.462694 0.161110 0.004313 0.000851 464 H 39 Y -0.153789 -0.018311 -0.042531 0.002102 -0.000643 465 H 39 Z -0.039251 -0.005432 -0.013608 0.000193 -0.000825 401 402 403 404 405 3.9575 3.9597 3.9604 3.9640 3.9841 A A A A A 1 C 1 S 0.008403 0.004151 0.000060 0.010759 0.002596 2 C 1 S 0.013543 0.007040 -0.000201 0.017492 0.004679 3 C 1 S -0.084710 -0.083384 -0.142229 -0.290709 0.245470 4 C 1 X 0.006904 0.003009 0.008526 0.013069 -0.012845 5 C 1 Y 0.001402 -0.000550 -0.003741 -0.004137 0.008220 6 C 1 Z -0.000171 -0.000717 -0.000746 -0.000641 0.001650 7 C 1 X 0.079036 0.069490 0.066499 0.187982 -0.103174 8 C 1 Y -0.079860 -0.008145 0.044595 -0.006362 -0.131873 9 C 1 Z -0.008244 -0.007270 -0.004786 -0.012835 0.002644 10 C 1 XX -0.012963 -0.006883 -0.006013 -0.016322 0.005561 11 C 1 YY 0.001855 0.002244 0.005776 0.004088 -0.008180 12 C 1 ZZ 0.011108 0.004639 0.000237 0.012234 0.002619 13 C 1 XY 0.006386 0.000264 -0.003171 0.003263 0.007704 14 C 1 XZ 0.001860 0.003135 0.001508 0.001748 -0.001432 15 C 1 YZ -0.000205 -0.001200 0.000956 -0.001263 -0.000045 16 C 2 S -0.003960 -0.007279 -0.014147 -0.015063 0.027326 17 C 2 S -0.004826 -0.012657 -0.025720 -0.024713 0.050906 18 C 2 S 0.061230 0.012975 0.289775 0.396443 -0.620887 19 C 2 X 0.003734 0.005883 -0.002441 -0.002320 0.005058 20 C 2 Y -0.000260 -0.007040 -0.003634 0.002206 0.004039 21 C 2 Z -0.002050 0.001078 -0.000502 -0.001716 -0.002045 22 C 2 X -0.023314 0.081834 0.124402 0.187498 -0.240909 23 C 2 Y -0.030265 -0.042199 0.050433 0.003554 -0.125865 24 C 2 Z -0.006914 0.004038 0.003614 -0.033956 0.000971 25 C 2 XX 0.015955 0.008239 0.011078 0.019480 -0.012536 26 C 2 YY -0.004860 0.000814 -0.005551 -0.004806 0.006621 27 C 2 ZZ -0.011095 -0.009053 -0.005526 -0.014674 0.005916 28 C 2 XY -0.008538 -0.000114 -0.005890 -0.011690 0.006703 29 C 2 XZ -0.002128 0.001735 -0.000448 -0.001797 0.000342 30 C 2 YZ -0.000658 0.005949 0.001304 -0.002620 -0.004924 31 C 3 S 0.016194 -0.006952 -0.014619 -0.003201 0.059719 32 C 3 S 0.027308 -0.014148 -0.024016 -0.005277 0.102610 33 C 3 S -0.551876 0.094575 0.469358 -0.085148 -1.297618 34 C 3 X 0.004776 0.012290 -0.009443 -0.005008 0.017981 35 C 3 Y -0.002358 0.003404 -0.001612 -0.002361 0.008726 36 C 3 Z 0.002333 0.007131 -0.003209 -0.006730 0.002851 37 C 3 X 0.613954 -0.136135 -0.347237 0.052366 0.965847 38 C 3 Y -0.161768 -0.173224 0.315047 0.141215 -0.849614 39 C 3 Z 0.027004 -0.051360 -0.015317 0.122332 -0.015969 40 C 3 XX -0.015045 -0.005833 0.007705 0.007544 -0.034818 41 C 3 YY 0.004150 0.003599 0.005825 -0.003098 -0.009737 42 C 3 ZZ 0.010895 0.002233 -0.013530 -0.004447 0.044555 43 C 3 XY 0.026433 0.003957 -0.024611 0.003083 0.046908 44 C 3 XZ 0.000676 -0.002824 -0.000573 -0.009554 0.002658 45 C 3 YZ 0.003105 0.007494 -0.001948 0.010363 -0.008338 46 C 4 S 0.011740 -0.007784 -0.004766 0.007492 0.003022 47 C 4 S 0.021216 -0.013986 -0.007883 0.013419 0.005857 48 C 4 S -0.185979 0.123681 0.031661 -0.077363 -0.057378 49 C 4 X 0.002552 -0.001586 0.004605 0.002273 -0.011156 50 C 4 Y -0.002005 -0.003356 0.000754 0.003970 -0.014045 51 C 4 Z -0.003047 -0.002481 -0.003398 0.006390 -0.001929 52 C 4 X 0.024339 -0.049143 0.011098 0.048204 -0.107710 53 C 4 Y 0.194974 -0.030542 -0.016870 0.029450 0.166083 54 C 4 Z 0.118851 0.013065 0.008893 -0.091630 0.085568 55 C 4 XX -0.001148 -0.001743 -0.006813 -0.003989 0.022799 56 C 4 YY -0.002768 0.003437 0.011537 -0.001125 -0.013539 57 C 4 ZZ 0.003916 -0.001694 -0.004724 0.005115 -0.009259 58 C 4 XY -0.011874 0.003243 0.001548 -0.004295 -0.002841 59 C 4 XZ 0.000486 -0.000492 -0.001785 0.002233 0.001495 60 C 4 YZ 0.003285 0.000542 -0.002681 -0.005640 0.006624 61 S 5 S 0.000954 -0.000296 0.000130 0.000306 -0.000296 62 S 5 S 0.007182 -0.002120 0.000977 0.002249 -0.001938 63 S 5 S 0.009543 -0.002523 0.001462 0.002901 -0.002156 64 S 5 S 0.045009 0.001440 -0.020685 -0.027222 0.104578 65 S 5 X -0.003675 -0.000025 -0.000057 -0.000101 -0.002650 66 S 5 Y 0.001063 -0.000814 0.000063 -0.001076 0.000876 67 S 5 Z 0.000383 -0.000213 -0.000103 0.000374 0.000611 68 S 5 X -0.011258 -0.000389 -0.000648 -0.000528 -0.007191 69 S 5 Y 0.002777 -0.002507 0.000103 -0.003482 0.002690 70 S 5 Z 0.001421 -0.000905 -0.000423 0.001741 0.002045 71 S 5 X -0.023227 -0.004176 -0.001240 -0.005928 -0.021693 72 S 5 Y -0.008231 0.018268 0.007331 0.017426 -0.006678 73 S 5 Z 0.007995 -0.000116 -0.001991 0.005882 0.011535 74 S 5 XX 0.002857 0.000612 0.002845 0.002169 -0.004459 75 S 5 YY -0.003241 0.000054 -0.002017 -0.003653 0.004082 76 S 5 ZZ 0.000384 -0.000666 -0.000829 0.001484 0.000377 77 S 5 XY 0.001329 0.000412 0.000075 0.002265 -0.000650 78 S 5 XZ -0.001948 0.000819 0.000450 -0.002473 -0.001838 79 S 5 YZ 0.000563 -0.000520 -0.000351 0.000493 0.001211 80 S 5 XX 0.001508 0.000533 0.002487 0.001897 -0.004911 81 S 5 YY -0.004109 0.000221 -0.001717 -0.004552 0.003998 82 S 5 ZZ 0.002600 -0.000753 -0.000769 0.002655 0.000914 83 S 5 XY 0.002616 -0.000598 0.000026 0.001338 0.000440 84 S 5 XZ -0.002266 0.000925 0.000662 -0.002911 -0.002379 85 S 5 YZ 0.000905 -0.000620 -0.000331 0.000276 0.001257 86 H 6 S -0.004923 0.000114 0.007139 0.007230 -0.012317 87 H 6 S -0.026876 0.002317 0.014752 -0.000909 -0.037537 88 H 6 X -0.003906 -0.007639 -0.004459 -0.014877 0.009253 89 H 6 Y 0.001923 0.001849 -0.001411 0.003629 0.001015 90 H 6 Z -0.000550 -0.000217 0.000121 0.003478 -0.001450 91 C 7 S -0.013969 0.035433 0.015405 -0.023873 0.040946 92 C 7 S -0.024375 0.063093 0.027229 -0.040401 0.071250 93 C 7 S 0.186205 -0.596176 -0.421766 0.726954 -0.693269 94 C 7 X 0.004861 -0.011152 -0.001060 -0.009710 0.005087 95 C 7 Y 0.000182 -0.002000 0.001037 -0.002175 -0.004043 96 C 7 Z 0.003716 -0.003282 -0.001991 0.003360 -0.002332 97 C 7 X 0.382510 0.244608 0.319234 -0.423947 0.402147 98 C 7 Y -0.098241 0.159156 0.140030 -0.312776 0.375543 99 C 7 Z -0.078918 -0.012446 -0.014245 0.020006 -0.047272 100 C 7 XX 0.012180 -0.015006 -0.006457 0.006127 -0.012948 101 C 7 YY -0.002306 -0.002273 -0.003627 0.010089 -0.010886 102 C 7 ZZ -0.009874 0.017279 0.010084 -0.016216 0.023834 103 C 7 XY -0.030775 0.004974 -0.016919 0.022991 -0.017712 104 C 7 XZ -0.001931 0.007844 -0.006703 0.001064 0.017465 105 C 7 YZ 0.001585 0.001258 -0.005003 0.003207 0.006831 106 C 8 S 0.013664 -0.000746 0.011479 -0.006909 0.000950 107 C 8 S 0.023676 -0.001518 0.020415 -0.012161 0.000938 108 C 8 S -0.256883 0.049201 -0.091041 0.031107 -0.010177 109 C 8 X -0.007639 0.000528 -0.006314 0.003723 -0.002134 110 C 8 Y 0.003996 -0.003020 -0.002170 0.004324 -0.002309 111 C 8 Z 0.001228 -0.000924 -0.000202 -0.000152 -0.000468 112 C 8 X 0.071018 -0.002396 0.102515 -0.074098 0.026571 113 C 8 Y 0.184108 0.011802 0.104490 -0.087798 0.086815 114 C 8 Z 0.016133 0.004206 0.014299 -0.007297 0.007296 115 C 8 XX -0.004600 0.003124 -0.004401 0.002940 0.002208 116 C 8 YY -0.006518 -0.003258 -0.004722 0.003010 -0.005146 117 C 8 ZZ 0.011118 0.000134 0.009122 -0.005950 0.002938 118 C 8 XY 0.000672 -0.001936 -0.003128 0.005682 -0.004656 119 C 8 XZ 0.001182 0.000274 -0.000342 -0.000443 0.001483 120 C 8 YZ -0.000830 -0.000883 -0.001511 0.000057 -0.000120 121 C 9 S 0.031639 -0.009347 0.012597 -0.003196 -0.005853 122 C 9 S 0.055247 -0.015652 0.022397 -0.006423 -0.009266 123 C 9 S -0.507548 0.073025 -0.165496 0.035149 -0.045567 124 C 9 X 0.007333 -0.001910 -0.001873 0.004500 -0.001140 125 C 9 Y -0.000706 0.006367 -0.000586 -0.002521 0.014300 126 C 9 Z -0.000010 0.001751 -0.001050 -0.002041 0.006808 127 C 9 X 0.130877 -0.077714 0.007369 0.018261 -0.132664 128 C 9 Y -0.281911 -0.008867 -0.058967 0.142950 -0.236435 129 C 9 Z -0.178859 0.024844 -0.032476 0.037417 -0.074960 130 C 9 XX -0.016241 0.014191 0.004009 -0.001781 0.005791 131 C 9 YY 0.004649 -0.003765 -0.007283 0.000964 0.003401 132 C 9 ZZ 0.011593 -0.010426 0.003273 0.000817 -0.009192 133 C 9 XY 0.009875 -0.002679 0.001750 -0.003005 -0.000894 134 C 9 XZ 0.011983 -0.006912 0.000755 0.000054 -0.004960 135 C 9 YZ -0.006839 0.003101 0.004066 0.001784 -0.004304 136 C 10 S -0.008652 0.014300 -0.021029 0.002062 -0.002542 137 C 10 S -0.013718 0.025722 -0.033974 -0.001768 0.001509 138 C 10 S 0.391787 -0.035017 0.537981 -0.375475 0.615947 139 C 10 X 0.005145 -0.013328 -0.006764 0.014967 -0.011764 140 C 10 Y -0.002661 0.005933 -0.000727 0.000374 -0.000490 141 C 10 Z -0.007704 0.007847 0.017478 -0.014954 -0.010410 142 C 10 X -0.141171 0.238310 0.276735 -0.571838 0.268614 143 C 10 Y 0.176967 0.610136 0.239384 -0.479307 0.403694 144 C 10 Z 0.007858 -0.070433 -0.111888 0.220848 -0.082912 145 C 10 XX 0.005189 0.018674 0.016573 -0.022128 0.021470 146 C 10 YY 0.004870 -0.033299 0.002503 0.007456 -0.012294 147 C 10 ZZ -0.010059 0.014625 -0.019077 0.014673 -0.009176 148 C 10 XY 0.011498 -0.014719 -0.019634 -0.005173 0.028646 149 C 10 XZ -0.007493 0.012380 -0.016869 0.007484 0.014728 150 C 10 YZ -0.003390 0.006278 -0.003322 -0.003528 0.003834 151 C 11 S -0.018696 -0.027968 0.009194 0.005720 -0.032203 152 C 11 S -0.028856 -0.048841 0.011244 0.012603 -0.046488 153 C 11 S 0.801596 0.407596 -0.441963 -0.114144 1.496008 154 C 11 X -0.003936 0.015312 0.004259 -0.019847 -0.009097 155 C 11 Y 0.000702 0.005186 0.006700 -0.000871 -0.010161 156 C 11 Z -0.004953 -0.010507 0.002313 0.016354 -0.009955 157 C 11 X 0.449437 -0.072162 -0.511943 0.100533 1.107500 158 C 11 Y -0.338875 0.484338 0.099601 -0.246348 -0.296207 159 C 11 Z 0.017325 0.055785 0.020912 -0.173254 0.120887 160 C 11 XX 0.020896 0.001508 -0.025973 0.002204 0.055173 161 C 11 YY -0.001879 0.024390 0.006826 0.004727 -0.023622 162 C 11 ZZ -0.019017 -0.025898 0.019147 -0.006931 -0.031551 163 C 11 XY -0.012140 -0.031824 -0.000350 0.028983 -0.027862 164 C 11 XZ 0.001613 -0.015569 -0.009039 -0.009379 0.029092 165 C 11 YZ -0.001412 0.010112 0.010724 -0.003377 -0.003638 166 C 12 S 0.015623 0.022316 0.001084 -0.000372 -0.030652 167 C 12 S 0.024736 0.040738 -0.006212 -0.001360 -0.061073 168 C 12 S -0.378706 -0.019548 -0.068520 -0.287660 0.181248 169 C 12 X -0.002399 0.011269 -0.004321 0.000747 0.026164 170 C 12 Y -0.002713 -0.029365 -0.000524 0.024409 0.000093 171 C 12 Z -0.002635 0.014414 -0.011751 0.042473 0.036947 172 C 12 X -0.041071 -0.130116 -0.076509 0.019029 -0.124325 173 C 12 Y 0.033832 -0.065734 0.040614 0.171876 -0.155396 174 C 12 Z 0.167907 -0.046465 0.043330 -0.157709 0.041870 175 C 12 XX -0.008016 -0.020306 -0.037259 0.027177 -0.033059 176 C 12 YY -0.002154 0.027870 -0.012682 0.019002 0.040694 177 C 12 ZZ 0.010171 -0.007565 0.049940 -0.046179 -0.007635 178 C 12 XY -0.015315 -0.016584 -0.021049 0.007960 -0.014973 179 C 12 XZ -0.027454 0.028956 0.004501 0.008671 0.021534 180 C 12 YZ -0.005073 -0.014021 0.003108 -0.013286 -0.005123 181 C 13 S -0.037444 0.001634 0.009624 -0.010520 -0.018818 182 C 13 S -0.062211 0.003196 0.023515 -0.016138 -0.034195 183 C 13 S 0.414612 -0.029420 0.045492 0.214508 -0.127944 184 C 13 X -0.008016 0.000709 0.025457 0.008458 -0.041325 185 C 13 Y -0.003622 0.021025 0.019365 -0.027750 0.012313 186 C 13 Z 0.021102 0.004346 -0.036107 -0.020845 -0.044805 187 C 13 X 0.211787 0.025141 0.056025 0.039152 0.055852 188 C 13 Y 0.051196 -0.119107 -0.081427 0.065758 0.032348 189 C 13 Z -0.112493 -0.051565 0.176276 0.126910 -0.040480 190 C 13 XX -0.033938 0.000335 0.050297 0.017506 -0.019755 191 C 13 YY 0.016410 -0.003190 0.028404 0.013062 0.069146 192 C 13 ZZ 0.017528 0.002855 -0.078701 -0.030568 -0.049391 193 C 13 XY -0.006528 -0.009286 0.000265 0.002736 -0.008785 194 C 13 XZ 0.012689 -0.000748 -0.003675 -0.004625 0.009552 195 C 13 YZ 0.001685 -0.009078 -0.010045 0.043986 0.006919 196 C 14 S 0.012812 -0.019620 -0.004490 0.018839 -0.051031 197 C 14 S 0.018149 -0.035083 -0.011062 0.029735 -0.100896 198 C 14 S -0.164307 0.084361 -0.232582 -0.173027 0.551322 199 C 14 X 0.005847 -0.004825 0.003018 -0.002110 0.027696 200 C 14 Y 0.008803 -0.021601 -0.016560 0.016787 -0.013818 201 C 14 Z -0.002064 -0.019806 0.015389 -0.028554 0.039436 202 C 14 X -0.039445 0.114434 0.028533 -0.062755 -0.098103 203 C 14 Y -0.043248 -0.000350 -0.091871 -0.120503 0.194189 204 C 14 Z 0.117160 0.091464 -0.074342 0.117955 -0.041716 205 C 14 XX -0.023354 0.024917 0.004152 -0.035840 -0.042322 206 C 14 YY 0.006595 -0.019425 -0.001997 -0.019502 0.046441 207 C 14 ZZ 0.016759 -0.005492 -0.002154 0.055341 -0.004118 208 C 14 XY 0.018290 -0.003585 0.016955 0.016763 -0.015018 209 C 14 XZ -0.022791 -0.025743 0.010123 -0.001901 0.011613 210 C 14 YZ 0.003651 -0.027408 0.006257 -0.023469 0.020449 211 F 15 S -0.000410 -0.009078 -0.002733 -0.006479 0.022902 212 F 15 S -0.003507 -0.017381 -0.009082 -0.009742 0.048231 213 F 15 S -0.025776 0.055368 -0.020339 0.091289 -0.104824 214 F 15 X 0.004844 -0.000873 -0.006397 0.003887 -0.004798 215 F 15 Y -0.013473 0.005731 0.002025 -0.004252 -0.010480 216 F 15 Z 0.022368 -0.009530 0.023054 -0.021178 -0.006675 217 F 15 X -0.016622 0.019404 0.018125 -0.001826 0.016023 218 F 15 Y 0.018485 -0.012360 -0.002447 -0.001168 0.029708 219 F 15 Z -0.031018 -0.003145 -0.015947 0.002954 0.032096 220 F 15 XX -0.351987 0.315756 0.037626 -0.065109 -0.039231 221 F 15 YY 0.328928 -0.342939 -0.131110 0.118367 -0.016663 222 F 15 ZZ 0.023060 0.027184 0.093484 -0.053258 0.055894 223 F 15 XY -0.084204 0.038779 -0.304519 0.091581 -0.204775 224 F 15 XZ -0.113636 0.191070 0.143781 -0.036563 0.103531 225 F 15 YZ -0.232017 0.059143 0.023659 -0.044864 -0.175253 226 F 16 S -0.013470 -0.004398 -0.003689 0.021132 0.007175 227 F 16 S -0.026315 -0.011437 -0.007888 0.044056 0.015088 228 F 16 S 0.089657 -0.000428 0.010235 -0.107031 -0.026722 229 F 16 X -0.005730 0.000997 -0.005005 -0.001230 -0.011682 230 F 16 Y -0.003171 0.012803 0.001087 0.001296 -0.001020 231 F 16 Z 0.022389 -0.014347 0.006973 -0.002869 0.007032 232 F 16 X 0.018015 -0.004429 0.011606 -0.004802 0.023352 233 F 16 Y -0.017892 -0.007466 -0.008590 0.015762 0.026455 234 F 16 Z -0.034583 0.022177 -0.019882 0.006164 -0.019176 235 F 16 XX 0.451232 -0.355352 0.132658 -0.107564 -0.047220 236 F 16 YY 0.039245 0.089046 0.027237 0.027750 0.064363 237 F 16 ZZ -0.490477 0.266306 -0.159896 0.079814 -0.017143 238 F 16 XY 0.189799 -0.105607 0.248987 -0.193508 -0.161232 239 F 16 XZ 0.069441 0.147925 0.537891 -0.290331 -0.034192 240 F 16 YZ -0.136330 0.186923 0.015614 0.044602 0.074073 241 F 17 S -0.005769 0.000542 0.009666 -0.005023 0.018201 242 F 17 S -0.010971 0.004064 0.020270 -0.009736 0.037685 243 F 17 S 0.044674 0.029115 -0.048973 0.030896 -0.090317 244 F 17 X -0.004172 -0.002795 -0.001279 -0.006100 -0.012829 245 F 17 Y -0.003995 0.009879 -0.000077 -0.000598 -0.002034 246 F 17 Z 0.015743 0.022576 0.002950 0.010904 0.004590 247 F 17 X 0.010702 0.007652 -0.004030 0.011687 0.030685 248 F 17 Y 0.017358 -0.000561 -0.006016 0.022936 -0.035232 249 F 17 Z -0.025974 -0.028469 -0.007665 -0.024427 -0.025202 250 F 17 XX 0.363934 0.454494 -0.005799 0.214011 -0.098429 251 F 17 YY -0.047452 -0.154132 0.051021 -0.126458 0.124091 252 F 17 ZZ -0.316482 -0.300362 -0.045221 -0.087553 -0.025663 253 F 17 XY -0.094997 -0.040358 -0.120367 -0.327473 0.248838 254 F 17 XZ 0.036370 -0.130430 0.232633 0.470827 -0.126968 255 F 17 YZ 0.197620 0.220977 -0.017624 0.100183 -0.037836 256 F 18 S -0.000402 0.008260 -0.004244 0.001051 0.021920 257 F 18 S -0.003407 0.015134 -0.008716 -0.002099 0.046713 258 F 18 S -0.026802 -0.061634 0.034979 -0.055093 -0.091088 259 F 18 X 0.000708 0.000528 0.000518 -0.008688 -0.005461 260 F 18 Y 0.005594 0.008289 0.003783 -0.013879 0.015227 261 F 18 Z 0.021571 0.016657 0.002924 0.024428 -0.007680 262 F 18 X -0.007656 -0.017205 0.001010 0.014571 0.017894 263 F 18 Y -0.007822 -0.025613 -0.003003 0.020893 -0.043475 264 F 18 Z -0.025355 -0.010851 -0.010213 -0.012121 0.033823 265 F 18 XX -0.234649 -0.407397 -0.074990 -0.121940 -0.052702 266 F 18 YY 0.147159 0.389573 0.015842 0.021668 -0.063253 267 F 18 ZZ 0.087490 0.017824 0.059149 0.100272 0.115955 268 F 18 XY -0.040266 -0.049963 0.160343 0.325100 0.147657 269 F 18 XZ -0.132313 -0.260423 0.116591 0.168298 0.067077 270 F 18 YZ 0.190384 0.193823 0.042922 0.005698 0.162528 271 C 19 S 0.002114 0.000860 0.003676 -0.003002 0.001483 272 C 19 S 0.004122 0.001429 0.006809 -0.005405 0.002451 273 C 19 S -0.071573 -0.020534 -0.080230 0.072993 -0.058552 274 C 19 X -0.000421 0.000172 0.001058 -0.001011 0.000114 275 C 19 Y -0.001122 0.000369 -0.001065 0.000201 0.000792 276 C 19 Z 0.000067 0.000030 -0.000158 0.000134 0.000262 277 C 19 X 0.021472 0.000620 0.012143 -0.011026 0.011630 278 C 19 Y 0.015955 0.005434 0.027519 -0.023283 0.011537 279 C 19 Z 0.009627 -0.001325 0.004830 -0.006960 0.007832 280 C 19 XX 0.000595 -0.000357 0.004159 -0.001855 -0.000707 281 C 19 YY 0.000496 0.000037 -0.001366 -0.000000 0.001058 282 C 19 ZZ -0.001091 0.000320 -0.002793 0.001855 -0.000351 283 C 19 XY 0.001215 0.000550 0.001214 -0.000580 0.001070 284 C 19 XZ 0.000224 0.000083 0.000448 -0.000286 0.000247 285 C 19 YZ 0.001589 -0.000003 0.000629 -0.001150 0.001438 286 H 20 S 0.000295 0.002385 0.000216 -0.001871 0.003051 287 H 20 S -0.006332 0.003263 -0.000188 -0.001063 0.003046 288 H 20 X 0.000449 -0.000943 0.002183 -0.000868 -0.001738 289 H 20 Y -0.000187 0.000154 0.000720 -0.000830 -0.000512 290 H 20 Z -0.000981 0.000287 -0.000032 0.000496 -0.000948 291 H 21 S 0.004162 0.000262 0.005299 -0.004977 0.003785 292 H 21 S 0.003445 -0.000460 -0.001980 0.000614 0.003974 293 H 21 X 0.000844 0.000685 0.001039 -0.001530 0.001483 294 H 21 Y 0.000093 0.000527 -0.000940 0.000363 0.000434 295 H 21 Z 0.001805 0.000321 0.000876 -0.000788 0.001707 296 C 22 S 0.003208 0.001377 -0.001799 0.001439 0.004325 297 C 22 S 0.006258 0.002805 -0.002924 0.003862 0.006988 298 C 22 S -0.056205 -0.011387 0.041646 0.003915 -0.111375 299 C 22 X 0.000050 0.000046 0.001241 0.000890 -0.002070 300 C 22 Y 0.001198 0.000809 0.002094 0.005588 -0.005121 301 C 22 Z 0.000049 -0.000264 -0.000255 0.000466 0.000069 302 C 22 X -0.004669 -0.004906 -0.021298 -0.032243 0.046157 303 C 22 Y -0.025432 -0.010294 0.005351 -0.017483 -0.019215 304 C 22 Z 0.000538 -0.002458 0.000066 0.007730 -0.001718 305 C 22 XX -0.001102 0.000378 0.000286 0.000273 -0.001523 306 C 22 YY 0.001429 -0.002009 -0.003633 -0.004963 0.007895 307 C 22 ZZ -0.000327 0.001630 0.003347 0.004689 -0.006372 308 C 22 XY 0.000696 -0.000681 -0.003130 -0.006275 0.007747 309 C 22 XZ -0.000162 -0.000411 -0.000771 0.000702 0.000358 310 C 22 YZ 0.000295 -0.000959 -0.000068 -0.000665 0.001017 311 H 23 S -0.001554 0.000820 -0.001068 -0.000424 0.002334 312 H 23 S -0.005601 -0.006279 -0.005470 -0.014809 0.010679 313 H 23 X -0.000731 0.000380 -0.000004 0.000627 0.000022 314 H 23 Y 0.000051 0.000182 0.002759 0.003685 -0.005769 315 H 23 Z -0.000238 -0.000051 0.000213 -0.000839 -0.000372 316 H 24 S 0.003354 -0.000101 -0.002777 -0.004779 0.007706 317 H 24 S 0.000373 0.002115 0.002330 -0.000261 -0.003767 318 H 24 X 0.001808 0.000478 0.001944 0.005674 -0.004324 319 H 24 Y -0.000932 -0.000112 0.000251 -0.001024 -0.001246 320 H 24 Z -0.001712 0.000084 0.000123 0.000044 -0.001401 321 H 25 S 0.003522 -0.001591 -0.004252 -0.001071 0.008368 322 H 25 S 0.003127 -0.000609 0.000014 0.006988 -0.000151 323 H 25 X 0.001501 0.001415 0.002908 0.003757 -0.005165 324 H 25 Y -0.000776 -0.001072 -0.000280 -0.001021 -0.000098 325 H 25 Z 0.001532 -0.000487 -0.000958 0.000244 0.002043 326 C 26 S 0.009745 -0.005136 0.001079 -0.001129 -0.002652 327 C 26 S 0.017977 -0.009228 0.002608 -0.002907 -0.005185 328 C 26 S -0.091140 0.018781 0.002821 0.022191 -0.054144 329 C 26 X -0.002038 0.002551 0.003028 -0.002173 0.000511 330 C 26 Y 0.000815 -0.001248 -0.003163 0.003953 -0.003306 331 C 26 Z 0.001657 -0.000526 0.000760 0.001620 -0.003638 332 C 26 X -0.001364 0.003864 0.004293 -0.004418 -0.014940 333 C 26 Y 0.008269 0.016313 0.001373 -0.015133 0.031317 334 C 26 Z -0.042391 0.012181 -0.002556 0.018300 -0.021201 335 C 26 XX 0.002712 0.001555 0.007360 -0.006935 0.006183 336 C 26 YY 0.001699 -0.001938 -0.004006 0.002539 -0.002710 337 C 26 ZZ -0.004411 0.000383 -0.003353 0.004397 -0.003473 338 C 26 XY 0.004652 -0.001827 -0.004942 0.004905 0.006718 339 C 26 XZ 0.002879 -0.001228 -0.005147 0.005670 0.003795 340 C 26 YZ 0.004321 0.002926 0.006102 -0.007659 0.013225 341 H 27 S -0.000539 -0.001374 0.000618 -0.002780 -0.009719 342 H 27 S 0.002601 0.010840 0.001524 -0.000881 0.004844 343 H 27 X -0.001702 0.003001 -0.001564 0.002218 0.000708 344 H 27 Y -0.001621 -0.000173 -0.000337 0.002402 -0.010250 345 H 27 Z 0.000200 -0.001830 0.000464 0.001069 -0.002440 346 H 28 S 0.008920 -0.004225 0.003998 -0.003426 0.004194 347 H 28 S -0.009140 -0.005488 -0.001774 0.008100 -0.015572 348 H 28 X 0.001543 0.000601 0.001098 -0.000740 0.005620 349 H 28 Y -0.001247 -0.002388 -0.004094 0.003640 -0.006278 350 H 28 Z 0.002974 -0.003213 0.000368 -0.001150 -0.000667 351 H 29 S 0.001399 -0.001307 -0.010426 0.008129 0.008449 352 H 29 S -0.005654 0.003064 -0.005104 0.004075 0.012580 353 H 29 X -0.001634 0.000616 0.005771 -0.005677 -0.001564 354 H 29 Y -0.000940 -0.001930 -0.002659 0.004949 -0.001596 355 H 29 Z -0.005920 0.000800 -0.002486 0.001763 0.000590 356 C 30 S 0.000780 -0.000224 0.002497 0.002516 -0.007727 357 C 30 S 0.001905 -0.000699 0.003933 0.005146 -0.013144 358 C 30 S -0.049966 -0.019364 -0.034480 0.047856 -0.001530 359 C 30 X -0.000583 0.001300 -0.001411 -0.001507 0.003929 360 C 30 Y 0.001576 0.003009 -0.003488 -0.002397 0.008301 361 C 30 Z 0.003671 0.002166 0.000143 -0.005139 0.002193 362 C 30 X 0.000740 0.000141 0.006222 0.013659 -0.015660 363 C 30 Y -0.007987 0.003246 -0.008673 0.006970 -0.015661 364 C 30 Z 0.032811 0.006448 0.001152 -0.012987 0.008494 365 C 30 XX 0.004798 0.004421 -0.010717 -0.000756 0.020554 366 C 30 YY 0.002508 -0.003463 0.003499 0.000268 -0.009884 367 C 30 ZZ -0.007306 -0.000957 0.007218 0.000488 -0.010671 368 C 30 XY 0.000488 0.004775 -0.006171 -0.002540 0.010871 369 C 30 XZ -0.000612 0.000873 -0.004141 -0.000428 0.003223 370 C 30 YZ 0.001872 0.006334 -0.004342 -0.001612 0.019094 371 H 31 S -0.001117 0.007482 -0.002139 0.000956 0.007420 372 H 31 S -0.007954 0.000880 -0.000918 -0.000050 -0.010220 373 H 31 X 0.002471 -0.000448 -0.001458 0.000173 0.005754 374 H 31 Y 0.001549 0.003481 -0.004175 -0.001738 0.013929 375 H 31 Z 0.001346 -0.001809 -0.000191 -0.001414 0.001989 376 H 32 S 0.000438 0.001182 0.003453 -0.000614 -0.010247 377 H 32 S -0.009416 0.001577 0.017801 0.003383 -0.010648 378 H 32 X -0.002734 -0.001621 0.000554 -0.001000 -0.000102 379 H 32 Y 0.001908 0.001996 -0.002486 -0.004194 0.010042 380 H 32 Z 0.003266 -0.002766 -0.003367 -0.000456 0.003356 381 H 33 S -0.004072 -0.002840 0.012820 -0.004199 -0.016190 382 H 33 S -0.003906 0.000570 0.001358 -0.012040 0.009237 383 H 33 X 0.001339 0.003240 -0.005753 -0.000070 0.008748 384 H 33 Y 0.002386 0.001869 -0.003873 0.000705 0.006707 385 H 33 Z 0.004713 -0.000964 -0.000716 0.000525 0.003725 386 H 34 S 0.000898 0.000693 0.004169 -0.002554 0.000928 387 H 34 S -0.003050 0.001669 -0.001471 0.001649 -0.002551 388 H 34 X -0.000273 0.000878 0.000657 -0.000407 0.000452 389 H 34 Y 0.001332 0.000365 -0.000926 0.000376 0.001948 390 H 34 Z -0.000518 -0.000328 -0.001060 0.000647 -0.000358 391 F 35 S -0.006215 -0.004865 -0.008057 0.007165 0.024342 392 F 35 S -0.011619 -0.010042 -0.019351 0.014050 0.055224 393 F 35 S 0.054216 0.026563 0.004901 -0.048812 -0.044649 394 F 35 X 0.012129 0.000069 -0.014248 -0.004787 0.027440 395 F 35 Y 0.000732 -0.000196 -0.005528 0.009599 0.001610 396 F 35 Z -0.008059 -0.001772 0.008589 0.001692 -0.008064 397 F 35 X -0.011863 0.004558 0.005024 -0.011340 -0.048795 398 F 35 Y -0.002212 0.007480 0.012239 -0.020077 -0.003612 399 F 35 Z 0.014035 0.003898 -0.029588 -0.007900 0.004539 400 F 35 XX -0.072637 -0.005088 0.175582 0.098311 0.045065 401 F 35 YY 0.192342 0.049043 -0.309003 -0.265502 -0.408478 402 F 35 ZZ -0.119706 -0.043955 0.133421 0.167191 0.363412 403 F 35 XY 0.009723 -0.023898 0.023802 -0.056836 0.039316 404 F 35 XZ -0.092258 -0.017750 0.275166 0.139629 0.181189 405 F 35 YZ 0.085572 -0.007972 -0.171149 0.128514 -0.048150 406 F 36 S 0.019846 0.000420 -0.018236 0.000103 0.018376 407 F 36 S 0.038545 0.000330 -0.033616 0.002458 0.041309 408 F 36 S -0.144818 -0.011397 0.141896 0.028526 -0.051020 409 F 36 X -0.001230 -0.000304 0.016311 0.005555 -0.011505 410 F 36 Y 0.000066 0.003119 -0.005852 0.007668 -0.003902 411 F 36 Z -0.011252 -0.003376 0.027271 0.017072 0.023773 412 F 36 X -0.008471 -0.000197 -0.031943 -0.011636 0.014627 413 F 36 Y 0.001763 0.002257 0.015104 -0.032648 0.007436 414 F 36 Z -0.022644 0.003692 0.008338 -0.016624 -0.033398 415 F 36 XX 0.159175 0.027844 -0.225123 -0.000775 0.609522 416 F 36 YY -0.185100 -0.026030 0.304992 0.009876 -0.547806 417 F 36 ZZ 0.025925 -0.001814 -0.079869 -0.009101 -0.061716 418 F 36 XY -0.001124 0.026812 0.181635 -0.393911 0.115683 419 F 36 XZ 0.043759 0.001982 -0.172342 -0.136705 0.085772 420 F 36 YZ -0.001105 -0.025945 -0.052483 0.126536 -0.054514 421 C 37 S -0.008764 0.006138 -0.000021 -0.001664 0.000665 422 C 37 S -0.013458 0.010984 0.000700 -0.003094 0.002380 423 C 37 S 0.367619 -0.019910 0.112419 -0.094395 0.199793 424 C 37 X 0.000159 -0.002973 0.001062 0.000235 -0.003714 425 C 37 Y -0.003494 0.002127 0.002438 -0.002106 -0.001001 426 C 37 Z -0.000343 -0.000312 -0.000339 0.000147 -0.000479 427 C 37 X -0.211432 0.052130 -0.067197 0.041232 -0.052658 428 C 37 Y 0.083066 -0.026626 -0.004889 0.022952 -0.039427 429 C 37 Z 0.005399 -0.006128 -0.003391 0.005629 -0.020075 430 C 37 XX 0.007163 -0.002741 0.003483 -0.003181 0.005187 431 C 37 YY 0.002881 -0.000805 -0.002121 0.004173 -0.002473 432 C 37 ZZ -0.010044 0.003545 -0.001362 -0.000991 -0.002715 433 C 37 XY -0.003209 -0.002844 -0.004370 0.002776 -0.003784 434 C 37 XZ 0.001817 -0.000137 0.002175 -0.000996 -0.000633 435 C 37 YZ 0.003050 -0.001971 -0.000747 0.002013 0.002721 436 S 38 S -0.003133 0.001513 -0.001869 0.000561 0.000609 437 S 38 S -0.021989 0.011085 -0.012734 0.003563 0.004532 438 S 38 S -0.024608 0.013995 -0.012714 0.002405 0.006193 439 S 38 S 0.115859 -0.043047 0.063017 0.022850 -0.091891 440 S 38 X -0.000437 -0.000846 -0.001125 0.000686 -0.000030 441 S 38 Y 0.000335 -0.001342 -0.000623 -0.000875 0.002485 442 S 38 Z 0.000558 0.000466 0.000822 -0.000712 0.000021 443 S 38 X -0.002841 -0.002210 -0.004955 0.002936 -0.000367 444 S 38 Y -0.000729 -0.004012 -0.003665 -0.001205 0.006813 445 S 38 Z 0.002260 0.001575 0.003265 -0.002665 -0.000195 446 S 38 X 0.013332 -0.022620 0.029965 -0.000950 -0.030864 447 S 38 Y -0.040334 0.006441 -0.010307 -0.012813 0.022421 448 S 38 Z 0.006925 -0.005803 -0.004227 0.003121 0.005755 449 S 38 XX 0.010794 -0.005425 0.007558 -0.003736 -0.000882 450 S 38 YY -0.004103 0.004335 -0.001492 -0.000623 0.002564 451 S 38 ZZ -0.006692 0.001091 -0.006066 0.004358 -0.001682 452 S 38 XY 0.004561 0.003093 0.003833 -0.004235 0.004921 453 S 38 XZ 0.000176 0.000452 0.000582 -0.000529 -0.000035 454 S 38 YZ -0.003202 0.001215 -0.000161 -0.000233 -0.000931 455 S 38 XX 0.011184 -0.006258 0.008159 -0.005040 -0.000881 456 S 38 YY -0.003524 0.002282 -0.002988 0.001553 0.001743 457 S 38 ZZ -0.007660 0.003976 -0.005170 0.003487 -0.000862 458 S 38 XY 0.004433 -0.000075 0.002301 -0.002007 0.003055 459 S 38 XZ 0.000381 0.000713 0.000844 -0.000744 -0.000351 460 S 38 YZ -0.003808 0.002123 0.000505 -0.001004 -0.001398 461 H 39 S 0.004650 -0.005578 -0.000819 0.004107 -0.011564 462 H 39 S 0.052631 -0.020186 0.011781 -0.006409 0.003483 463 H 39 X 0.009916 -0.001629 0.004975 -0.003157 0.004825 464 H 39 Y -0.001732 0.000097 0.000516 -0.000980 0.001321 465 H 39 Z 0.000932 -0.000200 -0.000582 -0.000338 0.002616 406 407 408 409 410 4.0010 4.0056 4.0158 4.0208 4.0335 A A A A A 1 C 1 S 0.002071 0.003031 -0.012904 -0.011622 -0.002876 2 C 1 S 0.002604 0.005035 -0.024657 -0.019318 -0.004244 3 C 1 S 0.201368 -0.054935 0.108781 0.123991 0.072187 4 C 1 X -0.006082 0.003827 0.011547 -0.001224 -0.004571 5 C 1 Y 0.010062 0.004551 0.003544 -0.004349 -0.002056 6 C 1 Z 0.000770 0.001033 -0.000772 0.000061 0.001868 7 C 1 X -0.112413 0.019575 -0.134762 -0.070594 -0.035351 8 C 1 Y -0.173940 -0.078978 -0.026092 0.155171 0.063321 9 C 1 Z 0.004052 -0.011636 0.012005 0.001626 -0.008092 10 C 1 XX 0.003018 -0.003250 -0.001064 0.002814 0.004171 11 C 1 YY -0.008024 0.002153 0.005297 0.006691 -0.000395 12 C 1 ZZ 0.005006 0.001096 -0.004233 -0.009505 -0.003776 13 C 1 XY 0.010975 -0.000918 -0.007985 -0.011322 -0.002341 14 C 1 XZ -0.001180 0.001874 -0.002327 0.002767 0.002230 15 C 1 YZ -0.001674 -0.001280 0.003874 0.000592 -0.001259 16 C 2 S 0.010786 -0.004574 -0.021715 -0.005907 0.005238 17 C 2 S 0.022849 -0.006493 -0.039301 -0.016023 0.008372 18 C 2 S -0.286715 0.418143 0.375773 -0.227467 -0.166405 19 C 2 X 0.002586 -0.003318 0.002868 0.010498 0.001689 20 C 2 Y 0.008078 0.012832 0.006205 -0.026052 -0.006662 21 C 2 Z 0.000462 0.000293 -0.002208 0.002840 -0.001821 22 C 2 X -0.303365 -0.042334 -0.231749 0.014505 -0.005349 23 C 2 Y 0.040829 0.200927 0.276997 -0.147755 -0.091918 24 C 2 Z 0.004975 0.029942 0.022760 0.037033 0.027780 25 C 2 XX -0.003745 -0.000157 0.013529 0.007657 -0.004669 26 C 2 YY 0.011156 0.003245 -0.000412 -0.015481 0.000839 27 C 2 ZZ -0.007411 -0.003087 -0.013117 0.007824 0.003830 28 C 2 XY 0.002785 -0.009801 -0.029455 0.005401 0.011297 29 C 2 XZ -0.000339 -0.003298 -0.005330 0.003690 0.001974 30 C 2 YZ 0.001123 0.007557 -0.005019 0.009462 0.009475 31 C 3 S 0.052716 0.004317 0.003161 -0.037368 -0.017421 32 C 3 S 0.085932 0.009861 0.005148 -0.064006 -0.031960 33 C 3 S -1.436884 0.025855 0.119233 1.650134 0.636889 34 C 3 X 0.022292 -0.012477 -0.016702 -0.001647 0.013293 35 C 3 Y -0.013107 -0.006819 -0.010051 0.019372 0.006325 36 C 3 Z 0.006060 0.005723 -0.009568 0.008925 0.001643 37 C 3 X 1.057472 0.167854 0.073547 -0.877101 -0.262302 38 C 3 Y -0.521000 0.665494 0.678539 0.079219 -0.010867 39 C 3 Z 0.013203 -0.021974 0.012100 -0.205164 -0.073925 40 C 3 XX -0.034487 0.011315 -0.001148 -0.009542 -0.011135 41 C 3 YY -0.013002 -0.012819 -0.004792 0.030700 0.004756 42 C 3 ZZ 0.047489 0.001504 0.005940 -0.021158 0.006379 43 C 3 XY 0.053073 0.007861 -0.041698 -0.058995 0.001784 44 C 3 XZ -0.014274 -0.001749 0.013103 0.003635 -0.001838 45 C 3 YZ 0.003523 0.005827 -0.016438 -0.001670 0.012321 46 C 4 S -0.004217 0.032929 -0.004109 -0.009280 0.009990 47 C 4 S -0.007674 0.057109 -0.007314 -0.014811 0.019432 48 C 4 S -0.094108 -0.649374 -0.255545 0.144180 -0.043619 49 C 4 X 0.002266 0.008155 0.013816 -0.007314 -0.007358 50 C 4 Y -0.013776 0.000676 -0.014111 -0.007254 0.001869 51 C 4 Z -0.005851 0.003779 -0.010010 -0.008798 0.004077 52 C 4 X -0.106513 0.196468 0.020114 -0.046628 0.063143 53 C 4 Y 0.266816 -0.101341 0.141108 -0.183351 -0.100062 54 C 4 Z 0.177366 0.165607 0.151608 0.119237 0.044887 55 C 4 XX 0.017404 0.002933 0.008814 0.000055 -0.005683 56 C 4 YY -0.005830 -0.006062 0.008082 0.009056 0.003786 57 C 4 ZZ -0.011574 0.003128 -0.016897 -0.009111 0.001897 58 C 4 XY 0.003870 -0.015914 0.003858 0.012803 -0.003686 59 C 4 XZ 0.000337 -0.010316 -0.003119 -0.000409 0.000163 60 C 4 YZ 0.004743 0.005625 0.007641 0.011348 0.002476 61 S 5 S -0.001373 -0.001683 -0.003251 0.001772 0.001169 62 S 5 S -0.009348 -0.011707 -0.022792 0.012559 0.008216 63 S 5 S -0.010064 -0.013098 -0.025985 0.015011 0.009516 64 S 5 S 0.172906 0.056305 0.146267 -0.088975 -0.064753 65 S 5 X -0.004752 -0.001887 -0.003161 0.000963 0.001215 66 S 5 Y 0.001099 -0.000779 0.001030 0.001671 0.000386 67 S 5 Z 0.000727 -0.000889 0.000287 -0.001042 -0.001047 68 S 5 X -0.014858 -0.006921 -0.011400 0.002965 0.004240 69 S 5 Y 0.003446 -0.002255 0.002900 0.004733 0.001353 70 S 5 Z 0.002666 -0.003902 0.000987 -0.004062 -0.004187 71 S 5 X -0.050247 -0.026753 -0.051239 0.035675 0.024521 72 S 5 Y -0.018412 0.000771 -0.012247 0.009949 -0.001049 73 S 5 Z 0.015013 -0.011219 0.004892 -0.011538 -0.006501 74 S 5 XX -0.001003 0.002649 0.003188 0.001918 -0.000247 75 S 5 YY 0.003241 0.002604 0.002644 -0.000937 0.000212 76 S 5 ZZ -0.002238 -0.005253 -0.005832 -0.000981 0.000035 77 S 5 XY -0.001393 -0.002434 -0.004275 -0.002484 -0.000891 78 S 5 XZ -0.002752 0.003368 -0.001334 0.004180 0.002496 79 S 5 YZ 0.001667 -0.003769 0.000351 -0.000654 -0.002443 80 S 5 XX -0.002411 0.001952 0.001645 0.002104 -0.000311 81 S 5 YY 0.003240 0.002675 0.004046 0.000263 0.001178 82 S 5 ZZ -0.000829 -0.004626 -0.005691 -0.002366 -0.000867 83 S 5 XY 0.000124 -0.003158 -0.003293 -0.000789 -0.000898 84 S 5 XZ -0.003247 0.004270 -0.001206 0.005238 0.002549 85 S 5 YZ 0.001978 -0.005411 -0.000153 0.000570 -0.003388 86 H 6 S -0.024706 -0.001168 -0.008826 -0.001415 -0.005361 87 H 6 S -0.035840 0.038851 0.006730 -0.043753 -0.019057 88 H 6 X 0.013804 0.003010 0.017748 -0.002722 -0.007506 89 H 6 Y -0.010603 0.001679 -0.008419 -0.003393 0.000714 90 H 6 Z 0.000166 -0.000638 -0.004344 -0.003470 -0.000002 91 C 7 S 0.008179 0.023512 0.023830 0.049253 0.028645 92 C 7 S 0.009321 0.035463 0.039783 0.087471 0.047237 93 C 7 S -0.276881 -0.919124 -0.746768 -1.951842 -1.015035 94 C 7 X 0.018767 0.027823 -0.001078 0.009926 0.016779 95 C 7 Y 0.025356 0.001911 0.011196 0.014927 0.015321 96 C 7 Z 0.004933 -0.005213 -0.005355 0.001868 -0.012034 97 C 7 X 0.625995 -0.042866 0.627647 1.185962 0.319850 98 C 7 Y -0.093713 0.776368 0.087254 0.659302 0.512100 99 C 7 Z -0.099742 0.040208 -0.068250 -0.222505 -0.043760 100 C 7 XX -0.015074 -0.019834 -0.023066 0.012748 0.001179 101 C 7 YY -0.007403 -0.004534 0.011747 -0.030802 -0.024540 102 C 7 ZZ 0.022477 0.024368 0.011319 0.018054 0.023361 103 C 7 XY -0.033671 -0.021558 -0.012573 -0.064214 -0.033778 104 C 7 XZ 0.001484 0.004897 0.021367 -0.009501 0.009371 105 C 7 YZ 0.000645 -0.004409 0.010877 0.009764 0.002732 106 C 8 S 0.005660 -0.001375 0.007922 0.014105 0.006762 107 C 8 S 0.008051 -0.001461 0.012869 0.023539 0.011972 108 C 8 S -0.206632 0.155625 -0.125658 -0.182399 -0.022116 109 C 8 X -0.004730 0.004192 -0.004207 -0.005803 -0.003302 110 C 8 Y 0.003576 -0.008972 -0.004231 -0.002884 -0.003784 111 C 8 Z 0.000897 -0.002447 0.000015 0.000384 -0.000229 112 C 8 X 0.024718 -0.011621 0.020296 0.076196 0.072470 113 C 8 Y 0.176223 -0.028216 0.177919 0.263294 0.085907 114 C 8 Z 0.016042 -0.000239 0.019041 0.024505 0.002980 115 C 8 XX 0.003804 -0.004742 0.002099 0.000156 -0.002681 116 C 8 YY -0.010545 0.005847 -0.010161 -0.013340 -0.003297 117 C 8 ZZ 0.006740 -0.001105 0.008062 0.013184 0.005978 118 C 8 XY -0.001327 -0.004912 0.001197 -0.011794 -0.007440 119 C 8 XZ 0.002433 0.000765 0.001604 0.001672 0.000152 120 C 8 YZ -0.002201 0.003565 -0.003491 -0.003521 0.000828 121 C 9 S 0.013057 -0.046486 -0.000537 0.023058 -0.003594 122 C 9 S 0.021288 -0.080930 -0.001033 0.040578 -0.006566 123 C 9 S -0.535649 0.852246 -0.195321 -0.278682 0.127300 124 C 9 X 0.014209 -0.013246 0.004578 0.001677 -0.005796 125 C 9 Y 0.013584 0.001950 0.006582 -0.001536 0.001329 126 C 9 Z 0.003705 0.002870 0.003372 -0.004746 0.003969 127 C 9 X -0.035356 -0.178856 -0.050407 0.067525 -0.093264 128 C 9 Y -0.414822 -0.012127 -0.232294 -0.363450 -0.095845 129 C 9 Z -0.231536 0.273560 -0.132525 -0.000176 0.085430 130 C 9 XX -0.002935 0.008927 0.007793 -0.007667 0.005188 131 C 9 YY 0.006523 0.002003 -0.001592 -0.005480 -0.004963 132 C 9 ZZ -0.003588 -0.010930 -0.006201 0.013147 -0.000225 133 C 9 XY -0.002991 -0.010719 -0.016662 0.020549 0.000857 134 C 9 XZ -0.001164 -0.004967 -0.002702 0.003471 -0.002630 135 C 9 YZ -0.003583 -0.003783 -0.001610 -0.007933 -0.002514 136 C 10 S -0.023097 -0.048407 -0.072899 0.082968 -0.004115 137 C 10 S -0.041570 -0.072316 -0.134323 0.151134 -0.007882 138 C 10 S 0.680306 1.691358 1.095902 -0.617224 -0.013766 139 C 10 X 0.047605 -0.024506 0.030503 -0.060405 0.006089 140 C 10 Y -0.031383 -0.012095 -0.003125 0.033453 0.018454 141 C 10 Z -0.019082 0.003667 0.004166 0.008169 0.007457 142 C 10 X -0.367267 0.844722 0.143962 2.381331 1.247811 143 C 10 Y 0.833193 -0.837936 0.757353 1.687662 0.199134 144 C 10 Z 0.038758 -0.228627 -0.129190 -0.350901 -0.112524 145 C 10 XX 0.064334 -0.004281 0.064482 0.044156 0.018556 146 C 10 YY -0.041861 0.045801 -0.025530 -0.094804 -0.012261 147 C 10 ZZ -0.022472 -0.041521 -0.038952 0.050648 -0.006295 148 C 10 XY 0.060983 0.033545 -0.004304 0.015606 0.049394 149 C 10 XZ -0.024025 -0.010226 0.048405 0.004454 -0.040386 150 C 10 YZ -0.027549 -0.006557 -0.003237 -0.039788 0.026669 151 C 11 S -0.078559 0.050418 -0.080581 -0.047741 -0.011943 152 C 11 S -0.131789 0.080374 -0.148686 -0.079344 -0.023960 153 C 11 S 2.197353 -1.303436 0.845189 0.937564 -0.204210 154 C 11 X 0.030049 0.024091 0.040746 0.007979 0.037808 155 C 11 Y 0.031220 0.007358 0.035711 0.031838 -0.000311 156 C 11 Z -0.011949 -0.014205 -0.000495 -0.016109 0.006059 157 C 11 X 0.831143 -0.248451 -0.992476 -2.034392 -0.607597 158 C 11 Y -0.320107 -1.122800 -0.299884 1.271211 0.274318 159 C 11 Z 0.085390 0.128160 -0.047123 0.151898 0.187518 160 C 11 XX 0.085269 0.026082 -0.005014 -0.056388 0.018021 161 C 11 YY -0.023383 -0.063117 0.052954 0.090934 0.008853 162 C 11 ZZ -0.061886 0.037035 -0.047940 -0.034547 -0.026874 163 C 11 XY -0.035771 0.001193 0.034798 -0.020615 -0.030522 164 C 11 XZ -0.006132 -0.027624 0.045666 -0.015743 -0.058903 165 C 11 YZ -0.003693 0.011304 -0.006232 0.006298 -0.026905 166 C 12 S 0.031666 0.109733 0.055507 -0.088318 -0.160604 167 C 12 S 0.064177 0.208402 0.099629 -0.169157 -0.296665 168 C 12 S -0.534990 -0.563488 -0.441806 1.394501 1.896867 169 C 12 X -0.023270 -0.016962 -0.012950 0.060317 0.023961 170 C 12 Y 0.025647 -0.025508 -0.029196 0.034047 0.010373 171 C 12 Z 0.012229 -0.029865 0.014393 0.017511 -0.051345 172 C 12 X -0.402706 0.469418 -0.252588 0.471544 0.175607 173 C 12 Y -0.133957 0.338038 -0.257326 -0.457794 -0.314577 174 C 12 Z 0.073038 0.223538 0.233893 0.135408 -0.434684 175 C 12 XX 0.033742 0.060261 -0.021400 0.003543 -0.036866 176 C 12 YY -0.006131 -0.049151 0.026740 -0.009235 -0.011193 177 C 12 ZZ -0.027611 -0.011110 -0.005340 0.005692 0.048060 178 C 12 XY 0.064770 0.005572 -0.008112 -0.009170 -0.000367 179 C 12 XZ 0.024290 -0.024586 0.010228 0.028886 -0.017271 180 C 12 YZ 0.029442 -0.028639 -0.003735 0.022557 0.024025 181 C 13 S -0.028146 -0.019046 0.128692 -0.093961 0.188827 182 C 13 S -0.058276 -0.040428 0.251050 -0.177024 0.347392 183 C 13 S 0.115871 0.004076 -0.766399 0.679351 -1.776966 184 C 13 X 0.039085 0.003527 0.029016 0.005188 -0.011052 185 C 13 Y 0.006298 0.013796 -0.028013 -0.102162 -0.034066 186 C 13 Z -0.015530 -0.015703 0.025632 -0.041620 0.050296 187 C 13 X 0.227837 -0.012499 -0.224704 0.231689 -0.360010 188 C 13 Y -0.071953 0.768403 0.170648 0.045724 0.012501 189 C 13 Z -0.248640 0.008371 -0.019095 -0.063350 0.015863 190 C 13 XX 0.070348 0.020480 -0.040524 0.023958 -0.049766 191 C 13 YY -0.072177 -0.027045 0.058420 -0.013999 0.008649 192 C 13 ZZ 0.001829 0.006564 -0.017896 -0.009959 0.041117 193 C 13 XY 0.002907 0.066750 0.022562 0.056045 0.011703 194 C 13 XZ -0.017504 -0.000972 -0.017075 -0.002131 0.037629 195 C 13 YZ -0.025529 0.041942 0.018643 0.017253 0.007550 196 C 14 S 0.047666 -0.130525 0.039758 0.114752 -0.081250 197 C 14 S 0.092090 -0.241030 0.071001 0.215231 -0.145767 198 C 14 S -0.311903 0.879544 -0.681298 -1.610900 0.681104 199 C 14 X -0.026673 0.018587 -0.033732 -0.041987 -0.007908 200 C 14 Y -0.011742 -0.044368 0.031879 0.013866 0.005568 201 C 14 Z 0.008515 0.020292 0.021633 0.013819 -0.054669 202 C 14 X -0.117374 -0.478417 -0.563739 -0.196388 -0.211898 203 C 14 Y -0.014571 0.420718 0.044986 -0.590901 0.119954 204 C 14 Z 0.017441 -0.208810 0.069517 -0.068794 -0.546907 205 C 14 XX 0.045689 -0.026511 -0.054480 0.020023 -0.026177 206 C 14 YY -0.010322 0.043611 0.050406 -0.003403 0.002666 207 C 14 ZZ -0.035367 -0.017100 0.004074 -0.016620 0.023511 208 C 14 XY -0.045957 -0.040490 -0.004299 -0.007818 -0.014794 209 C 14 XZ 0.004799 0.024823 -0.000327 -0.018475 -0.026043 210 C 14 YZ 0.002886 -0.028205 0.019417 0.033153 -0.039280 211 F 15 S 0.001713 -0.031145 0.025881 0.032948 -0.023752 212 F 15 S 0.005192 -0.064261 0.055239 0.067202 -0.054628 213 F 15 S 0.007740 0.148259 -0.106790 -0.203034 0.022634 214 F 15 X 0.004593 -0.002217 0.008840 -0.004124 -0.014055 215 F 15 Y 0.020478 0.010894 -0.024356 -0.001314 0.029552 216 F 15 Z -0.012089 0.002574 0.001158 -0.005092 0.010986 217 F 15 X 0.009612 -0.004182 -0.007183 -0.011491 0.024213 218 F 15 Y -0.033768 -0.045429 0.068853 0.029283 -0.051133 219 F 15 Z 0.001805 -0.058129 -0.000974 0.059715 0.036093 220 F 15 XX -0.477789 0.143637 -0.201519 0.117728 -0.034046 221 F 15 YY 0.555535 -0.061507 0.151381 -0.146679 0.033368 222 F 15 ZZ -0.077746 -0.082130 0.050138 0.028951 0.000678 223 F 15 XY -0.175984 -0.170403 0.138068 -0.616379 -0.006252 224 F 15 XZ -0.066342 -0.106181 0.052727 0.065581 -0.099139 225 F 15 YZ 0.090880 -0.060085 -0.203780 -0.118818 0.296982 226 F 16 S 0.005327 -0.027940 -0.060516 -0.002405 0.083019 227 F 16 S 0.015206 -0.056694 -0.125501 -0.004200 0.171422 228 F 16 S 0.047995 0.157566 0.305719 0.035193 -0.427462 229 F 16 X 0.006932 -0.005105 -0.006459 0.002870 0.014006 230 F 16 Y -0.022469 0.000681 0.012351 -0.016316 -0.021249 231 F 16 Z 0.004816 0.002310 0.017409 0.004169 -0.027259 232 F 16 X 0.009878 0.012163 0.041078 -0.029182 -0.060506 233 F 16 Y 0.020445 -0.060847 -0.072627 0.047662 0.154533 234 F 16 Z 0.011323 0.008076 -0.015293 -0.007539 0.035157 235 F 16 XX -0.262616 0.112787 -0.238724 0.107735 -0.011447 236 F 16 YY 0.034664 -0.164322 0.233555 -0.118252 -0.147145 237 F 16 ZZ 0.227952 0.051534 0.005168 0.010517 0.158592 238 F 16 XY 0.007596 -0.162837 -0.060080 -0.264095 0.211427 239 F 16 XZ -0.042811 -0.247481 0.090301 -0.278583 0.119446 240 F 16 YZ 0.115042 -0.066836 0.289573 -0.076440 -0.231881 241 F 17 S 0.004398 0.045692 -0.043173 -0.014932 0.087625 242 F 17 S 0.011867 0.095231 -0.091031 -0.031695 0.181779 243 F 17 S 0.026536 -0.216712 0.192657 0.061290 -0.439237 244 F 17 X 0.002520 0.007372 -0.000390 -0.008935 0.011200 245 F 17 Y 0.011668 0.015474 -0.024886 -0.015001 0.029084 246 F 17 Z 0.002052 -0.000249 0.005145 -0.005110 -0.027133 247 F 17 X 0.007091 -0.007772 0.027501 0.032776 -0.022829 248 F 17 Y -0.008116 -0.094980 0.074175 0.070080 -0.149644 249 F 17 Z 0.014542 -0.021540 0.003570 0.019687 0.024633 250 F 17 XX -0.206259 -0.116078 -0.210307 0.110565 -0.011489 251 F 17 YY 0.058814 0.065160 0.343132 0.007936 -0.275937 252 F 17 ZZ 0.147445 0.050918 -0.132826 -0.118501 0.287427 253 F 17 XY 0.110957 -0.152736 -0.266217 -0.110333 -0.350629 254 F 17 XZ -0.183623 0.078607 0.263524 0.051940 0.110079 255 F 17 YZ -0.117708 -0.019627 -0.130732 0.049274 0.087835 256 F 18 S -0.013104 0.032597 0.017615 -0.027868 -0.054599 257 F 18 S -0.024958 0.067653 0.037597 -0.055397 -0.116986 258 F 18 S 0.086843 -0.155409 -0.060326 0.188524 0.215640 259 F 18 X 0.008521 0.003275 0.005412 0.007029 -0.008518 260 F 18 Y -0.012309 0.003693 0.024669 0.000974 -0.036952 261 F 18 Z -0.016921 -0.009531 0.011658 0.000070 0.000619 262 F 18 X -0.001980 0.000961 0.008537 0.000251 0.031998 263 F 18 Y 0.040831 -0.045463 -0.059638 0.049125 0.083423 264 F 18 Z -0.004928 0.064589 -0.022744 -0.056219 0.008385 265 F 18 XX -0.305889 -0.246857 -0.062704 0.172388 -0.049706 266 F 18 YY 0.412384 0.237504 -0.042856 -0.111109 0.254410 267 F 18 ZZ -0.106495 0.009353 0.105560 -0.061280 -0.204704 268 F 18 XY -0.009285 -0.055359 -0.543579 -0.364244 -0.208591 269 F 18 XZ -0.101969 0.044678 -0.064809 -0.067856 -0.116743 270 F 18 YZ 0.072904 -0.047147 0.056121 -0.072755 -0.349906 271 C 19 S -0.003004 0.005502 -0.000475 0.006142 0.004488 272 C 19 S -0.005785 0.010056 -0.001399 0.011606 0.008311 273 C 19 S -0.049149 -0.033967 -0.077641 -0.143242 -0.077494 274 C 19 X -0.001180 0.001423 0.000705 -0.001436 0.000433 275 C 19 Y 0.000305 0.000883 0.001173 -0.001121 -0.000597 276 C 19 Z 0.000387 -0.000059 0.000471 -0.000147 -0.000126 277 C 19 X 0.003985 0.013319 0.006299 0.038250 0.015474 278 C 19 Y -0.001827 0.019449 0.013604 0.033227 0.024782 279 C 19 Z 0.006997 0.007296 0.006481 0.014699 0.012443 280 C 19 XX -0.003654 -0.001235 -0.003183 -0.003070 0.001498 281 C 19 YY 0.003795 -0.000693 0.002819 0.003492 -0.000232 282 C 19 ZZ -0.000140 0.001928 0.000364 -0.000421 -0.001265 283 C 19 XY 0.004129 -0.004719 0.001839 0.002069 0.000342 284 C 19 XZ 0.000055 0.000119 -0.000411 -0.000232 0.000402 285 C 19 YZ 0.001985 0.001364 0.000954 0.001735 0.001113 286 H 20 S 0.005403 0.002074 0.008206 0.006002 0.001610 287 H 20 S 0.006640 -0.005807 0.006289 -0.005118 -0.000999 288 H 20 X -0.004950 0.001933 -0.004034 -0.001770 0.001169 289 H 20 Y -0.001389 0.002524 0.000239 0.000907 0.001094 290 H 20 Z -0.001155 -0.000510 -0.000566 -0.001032 -0.001178 291 H 21 S -0.000085 0.004646 -0.000021 0.006973 0.006174 292 H 21 S 0.007877 -0.001103 0.005915 0.005030 0.002711 293 H 21 X 0.002344 0.000768 0.003228 0.001812 0.001251 294 H 21 Y 0.001534 -0.001130 0.001164 0.001639 -0.000893 295 H 21 Z 0.002979 -0.001499 0.001991 0.002295 0.000900 296 C 22 S 0.001028 -0.003158 -0.009615 -0.000587 0.001027 297 C 22 S 0.000803 -0.006229 -0.019035 -0.001449 0.001965 298 C 22 S -0.110214 -0.022236 0.032500 0.069974 0.023658 299 C 22 X -0.001331 0.001112 0.001977 0.000637 -0.000482 300 C 22 Y -0.004086 -0.001958 -0.004888 -0.001703 0.000022 301 C 22 Z 0.000392 -0.000773 -0.000314 -0.000867 -0.000730 302 C 22 X 0.037532 -0.001861 0.001273 0.002372 0.005045 303 C 22 Y -0.009127 -0.003854 0.036222 0.025425 0.007422 304 C 22 Z 0.000967 -0.000532 0.001412 -0.005823 -0.000713 305 C 22 XX -0.003023 -0.000067 -0.000045 0.001289 0.000281 306 C 22 YY 0.012502 0.002142 0.006114 -0.005198 -0.001948 307 C 22 ZZ -0.009478 -0.002075 -0.006069 0.003908 0.001667 308 C 22 XY 0.005603 0.000049 0.001089 0.001245 0.000677 309 C 22 XZ 0.001177 -0.000192 -0.000934 -0.001251 -0.000591 310 C 22 YZ 0.000728 -0.000009 0.002098 -0.000987 -0.000466 311 H 23 S -0.000233 -0.001166 -0.004098 0.001785 0.001414 312 H 23 S 0.020809 0.002148 0.023719 0.006322 0.001030 313 H 23 X -0.001189 -0.001535 -0.001946 0.001544 0.000693 314 H 23 Y -0.002252 0.001497 0.003127 -0.000042 -0.000847 315 H 23 Z -0.000272 0.000005 0.000790 0.000372 -0.000408 316 H 24 S 0.008296 0.000726 0.001300 -0.001666 -0.000832 317 H 24 S -0.003781 0.003063 -0.000364 0.003152 0.001391 318 H 24 X -0.002922 0.000000 -0.001540 -0.002998 -0.001837 319 H 24 Y -0.001626 0.000093 -0.000956 0.001826 0.001572 320 H 24 Z -0.003021 -0.001847 -0.002368 0.002239 0.001074 321 H 25 S 0.010928 0.000869 0.000453 -0.006576 -0.002252 322 H 25 S 0.002722 -0.002127 0.000859 -0.007456 -0.004578 323 H 25 X -0.004806 0.001331 -0.001568 0.000217 0.000108 324 H 25 Y -0.000606 -0.001905 0.000391 -0.000147 -0.000556 325 H 25 Z 0.004480 0.000777 0.001940 -0.003383 -0.002064 326 C 26 S 0.005668 -0.013164 0.004663 0.005776 -0.008869 327 C 26 S 0.010135 -0.023453 0.008884 0.012437 -0.016366 328 C 26 S -0.118011 0.090683 -0.080209 0.002623 0.050643 329 C 26 X -0.002608 0.003454 0.000448 -0.000078 0.000845 330 C 26 Y -0.003513 -0.007232 -0.006959 -0.005379 -0.003649 331 C 26 Z -0.001672 -0.007265 -0.002140 0.002508 -0.004112 332 C 26 X -0.021107 0.028877 0.006893 0.016051 -0.012500 333 C 26 Y 0.015835 0.036369 0.001311 0.019880 0.026905 334 C 26 Z -0.058667 0.035880 -0.051063 -0.024392 0.034583 335 C 26 XX 0.005398 0.007994 0.011655 0.016234 0.002355 336 C 26 YY 0.000838 -0.005570 -0.003239 -0.004394 -0.003392 337 C 26 ZZ -0.006236 -0.002424 -0.008416 -0.011840 0.001037 338 C 26 XY 0.015731 -0.011598 0.004505 -0.001355 -0.000648 339 C 26 XZ 0.012016 -0.008424 0.002116 -0.006201 0.000096 340 C 26 YZ 0.018935 0.010874 0.013773 0.015910 0.009044 341 H 27 S -0.015809 0.002950 -0.003113 -0.002628 -0.010418 342 H 27 S -0.011466 0.023775 -0.016681 0.000467 0.019852 343 H 27 X -0.009964 -0.003229 -0.009818 -0.006067 -0.003370 344 H 27 Y -0.013924 0.001314 -0.006448 -0.007158 -0.005808 345 H 27 Z -0.001112 -0.001918 -0.005162 -0.001824 0.002583 346 H 28 S 0.014056 -0.000791 0.012149 0.011624 -0.002168 347 H 28 S -0.015296 -0.006231 -0.006157 -0.017768 -0.009484 348 H 28 X 0.006906 -0.001731 0.002078 0.004457 0.005720 349 H 28 Y -0.005984 -0.005546 -0.007064 -0.007709 -0.004465 350 H 28 Z 0.002913 0.000934 0.001772 0.002713 -0.002641 351 H 29 S 0.014231 -0.018115 -0.003166 -0.019551 -0.000740 352 H 29 S 0.005217 -0.002755 -0.007211 -0.014543 0.015262 353 H 29 X -0.003800 0.008555 0.003514 0.008720 0.000612 354 H 29 Y 0.001555 -0.006280 -0.002838 -0.006622 0.000212 355 H 29 Z -0.001087 0.000472 -0.000627 -0.006074 0.000250 356 C 30 S -0.002177 0.009427 -0.001842 -0.003374 0.007963 357 C 30 S -0.003313 0.017674 -0.004285 -0.007320 0.015445 358 C 30 S -0.084499 -0.037980 -0.066770 -0.059274 -0.034542 359 C 30 X 0.000655 -0.001146 -0.005279 0.003307 0.003296 360 C 30 Y 0.008670 -0.003923 0.002468 -0.000899 -0.004449 361 C 30 Z 0.005374 -0.008129 0.004581 0.005497 -0.005585 362 C 30 X -0.007002 -0.032088 -0.034976 -0.019847 0.014729 363 C 30 Y -0.017669 0.030226 0.000827 -0.004616 0.010873 364 C 30 Z 0.051925 0.012070 0.024997 0.005978 0.017089 365 C 30 XX 0.016502 -0.000275 -0.004654 -0.008463 0.000059 366 C 30 YY -0.005449 -0.003739 -0.001159 0.004320 0.003012 367 C 30 ZZ -0.011054 0.004014 0.005813 0.004143 -0.003071 368 C 30 XY 0.003963 -0.006029 -0.018717 0.000807 0.008914 369 C 30 XZ -0.005620 -0.002108 -0.019013 0.005337 0.012479 370 C 30 YZ 0.017509 -0.004230 0.014643 -0.005982 -0.010343 371 H 31 S 0.007970 0.003250 0.009089 -0.007142 -0.002419 372 H 31 S -0.014365 0.009286 0.000745 0.004687 0.003522 373 H 31 X 0.005276 0.001637 0.005663 -0.002767 -0.006044 374 H 31 Y 0.011624 -0.000540 0.004270 -0.003202 -0.004667 375 H 31 Z 0.001318 0.000357 -0.001945 0.003637 -0.000082 376 H 32 S -0.006218 -0.002140 -0.016215 0.004886 0.014273 377 H 32 S -0.017710 -0.022376 -0.016475 0.001538 0.000158 378 H 32 X -0.007995 0.002000 -0.023448 0.006387 0.017904 379 H 32 Y 0.010426 0.005144 0.007282 -0.004007 -0.004555 380 H 32 Z 0.003871 -0.003940 -0.007264 0.000294 0.004374 381 H 33 S -0.005115 0.006950 0.021113 0.011604 -0.006762 382 H 33 S 0.004496 0.008415 0.013661 0.018459 -0.010236 383 H 33 X 0.004460 -0.001992 -0.005809 -0.002167 0.002810 384 H 33 Y 0.003822 -0.003625 -0.010351 -0.003401 0.004730 385 H 33 Z 0.003541 -0.000038 -0.000818 -0.003530 0.001093 386 H 34 S -0.003262 0.000326 -0.002082 0.002885 0.002814 387 H 34 S -0.000524 -0.003324 0.000217 -0.003248 -0.005644 388 H 34 X 0.001644 -0.001105 0.002983 0.000543 -0.000294 389 H 34 Y 0.003662 -0.000423 0.002774 0.003276 0.000292 390 H 34 Z -0.000805 0.001624 -0.000470 -0.000736 -0.000130 391 F 35 S -0.035231 -0.008554 0.005259 -0.005391 -0.037766 392 F 35 S -0.075321 -0.018473 0.012262 -0.012860 -0.073678 393 F 35 S 0.150054 0.032518 0.008963 0.002045 0.248362 394 F 35 X -0.021694 -0.006527 0.003055 -0.007202 0.016778 395 F 35 Y 0.002084 -0.001468 0.004197 0.012104 0.004841 396 F 35 Z -0.015568 -0.006234 0.018385 -0.005518 -0.006116 397 F 35 X 0.037529 0.010988 0.020644 -0.012947 0.078523 398 F 35 Y -0.002073 -0.034271 -0.016716 -0.032471 -0.000922 399 F 35 Z 0.041463 0.013773 -0.049601 0.023433 -0.025022 400 F 35 XX 0.183827 0.029929 -0.108315 0.113065 -0.126773 401 F 35 YY -0.023264 -0.019754 -0.096904 0.081208 -0.104663 402 F 35 ZZ -0.160562 -0.010175 0.205219 -0.194273 0.231436 403 F 35 XY -0.050565 0.316538 0.026744 -0.105645 -0.032794 404 F 35 XZ 0.149230 0.048875 -0.061919 0.063676 0.046761 405 F 35 YZ -0.064937 0.410277 -0.068261 -0.323112 -0.134186 406 F 36 S 0.041356 0.018007 -0.071556 0.044674 -0.049188 407 F 36 S 0.085001 0.037678 -0.149049 0.092334 -0.098596 408 F 36 S -0.223509 -0.081407 0.324441 -0.233181 0.325975 409 F 36 X 0.021129 0.010903 -0.032816 0.010009 0.010904 410 F 36 Y 0.002574 -0.008912 -0.002973 0.004735 0.000395 411 F 36 Z -0.004533 0.000623 -0.008768 0.005056 0.000709 412 F 36 X -0.054454 -0.023006 0.087647 -0.031818 -0.013234 413 F 36 Y 0.005281 -0.014300 -0.010111 -0.012018 -0.009341 414 F 36 Z -0.036713 -0.020745 0.105255 -0.066008 0.088378 415 F 36 XX -0.079469 -0.085682 -0.028384 -0.006246 0.343445 416 F 36 YY 0.080933 0.047223 0.076238 0.008601 -0.358866 417 F 36 ZZ -0.001464 0.038459 -0.047854 -0.002355 0.015421 418 F 36 XY -0.070692 0.589284 0.048173 -0.136649 0.029657 419 F 36 XZ -0.323496 -0.076795 0.249084 -0.140439 0.069242 420 F 36 YZ -0.070928 0.231090 0.069353 -0.029285 -0.021244 421 C 37 S -0.014218 0.017057 -0.001340 -0.004714 0.001059 422 C 37 S -0.022217 0.027971 -0.000080 -0.007940 0.001885 423 C 37 S 0.516843 -0.264011 0.301441 0.343390 0.067548 424 C 37 X -0.005192 0.000401 -0.008632 -0.000750 0.002128 425 C 37 Y -0.004689 0.004011 0.000409 0.004420 0.002251 426 C 37 Z -0.001417 -0.002758 0.000184 -0.003095 -0.002896 427 C 37 X -0.214488 0.160977 -0.091577 -0.119913 -0.020226 428 C 37 Y -0.000387 0.013444 0.022257 0.052683 -0.015998 429 C 37 Z -0.016378 -0.024595 -0.009472 -0.012588 -0.010314 430 C 37 XX 0.009151 -0.007640 -0.000726 0.000361 0.005042 431 C 37 YY 0.007730 -0.012318 0.005757 0.000083 -0.006832 432 C 37 ZZ -0.016881 0.019958 -0.005031 -0.000444 0.001790 433 C 37 XY -0.001521 0.000176 0.001856 -0.009516 -0.004397 434 C 37 XZ 0.002474 0.005394 0.002694 0.005495 0.001158 435 C 37 YZ 0.004340 0.003733 0.001313 -0.000728 0.003130 436 S 38 S -0.002732 0.002471 -0.002303 0.001781 -0.000090 437 S 38 S -0.018864 0.017198 -0.016147 0.014038 0.000008 438 S 38 S -0.020622 0.019585 -0.018722 0.021792 0.002780 439 S 38 S 0.127887 -0.276217 0.080994 -0.095211 -0.077279 440 S 38 X 0.000498 0.000094 0.001569 -0.002965 -0.000482 441 S 38 Y -0.002243 0.007656 -0.000668 -0.001029 0.001433 442 S 38 Z 0.000704 0.000661 0.000787 0.002250 -0.000648 443 S 38 X 0.002174 0.000307 0.005239 -0.009925 -0.001893 444 S 38 Y -0.009178 0.023996 -0.002957 -0.006243 0.001840 445 S 38 Z 0.002673 0.002566 0.002543 0.008408 -0.002631 446 S 38 X -0.053965 -0.003209 -0.074985 -0.038886 0.012243 447 S 38 Y -0.080035 0.102745 -0.070899 0.018846 0.033160 448 S 38 Z 0.002892 -0.004461 -0.003544 0.008042 0.012687 449 S 38 XX -0.001871 0.000337 -0.001578 -0.001003 0.001556 450 S 38 YY 0.008341 -0.002452 0.005678 0.007253 0.003946 451 S 38 ZZ -0.006471 0.002116 -0.004101 -0.006251 -0.005502 452 S 38 XY 0.009422 -0.003338 0.011122 0.010019 0.001425 453 S 38 XZ 0.000654 -0.000998 0.000279 0.001666 -0.000097 454 S 38 YZ -0.002371 0.000297 0.000143 -0.004819 -0.001184 455 S 38 XX -0.002282 -0.000225 -0.002683 -0.001220 0.002234 456 S 38 YY 0.007251 -0.000153 0.006664 0.001181 0.001428 457 S 38 ZZ -0.004969 0.000378 -0.003981 0.000039 -0.003662 458 S 38 XY 0.006994 -0.003399 0.011777 0.001301 -0.001493 459 S 38 XZ 0.001433 -0.001056 0.000204 0.004459 -0.001654 460 S 38 YZ -0.002838 0.000800 0.001531 -0.004927 -0.002706 461 H 39 S -0.012098 0.004659 -0.005122 -0.005697 -0.005474 462 H 39 S 0.041211 -0.034248 0.013621 0.017372 0.000448 463 H 39 X 0.011506 -0.010544 0.002189 0.006673 0.003474 464 H 39 Y 0.003025 -0.007333 -0.001399 0.000460 -0.000917 465 H 39 Z 0.002782 -0.000841 0.000758 0.001251 -0.000290 411 412 413 414 415 4.0525 4.0599 4.0627 4.1706 4.1975 A A A A A 1 C 1 S -0.009676 -0.003118 0.014288 -0.002151 0.019664 2 C 1 S -0.014229 -0.006749 0.024777 -0.003033 0.034119 3 C 1 S 0.135507 0.057095 -0.127264 -0.022882 -0.199010 4 C 1 X -0.014572 0.005260 -0.002113 -0.001256 -0.002191 5 C 1 Y -0.010571 0.006741 0.003016 -0.005706 0.000172 6 C 1 Z -0.000736 -0.001462 0.001206 -0.001107 -0.000468 7 C 1 X -0.074993 -0.064910 0.131957 0.021378 0.150811 8 C 1 Y 0.268235 -0.109570 -0.110142 0.109798 -0.088232 9 C 1 Z 0.017704 0.014184 -0.018342 0.001612 -0.008258 10 C 1 XX 0.013055 0.000323 -0.007053 -0.000497 -0.010728 11 C 1 YY -0.000168 -0.000896 -0.004822 0.003325 -0.006054 12 C 1 ZZ -0.012887 0.000573 0.011875 -0.002828 0.016782 13 C 1 XY -0.020291 0.001354 0.013990 -0.007350 0.017516 14 C 1 XZ -0.001268 -0.002948 0.001855 0.002029 0.001634 15 C 1 YZ 0.000472 0.000273 -0.001365 0.001636 -0.001207 16 C 2 S 0.015641 -0.010127 0.005907 0.001420 0.000896 17 C 2 S 0.025055 -0.016685 0.012924 0.002263 0.007649 18 C 2 S -0.851533 0.503126 -0.005302 -0.330129 0.106840 19 C 2 X 0.004517 -0.000422 -0.000146 0.002370 -0.004062 20 C 2 Y -0.006755 0.014628 -0.001511 -0.007070 0.003836 21 C 2 Z 0.005038 0.002340 -0.002418 -0.000718 0.000511 22 C 2 X 0.161844 -0.203128 0.067368 0.148349 0.076492 23 C 2 Y -0.384775 0.317045 -0.063975 -0.188374 -0.083124 24 C 2 Z -0.022672 -0.012486 0.004886 -0.007121 -0.012824 25 C 2 XX -0.026700 0.002048 0.002663 0.000701 0.004386 26 C 2 YY 0.019351 0.007035 -0.000513 0.003300 0.013355 27 C 2 ZZ 0.007349 -0.009083 -0.002149 -0.004001 -0.017741 28 C 2 XY 0.004998 -0.012495 0.012819 0.000332 0.026405 29 C 2 XZ 0.007579 -0.004219 -0.001482 0.004396 -0.000855 30 C 2 YZ -0.000272 -0.011817 0.007187 -0.007478 0.002782 31 C 3 S -0.020117 0.007620 0.013126 -0.002506 -0.007877 32 C 3 S -0.031220 0.014525 0.019777 -0.002306 -0.023010 33 C 3 S 0.539177 -0.025831 -1.048399 0.412334 -0.303755 34 C 3 X -0.016167 -0.011008 0.023439 -0.008279 0.040043 35 C 3 Y 0.046179 -0.012196 -0.009918 0.022854 -0.027927 36 C 3 Z 0.000046 -0.000566 0.006132 -0.002169 0.007386 37 C 3 X -1.068554 0.313477 0.583197 -0.604202 0.428547 38 C 3 Y -1.162089 0.905036 -0.388194 -0.595498 -0.250426 39 C 3 Z -0.095223 0.118905 -0.015239 -0.098150 -0.019783 40 C 3 XX 0.077112 -0.002205 -0.019141 0.025063 -0.018790 41 C 3 YY -0.045567 -0.003637 0.010712 -0.018620 -0.008407 42 C 3 ZZ -0.031545 0.005841 0.008429 -0.006443 0.027197 43 C 3 XY -0.030568 0.010339 0.040444 -0.021315 0.091672 44 C 3 XZ 0.010543 0.013403 -0.002653 0.011983 -0.002402 45 C 3 YZ -0.004209 -0.012113 0.009688 -0.026479 0.000184 46 C 4 S -0.047519 0.041477 0.006944 -0.024550 0.003847 47 C 4 S -0.083237 0.072494 0.010503 -0.041828 0.004133 48 C 4 S 1.144418 -0.779934 -0.024322 0.569935 -0.112304 49 C 4 X -0.023042 0.012512 -0.001730 -0.014118 0.009454 50 C 4 Y 0.003469 0.007767 0.001156 -0.004953 0.003305 51 C 4 Z -0.003701 0.005398 0.001897 -0.004448 -0.000606 52 C 4 X -0.291203 0.228863 -0.003255 -0.172808 0.000706 53 C 4 Y -0.134890 -0.060434 0.038513 -0.069683 0.109638 54 C 4 Z -0.213755 0.056301 -0.061962 -0.046744 0.062021 55 C 4 XX -0.003204 0.003026 -0.005657 0.003153 -0.000061 56 C 4 YY 0.002909 -0.014006 -0.007024 0.005071 -0.004421 57 C 4 ZZ 0.000295 0.010980 0.012681 -0.008224 0.004482 58 C 4 XY 0.014226 -0.016031 -0.001473 0.012003 -0.013606 59 C 4 XZ 0.014785 -0.005153 -0.001604 0.001561 -0.005613 60 C 4 YZ -0.001954 0.007696 -0.007976 0.002258 -0.004510 61 S 5 S 0.003349 -0.002070 -0.000169 0.001096 -0.000674 62 S 5 S 0.023064 -0.014419 -0.001183 0.007491 -0.004581 63 S 5 S 0.025272 -0.016222 -0.001480 0.008029 -0.004939 64 S 5 S -0.198709 0.080782 0.018194 -0.071512 0.058405 65 S 5 X 0.006493 -0.001776 -0.000589 0.002273 -0.002559 66 S 5 Y 0.000503 -0.000334 -0.001888 -0.000105 -0.000976 67 S 5 Z -0.000274 0.000296 0.000256 -0.000260 0.000200 68 S 5 X 0.021596 -0.006337 -0.001793 0.007340 -0.008579 69 S 5 Y 0.000026 -0.000900 -0.005082 -0.001146 -0.002679 70 S 5 Z -0.000668 0.000902 0.001192 -0.000949 0.000478 71 S 5 X 0.083413 -0.031523 -0.008601 0.026958 -0.031759 72 S 5 Y 0.006553 -0.027037 0.022194 0.017097 0.025166 73 S 5 Z -0.000700 -0.011201 0.006718 -0.000044 0.004146 74 S 5 XX -0.003377 0.001353 -0.001913 -0.000195 0.002264 75 S 5 YY -0.002826 0.002874 0.000278 -0.001565 -0.001468 76 S 5 ZZ 0.006203 -0.004227 0.001635 0.001760 -0.000796 77 S 5 XY 0.004983 -0.001637 0.000613 0.002036 0.000630 78 S 5 XZ 0.001643 0.000800 -0.002048 0.001277 -0.000446 79 S 5 YZ 0.002721 -0.000566 -0.000177 0.000892 -0.000660 80 S 5 XX 0.000557 0.000982 -0.002901 0.002412 0.002731 81 S 5 YY -0.003327 0.002716 -0.000249 -0.002438 -0.003463 82 S 5 ZZ 0.002770 -0.003698 0.003150 0.000025 0.000732 83 S 5 XY 0.004941 -0.001546 -0.000925 0.002423 -0.000844 84 S 5 XZ 0.001962 0.002158 -0.003376 0.002312 -0.000954 85 S 5 YZ 0.006196 -0.001232 -0.001148 0.003380 -0.002066 86 H 6 S 0.019754 -0.015766 -0.004733 0.010558 -0.026152 87 H 6 S -0.028021 0.038089 -0.009305 -0.011635 -0.042822 88 H 6 X -0.017295 0.010768 -0.008438 -0.007030 -0.019419 89 H 6 Y 0.012969 -0.003131 -0.001110 0.002106 -0.009833 90 H 6 Z 0.000052 -0.001868 0.001744 -0.002652 0.000908 91 C 7 S -0.009502 -0.004914 -0.011752 0.019301 0.032319 92 C 7 S -0.020445 -0.008428 -0.015251 0.028925 0.062470 93 C 7 S 0.136801 -0.281711 0.694412 -0.680284 -0.288782 94 C 7 X 0.018892 0.013950 -0.023131 0.020960 -0.031675 95 C 7 Y 0.025683 -0.005010 -0.033970 0.027422 -0.032647 96 C 7 Z 0.001301 0.003679 0.000048 0.000609 0.004791 97 C 7 X 0.856917 -0.499681 -0.837645 0.805446 -0.106269 98 C 7 Y -0.572758 0.439250 -0.103179 -0.075357 0.034532 99 C 7 Z -0.180860 -0.023146 0.216882 -0.117615 0.062651 100 C 7 XX -0.043006 0.025930 0.029675 -0.024547 -0.010781 101 C 7 YY 0.031419 -0.016768 -0.005355 -0.001776 0.016135 102 C 7 ZZ 0.011587 -0.009162 -0.024320 0.026322 -0.005354 103 C 7 XY -0.046837 0.008205 0.058462 -0.044000 0.053994 104 C 7 XZ 0.006001 -0.003028 -0.006766 0.004440 0.006488 105 C 7 YZ 0.009976 -0.001750 -0.002378 -0.013180 -0.019433 106 C 8 S 0.012080 -0.006756 -0.016877 0.009274 -0.005958 107 C 8 S 0.019052 -0.010401 -0.028825 0.014907 -0.010349 108 C 8 S -0.250949 0.159536 0.229702 -0.136061 0.072094 109 C 8 X -0.011889 0.008962 0.010847 -0.006364 0.004293 110 C 8 Y 0.006245 -0.002921 -0.001971 -0.000488 -0.000902 111 C 8 Z 0.002140 -0.001749 -0.000169 0.000804 -0.000409 112 C 8 X 0.117886 -0.048125 -0.175097 0.083714 -0.072750 113 C 8 Y 0.215703 -0.166354 -0.195982 0.169353 -0.057082 114 C 8 Z 0.019342 -0.016603 -0.019692 0.013738 -0.007631 115 C 8 XX 0.001952 -0.005573 0.004343 0.001717 0.003778 116 C 8 YY -0.014515 0.014202 0.009236 -0.010934 0.000894 117 C 8 ZZ 0.012563 -0.008628 -0.013580 0.009217 -0.004672 118 C 8 XY 0.002014 -0.004949 0.008284 -0.003753 0.003891 119 C 8 XZ 0.000840 -0.001930 -0.000792 0.001004 -0.000167 120 C 8 YZ -0.005047 0.002320 0.002959 -0.003167 0.000659 121 C 9 S 0.068023 -0.028071 -0.033256 0.027351 -0.019150 122 C 9 S 0.119678 -0.047324 -0.058722 0.048195 -0.031750 123 C 9 S -1.246852 0.774843 0.620617 -0.614197 0.270900 124 C 9 X 0.016833 -0.016362 -0.008978 0.009886 -0.010127 125 C 9 Y -0.000939 -0.011753 -0.003125 0.003156 0.009100 126 C 9 Z -0.010106 -0.001865 0.001310 -0.003102 0.006415 127 C 9 X 0.196474 -0.018608 -0.019239 0.016231 -0.079548 128 C 9 Y -0.171484 0.145063 0.372441 -0.193456 0.072973 129 C 9 Z -0.233915 0.287891 0.073236 -0.126689 -0.003724 130 C 9 XX -0.014264 -0.004559 0.004655 0.007191 0.013150 131 C 9 YY -0.001579 0.001183 0.002919 -0.005862 0.002372 132 C 9 ZZ 0.015843 0.003376 -0.007574 -0.001329 -0.015522 133 C 9 XY 0.007871 -0.004872 0.002346 0.005261 -0.010393 134 C 9 XZ 0.007702 -0.000546 -0.001844 0.003190 -0.001859 135 C 9 YZ 0.002433 -0.005931 0.001982 0.000093 0.004901 136 C 10 S 0.053805 0.031744 0.029449 0.022073 0.025919 137 C 10 S 0.093547 0.065106 0.049532 0.042602 0.041289 138 C 10 S -0.991269 0.305928 -0.568351 -0.185664 -0.526601 139 C 10 X 0.027377 -0.054715 -0.012803 0.000830 0.013798 140 C 10 Y 0.009550 -0.014488 -0.034195 0.016041 -0.051821 141 C 10 Z -0.011610 -0.001965 -0.001420 0.015735 0.009729 142 C 10 X -0.846714 1.082705 -0.483351 -0.069906 0.182111 143 C 10 Y 1.887117 -1.059990 -0.813991 1.653661 0.405115 144 C 10 Z 0.192141 0.122466 -0.251537 0.029135 -0.115577 145 C 10 XX 0.044811 -0.047028 -0.049547 0.069850 -0.100413 146 C 10 YY -0.080691 0.038158 0.040115 -0.093221 0.077182 147 C 10 ZZ 0.035880 0.008870 0.009432 0.023371 0.023231 148 C 10 XY 0.137862 -0.026505 -0.079395 0.085145 -0.101038 149 C 10 XZ -0.018901 -0.048939 0.098258 -0.088657 0.008344 150 C 10 YZ -0.022274 0.007088 0.005445 0.023427 0.033656 151 C 11 S 0.012453 0.024534 0.075879 -0.034165 -0.031709 152 C 11 S 0.027166 0.038406 0.142344 -0.059966 -0.046849 153 C 11 S 0.146222 -0.681879 -0.260965 0.599154 1.117829 154 C 11 X -0.058164 0.024669 -0.052135 0.001872 -0.001925 155 C 11 Y -0.003788 0.021503 -0.002367 0.015646 -0.043105 156 C 11 Z -0.005656 0.001982 -0.000617 -0.026342 -0.002114 157 C 11 X 0.865970 -0.683223 1.436913 0.086484 0.127692 158 C 11 Y 2.395974 -1.289268 -0.612970 1.594034 0.153393 159 C 11 Z -0.059382 -0.306960 0.228334 0.017016 0.120028 160 C 11 XX -0.103686 0.018869 0.023343 -0.063439 0.153686 161 C 11 YY 0.108526 -0.046005 -0.058760 0.084972 -0.120503 162 C 11 ZZ -0.004841 0.027136 0.035417 -0.021533 -0.033182 163 C 11 XY 0.113969 -0.014037 -0.058307 0.038572 -0.085866 164 C 11 XZ 0.026626 0.082063 -0.043378 0.078792 0.003987 165 C 11 YZ -0.002296 0.026759 -0.017434 0.054216 0.016825 166 C 12 S 0.125376 -0.117697 -0.130243 0.048916 -0.064182 167 C 12 S 0.238220 -0.216153 -0.233559 0.080047 -0.131580 168 C 12 S -1.126707 1.602078 0.949538 -0.384102 0.273159 169 C 12 X -0.005079 0.030123 0.003575 0.024273 0.052928 170 C 12 Y -0.002460 -0.017222 -0.005105 0.015067 -0.048981 171 C 12 Z -0.024499 -0.003487 0.063272 -0.084021 -0.019598 172 C 12 X -0.538472 0.210953 -0.056202 -0.611814 -0.085213 173 C 12 Y -0.044470 0.027537 -0.577969 -0.163692 -0.549421 174 C 12 Z -0.086104 -0.311633 0.732985 -0.156191 0.174345 175 C 12 XX 0.035147 -0.017575 -0.013624 -0.022994 0.046619 176 C 12 YY -0.028098 0.020626 0.065307 0.010627 -0.033404 177 C 12 ZZ -0.007049 -0.003051 -0.051683 0.012367 -0.013215 178 C 12 XY 0.022471 0.018984 0.038118 0.033413 -0.102435 179 C 12 XZ 0.007357 -0.037356 -0.008465 -0.102083 -0.059095 180 C 12 YZ 0.022940 -0.042226 -0.032795 -0.019949 -0.008582 181 C 13 S 0.069954 0.067619 0.068769 -0.003983 -0.023805 182 C 13 S 0.127870 0.124201 0.123426 -0.007794 -0.044257 183 C 13 S -0.727122 -0.797251 -0.965100 0.025929 0.155281 184 C 13 X 0.000033 0.006568 0.001486 0.000068 0.007817 185 C 13 Y 0.048914 0.000995 -0.010750 0.034693 -0.030174 186 C 13 Z -0.011626 -0.033287 -0.047585 0.007673 -0.010069 187 C 13 X -0.001300 0.189899 0.124434 0.058124 0.080989 188 C 13 Y 0.202871 -0.056377 0.130079 -0.553121 0.254172 189 C 13 Z -0.353652 -0.687314 -0.752747 -0.059630 -0.034393 190 C 13 XX -0.002130 0.008878 0.005788 0.003561 0.019813 191 C 13 YY 0.017055 0.006124 0.024954 -0.038663 -0.011344 192 C 13 ZZ -0.014925 -0.015002 -0.030742 0.035102 -0.008469 193 C 13 XY 0.016708 -0.035921 0.021556 -0.035609 -0.170005 194 C 13 XZ -0.005248 -0.025718 -0.016956 -0.016154 -0.010595 195 C 13 YZ -0.022574 0.064897 -0.036830 0.204661 -0.045871 196 C 14 S -0.240266 0.007587 -0.044108 -0.047434 0.064028 197 C 14 S -0.446067 0.018734 -0.077050 -0.081386 0.126776 198 C 14 S 2.498969 -0.432759 1.197445 0.384474 -0.317926 199 C 14 X 0.022506 -0.015639 0.041081 -0.031620 -0.038518 200 C 14 Y 0.009119 -0.011958 0.032878 -0.001367 -0.056081 201 C 14 Z 0.044289 0.045187 -0.011100 0.086273 0.015039 202 C 14 X 0.486225 -0.599182 0.033652 0.603060 0.140934 203 C 14 Y 0.284518 0.325828 0.201164 -0.089664 -0.482440 204 C 14 Z 0.207105 0.715000 -0.335025 0.192980 -0.157120 205 C 14 XX -0.047732 0.009667 0.014076 -0.007007 -0.018461 206 C 14 YY 0.034233 0.031310 -0.011434 -0.000878 0.003721 207 C 14 ZZ 0.013499 -0.040978 -0.002642 0.007885 0.014740 208 C 14 XY -0.024077 -0.041651 -0.013051 0.020082 -0.120871 209 C 14 XZ -0.028778 -0.001816 -0.025966 0.132983 0.020047 210 C 14 YZ 0.053238 0.022268 0.013523 -0.009028 0.000919 211 F 15 S -0.053814 -0.029721 0.132327 -0.035976 0.020489 212 F 15 S -0.111060 -0.065361 0.272943 -0.074492 0.040197 213 F 15 S 0.271178 0.065120 -0.707791 0.159221 -0.147383 214 F 15 X 0.006876 0.006657 0.027683 -0.037825 -0.029157 215 F 15 Y 0.025632 0.025869 -0.021880 -0.005300 -0.030176 216 F 15 Z 0.004973 0.012452 0.000161 0.005179 0.005524 217 F 15 X 0.018734 -0.023493 -0.110037 0.140041 0.084108 218 F 15 Y -0.067329 -0.076370 0.098581 0.012171 0.126070 219 F 15 Z -0.078508 -0.001672 0.120793 -0.031209 0.028042 220 F 15 XX -0.221629 0.230275 -0.016338 0.081182 0.036390 221 F 15 YY 0.291875 -0.211230 -0.063116 -0.038606 -0.022666 222 F 15 ZZ -0.070247 -0.019044 0.079454 -0.042575 -0.013724 223 F 15 XY 0.037950 0.292220 0.402588 -0.062310 0.052981 224 F 15 XZ -0.031650 -0.025089 0.137940 -0.341893 -0.304897 225 F 15 YZ 0.262362 0.209928 -0.286791 -0.052125 -0.215611 226 F 16 S 0.020475 0.075816 -0.084645 0.009394 -0.050954 227 F 16 S 0.046182 0.154117 -0.178240 0.019512 -0.103865 228 F 16 S -0.016322 -0.432541 0.388665 -0.028153 0.279094 229 F 16 X 0.003116 -0.005907 -0.016616 0.011000 -0.035742 230 F 16 Y -0.025817 -0.001345 0.027955 -0.001276 -0.022656 231 F 16 Z -0.013175 -0.028255 0.028198 -0.006708 -0.015489 232 F 16 X 0.008664 -0.013109 0.066640 -0.024634 0.127455 233 F 16 Y 0.037666 0.113950 -0.087494 0.009805 0.027649 234 F 16 Z 0.058309 0.018181 -0.084421 0.024618 0.068022 235 F 16 XX -0.186757 0.196995 0.042724 -0.168300 0.048600 236 F 16 YY -0.076134 -0.102536 0.328309 0.064027 -0.117915 237 F 16 ZZ 0.262890 -0.094459 -0.371033 0.104273 0.069315 238 F 16 XY 0.031477 0.111652 -0.077744 0.245072 -0.268486 239 F 16 XZ 0.044417 -0.048217 -0.102712 0.058312 0.206958 240 F 16 YZ 0.057957 -0.302017 0.152120 0.040897 -0.046245 241 F 17 S 0.003502 -0.083212 0.081886 -0.015220 0.043857 242 F 17 S 0.000365 -0.171531 0.169237 -0.031865 0.089767 243 F 17 S -0.142195 0.458549 -0.404957 0.054491 -0.231152 244 F 17 X -0.012350 -0.012784 -0.000178 -0.015783 0.036957 245 F 17 Y -0.027196 -0.016161 0.025421 -0.001956 -0.017229 246 F 17 Z -0.007591 0.021913 -0.028361 0.003396 0.012117 247 F 17 X 0.020538 0.061737 -0.007311 0.038604 -0.121641 248 F 17 Y -0.016965 0.102927 -0.147058 0.014005 0.028367 249 F 17 Z -0.062041 -0.017386 0.021599 -0.011104 -0.066021 250 F 17 XX 0.340348 -0.157975 0.063504 0.119164 0.020548 251 F 17 YY -0.014291 0.379632 -0.232844 -0.050014 0.084948 252 F 17 ZZ -0.326057 -0.221657 0.169341 -0.069150 -0.105495 253 F 17 XY -0.002040 0.054648 -0.008512 0.306752 -0.232847 254 F 17 XZ -0.068203 -0.017586 -0.106196 0.043514 -0.255765 255 F 17 YZ 0.318722 -0.141977 0.138912 0.084654 -0.030929 256 F 18 S 0.068036 0.087761 -0.058689 0.032438 -0.011190 257 F 18 S 0.137095 0.182524 -0.124836 0.067141 -0.021318 258 F 18 S -0.429931 -0.443101 0.214649 -0.146814 0.091242 259 F 18 X 0.003112 0.023434 0.011626 0.035024 0.031811 260 F 18 Y 0.006209 0.017713 -0.037364 0.001350 -0.025105 261 F 18 Z 0.007534 0.004818 0.002980 -0.002148 -0.009483 262 F 18 X -0.052866 -0.061438 -0.020752 -0.129333 -0.097813 263 F 18 Y -0.063867 -0.093227 0.106214 -0.013284 0.114555 264 F 18 Z 0.094598 0.028844 -0.014583 0.018531 0.001011 265 F 18 XX 0.392568 -0.157338 0.103310 -0.092823 -0.066768 266 F 18 YY -0.504122 0.047740 0.068332 0.016911 0.090819 267 F 18 ZZ 0.111554 0.109598 -0.171642 0.075912 -0.024052 268 F 18 XY -0.172424 -0.343026 -0.098197 -0.150161 -0.018642 269 F 18 XZ 0.054094 -0.019802 -0.014156 0.340350 0.308689 270 F 18 YZ -0.023739 0.186142 -0.283665 -0.027663 -0.126812 271 C 19 S -0.001617 0.002030 -0.003456 0.000397 -0.001971 272 C 19 S -0.003358 0.004291 -0.006581 0.000432 -0.003752 273 C 19 S -0.094619 0.067210 0.118799 -0.089936 0.043051 274 C 19 X 0.000017 -0.000230 0.000401 0.000185 0.000157 275 C 19 Y 0.000275 -0.001296 0.002086 0.000230 0.000807 276 C 19 Z 0.000253 -0.000286 0.000015 0.000132 0.000031 277 C 19 X 0.008993 -0.004746 -0.019935 0.007930 -0.009961 278 C 19 Y 0.014191 -0.006822 -0.030726 0.017862 -0.013022 279 C 19 Z 0.004614 -0.000363 -0.013637 0.007013 -0.003821 280 C 19 XX 0.002498 -0.000450 -0.005058 0.000305 -0.002096 281 C 19 YY 0.001459 -0.000736 0.000041 0.001834 0.000017 282 C 19 ZZ -0.003957 0.001187 0.005017 -0.002139 0.002079 283 C 19 XY 0.005717 -0.004074 -0.004833 0.003763 -0.000926 284 C 19 XZ 0.000221 -0.000383 -0.000809 0.000075 -0.000286 285 C 19 YZ 0.000106 -0.001687 -0.001274 0.000645 -0.000820 286 H 20 S 0.002053 -0.003837 0.000626 0.004361 0.001264 287 H 20 S 0.008715 -0.009460 -0.001266 0.008117 0.001649 288 H 20 X -0.002499 0.003731 -0.001421 -0.002383 -0.001280 289 H 20 Y -0.001690 0.001902 0.000393 -0.000298 -0.000121 290 H 20 Z -0.000346 0.000427 0.000977 -0.000569 0.000147 291 H 21 S 0.002360 -0.001486 -0.008248 0.002660 -0.003990 292 H 21 S 0.004608 -0.000973 -0.004977 0.004090 0.000076 293 H 21 X 0.001726 -0.002675 -0.000802 0.002170 0.000191 294 H 21 Y 0.001264 -0.002416 0.001495 0.000888 0.000771 295 H 21 Z 0.003818 -0.003131 -0.003190 0.002524 -0.000823 296 C 22 S 0.001318 -0.005057 0.005592 0.001096 0.005556 297 C 22 S 0.002836 -0.010085 0.010904 0.002315 0.011395 298 C 22 S 0.126522 -0.028852 -0.087378 0.049864 -0.064756 299 C 22 X -0.000817 0.000995 -0.001051 -0.000198 -0.001699 300 C 22 Y 0.000297 -0.003307 0.003019 0.000800 0.006312 301 C 22 Z 0.000425 0.000342 -0.000023 -0.000223 0.000597 302 C 22 X -0.005942 0.003450 0.003205 -0.006631 -0.004858 303 C 22 Y 0.026508 0.003600 -0.034617 0.006644 -0.023600 304 C 22 Z -0.000992 0.002839 -0.003053 -0.002324 -0.004498 305 C 22 XX 0.005884 -0.000633 -0.001919 0.001758 -0.003630 306 C 22 YY -0.012795 0.007258 0.001551 -0.006287 0.002385 307 C 22 ZZ 0.006911 -0.006625 0.000368 0.004530 0.001245 308 C 22 XY -0.000712 0.001500 -0.001310 -0.000521 -0.003623 309 C 22 XZ 0.000330 0.001513 -0.000837 -0.001087 -0.000435 310 C 22 YZ -0.002389 0.000453 0.000817 -0.000606 0.000610 311 H 23 S 0.001841 -0.003695 0.002758 0.001184 0.002343 312 H 23 S -0.011544 0.011257 -0.007452 -0.008080 -0.003165 313 H 23 X 0.004022 -0.003136 0.000542 0.001784 0.000819 314 H 23 Y -0.003955 0.001513 0.000043 -0.001081 0.001946 315 H 23 Z -0.000354 0.000267 0.000125 -0.000031 0.000667 316 H 24 S -0.007590 0.001654 0.004274 -0.002828 0.002752 317 H 24 S -0.002067 -0.001693 0.002202 0.000869 0.003109 318 H 24 X -0.001377 0.000935 0.000692 -0.000442 0.001692 319 H 24 Y 0.002615 -0.001160 -0.001355 0.000695 -0.002045 320 H 24 Z 0.006430 -0.002477 -0.001719 0.002133 -0.001630 321 H 25 S -0.008698 0.006321 0.002148 -0.005661 0.000729 322 H 25 S -0.002790 0.002611 0.001017 -0.002074 0.001843 323 H 25 X -0.001670 -0.001674 0.001977 0.000650 0.002399 324 H 25 Y 0.003051 0.000097 -0.001770 0.000611 -0.001523 325 H 25 Z -0.005126 0.003368 0.000924 -0.002741 0.001273 326 C 26 S 0.013655 -0.008559 -0.002227 0.002627 -0.005874 327 C 26 S 0.026229 -0.015198 -0.004305 0.005666 -0.011064 328 C 26 S -0.023982 0.117578 0.006471 -0.014039 -0.011129 329 C 26 X -0.001151 0.002391 -0.002574 0.002852 -0.001184 330 C 26 Y 0.004924 0.001532 0.002822 -0.000651 -0.000699 331 C 26 Z 0.014951 -0.002358 -0.004706 0.005908 -0.005114 332 C 26 X -0.021918 0.009445 0.015351 -0.008708 0.000117 333 C 26 Y -0.027252 0.013278 -0.024542 0.008527 0.000412 334 C 26 Z -0.017713 0.027994 0.007251 -0.009089 0.002607 335 C 26 XX 0.002763 0.002038 -0.011093 0.006340 -0.004672 336 C 26 YY 0.001698 0.001981 0.002938 -0.002610 0.001495 337 C 26 ZZ -0.004462 -0.004018 0.008155 -0.003730 0.003177 338 C 26 XY 0.015490 -0.012786 -0.010096 0.005558 0.000040 339 C 26 XZ 0.006632 -0.011059 -0.004402 0.004241 0.002842 340 C 26 YZ -0.002871 -0.008621 -0.016954 0.006197 -0.001789 341 H 27 S -0.018505 0.007624 0.020274 -0.011469 0.002731 342 H 27 S -0.018263 -0.007473 -0.009050 -0.000418 -0.002147 343 H 27 X 0.002704 0.007154 0.003261 0.001804 -0.000637 344 H 27 Y -0.001185 0.007078 0.005022 -0.003439 -0.003556 345 H 27 Z -0.004047 -0.006370 0.002259 -0.003522 0.000378 346 H 28 S 0.004066 -0.011796 -0.008129 0.001184 -0.005596 347 H 28 S -0.001344 -0.006874 0.016638 -0.008601 0.005117 348 H 28 X 0.005030 -0.002870 -0.009700 0.004713 -0.002091 349 H 28 Y 0.000065 0.004949 0.008527 -0.003898 0.000760 350 H 28 Z -0.002020 -0.001275 0.000588 -0.002132 -0.001801 351 H 29 S 0.006388 -0.015389 -0.000410 0.000722 0.005028 352 H 29 S -0.005706 -0.001528 -0.003050 -0.000446 0.004716 353 H 29 X -0.004371 0.005969 0.000168 -0.000467 -0.002374 354 H 29 Y 0.002464 -0.003571 0.002029 -0.001347 0.001688 355 H 29 Z -0.004281 0.000290 0.004038 -0.003197 0.001873 356 C 30 S -0.011514 0.001209 -0.000276 -0.006522 0.001013 357 C 30 S -0.022335 0.002038 0.000099 -0.012327 0.002099 358 C 30 S 0.036041 0.055522 0.046679 -0.004361 -0.025863 359 C 30 X 0.004840 0.001850 -0.004337 0.003503 -0.000350 360 C 30 Y 0.000690 -0.005882 0.005508 0.003197 0.005517 361 C 30 Z 0.012531 -0.009519 0.001612 0.006496 0.000690 362 C 30 X 0.032673 -0.041748 -0.000910 0.004307 -0.011717 363 C 30 Y -0.034824 0.007952 0.017899 -0.019955 0.003388 364 C 30 Z -0.013009 -0.030392 -0.018541 0.005891 0.015738 365 C 30 XX -0.006865 -0.003975 0.009572 -0.000352 0.010606 366 C 30 YY 0.008834 0.002019 -0.007785 0.002193 -0.006436 367 C 30 ZZ -0.001969 0.001956 -0.001788 -0.001841 -0.004170 368 C 30 XY 0.017996 -0.011485 0.002741 0.009971 0.002799 369 C 30 XZ 0.012282 -0.002138 -0.001875 0.003755 -0.003572 370 C 30 YZ -0.005179 -0.008467 0.008480 0.003135 0.010094 371 H 31 S -0.010631 -0.010318 0.010912 -0.003001 0.009385 372 H 31 S -0.012713 0.001400 0.009013 -0.006233 0.004008 373 H 31 X -0.004635 0.005761 0.001350 -0.001314 0.003289 374 H 31 Y -0.005648 -0.002150 0.005943 0.000322 0.007520 375 H 31 Z 0.000992 0.006559 -0.004284 -0.000168 -0.003585 376 H 32 S 0.019336 -0.016209 -0.008450 0.007586 -0.005499 377 H 32 S 0.022400 -0.010208 -0.004458 0.000736 -0.013448 378 H 32 X 0.009927 0.007052 -0.012591 0.002350 -0.006749 379 H 32 Y -0.004219 -0.004897 0.007432 0.001097 0.004587 380 H 32 Z 0.001537 0.002589 -0.002626 0.000121 -0.000043 381 H 33 S -0.007409 0.007719 -0.010576 -0.001929 -0.004198 382 H 33 S 0.002449 0.016360 -0.006643 0.006315 0.000408 383 H 33 X 0.004212 -0.005205 0.005109 0.003257 0.003201 384 H 33 Y 0.003064 -0.006232 0.002482 0.002142 0.002781 385 H 33 Z -0.005035 0.001825 0.000820 -0.002707 0.002697 386 H 34 S 0.003481 0.000178 -0.006076 0.001853 -0.002913 387 H 34 S 0.000311 -0.005246 0.007136 -0.000902 0.001838 388 H 34 X 0.002538 -0.002175 -0.000372 0.002045 0.000469 389 H 34 Y 0.001932 -0.001950 -0.000865 0.001646 0.000342 390 H 34 Z -0.002820 0.002193 0.001867 -0.001531 0.000603 391 F 35 S -0.064993 -0.104734 -0.114336 0.000084 -0.006856 392 F 35 S -0.134437 -0.217048 -0.237048 0.000264 -0.014051 393 F 35 S 0.331591 0.535582 0.579757 0.002600 0.036246 394 F 35 X -0.011663 -0.016795 -0.020988 0.001096 -0.003886 395 F 35 Y 0.014508 -0.016490 0.008228 -0.003025 0.077284 396 F 35 Z -0.020960 -0.037043 -0.038189 0.001407 0.007343 397 F 35 X 0.104006 0.146208 0.169151 -0.003667 0.017343 398 F 35 Y -0.042890 0.060877 -0.018719 0.015121 -0.242607 399 F 35 Z 0.042212 0.085732 0.090918 -0.003063 -0.021440 400 F 35 XX 0.082288 0.177382 0.188459 0.024908 0.089024 401 F 35 YY -0.077500 -0.128998 -0.043431 -0.001769 -0.105042 402 F 35 ZZ -0.004788 -0.048384 -0.145028 -0.023139 0.016018 403 F 35 XY 0.081882 -0.031110 -0.008714 -0.241852 -0.595285 404 F 35 XZ 0.174266 0.274062 0.304827 -0.023987 -0.071559 405 F 35 YZ 0.185211 0.156474 -0.172501 -0.158395 0.176566 406 F 36 S 0.037449 0.073598 0.084554 0.000623 0.012684 407 F 36 S 0.079831 0.154414 0.177351 0.001273 0.025802 408 F 36 S -0.148765 -0.344239 -0.389788 -0.006816 -0.073981 409 F 36 X 0.017846 0.018269 0.025166 0.004472 -0.001829 410 F 36 Y 0.008338 0.030294 -0.033483 -0.056422 0.026789 411 F 36 Z 0.007883 0.010857 0.006119 -0.005770 0.002595 412 F 36 X -0.045796 -0.060615 -0.077715 -0.014172 0.000832 413 F 36 Y -0.032802 -0.069253 0.088467 0.193050 -0.104690 414 F 36 Z -0.019018 -0.053151 -0.046990 0.017126 -0.027103 415 F 36 XX 0.044712 0.121906 0.057126 -0.002074 -0.005062 416 F 36 YY -0.001652 -0.074158 -0.017266 -0.108623 0.055030 417 F 36 ZZ -0.043059 -0.047748 -0.039860 0.110697 -0.049967 418 F 36 XY 0.245355 -0.248509 0.192788 0.021835 0.117044 419 F 36 XZ -0.152642 -0.299492 -0.295553 -0.041878 0.018011 420 F 36 YZ -0.117272 -0.020352 0.073171 0.665273 -0.298244 421 C 37 S -0.019028 0.010413 0.011480 -0.007633 0.006269 422 C 37 S -0.030867 0.015312 0.018198 -0.011713 0.010802 423 C 37 S 0.501745 -0.420323 -0.430104 0.340832 -0.108230 424 C 37 X -0.005170 0.007747 0.001248 -0.003496 -0.001277 425 C 37 Y 0.000549 -0.000741 0.002813 0.001539 0.000523 426 C 37 Z -0.001778 -0.002470 0.006010 -0.001881 0.001160 427 C 37 X -0.240485 0.157775 0.235114 -0.125562 0.086376 428 C 37 Y -0.041836 0.035275 0.041181 -0.041910 0.013559 429 C 37 Z 0.004008 -0.009517 0.025311 -0.004642 0.007687 430 C 37 XX -0.002667 0.000229 -0.007496 0.002483 -0.002818 431 C 37 YY 0.021241 -0.016309 -0.001611 0.006479 -0.000614 432 C 37 ZZ -0.018574 0.016080 0.009107 -0.008962 0.003432 433 C 37 XY -0.004209 0.005193 0.003755 -0.005550 0.000620 434 C 37 XZ 0.002749 0.001371 -0.006291 0.001619 -0.003271 435 C 37 YZ 0.000484 0.003228 -0.004860 -0.000736 0.000029 436 S 38 S -0.002590 0.001672 0.002334 -0.001208 0.001041 437 S 38 S -0.017659 0.011492 0.015356 -0.007602 0.006945 438 S 38 S -0.018769 0.012731 0.013503 -0.005882 0.006288 439 S 38 S 0.299819 -0.193441 -0.147761 0.140541 -0.045341 440 S 38 X -0.002324 -0.000401 0.005057 -0.001165 0.001584 441 S 38 Y -0.007198 0.004546 0.003293 -0.005362 0.000134 442 S 38 Z 0.000844 -0.000597 -0.000768 0.000587 -0.000835 443 S 38 X -0.006876 -0.001609 0.016785 -0.002679 0.004968 444 S 38 Y -0.022176 0.014113 0.012406 -0.018299 0.002016 445 S 38 Z 0.003187 -0.001713 -0.003187 0.002541 -0.003048 446 S 38 X -0.008929 0.040300 -0.055491 -0.028662 -0.038898 447 S 38 Y -0.115800 0.091886 0.035371 -0.065186 0.000410 448 S 38 Z 0.010411 0.017251 -0.023632 0.005908 -0.004457 449 S 38 XX 0.005548 -0.000291 -0.009252 -0.000957 -0.004521 450 S 38 YY -0.001932 -0.001124 0.001206 0.006333 0.001090 451 S 38 ZZ -0.003615 0.001415 0.008047 -0.005376 0.003431 452 S 38 XY 0.010501 -0.008802 -0.008449 0.008255 0.000172 453 S 38 XZ 0.002314 -0.001216 -0.001699 0.001480 -0.000001 454 S 38 YZ -0.004361 -0.003552 0.007372 -0.003172 0.001137 455 S 38 XX 0.001341 0.002613 -0.004367 -0.002090 -0.004900 456 S 38 YY -0.001022 -0.001647 0.001312 0.003776 0.002200 457 S 38 ZZ -0.000319 -0.000966 0.003055 -0.001686 0.002700 458 S 38 XY 0.005317 -0.008424 0.000561 0.002944 0.005463 459 S 38 XZ 0.004923 -0.002657 -0.003478 0.003816 -0.001741 460 S 38 YZ -0.005780 -0.007667 0.011755 -0.006706 0.001748 461 H 39 S -0.006466 0.011181 0.003638 -0.011814 -0.000708 462 H 39 S 0.037878 -0.018548 -0.045582 0.011380 -0.021263 463 H 39 X 0.012591 -0.009170 -0.012721 0.008904 -0.004432 464 H 39 Y 0.013605 -0.007488 -0.006984 0.005961 -0.003776 465 H 39 Z 0.001995 -0.000479 -0.001929 0.000725 -0.000894 416 417 418 419 420 4.2228 4.2593 4.2622 4.3644 4.3848 A A A A A 1 C 1 S -0.006547 0.008087 -0.003561 0.009361 0.005574 2 C 1 S -0.011085 0.014788 -0.006518 0.015858 0.010204 3 C 1 S 0.195205 -0.187227 0.057709 -0.194297 -0.019634 4 C 1 X -0.007180 0.000300 0.000879 0.009098 -0.003349 5 C 1 Y 0.005420 -0.004116 -0.000314 -0.003007 -0.000943 6 C 1 Z 0.000951 -0.001138 0.000940 -0.000974 -0.000775 7 C 1 X -0.094424 0.078629 -0.013802 0.170803 0.052245 8 C 1 Y -0.023275 0.046548 0.010484 0.005035 0.007376 9 C 1 Z 0.000021 0.005380 -0.006084 -0.010997 0.005606 10 C 1 XX 0.008003 -0.004244 -0.000090 -0.017791 -0.003937 11 C 1 YY -0.002978 0.000429 0.001097 0.006990 -0.000852 12 C 1 ZZ -0.005024 0.003814 -0.001007 0.010801 0.004789 13 C 1 XY -0.003409 0.000117 0.000402 0.001745 0.001705 14 C 1 XZ -0.000226 -0.002032 0.000563 0.002789 -0.001725 15 C 1 YZ -0.002123 -0.001951 0.001804 0.000731 -0.002652 16 C 2 S 0.007530 -0.005824 0.002194 -0.004164 0.007230 17 C 2 S 0.009139 -0.006498 0.001530 -0.008730 0.010775 18 C 2 S -0.392588 0.323870 -0.241790 -0.041662 -0.370810 19 C 2 X 0.010889 -0.010316 0.004402 0.006188 0.006615 20 C 2 Y -0.015073 0.015569 -0.013496 -0.019374 -0.014657 21 C 2 Z 0.001346 0.009473 -0.005139 -0.001720 0.004973 22 C 2 X -0.112388 0.137109 -0.012325 0.185577 0.058674 23 C 2 Y -0.071732 0.046495 -0.101985 -0.207226 -0.219303 24 C 2 Z 0.012403 -0.010278 0.011744 -0.022757 -0.031392 25 C 2 XX -0.005064 -0.008020 0.008033 0.028256 0.002873 26 C 2 YY -0.008557 0.019116 -0.014711 -0.030048 -0.012913 27 C 2 ZZ 0.013620 -0.011096 0.006678 0.001792 0.010041 28 C 2 XY -0.000353 0.008907 -0.002448 -0.008267 0.002205 29 C 2 XZ 0.002510 -0.003006 -0.000328 -0.000028 0.000017 30 C 2 YZ 0.005184 0.014868 -0.003595 -0.003993 0.009912 31 C 3 S 0.018541 -0.024618 0.013663 0.007596 0.012339 32 C 3 S 0.032305 -0.044650 0.024723 0.019028 0.025545 33 C 3 S -0.509942 0.723901 -0.427118 0.153490 -0.685477 34 C 3 X 0.008940 -0.015535 0.003188 -0.017541 -0.004990 35 C 3 Y 0.013925 -0.013119 0.009478 0.014302 0.009957 36 C 3 Z 0.006000 0.009030 -0.006221 0.001746 0.008456 37 C 3 X 0.049226 -0.367937 0.136636 0.028382 0.278385 38 C 3 Y -0.470186 0.366247 -0.399071 -0.321288 -0.737090 39 C 3 Z -0.049177 -0.010513 -0.041763 -0.018581 0.038819 40 C 3 XX -0.023001 0.045403 -0.027738 -0.017433 -0.001237 41 C 3 YY 0.024456 -0.044202 0.028748 0.031255 0.020260 42 C 3 ZZ -0.001455 -0.001200 -0.001009 -0.013822 -0.019023 43 C 3 XY -0.042970 0.047501 -0.034995 -0.030509 -0.004333 44 C 3 XZ -0.014268 -0.007470 0.006781 -0.002871 -0.023169 45 C 3 YZ 0.011836 0.025682 -0.012181 -0.005897 0.036121 46 C 4 S -0.022147 -0.007583 -0.018619 0.007297 -0.021568 47 C 4 S -0.037546 -0.016970 -0.030820 0.014591 -0.038757 48 C 4 S 0.336384 -0.016316 0.336350 0.027394 0.414014 49 C 4 X -0.010150 0.021467 -0.006943 -0.007258 -0.002555 50 C 4 Y -0.009535 0.010850 -0.008059 -0.003703 -0.001092 51 C 4 Z -0.001347 -0.004129 -0.005228 -0.002927 -0.004716 52 C 4 X -0.184363 0.020011 -0.136202 -0.042540 -0.137286 53 C 4 Y -0.073382 0.015302 0.078684 0.002040 0.126534 54 C 4 Z -0.041389 0.071263 -0.036294 -0.027643 -0.076638 55 C 4 XX 0.008655 -0.011776 -0.003485 -0.000138 -0.005682 56 C 4 YY -0.005097 -0.000944 0.005334 -0.000315 0.001604 57 C 4 ZZ -0.003557 0.012719 -0.001849 0.000453 0.004078 58 C 4 XY 0.023306 -0.019173 0.016919 0.003399 0.006218 59 C 4 XZ 0.011501 0.002198 0.004310 0.003141 0.009162 60 C 4 YZ 0.001278 -0.005012 -0.002927 0.000644 -0.006665 61 S 5 S -0.001265 -0.000076 0.000879 0.000989 0.000941 62 S 5 S -0.009135 -0.000340 0.006221 0.007198 0.006626 63 S 5 S -0.011098 0.000382 0.007289 0.009109 0.007634 64 S 5 S 0.036766 -0.000069 -0.006768 -0.031008 -0.016468 65 S 5 X 0.001433 -0.001345 0.000068 -0.000749 0.000357 66 S 5 Y -0.000386 0.000416 0.000665 0.000141 0.000255 67 S 5 Z -0.000209 -0.000345 0.000339 0.000494 0.000731 68 S 5 X 0.004534 -0.005450 0.000771 -0.002382 0.001671 69 S 5 Y -0.000057 0.000904 0.002204 0.000649 0.001069 70 S 5 Z -0.000560 -0.001459 0.001723 0.001936 0.002939 71 S 5 X 0.002414 -0.012123 0.009128 0.000278 0.006920 72 S 5 Y 0.016108 0.005154 0.005111 0.030033 0.011879 73 S 5 Z 0.007850 -0.002768 0.011035 0.002659 0.007382 74 S 5 XX -0.004808 0.004464 -0.001734 0.001118 -0.001021 75 S 5 YY 0.005016 -0.002814 -0.000210 -0.001509 -0.000785 76 S 5 ZZ -0.000208 -0.001650 0.001944 0.000391 0.001807 77 S 5 XY -0.002121 0.000392 -0.000605 -0.000037 0.000767 78 S 5 XZ -0.000312 0.001083 -0.001916 -0.000760 -0.001216 79 S 5 YZ 0.001172 -0.000643 0.001601 0.000617 0.000950 80 S 5 XX -0.008678 0.008937 -0.003990 0.001290 -0.003839 81 S 5 YY 0.010870 -0.006777 -0.000138 -0.005706 -0.002275 82 S 5 ZZ -0.002192 -0.002160 0.004128 0.004416 0.006114 83 S 5 XY -0.005063 0.000392 0.000877 0.000395 0.001438 84 S 5 XZ -0.000619 0.003197 -0.005172 -0.001586 -0.003966 85 S 5 YZ 0.002567 -0.000429 0.004633 0.002653 0.003867 86 H 6 S 0.003719 -0.007373 0.006537 0.015251 0.009692 87 H 6 S -0.017652 0.011167 -0.026703 -0.047819 -0.042223 88 H 6 X 0.007512 -0.012922 0.004266 -0.008271 -0.005299 89 H 6 Y -0.000478 -0.003256 -0.001299 0.002710 0.004395 90 H 6 Z 0.000529 0.003187 -0.002607 0.001190 0.005732 91 C 7 S 0.023812 -0.010239 -0.023169 0.021099 -0.016829 92 C 7 S 0.040193 -0.017322 -0.042018 0.041353 -0.028301 93 C 7 S -0.695124 0.274360 0.560050 -0.300607 1.084148 94 C 7 X 0.014613 0.004100 0.013713 -0.012793 -0.020119 95 C 7 Y -0.011859 0.008248 0.023856 -0.029453 -0.011166 96 C 7 Z 0.000678 0.003575 0.005479 0.006898 -0.009962 97 C 7 X 0.049259 0.048750 -0.016038 0.113591 -0.196089 98 C 7 Y 0.287967 -0.112185 -0.223774 0.263114 -0.557980 99 C 7 Z -0.012126 -0.037129 0.050371 -0.000105 0.046522 100 C 7 XX -0.037407 0.017034 0.047033 -0.022081 -0.009787 101 C 7 YY 0.032349 -0.015633 -0.053621 0.023147 0.017598 102 C 7 ZZ 0.005058 -0.001401 0.006588 -0.001065 -0.007810 103 C 7 XY 0.020442 -0.023513 -0.040041 0.004669 0.028390 104 C 7 XZ 0.012830 -0.009162 -0.030247 -0.008607 0.016254 105 C 7 YZ -0.012322 -0.004420 -0.014566 -0.009717 0.029031 106 C 8 S -0.007638 0.004765 0.000273 0.005008 -0.000276 107 C 8 S -0.013689 0.008735 0.000182 0.009556 -0.000700 108 C 8 S 0.184134 -0.083557 -0.054610 0.000295 -0.058107 109 C 8 X 0.003296 0.001561 0.002191 -0.003915 -0.003792 110 C 8 Y -0.004119 0.001185 0.001238 -0.000714 0.004477 111 C 8 Z -0.001550 0.000064 0.000889 -0.000851 0.001649 112 C 8 X 0.002820 -0.003992 -0.031223 0.050948 0.001577 113 C 8 Y -0.089143 0.023959 0.029543 0.034633 -0.000122 114 C 8 Z -0.009733 0.003207 0.002623 0.009302 -0.001353 115 C 8 XX 0.001118 -0.000331 0.004010 -0.003240 0.002046 116 C 8 YY 0.003382 -0.001070 -0.003427 -0.000283 -0.002437 117 C 8 ZZ -0.004500 0.001402 -0.000583 0.003523 0.000391 118 C 8 XY -0.003211 -0.003023 -0.003595 -0.000046 0.006931 119 C 8 XZ -0.001155 -0.000137 0.000308 -0.000300 -0.000244 120 C 8 YZ 0.000285 -0.000075 -0.000245 -0.000181 -0.001202 121 C 9 S -0.015969 0.012485 0.018930 0.009953 0.017070 122 C 9 S -0.026215 0.020770 0.030522 0.020546 0.029840 123 C 9 S 0.222651 -0.161632 -0.341332 0.037189 -0.409108 124 C 9 X -0.012368 0.003959 0.012322 -0.011456 0.005121 125 C 9 Y 0.010960 -0.002907 -0.005347 0.000529 0.003545 126 C 9 Z -0.001056 -0.004542 -0.004773 -0.003284 0.003305 127 C 9 X -0.130622 0.150476 0.126444 0.037173 0.065675 128 C 9 Y 0.110858 -0.031962 0.006386 0.032026 0.056980 129 C 9 Z 0.097323 0.003623 -0.131206 0.028078 -0.195674 130 C 9 XX 0.017638 0.002063 0.004335 -0.004730 -0.004695 131 C 9 YY -0.000504 -0.001033 -0.006750 0.002850 0.002080 132 C 9 ZZ -0.017134 -0.001030 0.002416 0.001880 0.002615 133 C 9 XY -0.012730 0.013086 0.029836 0.001454 -0.001663 134 C 9 XZ -0.006103 0.013626 0.008338 0.001184 -0.004482 135 C 9 YZ 0.007713 -0.001266 -0.000344 0.005412 0.005600 136 C 10 S -0.005817 0.022382 0.014272 0.014052 -0.017635 137 C 10 S -0.022434 0.048546 0.032376 0.017448 -0.025314 138 C 10 S 0.206428 -0.241302 -0.349018 -0.200483 -0.023515 139 C 10 X 0.022399 0.002763 -0.025780 -0.000952 0.003631 140 C 10 Y -0.007322 -0.020200 0.051004 0.010447 -0.004038 141 C 10 Z 0.012507 0.022989 0.036498 0.001063 -0.028240 142 C 10 X 0.363210 -0.065277 -0.502250 0.523329 -1.568835 143 C 10 Y 0.481844 -0.082703 -0.093257 0.049619 -0.126868 144 C 10 Z -0.010181 0.089416 -0.041999 -0.163280 0.155909 145 C 10 XX -0.079459 0.021258 0.125739 -0.096790 0.034532 146 C 10 YY 0.033975 -0.042781 -0.135739 0.049472 0.039735 147 C 10 ZZ 0.045484 0.021523 0.010001 0.047318 -0.074268 148 C 10 XY 0.036762 0.025916 0.029247 -0.007697 -0.046322 149 C 10 XZ -0.042319 -0.061391 -0.088236 0.015079 0.121660 150 C 10 YZ 0.013494 0.009946 -0.004532 -0.012095 -0.025445 151 C 11 S -0.031260 0.027454 -0.005816 0.004279 0.020959 152 C 11 S -0.062836 0.060440 -0.011422 -0.000355 0.025944 153 C 11 S 0.724791 -0.562251 0.344095 -0.091758 -0.126513 154 C 11 X 0.005105 -0.013476 0.015394 -0.003223 -0.008723 155 C 11 Y 0.011852 -0.014610 0.059723 -0.010891 -0.018500 156 C 11 Z 0.019031 0.035151 -0.002820 -0.007380 0.029696 157 C 11 X 0.358766 -0.692001 0.569808 0.198438 1.536331 158 C 11 Y 0.055592 0.379571 0.066771 0.257011 0.202954 159 C 11 Z 0.066495 -0.043990 0.104771 -0.010276 -0.010835 160 C 11 XX -0.064788 0.097179 -0.094060 -0.087678 -0.057220 161 C 11 YY 0.061993 -0.085626 0.091667 0.041545 -0.010446 162 C 11 ZZ 0.002795 -0.011553 0.002393 0.046134 0.067666 163 C 11 XY -0.019408 0.047957 -0.029029 -0.028690 -0.026366 164 C 11 XZ -0.063549 -0.085078 0.007029 0.023428 -0.114857 165 C 11 YZ -0.020260 -0.033147 -0.019983 0.032272 -0.060868 166 C 12 S 0.003399 0.045602 0.007906 -0.002346 0.083671 167 C 12 S 0.007364 0.080913 0.015742 0.046379 0.116188 168 C 12 S 0.031562 -0.334384 -0.386469 0.891190 -1.719598 169 C 12 X 0.058997 -0.002268 -0.067288 -0.016616 -0.001347 170 C 12 Y 0.030349 0.032522 -0.004350 0.079510 -0.017409 171 C 12 Z -0.003679 -0.001653 -0.066702 -0.012751 -0.107390 172 C 12 X -0.372494 0.187474 0.212496 0.067827 -0.160535 173 C 12 Y -0.230779 0.367109 0.079612 -0.019983 0.188862 174 C 12 Z 0.034658 -0.188264 0.110888 0.218221 0.113264 175 C 12 XX 0.180329 -0.028966 -0.173235 0.046034 -0.054923 176 C 12 YY -0.106155 0.077666 0.218400 0.018242 -0.057756 177 C 12 ZZ -0.074174 -0.048700 -0.045164 -0.064276 0.112678 178 C 12 XY -0.097625 0.073530 0.231749 -0.185681 -0.059789 179 C 12 XZ -0.171289 -0.162043 -0.119416 -0.043093 0.297459 180 C 12 YZ -0.102863 -0.053674 0.057382 0.108368 0.008784 181 C 13 S -0.038951 -0.004886 0.001737 0.077178 0.013738 182 C 13 S -0.065483 0.032042 0.019818 0.198061 0.034733 183 C 13 S -0.045274 0.892926 0.201613 0.034200 0.030127 184 C 13 X 0.058536 -0.049626 -0.009869 -0.181446 -0.025225 185 C 13 Y 0.019820 0.034117 -0.056878 -0.025618 0.008071 186 C 13 Z -0.071593 -0.144315 -0.078279 0.094940 0.012711 187 C 13 X 0.420823 -0.180210 -0.060173 -0.194859 -0.074492 188 C 13 Y 0.021982 -0.259564 0.312028 -0.032220 0.385861 189 C 13 Z -0.258218 0.285743 0.068229 -0.335913 0.006706 190 C 13 XX 0.017381 -0.020912 0.038018 0.151097 0.042792 191 C 13 YY 0.010044 0.057668 -0.006503 -0.095177 -0.086382 192 C 13 ZZ -0.027425 -0.036756 -0.031514 -0.055920 0.043590 193 C 13 XY 0.044503 0.110324 -0.324220 0.011165 -0.113870 194 C 13 XZ 0.068694 0.022513 -0.002943 0.185850 -0.004619 195 C 13 YZ 0.021046 0.059857 -0.094329 -0.035902 0.332074 196 C 14 S -0.007361 0.039189 0.000284 0.007288 -0.079051 197 C 14 S -0.012968 0.068061 -0.003881 0.052025 -0.100460 198 C 14 S 0.056250 -0.669978 0.309048 0.569912 1.810035 199 C 14 X 0.044593 -0.056949 0.064527 -0.006101 0.003876 200 C 14 Y -0.012449 -0.012154 -0.024491 -0.058142 -0.038770 201 C 14 Z -0.014670 -0.037647 0.043733 -0.050135 0.090977 202 C 14 X -0.327146 0.468740 -0.054301 0.134520 0.174387 203 C 14 Y 0.150211 -0.348000 -0.019359 -0.166630 0.172221 204 C 14 Z 0.020938 -0.003497 -0.173624 0.153917 -0.005864 205 C 14 XX 0.131206 -0.081321 0.114298 -0.010221 0.102196 206 C 14 YY -0.063442 0.147489 -0.121320 0.085677 0.053527 207 C 14 ZZ -0.067765 -0.066168 0.007022 -0.075456 -0.155723 208 C 14 XY 0.113981 -0.211371 0.187076 0.178894 0.047269 209 C 14 XZ -0.166417 -0.224558 -0.035420 0.080500 -0.275203 210 C 14 YZ 0.068717 0.011297 0.073505 -0.062706 -0.000193 211 F 15 S 0.001078 -0.041764 -0.009818 0.066227 -0.068300 212 F 15 S 0.001500 -0.086064 -0.020641 0.134275 -0.138053 213 F 15 S -0.028332 0.224021 0.039971 -0.352338 0.343308 214 F 15 X -0.047087 -0.008286 0.015155 -0.002798 0.022724 215 F 15 Y -0.015798 0.012357 0.005222 0.025928 -0.002863 216 F 15 Z -0.007670 0.000973 0.010856 -0.004115 0.024154 217 F 15 X 0.175417 0.045743 -0.037201 0.000170 -0.099008 218 F 15 Y 0.065650 -0.051140 -0.013684 -0.102279 -0.010782 219 F 15 Z 0.036539 -0.036509 -0.042002 0.109180 -0.203411 220 F 15 XX 0.207509 0.140835 0.065479 0.082302 -0.332029 221 F 15 YY 0.016219 -0.038098 -0.123595 0.108102 -0.050304 222 F 15 ZZ -0.223728 -0.102737 0.058116 -0.190404 0.382333 223 F 15 XY 0.071476 -0.098819 -0.154868 -0.046112 0.073788 224 F 15 XZ -0.566772 -0.179977 -0.015887 -0.073028 0.305751 225 F 15 YZ -0.217099 -0.029026 0.008045 0.295821 0.054149 226 F 16 S 0.000868 0.024939 0.002363 0.069015 -0.051216 227 F 16 S 0.002857 0.050255 0.006470 0.142595 -0.105807 228 F 16 S 0.025442 -0.145166 0.031606 -0.286231 0.265862 229 F 16 X -0.029929 0.028210 0.033305 -0.015298 -0.009740 230 F 16 Y -0.021056 0.018447 0.002533 -0.020540 0.008214 231 F 16 Z -0.008465 0.005445 0.010804 0.027067 -0.016266 232 F 16 X 0.113200 -0.128759 -0.150941 0.052026 0.063838 233 F 16 Y 0.059983 -0.038882 -0.048161 0.109451 -0.042504 234 F 16 Z 0.028992 -0.033933 -0.035016 -0.157638 0.089296 235 F 16 XX 0.024738 -0.163346 -0.212054 0.209678 0.101692 236 F 16 YY -0.127497 0.206179 0.324182 -0.026505 -0.234928 237 F 16 ZZ 0.102759 -0.042832 -0.112128 -0.183173 0.133236 238 F 16 XY -0.148382 0.304224 0.429868 -0.158285 -0.120276 239 F 16 XZ 0.245788 -0.163031 -0.360767 0.015104 0.058756 240 F 16 YZ 0.075841 0.055569 0.017542 0.315733 -0.110266 241 F 17 S 0.000857 0.005805 0.009658 0.068132 0.058075 242 F 17 S 0.002942 0.011927 0.018238 0.140310 0.119726 243 F 17 S 0.022175 -0.020924 -0.088550 -0.295620 -0.297817 244 F 17 X -0.030175 0.046707 -0.012919 -0.020416 0.002136 245 F 17 Y 0.017504 -0.016436 -0.004551 0.008764 0.005435 246 F 17 Z -0.005549 0.012413 -0.009265 0.023982 0.023653 247 F 17 X 0.104737 -0.209150 0.058621 0.075450 -0.032333 248 F 17 Y -0.045096 0.069752 -0.019226 -0.059167 -0.031282 249 F 17 Z 0.023201 -0.048171 0.012003 -0.152921 -0.128994 250 F 17 XX -0.027752 -0.085884 -0.007505 0.165422 -0.035040 251 F 17 YY -0.038943 0.261361 -0.073167 0.080789 0.243309 252 F 17 ZZ 0.066694 -0.175477 0.080672 -0.246212 -0.208269 253 F 17 XY 0.046780 -0.496292 0.126242 0.207836 -0.109823 254 F 17 XZ 0.179825 -0.484018 0.235453 0.123005 -0.044054 255 F 17 YZ -0.052225 -0.005571 -0.024484 -0.193716 -0.061189 256 F 18 S -0.003233 -0.025982 -0.013939 0.044788 0.078030 257 F 18 S -0.007282 -0.053931 -0.029029 0.090964 0.157734 258 F 18 S -0.003602 0.137747 0.067270 -0.240216 -0.398752 259 F 18 X -0.040680 0.011662 -0.026182 0.011178 -0.019960 260 F 18 Y 0.012840 -0.014408 -0.002146 -0.026571 -0.007481 261 F 18 Z -0.003930 0.006870 -0.009187 -0.004019 -0.025287 262 F 18 X 0.160684 -0.029129 0.091970 -0.055704 0.081797 263 F 18 Y -0.051593 0.057178 0.008074 0.101383 -0.018841 264 F 18 Z 0.020676 -0.040244 0.028296 0.077592 0.214750 265 F 18 XX 0.268341 0.080859 0.123311 -0.008013 0.320813 266 F 18 YY -0.093277 -0.064792 0.013669 0.207491 0.083496 267 F 18 ZZ -0.175064 -0.016067 -0.136980 -0.199478 -0.404310 268 F 18 XY 0.091114 0.224262 -0.006591 0.012958 0.185016 269 F 18 XZ -0.542988 -0.002079 -0.245122 0.060528 -0.241759 270 F 18 YZ 0.170036 -0.001181 0.092256 -0.246711 0.089378 271 C 19 S -0.000436 0.001413 -0.000686 0.004673 -0.002812 272 C 19 S -0.001190 0.003134 -0.001033 0.008674 -0.005306 273 C 19 S 0.007923 0.004244 0.009011 -0.049663 0.019803 274 C 19 X 0.001334 -0.001534 -0.001637 0.000627 0.000009 275 C 19 Y 0.001096 -0.001911 -0.000777 -0.000004 0.000357 276 C 19 Z 0.000019 -0.000335 -0.000203 -0.000133 0.000228 277 C 19 X -0.011125 0.006124 0.001952 0.018213 -0.007935 278 C 19 Y 0.001358 -0.000526 -0.008039 0.021755 -0.009525 279 C 19 Z -0.002760 -0.000927 -0.005328 0.001483 -0.005111 280 C 19 XX 0.001705 -0.000809 -0.002883 0.003203 0.001392 281 C 19 YY -0.000365 0.000020 0.001627 -0.002515 -0.000613 282 C 19 ZZ -0.001340 0.000789 0.001256 -0.000688 -0.000779 283 C 19 XY -0.000156 0.000433 0.001186 -0.001370 0.001462 284 C 19 XZ 0.000162 0.000117 -0.000108 0.000190 -0.000012 285 C 19 YZ -0.001426 -0.000005 0.000564 -0.000194 -0.000491 286 H 20 S 0.000202 -0.000789 0.001257 -0.001865 -0.001357 287 H 20 S 0.007748 -0.006679 -0.000949 -0.006414 0.003694 288 H 20 X 0.000147 0.000828 -0.001807 0.002801 -0.000706 289 H 20 Y 0.000218 0.000327 -0.000524 0.000430 -0.001379 290 H 20 Z 0.000465 0.000231 0.000376 0.000343 0.000292 291 H 21 S -0.000579 -0.000407 -0.001877 0.004731 -0.002161 292 H 21 S -0.000960 -0.000827 -0.002193 -0.004295 -0.000720 293 H 21 X 0.000095 -0.000911 -0.000151 -0.000623 -0.000110 294 H 21 Y -0.000626 0.000248 0.001992 -0.000491 0.000605 295 H 21 Z -0.000434 -0.000323 0.000196 -0.000268 0.000674 296 C 22 S 0.000588 -0.001147 0.001731 0.005761 0.004924 297 C 22 S 0.000013 -0.001133 0.002948 0.011287 0.009422 298 C 22 S -0.037740 0.050681 -0.013806 -0.029667 -0.026699 299 C 22 X -0.000364 -0.000153 0.000001 -0.000036 -0.000940 300 C 22 Y -0.004747 0.004856 -0.000876 0.002855 0.001355 301 C 22 Z -0.000141 0.001051 -0.000315 0.000060 0.000935 302 C 22 X 0.031696 -0.027180 0.008299 -0.011139 0.003952 303 C 22 Y 0.004487 0.007607 -0.002619 -0.027219 -0.016472 304 C 22 Z 0.000254 -0.002153 -0.000531 -0.001582 -0.001927 305 C 22 XX 0.000724 -0.000085 -0.000242 -0.000170 0.000446 306 C 22 YY 0.002065 -0.002507 -0.000351 -0.005689 -0.002477 307 C 22 ZZ -0.002789 0.002592 0.000592 0.005859 0.002030 308 C 22 XY 0.003224 -0.004777 0.001358 -0.001511 -0.000019 309 C 22 XZ 0.000744 0.001262 -0.001286 -0.000568 0.001713 310 C 22 YZ -0.000849 -0.000962 0.001074 -0.000282 -0.001590 311 H 23 S 0.004194 -0.002054 0.001419 0.002477 0.002195 312 H 23 S 0.013109 -0.007002 0.002300 -0.014075 -0.007453 313 H 23 X 0.001497 -0.000137 0.000831 0.001715 0.001817 314 H 23 Y -0.002355 0.002819 -0.000812 0.000311 -0.001944 315 H 23 Z -0.000500 0.000936 -0.000077 -0.000118 0.000034 316 H 24 S 0.001699 -0.003707 0.002267 -0.000367 -0.000071 317 H 24 S -0.002905 0.002614 -0.000598 0.001681 -0.001437 318 H 24 X -0.003632 0.002937 -0.001408 0.001963 0.000661 319 H 24 Y -0.000088 -0.000003 -0.000044 -0.001021 -0.000501 320 H 24 Z 0.000802 0.000911 -0.000099 0.000403 0.001625 321 H 25 S 0.002642 -0.003601 -0.000293 -0.001915 0.001240 322 H 25 S -0.001147 0.001573 -0.000508 0.001639 0.002182 323 H 25 X -0.004071 0.002648 -0.000312 0.002476 -0.000782 324 H 25 Y -0.000501 0.000360 0.000099 -0.000955 0.000444 325 H 25 Z 0.000226 0.000372 -0.000614 -0.001001 0.000305 326 C 26 S -0.009712 -0.002827 0.004045 0.001932 0.007298 327 C 26 S -0.017116 -0.003987 0.008080 0.005137 0.012343 328 C 26 S 0.078428 0.053443 -0.026482 0.032704 -0.089717 329 C 26 X 0.003769 0.000124 0.002191 -0.000138 -0.002031 330 C 26 Y -0.002299 0.001001 0.001328 -0.000511 0.004062 331 C 26 Z 0.000684 0.003482 0.003786 0.003331 0.000948 332 C 26 X -0.008431 -0.015569 -0.015584 0.008119 -0.009107 333 C 26 Y 0.001565 -0.006071 -0.004987 -0.006933 -0.023808 334 C 26 Z 0.031930 0.016311 -0.013268 -0.006860 -0.023579 335 C 26 XX 0.003273 -0.001668 -0.000741 0.007148 -0.007830 336 C 26 YY -0.005234 0.000015 -0.001790 -0.001476 0.004323 337 C 26 ZZ 0.001960 0.001653 0.002532 -0.005672 0.003507 338 C 26 XY -0.000954 -0.000425 -0.004102 -0.005625 0.005998 339 C 26 XZ -0.002810 0.000294 -0.002341 -0.009269 0.003109 340 C 26 YZ 0.005095 0.000388 -0.000622 -0.001706 -0.008846 341 H 27 S -0.005100 -0.004242 0.005727 0.005320 0.001343 342 H 27 S -0.004824 -0.007914 -0.007255 -0.017787 -0.001394 343 H 27 X 0.000107 -0.004583 0.001278 0.003767 0.002429 344 H 27 Y -0.002892 -0.000325 0.000612 -0.001001 0.003556 345 H 27 Z 0.001648 0.005035 0.005186 -0.003874 0.001259 346 H 28 S -0.005116 -0.002788 0.000958 -0.001516 0.000763 347 H 28 S -0.001225 -0.000586 -0.002558 0.000217 0.008901 348 H 28 X 0.003142 0.002833 0.001018 -0.002571 -0.001660 349 H 28 Y -0.003231 0.001932 0.001911 -0.000228 0.002934 350 H 28 Z -0.004223 0.000060 0.001475 0.000712 -0.001761 351 H 29 S -0.003515 -0.006275 -0.002011 -0.014405 0.013760 352 H 29 S 0.007336 -0.001791 0.001004 -0.010052 0.000713 353 H 29 X 0.003421 0.001212 0.001973 0.006279 -0.005941 354 H 29 Y -0.001025 0.001110 -0.000521 -0.003971 0.003989 355 H 29 Z 0.003748 -0.005258 -0.003040 -0.001793 0.000954 356 C 30 S -0.002687 0.005769 -0.001869 -0.002777 -0.003740 357 C 30 S -0.005258 0.008844 -0.003612 -0.005168 -0.007876 358 C 30 S 0.005685 -0.084030 -0.020972 0.022953 -0.015334 359 C 30 X 0.000155 -0.002318 -0.002152 -0.001107 -0.001054 360 C 30 Y 0.004605 -0.001982 0.003745 0.001611 0.001032 361 C 30 Z 0.004083 0.004499 0.006855 0.001325 0.008252 362 C 30 X 0.000416 0.002314 0.025286 -0.006619 0.030506 363 C 30 Y 0.005920 0.001297 -0.014168 -0.014007 -0.010990 364 C 30 Z 0.014112 0.030222 0.013662 -0.020083 0.003716 365 C 30 XX 0.012149 -0.005048 0.003625 0.001039 0.003222 366 C 30 YY -0.003235 0.004714 0.000813 -0.001945 0.000177 367 C 30 ZZ -0.008914 0.000334 -0.004438 0.000905 -0.003399 368 C 30 XY 0.002377 -0.006627 0.001532 -0.001612 0.003099 369 C 30 XZ 0.002197 -0.006909 -0.001676 -0.000009 0.000283 370 C 30 YZ 0.005521 -0.007750 0.003975 0.002650 0.002200 371 H 31 S 0.004309 0.000332 0.001709 -0.002606 0.003040 372 H 31 S -0.001846 0.004128 -0.004855 -0.001170 -0.005375 373 H 31 X -0.001937 -0.000714 -0.003269 0.002045 -0.000278 374 H 31 Y 0.003855 -0.003525 0.001212 0.002355 0.001846 375 H 31 Z 0.000495 -0.002267 -0.001482 0.001412 0.000004 376 H 32 S -0.003985 0.003417 0.002168 -0.005883 0.003817 377 H 32 S -0.022983 -0.002461 0.008285 0.010433 0.022951 378 H 32 X -0.000422 0.001465 -0.003696 -0.001861 -0.000549 379 H 32 Y 0.004995 -0.000133 0.003142 0.001528 0.000536 380 H 32 Z 0.008658 0.003104 0.003600 0.000077 0.000139 381 H 33 S -0.004373 0.013773 -0.001842 0.001621 -0.004363 382 H 33 S 0.005393 0.003493 -0.006870 0.009640 -0.010465 383 H 33 X 0.003721 -0.006446 0.000494 -0.001095 0.000578 384 H 33 Y 0.001820 -0.003849 0.003512 0.000456 0.002202 385 H 33 Z -0.005485 -0.000195 -0.000955 -0.000688 0.001281 386 H 34 S 0.002544 -0.000119 -0.001558 0.004648 -0.000207 387 H 34 S -0.000610 0.000589 0.005532 -0.001139 0.002964 388 H 34 X 0.000975 -0.000879 -0.000194 -0.000687 0.000622 389 H 34 Y -0.001085 -0.000127 0.000500 -0.000878 -0.000184 390 H 34 Z -0.000268 0.000170 -0.000336 -0.000346 -0.000783 391 F 35 S -0.046494 0.071865 0.016701 0.092463 0.017554 392 F 35 S -0.092721 0.147089 0.034570 0.190995 0.035983 393 F 35 S 0.288330 -0.392746 -0.084652 -0.354940 -0.076638 394 F 35 X 0.016374 0.002731 0.000473 0.022144 0.001397 395 F 35 Y -0.001291 -0.013910 0.032646 0.006459 0.015596 396 F 35 Z -0.005740 -0.013727 -0.004135 -0.039929 -0.004410 397 F 35 X 0.032587 -0.080358 -0.005717 -0.142989 -0.018288 398 F 35 Y 0.018167 0.056707 -0.152293 -0.027098 -0.114093 399 F 35 Z 0.000179 0.072568 0.016445 0.216870 0.024442 400 F 35 XX 0.157024 0.010932 0.088032 -0.114526 0.017004 401 F 35 YY -0.098173 0.071488 -0.097565 0.207860 -0.007730 402 F 35 ZZ -0.058851 -0.082420 0.009533 -0.093335 -0.009274 403 F 35 XY 0.086969 0.151363 -0.453969 -0.050849 -0.305643 404 F 35 XZ 0.065111 0.200878 0.023823 0.509745 0.047225 405 F 35 YZ -0.057162 -0.098810 0.302687 0.057014 0.062839 406 F 36 S 0.055434 0.031383 0.023320 0.041217 0.006062 407 F 36 S 0.113179 0.065742 0.048329 0.084417 0.012498 408 F 36 S -0.271430 -0.093373 -0.087391 -0.216132 -0.027954 409 F 36 X 0.016703 -0.019306 -0.007315 -0.033101 -0.003183 410 F 36 Y -0.005826 -0.017317 0.024870 -0.002132 -0.011203 411 F 36 Z 0.005776 0.026476 0.014207 -0.004486 -0.000783 412 F 36 X -0.076314 0.075921 0.026909 0.153110 0.015610 413 F 36 Y 0.021131 0.063416 -0.085505 0.004774 0.088442 414 F 36 Z -0.071039 -0.102805 -0.063230 -0.013414 0.004163 415 F 36 XX 0.077563 0.127813 0.042425 -0.013991 -0.020668 416 F 36 YY -0.006259 0.115117 0.113253 0.002869 -0.049333 417 F 36 ZZ -0.071304 -0.242930 -0.155678 0.011122 0.070001 418 F 36 XY -0.008457 -0.095368 0.176044 -0.042461 0.088047 419 F 36 XZ -0.061189 0.158583 0.095446 0.408222 0.036511 420 F 36 YZ 0.046116 0.165251 -0.188603 -0.033847 0.459031 421 C 37 S 0.005682 -0.000459 -0.005222 0.005960 -0.005704 422 C 37 S 0.008758 -0.001356 -0.008987 0.009987 -0.008495 423 C 37 S -0.179590 0.010838 0.092014 -0.063326 0.111250 424 C 37 X -0.000846 0.004994 0.004353 0.000635 -0.003457 425 C 37 Y 0.003240 0.000019 0.000249 0.002478 -0.002708 426 C 37 Z -0.001952 -0.000741 0.003209 0.000557 0.003359 427 C 37 X 0.120023 -0.028730 -0.039094 0.018404 -0.069496 428 C 37 Y -0.108343 0.072222 0.033166 0.015999 -0.013070 429 C 37 Z -0.011203 0.009772 0.020421 -0.002407 0.019663 430 C 37 XX -0.003699 0.006163 0.012695 -0.006383 -0.000273 431 C 37 YY -0.003090 -0.007695 -0.005233 -0.000352 0.010797 432 C 37 ZZ 0.006789 0.001532 -0.007463 0.006735 -0.010524 433 C 37 XY 0.000447 -0.004896 -0.006922 -0.003777 0.001685 434 C 37 XZ -0.001281 0.001732 -0.003112 0.001108 -0.004523 435 C 37 YZ 0.000248 -0.001942 -0.007170 -0.000054 -0.002896 436 S 38 S 0.001752 0.000103 0.000408 0.001257 -0.001652 437 S 38 S 0.011800 0.001138 0.003621 0.008663 -0.011962 438 S 38 S 0.011407 0.002821 0.006758 0.009730 -0.015172 439 S 38 S -0.104861 0.025692 0.025954 -0.088265 0.158326 440 S 38 X 0.000067 -0.001580 0.000957 -0.002344 0.000409 441 S 38 Y 0.002885 -0.001709 -0.003350 0.003788 -0.002487 442 S 38 Z -0.000594 0.000743 0.000903 0.001009 -0.001094 443 S 38 X 0.000390 -0.004624 0.004475 -0.009548 0.000742 444 S 38 Y 0.011945 -0.006433 -0.013422 0.013501 -0.006672 445 S 38 Z -0.001922 0.003185 0.003783 0.004344 -0.005326 446 S 38 X -0.011136 0.016851 -0.021477 0.037782 0.007075 447 S 38 Y 0.042820 -0.004906 -0.018896 0.054180 -0.057810 448 S 38 Z 0.008455 -0.000191 -0.015136 -0.003565 -0.002738 449 S 38 XX -0.000221 -0.000243 -0.006397 0.006520 0.002004 450 S 38 YY -0.004572 0.001941 0.009960 -0.008829 -0.003081 451 S 38 ZZ 0.004793 -0.001697 -0.003563 0.002308 0.001076 452 S 38 XY -0.000251 -0.000324 -0.001055 0.000061 -0.000081 453 S 38 XZ 0.000429 -0.000161 -0.000164 -0.000238 0.000295 454 S 38 YZ -0.001581 -0.001300 0.001034 -0.001056 0.001968 455 S 38 XX -0.000964 -0.001265 -0.004685 0.013057 0.001532 456 S 38 YY -0.002331 0.000077 0.005077 -0.014686 -0.003026 457 S 38 ZZ 0.003295 0.001188 -0.000392 0.001630 0.001494 458 S 38 XY 0.000987 -0.007184 -0.007584 -0.001035 0.008044 459 S 38 XZ 0.000432 0.001343 0.002724 0.001624 -0.000100 460 S 38 YZ -0.005704 -0.003676 0.003581 -0.003385 0.014355 461 H 39 S -0.008869 0.002064 -0.010719 0.006881 0.000730 462 H 39 S -0.036113 0.012112 0.008750 -0.005199 0.014086 463 H 39 X -0.004427 0.003572 0.007786 -0.001732 0.003064 464 H 39 Y 0.004131 -0.004084 -0.001483 -0.000139 0.003822 465 H 39 Z 0.000608 -0.001117 -0.000794 0.000441 -0.000140 421 422 423 424 425 4.4315 4.4560 4.4661 4.4759 4.5135 A A A A A 1 C 1 S -0.000206 -0.001253 0.012781 0.001969 0.024327 2 C 1 S -0.000080 -0.002439 0.022248 0.003290 0.040261 3 C 1 S 0.127717 -0.106935 -0.097497 0.037544 -0.268112 4 C 1 X -0.007585 0.009510 -0.000359 -0.001651 0.011419 5 C 1 Y 0.001546 -0.004927 -0.000217 0.003935 0.005860 6 C 1 Z 0.001298 -0.001215 0.001124 0.000427 -0.000029 7 C 1 X -0.071411 0.099736 0.131411 -0.009846 0.258804 8 C 1 Y -0.013367 0.116773 -0.038653 -0.071884 -0.226027 9 C 1 Z 0.001503 -0.003808 -0.014697 -0.005314 -0.018821 10 C 1 XX 0.006654 -0.013891 -0.011562 0.000732 -0.026446 11 C 1 YY -0.006214 0.011548 -0.000189 -0.002495 0.000508 12 C 1 ZZ -0.000440 0.002342 0.011751 0.001763 0.025937 13 C 1 XY 0.003001 -0.013730 0.005818 0.004203 0.014967 14 C 1 XZ 0.000412 0.001707 0.001847 0.001332 0.001084 15 C 1 YZ 0.000712 0.002063 -0.000604 -0.001995 -0.000545 16 C 2 S 0.011060 -0.001123 0.013642 0.001479 0.006590 17 C 2 S 0.021221 -0.004744 0.026084 0.003293 0.017847 18 C 2 S -0.300012 -0.270949 -0.314619 0.021743 0.104130 19 C 2 X -0.000262 0.004856 0.002229 0.001769 -0.003424 20 C 2 Y 0.004604 -0.008839 -0.009577 0.001286 0.007084 21 C 2 Z -0.003124 -0.001722 -0.002444 0.000638 -0.003622 22 C 2 X -0.113311 0.198177 0.084479 -0.072584 0.042802 23 C 2 Y -0.072324 -0.263195 -0.283193 0.050983 -0.117940 24 C 2 Z 0.003891 -0.024258 -0.016564 0.010335 -0.041381 25 C 2 XX -0.011519 0.021764 0.013899 -0.001218 0.030056 26 C 2 YY 0.014025 -0.030136 -0.015400 0.002137 -0.020028 27 C 2 ZZ -0.002506 0.008372 0.001501 -0.000919 -0.010028 28 C 2 XY 0.009526 -0.037053 0.003796 0.003695 -0.020468 29 C 2 XZ 0.002365 0.001548 -0.001421 0.000899 -0.008659 30 C 2 YZ -0.005464 -0.004038 -0.003019 0.004170 -0.004941 31 C 3 S 0.006704 0.040587 0.040469 -0.000235 0.090229 32 C 3 S 0.007604 0.088303 0.070501 -0.004312 0.157274 33 C 3 S -0.402951 0.210690 -0.674588 -0.368826 -2.553803 34 C 3 X 0.019741 -0.088802 0.010350 0.018594 -0.001941 35 C 3 Y 0.000594 0.055858 0.010556 -0.011831 -0.009656 36 C 3 Z 0.000219 -0.006821 0.000841 0.009117 0.000701 37 C 3 X 0.284573 -0.388900 0.464453 0.295001 1.595714 38 C 3 Y -0.391412 -0.620630 -0.782287 0.014200 -0.754757 39 C 3 Z -0.009035 -0.017761 -0.037297 -0.003903 0.121016 40 C 3 XX 0.000157 0.052738 -0.041007 -0.014488 -0.053389 41 C 3 YY -0.015186 -0.019817 0.010255 0.007564 0.002305 42 C 3 ZZ 0.015030 -0.032921 0.030752 0.006924 0.051084 43 C 3 XY 0.035021 -0.092956 0.001682 0.020128 0.016360 44 C 3 XZ 0.005427 -0.008379 0.004003 -0.013773 -0.006165 45 C 3 YZ -0.014785 -0.006947 -0.005846 0.006337 0.000357 46 C 4 S 0.005629 -0.019378 0.006978 0.003269 0.016046 47 C 4 S 0.009755 -0.031362 0.015047 0.005394 0.031883 48 C 4 S 0.020133 0.554097 0.051738 -0.110659 -0.109068 49 C 4 X -0.006935 -0.019044 -0.018863 0.001470 -0.014561 50 C 4 Y -0.001637 -0.009881 -0.010864 0.000904 -0.009753 51 C 4 Z 0.003078 -0.003426 -0.001690 0.000465 -0.004930 52 C 4 X -0.006553 -0.179333 -0.104043 0.018047 -0.058354 53 C 4 Y 0.053759 0.007371 0.011889 0.018317 0.299741 54 C 4 Z 0.009695 -0.119074 -0.007687 0.072495 -0.018772 55 C 4 XX 0.008655 0.009007 0.014287 0.002834 0.011849 56 C 4 YY -0.005366 -0.005257 -0.008228 -0.004189 -0.013105 57 C 4 ZZ -0.003288 -0.003750 -0.006060 0.001355 0.001256 58 C 4 XY -0.000841 0.015985 0.005280 0.002332 0.007877 59 C 4 XZ -0.006260 0.011023 0.007896 -0.003886 0.008285 60 C 4 YZ 0.001195 -0.002875 0.007798 0.001164 0.000358 61 S 5 S 0.000825 0.001632 0.000882 -0.000214 0.000077 62 S 5 S 0.005853 0.011517 0.006356 -0.001416 0.001021 63 S 5 S 0.006779 0.013671 0.007710 -0.001443 0.002385 64 S 5 S -0.001327 -0.082057 -0.005726 0.035187 0.094917 65 S 5 X -0.000076 0.001441 -0.000496 -0.001134 -0.003881 66 S 5 Y 0.000475 0.000203 -0.000154 -0.000166 -0.001407 67 S 5 Z 0.000301 0.000448 0.000332 -0.000225 0.001801 68 S 5 X 0.000479 0.004488 -0.000760 -0.003595 -0.011669 69 S 5 Y 0.001107 -0.000168 -0.000026 -0.000429 -0.003910 70 S 5 Z 0.000997 0.001931 0.001187 -0.000855 0.006806 71 S 5 X 0.007026 0.026426 -0.000917 -0.010463 -0.045657 72 S 5 Y -0.015841 0.031136 0.036230 -0.007693 0.029832 73 S 5 Z -0.000960 0.007138 0.007518 0.000557 0.015989 74 S 5 XX -0.001056 -0.000212 -0.001081 0.000097 0.000296 75 S 5 YY 0.000372 -0.001312 0.000644 0.000632 0.001250 76 S 5 ZZ 0.000684 0.001524 0.000437 -0.000730 -0.001546 77 S 5 XY 0.000470 0.000541 0.000153 0.000000 0.001029 78 S 5 XZ 0.000043 -0.000689 -0.000348 0.000154 -0.001676 79 S 5 YZ -0.000048 0.000631 0.000404 -0.000215 0.001329 80 S 5 XX -0.001443 0.001604 -0.005941 -0.001015 -0.007003 81 S 5 YY -0.000173 -0.007051 0.001057 0.000709 -0.005223 82 S 5 ZZ 0.001616 0.005447 0.004885 0.000306 0.012225 83 S 5 XY 0.003764 0.003333 -0.000885 0.000403 0.002212 84 S 5 XZ -0.000982 -0.003658 -0.003045 0.001177 -0.014277 85 S 5 YZ -0.001118 0.006613 0.001853 -0.001031 0.001387 86 H 6 S -0.011876 0.039763 0.001099 -0.007656 0.002732 87 H 6 S -0.030033 -0.051182 -0.080054 0.004926 -0.071777 88 H 6 X -0.002079 0.003019 -0.012858 0.002662 -0.005988 89 H 6 Y -0.002077 0.008746 -0.001450 -0.001145 -0.002853 90 H 6 Z -0.001461 0.001141 0.000044 0.000130 0.002180 91 C 7 S -0.028052 -0.061076 0.040990 -0.026937 -0.048598 92 C 7 S -0.054066 -0.119015 0.067246 -0.048182 -0.085452 93 C 7 S 0.304177 0.501219 -0.934051 0.459893 1.762320 94 C 7 X 0.015944 0.063883 0.019757 0.006541 0.006249 95 C 7 Y 0.025076 0.058312 0.001472 0.005020 -0.013017 96 C 7 Z -0.007697 -0.013384 -0.008711 0.007986 -0.008520 97 C 7 X 0.050344 0.179613 0.306359 -0.180044 -0.925122 98 C 7 Y -0.270908 -0.500064 0.538018 -0.217895 -0.425524 99 C 7 Z -0.033866 -0.040531 -0.038537 0.010264 0.256894 100 C 7 XX 0.011916 -0.009258 -0.036563 0.010718 0.011263 101 C 7 YY -0.005449 0.009599 0.002065 -0.000119 0.006683 102 C 7 ZZ -0.006466 -0.000341 0.034498 -0.010599 -0.017946 103 C 7 XY -0.012411 -0.048540 -0.017771 0.006955 0.018683 104 C 7 XZ 0.013653 0.018185 0.034057 -0.018555 -0.014589 105 C 7 YZ 0.021219 0.012053 0.008210 -0.006420 -0.009107 106 C 8 S -0.001063 -0.002101 0.004036 -0.005100 -0.012323 107 C 8 S -0.002795 -0.005460 0.007462 -0.009343 -0.021228 108 C 8 S -0.077117 -0.087799 0.052331 -0.009008 0.105421 109 C 8 X -0.002140 0.001471 -0.004290 0.003642 0.005794 110 C 8 Y 0.004600 0.004473 -0.003584 0.003933 0.002754 111 C 8 Z 0.001520 0.001680 -0.001897 0.000911 0.001652 112 C 8 X 0.000699 -0.060095 0.083604 -0.058409 -0.132627 113 C 8 Y 0.022477 0.056624 0.041433 -0.057004 -0.129187 114 C 8 Z 0.000368 0.001179 0.011493 -0.009205 -0.021514 115 C 8 XX 0.000178 0.003790 -0.003143 0.001198 0.004071 116 C 8 YY -0.000595 -0.004022 -0.000608 0.002733 0.005163 117 C 8 ZZ 0.000417 0.000232 0.003751 -0.003931 -0.009234 118 C 8 XY 0.002065 0.006011 -0.004528 0.002063 0.011383 119 C 8 XZ 0.000575 0.000214 0.000032 0.000576 0.000849 120 C 8 YZ -0.000987 -0.001990 -0.000295 0.000927 0.003482 121 C 9 S 0.000319 0.017029 -0.004092 -0.006284 -0.020363 122 C 9 S -0.001814 0.027022 -0.003140 -0.012268 -0.036983 123 C 9 S -0.216717 -0.520364 0.141313 0.031991 0.219941 124 C 9 X 0.015440 0.020103 -0.014567 0.006375 0.007428 125 C 9 Y -0.002304 -0.003729 0.008480 -0.000882 -0.003528 126 C 9 Z 0.001771 -0.004323 0.003577 0.000102 0.010503 127 C 9 X -0.029998 0.103793 -0.130317 0.027974 -0.012781 128 C 9 Y -0.139656 0.002077 -0.053716 -0.051046 0.225619 129 C 9 Z -0.136455 -0.165906 0.053598 -0.009970 -0.149781 130 C 9 XX -0.014852 -0.007204 0.008525 -0.007667 -0.002170 131 C 9 YY 0.003633 0.004956 0.004041 0.005950 0.008824 132 C 9 ZZ 0.011219 0.002249 -0.012566 0.001717 -0.006654 133 C 9 XY -0.002154 0.005670 -0.008519 0.004799 0.004710 134 C 9 XZ -0.001901 0.011068 -0.005464 -0.000523 -0.000828 135 C 9 YZ -0.008241 -0.002916 -0.000380 -0.002373 0.005584 136 C 10 S 0.025431 0.019737 -0.001291 -0.005357 -0.065280 137 C 10 S 0.047419 0.039001 0.002874 -0.012268 -0.124905 138 C 10 S -0.500293 -0.853130 0.351773 0.065410 0.599893 139 C 10 X 0.011803 0.012215 -0.023795 0.008684 0.065455 140 C 10 Y -0.011688 0.034941 0.026723 -0.007062 0.005413 141 C 10 Z -0.030099 -0.005890 0.001467 -0.015740 -0.002200 142 C 10 X -0.397518 -0.843183 0.696784 -0.442811 -2.051249 143 C 10 Y 0.339748 0.812986 0.248294 -0.163394 -1.562847 144 C 10 Z 0.102597 0.130144 -0.152170 0.087215 0.146165 145 C 10 XX 0.066734 0.137820 0.020667 -0.008396 -0.017575 146 C 10 YY -0.044837 -0.124340 0.020227 0.006638 0.008732 147 C 10 ZZ -0.021897 -0.013481 -0.040893 0.001758 0.008843 148 C 10 XY 0.065792 0.233544 0.060450 -0.009319 0.061548 149 C 10 XZ 0.050462 -0.023504 0.004071 -0.013489 0.014007 150 C 10 YZ -0.002280 0.017434 0.027355 -0.026120 -0.008135 151 C 11 S -0.028673 -0.012133 -0.005614 -0.018900 0.041158 152 C 11 S -0.044182 -0.029641 -0.009274 -0.030356 0.083543 153 C 11 S 0.849531 0.444195 0.516337 0.495587 0.129342 154 C 11 X 0.007501 -0.029241 -0.013613 0.004102 -0.067131 155 C 11 Y 0.020055 0.033655 -0.023585 -0.000385 -0.009633 156 C 11 Z -0.021737 -0.000895 -0.000498 -0.018152 -0.002555 157 C 11 X 0.485695 0.434794 0.890598 0.131408 2.897880 158 C 11 Y 0.234012 1.149420 0.026053 -0.334423 -1.512861 159 C 11 Z 0.028572 -0.040947 0.115736 0.007193 0.004827 160 C 11 XX 0.039468 -0.220546 -0.003771 0.045358 0.010786 161 C 11 YY -0.001672 0.175279 0.023857 -0.016898 0.020942 162 C 11 ZZ -0.037796 0.045267 -0.020086 -0.028460 -0.031728 163 C 11 XY -0.004469 0.212352 -0.024676 -0.027167 0.029933 164 C 11 XZ 0.059349 -0.005644 0.016439 -0.011941 0.011038 165 C 11 YZ 0.019827 0.034667 -0.002311 0.010885 -0.019963 166 C 12 S 0.007940 0.021079 0.028201 0.026997 -0.004635 167 C 12 S -0.026597 -0.014976 0.170594 0.002839 -0.098336 168 C 12 S -0.566160 -1.137303 1.226639 -0.953126 -1.602947 169 C 12 X 0.013871 0.029064 -0.115533 0.039466 0.050740 170 C 12 Y 0.021202 -0.098914 0.182738 -0.164540 -0.145721 171 C 12 Z -0.180579 0.056666 0.141993 0.039694 -0.148390 172 C 12 X 0.073228 -0.058413 0.093148 -0.104948 -0.192178 173 C 12 Y -0.139437 -0.240548 -0.194097 0.126528 0.365536 174 C 12 Z -0.119164 -0.030831 0.057583 0.091231 0.013843 175 C 12 XX 0.103645 0.088080 -0.200328 0.132154 0.220717 176 C 12 YY -0.083438 -0.141266 -0.056295 -0.125431 0.073191 177 C 12 ZZ -0.020208 0.053186 0.256623 -0.006723 -0.293908 178 C 12 XY 0.087974 0.280895 -0.079186 0.067074 0.093833 179 C 12 XZ 0.177274 -0.067224 -0.024484 0.041175 0.028547 180 C 12 YZ -0.203197 -0.157148 -0.161962 0.109236 0.118844 181 C 13 S -0.009466 -0.004393 0.093900 0.034249 0.002092 182 C 13 S 0.019942 -0.009957 0.224586 0.212446 -0.011594 183 C 13 S 0.443188 0.087678 -0.458395 1.316807 -0.243082 184 C 13 X 0.068961 -0.037368 0.049290 -0.330367 0.055517 185 C 13 Y 0.019895 -0.022520 0.017296 -0.009203 -0.000439 186 C 13 Z -0.171459 0.036335 -0.168410 -0.170034 0.009544 187 C 13 X -0.097233 0.010563 -0.131431 0.113413 0.015905 188 C 13 Y 0.054682 0.182304 0.067733 -0.006652 0.178162 189 C 13 Z -0.357497 0.132622 -0.247908 -0.008090 -0.088619 190 C 13 XX 0.041766 -0.005934 -0.114844 0.140991 -0.050916 191 C 13 YY -0.150250 0.065243 -0.069961 -0.355201 0.079992 192 C 13 ZZ 0.108484 -0.059309 0.184805 0.214211 -0.029076 193 C 13 XY 0.029300 0.166356 0.002564 0.055707 0.041709 194 C 13 XZ 0.303138 -0.043303 -0.025549 -0.191567 0.045222 195 C 13 YZ -0.046164 -0.153524 -0.031556 -0.080643 -0.093061 196 C 14 S 0.000183 -0.027613 0.007708 0.050270 -0.020962 197 C 14 S -0.024893 -0.014172 0.118807 0.072544 0.092124 198 C 14 S -0.026462 0.915009 1.373324 -0.766511 2.340327 199 C 14 X 0.017490 -0.003860 -0.076503 -0.010436 -0.057014 200 C 14 Y -0.003742 -0.027319 -0.185932 0.082522 -0.273076 201 C 14 Z -0.201508 -0.006042 0.054349 0.092803 0.095106 202 C 14 X 0.155455 0.099693 0.097433 -0.094475 0.156491 203 C 14 Y 0.064406 -0.381137 0.080426 -0.046554 0.477282 204 C 14 Z -0.057729 0.039561 -0.075790 0.117990 0.170266 205 C 14 XX 0.048281 -0.130234 -0.184027 0.074148 -0.338576 206 C 14 YY -0.087694 0.277223 -0.005541 -0.143545 -0.028103 207 C 14 ZZ 0.039413 -0.146989 0.189567 0.069397 0.366680 208 C 14 XY -0.036232 0.214443 0.097154 -0.043417 0.133812 209 C 14 XZ 0.180480 0.071664 -0.026097 0.033087 -0.096718 210 C 14 YZ 0.145596 -0.150865 0.051858 -0.079054 0.076093 211 F 15 S -0.126662 -0.057879 0.138845 -0.022112 -0.129190 212 F 15 S -0.258268 -0.119285 0.278891 -0.043730 -0.257557 213 F 15 S 0.573825 0.288281 -0.663697 0.133261 0.635642 214 F 15 X 0.010840 0.002741 0.012117 -0.007655 0.001031 215 F 15 Y -0.004542 -0.028625 -0.009153 -0.001671 0.014944 216 F 15 Z 0.024908 0.018022 -0.026270 0.001033 0.016316 217 F 15 X -0.014913 0.006768 -0.123462 0.036202 0.081713 218 F 15 Y 0.042824 0.153613 0.077235 -0.004151 -0.102851 219 F 15 Z -0.277568 -0.106576 0.348765 -0.055293 -0.341384 220 F 15 XX -0.273408 -0.042402 0.195327 -0.048781 -0.194596 221 F 15 YY -0.143941 -0.036234 0.236291 0.000295 -0.195487 222 F 15 ZZ 0.417349 0.078636 -0.431618 0.048486 0.390083 223 F 15 XY 0.069853 0.028526 0.084023 -0.037479 -0.030056 224 F 15 XZ -0.009424 -0.037414 0.309139 -0.043945 -0.258041 225 F 15 YZ -0.205332 -0.385863 -0.220021 0.010202 0.207317 226 F 16 S -0.017973 -0.112173 0.116607 -0.088181 -0.077529 227 F 16 S -0.038025 -0.226552 0.235603 -0.176677 -0.154873 228 F 16 S 0.107467 0.564266 -0.521715 0.431280 0.365062 229 F 16 X 0.001827 0.016497 0.010493 -0.015727 -0.009013 230 F 16 Y -0.008954 0.003357 -0.034968 0.014166 0.023881 231 F 16 Z -0.026562 -0.026918 -0.002009 -0.002341 0.003317 232 F 16 X -0.021289 -0.049970 -0.090564 0.118934 0.075159 233 F 16 Y 0.068594 -0.165459 0.305875 -0.208613 -0.237604 234 F 16 Z 0.129172 0.228457 -0.068033 0.109996 0.038029 235 F 16 XX -0.006268 -0.312293 0.184967 -0.113601 -0.139745 236 F 16 YY -0.293070 0.076962 -0.392808 0.146330 0.310847 237 F 16 ZZ 0.299337 0.235330 0.207841 -0.032728 -0.171101 238 F 16 XY 0.057830 0.144329 0.228159 -0.232964 -0.149411 239 F 16 XZ 0.006817 0.002847 -0.037959 0.097441 0.014827 240 F 16 YZ -0.128793 -0.371822 0.149063 -0.243138 -0.074027 241 F 17 S 0.014084 0.074812 0.136055 -0.071324 0.136381 242 F 17 S 0.026634 0.151469 0.275353 -0.143425 0.273083 243 F 17 S -0.060296 -0.403457 -0.642382 0.366387 -0.638842 244 F 17 X -0.005493 -0.019490 0.000498 -0.009217 0.010072 245 F 17 Y 0.007969 -0.018528 0.029780 -0.005986 0.035933 246 F 17 Z -0.011546 0.029636 0.008812 -0.007046 0.008130 247 F 17 X 0.017401 0.091935 -0.018997 0.056323 -0.064076 248 F 17 Y -0.106531 0.021623 -0.277226 0.115439 -0.354879 249 F 17 Z 0.016611 -0.224699 -0.168926 0.141294 -0.203192 250 F 17 XX 0.094312 0.170212 0.229116 -0.121432 0.275231 251 F 17 YY -0.262736 0.266106 -0.241936 -0.038445 -0.343612 252 F 17 ZZ 0.168424 -0.436318 0.012820 0.159877 0.068381 253 F 17 XY 0.070360 0.202242 -0.044173 0.089720 -0.108634 254 F 17 XZ 0.009819 0.137392 -0.006810 0.053166 -0.043785 255 F 17 YZ -0.113394 -0.135487 -0.297046 0.203774 -0.367420 256 F 18 S -0.101775 0.076459 0.110078 0.010033 0.185730 257 F 18 S -0.206966 0.157169 0.221761 0.020606 0.371667 258 F 18 S 0.449762 -0.372396 -0.517095 -0.018283 -0.928054 259 F 18 X 0.007896 -0.006655 0.012812 -0.003792 0.007835 260 F 18 Y -0.008590 -0.026755 0.007159 0.010303 0.017642 261 F 18 Z 0.017423 -0.025397 -0.024787 -0.000553 -0.018232 262 F 18 X -0.004339 -0.002952 -0.106747 0.005671 -0.140838 263 F 18 Y 0.064986 0.138135 -0.091196 -0.052728 -0.220186 264 F 18 Z -0.225648 0.179465 0.268077 0.011543 0.405680 265 F 18 XX -0.233709 0.093321 0.163280 -0.013853 0.229394 266 F 18 YY -0.145418 0.222721 0.109361 0.002975 0.101979 267 F 18 ZZ 0.379127 -0.316042 -0.272641 0.010877 -0.331373 268 F 18 XY -0.061961 0.086822 -0.120424 -0.017142 -0.134053 269 F 18 XZ -0.043891 0.074430 0.216446 0.030503 0.292048 270 F 18 YZ -0.092289 -0.346630 0.221417 0.136942 0.408056 271 C 19 S -0.003357 -0.004774 0.004813 -0.003466 -0.003799 272 C 19 S -0.006219 -0.009042 0.008633 -0.006186 -0.007240 273 C 19 S 0.015756 0.021411 -0.076471 0.063626 0.097474 274 C 19 X -0.000606 -0.000490 0.001269 -0.000987 0.000147 275 C 19 Y 0.000206 0.001448 0.000632 -0.000441 0.001869 276 C 19 Z 0.000255 0.000312 0.000085 -0.000048 0.000158 277 C 19 X -0.005556 -0.004538 0.014578 -0.010883 -0.012290 278 C 19 Y -0.012983 -0.020241 0.028975 -0.022909 -0.030744 279 C 19 Z 0.001940 -0.004750 0.004149 -0.002619 -0.008719 280 C 19 XX -0.001318 -0.004953 0.003500 -0.002145 -0.002421 281 C 19 YY 0.001990 0.003642 -0.001852 0.001159 -0.001073 282 C 19 ZZ -0.000672 0.001310 -0.001648 0.000986 0.003495 283 C 19 XY 0.001486 0.000816 -0.000472 0.000054 -0.002970 284 C 19 XZ -0.000218 -0.000675 0.000531 -0.000201 -0.000638 285 C 19 YZ 0.000709 -0.000670 0.000331 0.000181 -0.000318 286 H 20 S -0.000296 0.002456 0.000184 -0.001453 -0.002013 287 H 20 S 0.003811 0.004360 0.000800 -0.000609 -0.001312 288 H 20 X -0.001864 -0.004216 0.001886 -0.000912 -0.001246 289 H 20 Y -0.001080 -0.000984 0.000653 -0.000534 -0.001343 290 H 20 Z -0.000597 0.000132 0.000131 -0.000147 0.000103 291 H 21 S -0.001016 -0.005651 0.006076 -0.003467 -0.005047 292 H 21 S 0.004234 0.003541 -0.002273 0.001580 -0.002941 293 H 21 X 0.000165 0.000537 0.000303 -0.000574 -0.000619 294 H 21 Y 0.000112 0.002683 -0.001118 0.000348 0.001819 295 H 21 Z 0.001003 0.000864 0.000442 -0.000369 -0.001200 296 C 22 S 0.001506 0.001813 0.007374 0.001086 0.008198 297 C 22 S 0.002612 0.003495 0.013976 0.001751 0.015512 298 C 22 S -0.019963 0.040189 -0.069845 -0.046726 -0.168945 299 C 22 X -0.000898 0.001023 -0.000842 -0.000011 0.000641 300 C 22 Y -0.000509 0.000201 0.001909 -0.001070 0.002369 301 C 22 Z -0.000268 -0.000124 0.000104 -0.000199 0.000449 302 C 22 X 0.015782 -0.016767 0.009299 0.010076 -0.000328 303 C 22 Y 0.002184 -0.002801 -0.028617 -0.011508 -0.064480 304 C 22 Z 0.001006 0.001281 -0.000422 0.000043 -0.000075 305 C 22 XX -0.000791 0.003251 -0.000814 -0.000719 -0.001478 306 C 22 YY 0.002840 -0.010055 -0.003300 0.003164 0.000622 307 C 22 ZZ -0.002048 0.006804 0.004114 -0.002445 0.000857 308 C 22 XY 0.001688 -0.001699 -0.000965 0.001436 -0.002611 309 C 22 XZ -0.000461 -0.000788 -0.000201 0.000387 0.000129 310 C 22 YZ 0.000727 -0.000693 0.000044 -0.000394 0.000719 311 H 23 S 0.000698 0.001333 0.005515 0.000247 0.003137 312 H 23 S 0.007752 -0.010849 -0.004690 0.002828 -0.007757 313 H 23 X 0.000442 0.002851 0.002995 -0.000694 0.001602 314 H 23 Y -0.001432 0.000238 -0.000680 -0.000447 0.001692 315 H 23 Z -0.000411 -0.000375 -0.000451 -0.000280 -0.000140 316 H 24 S 0.002309 -0.003730 0.001002 0.002770 0.005734 317 H 24 S -0.001433 -0.000045 -0.000294 -0.000207 0.000308 318 H 24 X -0.001766 0.001280 0.000209 -0.000468 0.003682 319 H 24 Y 0.000286 -0.000192 -0.001527 0.000054 -0.003958 320 H 24 Z -0.000401 0.002200 0.000424 -0.001013 -0.003026 321 H 25 S 0.002557 -0.005240 0.000510 0.003699 0.007094 322 H 25 S -0.001162 0.001728 0.001133 -0.000044 0.007398 323 H 25 X -0.001780 0.001459 0.000475 -0.000575 0.002393 324 H 25 Y 0.000268 0.000120 -0.001565 -0.000720 -0.002574 325 H 25 Z -0.000071 -0.002494 -0.000711 0.001180 0.002987 326 C 26 S 0.007639 0.009360 -0.004735 0.001805 -0.002246 327 C 26 S 0.013143 0.016871 -0.007642 0.002696 -0.006299 328 C 26 S -0.084617 -0.070601 0.031880 -0.030093 -0.099246 329 C 26 X -0.006084 -0.001484 0.001602 -0.001552 0.002121 330 C 26 Y -0.000594 0.003485 -0.001788 0.001470 0.002474 331 C 26 Z -0.004001 0.005321 0.000769 -0.001281 -0.007970 332 C 26 X -0.012150 0.003353 -0.001359 0.005014 -0.025447 333 C 26 Y -0.028950 -0.029931 0.018270 0.002840 -0.007235 334 C 26 Z -0.057556 -0.019474 0.008973 -0.010008 -0.018842 335 C 26 XX 0.000405 -0.002445 0.006942 -0.004653 -0.008424 336 C 26 YY 0.006292 -0.000451 -0.005226 0.003537 0.003291 337 C 26 ZZ -0.006697 0.002895 -0.001716 0.001116 0.005133 338 C 26 XY 0.013805 0.008544 -0.000466 0.002332 -0.003814 339 C 26 XZ 0.011519 0.009305 -0.003461 0.002567 -0.000070 340 C 26 YZ -0.001370 -0.005517 0.005732 0.000050 -0.013370 341 H 27 S -0.007285 -0.002713 -0.004891 0.002695 0.010120 342 H 27 S -0.044628 0.002411 0.003480 0.004827 -0.004518 343 H 27 X -0.011300 0.000870 0.003838 -0.001486 0.011009 344 H 27 Y -0.009071 0.001644 -0.005620 0.002124 0.004645 345 H 27 Z -0.006061 0.002534 -0.002272 0.001108 -0.000357 346 H 28 S 0.007702 0.006757 -0.001818 0.002830 -0.008467 347 H 28 S 0.004003 0.009508 -0.011016 0.001360 0.012690 348 H 28 X 0.001045 0.000217 0.002228 -0.001672 -0.003156 349 H 28 Y 0.002628 0.001016 -0.004029 0.001599 0.004877 350 H 28 Z 0.003319 -0.000240 -0.002758 0.002624 -0.001597 351 H 29 S 0.012553 0.008455 -0.004008 0.004838 0.016130 352 H 29 S -0.001010 -0.008679 0.004591 -0.002255 0.017078 353 H 29 X -0.004706 -0.005209 0.002829 -0.002663 -0.005546 354 H 29 Y 0.004842 0.003847 -0.002890 0.000853 0.002970 355 H 29 Z 0.002213 -0.002687 0.000764 0.000275 0.001227 356 C 30 S -0.003769 -0.007539 -0.006491 0.001592 -0.002874 357 C 30 S -0.005909 -0.014384 -0.011308 0.003388 -0.004318 358 C 30 S 0.015520 0.031168 0.036623 -0.021055 0.016591 359 C 30 X 0.004195 0.000431 0.002199 0.000060 -0.001315 360 C 30 Y 0.000459 0.001796 0.003148 0.002130 0.004639 361 C 30 Z -0.001607 0.006805 0.000055 0.000253 0.001763 362 C 30 X 0.010767 0.022152 -0.011694 -0.006317 0.015402 363 C 30 Y -0.009905 -0.020517 -0.005403 0.010998 -0.027838 364 C 30 Z -0.008179 -0.009810 -0.018138 0.024138 0.001227 365 C 30 XX 0.001936 -0.002871 0.013202 0.005601 0.013103 366 C 30 YY -0.000717 0.003727 -0.007540 -0.001185 -0.003759 367 C 30 ZZ -0.001219 -0.000856 -0.005662 -0.004416 -0.009344 368 C 30 XY 0.011519 0.005454 0.007889 0.001201 0.004196 369 C 30 XZ 0.006103 0.002076 0.007218 0.000425 0.001705 370 C 30 YZ 0.001362 0.001177 0.010378 -0.000665 0.011826 371 H 31 S -0.002604 -0.005060 0.002878 0.000172 0.000059 372 H 31 S -0.004774 -0.004964 0.000166 -0.000633 -0.014517 373 H 31 X 0.000149 -0.001266 0.002188 0.000473 0.003993 374 H 31 Y 0.001832 -0.001035 0.008759 0.000712 0.008761 375 H 31 Z 0.001553 -0.000538 0.001694 0.000760 0.002319 376 H 32 S 0.005726 0.005973 -0.007621 0.001769 -0.006836 377 H 32 S 0.013683 0.010568 -0.004354 -0.022478 0.014955 378 H 32 X 0.006716 -0.001218 0.005019 -0.002922 -0.003047 379 H 32 Y -0.002488 -0.001061 0.006241 0.001547 0.005987 380 H 32 Z -0.002057 0.001154 0.003492 0.002035 0.003152 381 H 33 S -0.011894 -0.002806 -0.011844 -0.003331 -0.011008 382 H 33 S -0.006540 -0.003384 0.009140 -0.001975 -0.008218 383 H 33 X 0.004343 0.001248 0.005834 0.001922 0.003117 384 H 33 Y 0.004720 0.002023 0.004280 0.001638 0.007980 385 H 33 Z 0.003605 -0.002754 0.000247 0.000105 0.003506 386 H 34 S -0.002286 -0.003433 0.005652 -0.003797 -0.004730 387 H 34 S -0.000821 0.004778 -0.003186 0.001117 0.006018 388 H 34 X 0.000109 0.001444 0.000127 -0.000641 -0.000963 389 H 34 Y 0.001321 0.002230 -0.000605 0.000382 -0.000250 390 H 34 Z -0.000163 -0.000388 -0.000466 0.000522 0.000767 391 F 35 S -0.005490 0.016389 -0.007572 0.180946 -0.034989 392 F 35 S -0.009456 0.032599 -0.014265 0.364377 -0.069878 393 F 35 S 0.016669 -0.083537 0.078229 -0.841648 0.184202 394 F 35 X -0.010409 0.004506 0.001654 0.039882 -0.000975 395 F 35 Y -0.000089 -0.011663 0.003902 0.000129 -0.013958 396 F 35 Z -0.037601 0.006298 -0.005717 0.001753 -0.003972 397 F 35 X 0.111225 -0.062210 0.039560 -0.477448 0.077964 398 F 35 Y 0.007108 0.059150 -0.010789 -0.028870 0.078854 399 F 35 Z 0.173920 -0.017281 -0.011722 0.102550 -0.007276 400 F 35 XX 0.329891 -0.130823 -0.024018 -0.654777 0.075608 401 F 35 YY 0.003745 0.062936 -0.016961 0.401505 -0.043433 402 F 35 ZZ -0.333636 0.067886 0.040979 0.253271 -0.032176 403 F 35 XY 0.068866 0.246867 -0.001010 -0.082303 0.212725 404 F 35 XZ 0.240313 0.011971 -0.107096 0.224237 -0.024484 405 F 35 YZ 0.042103 -0.032542 -0.014795 0.030997 0.011263 406 F 36 S 0.150476 -0.029046 0.099324 0.163468 -0.005526 407 F 36 S 0.306326 -0.058861 0.200543 0.329397 -0.011191 408 F 36 S -0.715894 0.139507 -0.435449 -0.778245 0.019132 409 F 36 X -0.023564 0.005059 -0.001159 0.011826 -0.002617 410 F 36 Y 0.000692 0.010350 -0.001172 -0.002098 0.001994 411 F 36 Z 0.016714 -0.000600 0.019213 0.034153 -0.003445 412 F 36 X 0.123865 -0.021569 -0.003167 -0.055977 0.006014 413 F 36 Y 0.011383 -0.080638 0.018448 0.034524 -0.021997 414 F 36 Z -0.277039 0.045418 -0.246624 -0.422300 0.026910 415 F 36 XX 0.125465 -0.032796 0.242638 0.218926 -0.004446 416 F 36 YY 0.201762 -0.001626 0.158870 0.352328 -0.029250 417 F 36 ZZ -0.327227 0.034422 -0.401507 -0.571253 0.033697 418 F 36 XY -0.054795 -0.031721 0.015645 -0.000086 0.003257 419 F 36 XZ 0.375384 -0.062055 -0.065107 -0.156775 0.019591 420 F 36 YZ 0.026499 -0.211081 0.045706 0.085367 -0.055450 421 C 37 S -0.012723 -0.011160 0.007232 -0.004273 0.002561 422 C 37 S -0.021330 -0.018767 0.012663 -0.007859 0.004539 423 C 37 S 0.221059 0.204415 -0.011742 0.005418 -0.156890 424 C 37 X -0.003098 -0.002480 -0.001697 0.001056 0.001549 425 C 37 Y -0.005071 -0.001068 0.001876 -0.002590 -0.001460 426 C 37 Z 0.001135 0.001723 -0.000523 -0.000306 0.006894 427 C 37 X -0.108812 -0.059178 0.027045 -0.010857 0.087697 428 C 37 Y -0.026832 0.019348 -0.060130 0.019856 0.030946 429 C 37 Z -0.008143 0.020615 -0.023409 0.003235 0.037832 430 C 37 XX 0.001149 -0.003735 -0.003345 0.000119 0.001964 431 C 37 YY 0.009523 0.015017 -0.002790 0.002518 0.002747 432 C 37 ZZ -0.010672 -0.011281 0.006135 -0.002637 -0.004712 433 C 37 XY 0.005348 0.001398 -0.003591 0.002235 0.001348 434 C 37 XZ -0.000766 -0.002635 -0.000018 0.000471 -0.010528 435 C 37 YZ 0.002457 -0.001748 0.001588 -0.000011 -0.004337 436 S 38 S -0.001246 -0.000167 0.001053 -0.000193 0.000761 437 S 38 S -0.008692 -0.001220 0.007719 -0.001610 0.004074 438 S 38 S -0.010034 -0.002236 0.010442 -0.002851 -0.000119 439 S 38 S 0.105237 0.123424 -0.119294 0.027576 -0.056170 440 S 38 X 0.000917 0.002462 -0.002326 0.000557 0.005196 441 S 38 Y -0.002663 -0.004315 0.003280 -0.000802 0.004129 442 S 38 Z -0.000665 -0.000095 0.000703 -0.000226 -0.002220 443 S 38 X 0.004283 0.011311 -0.008751 0.002342 0.018309 444 S 38 Y -0.008586 -0.012909 0.010018 -0.002220 0.015115 445 S 38 Z -0.003201 -0.000516 0.002595 -0.000653 -0.008692 446 S 38 X -0.005722 -0.064618 0.029104 -0.010917 -0.026964 447 S 38 Y -0.044520 -0.073719 0.060902 -0.015245 0.010482 448 S 38 Z 0.005162 -0.000591 0.002673 0.000109 -0.015042 449 S 38 XX -0.000714 -0.002387 0.002690 -0.001387 -0.001013 450 S 38 YY 0.002107 0.001916 -0.002047 0.000469 -0.004819 451 S 38 ZZ -0.001393 0.000471 -0.000643 0.000918 0.005832 452 S 38 XY 0.000181 0.000601 0.002552 -0.001361 -0.008603 453 S 38 XZ 0.000479 0.000213 -0.000195 -0.000030 0.000856 454 S 38 YZ 0.000445 0.000178 -0.000445 0.000147 0.001285 455 S 38 XX -0.004044 -0.015108 0.010282 -0.004831 -0.007432 456 S 38 YY 0.004805 0.009948 -0.007113 0.002907 -0.000635 457 S 38 ZZ -0.000761 0.005160 -0.003169 0.001924 0.008067 458 S 38 XY -0.002232 -0.003567 -0.002582 -0.001472 -0.007727 459 S 38 XZ -0.001427 0.000306 0.000517 -0.000045 -0.008823 460 S 38 YZ 0.003999 -0.000001 -0.002644 -0.001811 0.023478 461 H 39 S -0.002084 -0.005148 -0.002827 0.002176 -0.001800 462 H 39 S 0.023248 0.004145 -0.017023 0.007240 -0.016966 463 H 39 X 0.003280 0.002810 -0.000254 -0.000684 -0.001564 464 H 39 Y 0.004375 0.003074 0.001869 -0.000351 -0.003761 465 H 39 Z 0.002173 0.000149 0.002222 -0.000097 -0.001914 426 427 428 429 430 4.5588 4.5760 4.6137 4.9404 4.9732 A A A A A 1 C 1 S -0.002579 0.003671 0.010916 -0.003759 -0.007841 2 C 1 S -0.004103 0.007174 0.018573 -0.006808 -0.013604 3 C 1 S 0.088945 0.013458 0.115085 0.053554 0.093813 4 C 1 X -0.004170 -0.010699 -0.006449 0.000088 0.000473 5 C 1 Y 0.003098 0.000568 0.008058 -0.002577 -0.002778 6 C 1 Z -0.002455 0.000533 0.001386 -0.000288 0.004343 7 C 1 X -0.046472 0.011242 0.004752 -0.047398 -0.084466 8 C 1 Y -0.033901 -0.016947 -0.158769 0.043218 0.088471 9 C 1 Z 0.012739 0.002342 -0.003791 0.008047 -0.087968 10 C 1 XX 0.004482 0.007041 -0.005817 -0.000763 -0.004358 11 C 1 YY -0.001886 -0.006686 -0.006287 0.003969 0.007985 12 C 1 ZZ -0.002596 -0.000355 0.012103 -0.003205 -0.003627 13 C 1 XY 0.000696 0.002994 0.010722 -0.004507 -0.009964 14 C 1 XZ -0.000509 -0.002605 0.000428 0.000248 -0.038771 15 C 1 YZ -0.004103 -0.000654 0.001173 -0.000131 -0.049910 16 C 2 S -0.002072 0.012911 0.018912 0.001972 0.001317 17 C 2 S -0.004230 0.026287 0.037339 0.002940 0.001005 18 C 2 S -0.135800 -0.097921 -0.488719 -0.020428 0.001443 19 C 2 X 0.006250 -0.004868 0.006209 -0.001006 -0.000402 20 C 2 Y -0.005954 0.014363 0.001443 0.001989 0.000990 21 C 2 Z 0.009415 0.002330 -0.005465 0.000796 -0.004995 22 C 2 X -0.049394 0.021978 -0.197679 -0.060824 -0.061768 23 C 2 Y 0.034963 -0.001874 -0.188983 -0.001002 0.011563 24 C 2 Z -0.015616 -0.009123 -0.009211 -0.005866 0.047546 25 C 2 XX -0.004928 -0.023228 0.003069 -0.001700 -0.002640 26 C 2 YY 0.007781 0.026754 0.002549 -0.001452 -0.003845 27 C 2 ZZ -0.002853 -0.003526 -0.005618 0.003152 0.006485 28 C 2 XY 0.006901 0.015470 0.001057 -0.007469 -0.007202 29 C 2 XZ 0.006442 -0.000415 -0.001846 0.000132 0.004293 30 C 2 YZ 0.011396 0.001354 -0.008708 -0.001104 0.015812 31 C 3 S -0.004541 0.005855 0.069175 -0.005423 -0.024606 32 C 3 S -0.014877 0.003797 0.118615 -0.007210 -0.040563 33 C 3 S 0.008389 -0.468223 -1.477337 0.241365 0.771900 34 C 3 X 0.030752 0.027855 0.018171 -0.003280 -0.004899 35 C 3 Y -0.006231 -0.007166 0.007463 0.002704 0.002098 36 C 3 Z 0.020861 -0.001141 -0.003672 0.000777 0.002248 37 C 3 X -0.088462 0.039950 1.215128 0.105348 -0.182962 38 C 3 Y -0.170549 -0.232017 -0.956198 0.174532 0.366779 39 C 3 Z 0.012655 0.014714 -0.004061 0.039037 -0.003676 40 C 3 XX -0.022316 0.005990 -0.042497 0.012035 0.020217 41 C 3 YY 0.006606 -0.032426 -0.006925 -0.002593 -0.002517 42 C 3 ZZ 0.015710 0.026436 0.049422 -0.009442 -0.017700 43 C 3 XY 0.015569 0.049977 0.054247 0.003958 -0.007763 44 C 3 XZ -0.044530 0.009775 0.008622 0.002985 0.002497 45 C 3 YZ 0.029758 0.002209 -0.015944 0.006019 0.009957 46 C 4 S -0.022061 -0.010831 0.010485 0.017626 0.008537 47 C 4 S -0.039293 -0.020945 0.019288 0.030099 0.017154 48 C 4 S 0.242861 0.135062 -0.174183 -0.370597 -0.168857 49 C 4 X 0.001193 -0.000702 -0.010278 0.001171 0.000524 50 C 4 Y -0.004483 0.003818 -0.016678 -0.005215 0.011494 51 C 4 Z -0.006180 0.003445 -0.003248 0.002595 -0.015270 52 C 4 X -0.124829 -0.073524 -0.105784 0.113088 0.196776 53 C 4 Y 0.019598 -0.056040 0.237794 0.029895 0.033359 54 C 4 Z 0.000643 -0.120562 0.112540 0.076525 0.030607 55 C 4 XX 0.000106 0.001041 0.025365 -0.005353 -0.002180 56 C 4 YY 0.005535 -0.006774 -0.014156 -0.000066 -0.002045 57 C 4 ZZ -0.005641 0.005733 -0.011209 0.005419 0.004226 58 C 4 XY 0.010449 -0.008579 -0.005332 -0.019132 -0.018037 59 C 4 XZ 0.003569 0.007203 -0.000660 -0.003405 0.001246 60 C 4 YZ -0.003408 -0.005689 0.004988 0.004128 -0.012512 61 S 5 S -0.000270 -0.000627 0.000445 0.000808 0.000315 62 S 5 S -0.001882 -0.004751 0.003616 0.005835 0.001962 63 S 5 S -0.002050 -0.006731 0.005333 0.006978 0.001353 64 S 5 S 0.035561 -0.001745 0.111023 -0.014732 -0.052160 65 S 5 X -0.000453 0.001517 -0.004415 -0.001538 0.000518 66 S 5 Y 0.000346 -0.001677 0.001010 0.000656 -0.000750 67 S 5 Z 0.000479 0.000253 0.001406 0.000010 -0.002201 68 S 5 X -0.001435 0.005116 -0.012782 -0.004604 0.001782 69 S 5 Y 0.001434 -0.005182 0.002953 0.000905 -0.003514 70 S 5 Z 0.001735 0.001070 0.004828 -0.000085 -0.007195 71 S 5 X -0.006289 0.007478 -0.034440 0.009137 0.025816 72 S 5 Y -0.004441 0.020222 0.007384 -0.006220 -0.010321 73 S 5 Z 0.000111 0.003716 0.010600 -0.003258 0.024435 74 S 5 XX -0.000080 -0.001251 0.000938 -0.009773 -0.016051 75 S 5 YY -0.000171 0.000135 0.000688 0.006203 0.022446 76 S 5 ZZ 0.000251 0.001116 -0.001626 0.003570 -0.006395 77 S 5 XY 0.000049 0.001410 -0.001272 0.000497 -0.019653 78 S 5 XZ -0.000595 0.000247 0.000395 -0.010317 -0.087428 79 S 5 YZ -0.000363 -0.000238 0.000243 0.009109 -0.233318 80 S 5 XX -0.002963 -0.008457 -0.009208 0.025056 0.037724 81 S 5 YY 0.005754 0.006010 0.003932 -0.016229 -0.051906 82 S 5 ZZ -0.002790 0.002447 0.005277 -0.008828 0.014182 83 S 5 XY 0.000247 -0.002101 0.003464 -0.004910 0.041753 84 S 5 XZ 0.003416 -0.003318 -0.010548 0.024021 0.189850 85 S 5 YZ 0.006787 0.004453 0.003610 -0.021025 0.493041 86 H 6 S -0.007504 -0.007932 -0.017842 0.001633 0.003301 87 H 6 S 0.032007 0.031575 -0.087121 -0.008425 -0.007248 88 H 6 X 0.003750 -0.010244 -0.000494 0.003271 0.003915 89 H 6 Y 0.000297 0.002979 -0.003262 0.003922 0.003511 90 H 6 Z 0.005384 0.001011 -0.001609 0.000923 -0.000815 91 C 7 S 0.043473 0.014806 0.067773 -0.006444 0.009283 92 C 7 S 0.083813 0.016708 0.120049 -0.013517 0.012089 93 C 7 S -0.576147 -0.885583 -1.152441 -0.159807 -0.831370 94 C 7 X -0.036821 0.061770 -0.005939 0.004194 -0.005126 95 C 7 Y -0.018785 0.019880 -0.005552 -0.007977 0.013487 96 C 7 Z -0.010765 -0.011502 -0.002758 0.008383 0.030662 97 C 7 X 0.359270 -0.052090 0.727041 0.333275 0.366470 98 C 7 Y 0.160013 0.666732 0.529457 0.217837 0.359440 99 C 7 Z -0.103348 0.060889 -0.086108 -0.188243 -0.321573 100 C 7 XX 0.024578 -0.012986 -0.013347 -0.001748 -0.020204 101 C 7 YY -0.015049 -0.025203 -0.017218 0.001918 0.012257 102 C 7 ZZ -0.009529 0.038189 0.030565 -0.000169 0.007947 103 C 7 XY 0.004986 -0.038587 -0.030420 -0.011492 -0.034656 104 C 7 XZ 0.027591 0.005193 0.013844 0.026743 -0.010933 105 C 7 YZ 0.026371 -0.001874 0.011122 -0.036033 -0.098823 106 C 8 S 0.006465 -0.007940 0.009464 0.013337 0.007777 107 C 8 S 0.011625 -0.013986 0.016393 0.023206 0.013949 108 C 8 S -0.041178 0.242183 -0.081685 -0.296036 -0.107079 109 C 8 X -0.006271 0.009819 -0.007904 -0.003964 -0.008958 110 C 8 Y -0.001563 -0.009877 -0.004031 -0.002166 -0.004143 111 C 8 Z 0.000594 -0.002612 -0.000784 -0.013313 -0.001719 112 C 8 X 0.097880 -0.081504 0.103000 -0.024228 0.032548 113 C 8 Y 0.064815 -0.050475 0.179650 0.308291 0.239537 114 C 8 Z 0.002568 -0.004734 0.018294 0.222716 -0.050230 115 C 8 XX -0.000997 0.001756 -0.000651 0.013206 0.002290 116 C 8 YY -0.003852 0.003210 -0.007912 -0.017314 -0.013125 117 C 8 ZZ 0.004849 -0.004966 0.008563 0.004108 0.010834 118 C 8 XY -0.005497 -0.003633 -0.007426 -0.000545 -0.025303 119 C 8 XZ -0.001101 -0.000809 0.001202 -0.108096 0.046533 120 C 8 YZ -0.002167 0.001165 -0.000990 0.015239 0.022877 121 C 9 S 0.014503 -0.021719 -0.002322 0.021458 -0.001949 122 C 9 S 0.025283 -0.036077 -0.003207 0.039233 -0.002889 123 C 9 S -0.256429 0.549776 -0.159899 -0.245562 0.017272 124 C 9 X -0.000192 -0.018482 0.000974 -0.011499 0.012855 125 C 9 Y 0.005280 -0.000457 0.015706 0.006227 -0.022785 126 C 9 Z 0.000323 -0.006259 0.007194 -0.013806 -0.008931 127 C 9 X 0.000180 -0.057336 -0.149887 0.035651 -0.148816 128 C 9 Y -0.092062 0.303338 -0.342080 -0.333091 0.036979 129 C 9 Z -0.086497 0.204681 -0.101952 0.100000 0.059912 130 C 9 XX 0.003436 0.020730 0.007425 0.004660 0.022316 131 C 9 YY -0.005927 -0.005450 0.000186 -0.008979 -0.019028 132 C 9 ZZ 0.002490 -0.015280 -0.007610 0.004319 -0.003287 133 C 9 XY 0.006264 0.008328 0.002256 -0.005155 0.001194 134 C 9 XZ 0.000076 0.000719 -0.005831 0.024402 -0.005346 135 C 9 YZ -0.002255 0.007712 -0.004031 -0.008176 0.026888 136 C 10 S 0.041483 -0.023518 0.019392 -0.019300 -0.015669 137 C 10 S 0.063534 -0.028344 0.044580 -0.031452 -0.025116 138 C 10 S -0.702838 0.656916 0.752576 0.568616 0.595830 139 C 10 X -0.001707 -0.007829 -0.038889 0.000449 -0.012961 140 C 10 Y 0.002354 -0.008688 -0.014559 0.000433 -0.001066 141 C 10 Z -0.015933 0.016772 -0.003026 -0.004174 -0.022750 142 C 10 X 0.796726 0.766023 0.595455 0.336529 0.751804 143 C 10 Y 0.646454 -0.297631 0.771541 -0.037976 0.301565 144 C 10 Z 0.034511 -0.269826 -0.167362 0.037053 0.085799 145 C 10 XX -0.006093 0.064900 0.037967 -0.009655 0.001518 146 C 10 YY -0.045419 -0.010559 -0.050951 0.027518 0.005125 147 C 10 ZZ 0.051512 -0.054340 0.012983 -0.017863 -0.006642 148 C 10 XY -0.052483 0.115306 0.023452 0.014612 0.015207 149 C 10 XZ 0.078260 -0.037197 0.028156 0.002110 -0.030886 150 C 10 YZ 0.047149 -0.006111 0.003921 0.017761 0.002232 151 C 11 S -0.044994 0.041889 -0.034911 0.011143 0.004810 152 C 11 S -0.065590 0.078629 -0.044632 0.016969 0.006335 153 C 11 S 1.132421 -0.698378 2.005658 -0.251815 -0.271739 154 C 11 X -0.000231 -0.001420 -0.032005 0.002195 0.006883 155 C 11 Y 0.006979 -0.000769 0.015716 -0.003500 0.006104 156 C 11 Z 0.024164 0.011043 -0.011168 0.005177 0.005645 157 C 11 X -0.550854 0.589837 1.218155 -0.155465 -0.723126 158 C 11 Y 0.406676 -0.236050 -0.268339 -0.218586 0.049372 159 C 11 Z -0.139975 0.003541 0.178091 -0.044108 -0.078549 160 C 11 XX 0.062502 0.073539 0.059430 0.002409 -0.006098 161 C 11 YY 0.008799 -0.064719 -0.026712 -0.016851 -0.002045 162 C 11 ZZ -0.071302 -0.008819 -0.032719 0.014442 0.008143 163 C 11 XY -0.069753 -0.038834 -0.050091 0.005562 0.008537 164 C 11 XZ -0.078676 0.016680 0.050637 -0.000340 0.003823 165 C 11 YZ 0.039406 -0.020656 -0.006413 0.004862 0.003276 166 C 12 S -0.063610 -0.048452 0.004719 -0.014670 0.000017 167 C 12 S -0.096347 -0.087815 0.030287 -0.025433 0.002446 168 C 12 S 1.040788 0.868593 0.206080 0.218394 0.263515 169 C 12 X -0.007883 -0.016073 -0.021340 0.002672 0.010340 170 C 12 Y 0.210010 -0.105969 0.145354 -0.001397 0.004241 171 C 12 Z -0.205609 0.275460 -0.175612 0.001436 0.004067 172 C 12 X 0.176882 0.290384 0.001995 0.022263 0.027051 173 C 12 Y -0.186169 -0.476661 -0.116654 -0.030496 -0.026149 174 C 12 Z -0.421105 0.260516 -0.080638 -0.049055 -0.106397 175 C 12 XX 0.002667 0.010256 -0.068268 0.002121 -0.011041 176 C 12 YY 0.204118 -0.370421 0.218168 0.001138 0.004218 177 C 12 ZZ -0.206785 0.360165 -0.149900 -0.003259 0.006823 178 C 12 XY -0.090862 0.189630 -0.021691 0.003218 -0.009900 179 C 12 XZ 0.114743 -0.148290 0.088790 -0.004342 -0.016848 180 C 12 YZ -0.295534 0.069290 -0.314253 -0.000809 -0.005040 181 C 13 S -0.003994 0.036203 -0.023458 0.003754 -0.016026 182 C 13 S -0.008474 0.044495 -0.014604 0.005917 -0.027915 183 C 13 S -0.046664 -0.852414 0.261010 -0.084513 0.135225 184 C 13 X -0.018104 -0.072004 -0.263916 -0.001669 -0.005442 185 C 13 Y -0.022443 -0.021742 -0.041551 -0.001867 -0.002377 186 C 13 Z 0.049355 0.250651 0.259678 -0.000065 -0.001581 187 C 13 X -0.071565 -0.611292 0.003525 -0.008023 0.072305 188 C 13 Y -0.166720 0.032371 0.015514 -0.031007 -0.074973 189 C 13 Z -0.001228 0.095355 0.245619 -0.023783 -0.000701 190 C 13 XX 0.074163 0.406625 0.417721 0.003215 0.001944 191 C 13 YY 0.022756 -0.005894 -0.020874 -0.002195 -0.003426 192 C 13 ZZ -0.096918 -0.400731 -0.396847 -0.001020 0.001482 193 C 13 XY 0.104133 -0.004017 0.066783 -0.001106 0.002645 194 C 13 XZ 0.059561 0.165760 -0.354951 -0.000927 -0.001486 195 C 13 YZ -0.111446 0.077079 0.006854 -0.001829 0.002256 196 C 14 S 0.061626 -0.075332 -0.002450 -0.002320 0.013383 197 C 14 S 0.094470 -0.127363 0.016207 -0.004135 0.020050 198 C 14 S -0.886652 1.153582 0.407034 -0.060832 -0.485264 199 C 14 X -0.052566 -0.026523 0.001465 -0.003053 -0.007251 200 C 14 Y 0.159133 -0.044104 -0.096886 -0.000680 -0.000932 201 C 14 Z 0.368014 0.141975 -0.183288 -0.001328 -0.003792 202 C 14 X -0.153444 0.158793 0.057043 -0.036242 -0.069155 203 C 14 Y -0.089674 0.581568 0.061752 0.039018 -0.084372 204 C 14 Z 0.511422 0.040403 -0.218906 0.030441 0.073659 205 C 14 XX 0.039614 0.033579 -0.066580 -0.002396 0.009735 206 C 14 YY -0.242251 -0.253230 0.076288 0.001273 0.001094 207 C 14 ZZ 0.202637 0.219651 -0.009708 0.001123 -0.010829 208 C 14 XY -0.046068 -0.061163 -0.058145 0.001690 -0.005199 209 C 14 XZ -0.138877 -0.102791 0.025696 0.001446 0.007800 210 C 14 YZ -0.481052 -0.044139 0.362948 -0.002419 -0.002401 211 F 15 S -0.065206 0.122916 -0.043032 0.000386 -0.004919 212 F 15 S -0.126254 0.239651 -0.083963 0.000670 -0.010193 213 F 15 S 0.348892 -0.660480 0.216338 -0.002990 0.028842 214 F 15 X 0.002911 -0.004827 -0.006443 0.000407 0.001590 215 F 15 Y -0.024662 -0.023028 -0.003798 -0.001705 0.000107 216 F 15 Z -0.014516 0.023514 -0.008046 -0.000723 -0.000363 217 F 15 X 0.051993 -0.095719 0.070607 -0.001014 0.003983 218 F 15 Y 0.080403 0.157614 0.061838 0.004443 -0.002571 219 F 15 Z -0.166757 0.302065 -0.136733 0.006222 0.008197 220 F 15 XX -0.084799 0.161511 -0.074560 0.001045 0.010227 221 F 15 YY -0.215985 0.217226 -0.164308 0.001111 0.006134 222 F 15 ZZ 0.300784 -0.378738 0.238868 -0.002156 -0.016361 223 F 15 XY 0.043528 0.008985 0.013170 0.002904 -0.004195 224 F 15 XZ -0.135740 0.202876 -0.101326 -0.002311 -0.005394 225 F 15 YZ -0.123380 -0.224487 -0.180649 -0.000635 -0.000478 226 F 16 S 0.132492 -0.121574 0.080189 0.003463 0.012524 227 F 16 S 0.261156 -0.239604 0.153737 0.006779 0.025105 228 F 16 S -0.682205 0.633009 -0.415075 -0.025772 -0.069125 229 F 16 X 0.003631 0.013176 -0.000899 -0.002832 -0.000304 230 F 16 Y -0.007217 -0.017290 0.009085 -0.000906 -0.002500 231 F 16 Z -0.016034 0.002520 -0.010895 -0.001451 -0.002541 232 F 16 X -0.119225 0.021156 -0.103351 0.005599 -0.005476 233 F 16 Y 0.358243 -0.213708 0.251595 0.010186 0.025983 234 F 16 Z -0.098863 0.179588 -0.095191 0.002331 0.002335 235 F 16 XX 0.168772 -0.208104 0.093784 0.002790 0.003775 236 F 16 YY -0.327884 0.118234 -0.251615 -0.001973 -0.008342 237 F 16 ZZ 0.159112 0.089870 0.157832 -0.000817 0.004567 238 F 16 XY 0.178630 -0.020169 0.208210 -0.000418 0.004589 239 F 16 XZ -0.097557 0.100650 -0.111307 0.001596 -0.002003 240 F 16 YZ 0.315091 -0.397123 0.257785 -0.001826 0.001318 241 F 17 S -0.184874 -0.039374 0.090989 -0.002498 -0.012714 242 F 17 S -0.365040 -0.077921 0.176250 -0.004894 -0.025319 243 F 17 S 0.957398 0.200078 -0.485198 0.020366 0.076632 244 F 17 X -0.001334 0.010106 -0.000704 0.000949 -0.001625 245 F 17 Y -0.000249 0.021535 -0.007518 0.001806 -0.000050 246 F 17 Z 0.012208 -0.005432 -0.011699 -0.000490 0.000486 247 F 17 X 0.060059 -0.046452 -0.053556 -0.002642 0.007185 248 F 17 Y 0.391142 -0.031188 -0.232246 -0.002936 0.022645 249 F 17 Z 0.282689 0.120026 -0.151118 0.004513 0.011082 250 F 17 XX -0.286019 -0.087208 0.138871 -0.002445 -0.004312 251 F 17 YY 0.167111 -0.146295 -0.165470 -0.000393 0.006020 252 F 17 ZZ 0.118908 0.233503 0.026599 0.002838 -0.001709 253 F 17 XY 0.041368 -0.084711 -0.102984 -0.001265 0.001328 254 F 17 XZ 0.074052 -0.018982 -0.100436 0.000151 0.001586 255 F 17 YZ 0.566581 0.125689 -0.333428 -0.001318 0.004950 256 F 18 S 0.115257 0.067657 -0.043643 0.002302 -0.001077 257 F 18 S 0.224392 0.131869 -0.084798 0.004533 -0.001621 258 F 18 S -0.602848 -0.355234 0.240848 -0.014116 0.011318 259 F 18 X -0.004013 -0.005824 0.001390 -0.000127 0.000070 260 F 18 Y -0.014406 0.029769 0.007975 0.000809 -0.000153 261 F 18 Z 0.020485 0.019000 -0.008830 0.000721 0.000215 262 F 18 X -0.100093 -0.043941 0.058177 -0.001918 0.001301 263 F 18 Y -0.087050 -0.228169 -0.016605 -0.007016 0.003777 264 F 18 Z 0.270434 0.126592 -0.131445 -0.000331 -0.017630 265 F 18 XX 0.128839 0.093357 -0.057804 -0.003303 -0.009217 266 F 18 YY 0.256021 -0.036901 -0.195277 0.001234 -0.003547 267 F 18 ZZ -0.384860 -0.056456 0.253082 0.002069 0.012764 268 F 18 XY -0.059113 -0.069737 0.007335 -0.000992 -0.001507 269 F 18 XZ 0.254142 0.083033 -0.123360 0.001355 -0.003213 270 F 18 YZ 0.231440 0.322165 0.037143 0.002244 -0.005170 271 C 19 S 0.002800 0.003541 0.004940 0.005383 0.004784 272 C 19 S 0.005198 0.006102 0.008790 0.010237 0.008740 273 C 19 S -0.063998 -0.013781 -0.128205 -0.124516 -0.120004 274 C 19 X 0.000106 0.001672 0.000756 -0.003301 -0.001926 275 C 19 Y -0.000804 0.001987 0.000788 0.000162 0.001515 276 C 19 Z -0.000044 0.000059 0.000042 -0.005042 0.002296 277 C 19 X 0.008569 0.008699 0.024045 0.052174 0.021964 278 C 19 Y 0.021306 0.010439 0.036157 0.032658 0.031155 279 C 19 Z 0.005080 -0.003149 0.013437 -0.090988 0.063532 280 C 19 XX 0.003923 -0.003490 0.000776 -0.014974 -0.014449 281 C 19 YY -0.000820 0.000449 0.000540 0.013096 0.003583 282 C 19 ZZ -0.003102 0.003041 -0.001317 0.001878 0.010866 283 C 19 XY 0.002260 -0.004547 0.001315 -0.001117 -0.001892 284 C 19 XZ 0.000198 -0.000559 0.000304 0.019995 -0.000781 285 C 19 YZ -0.000777 -0.001308 0.001433 -0.020368 0.026951 286 H 20 S -0.000309 0.004421 0.004491 0.011140 0.015087 287 H 20 S 0.001911 -0.003249 0.002501 -0.009737 0.001359 288 H 20 X 0.001361 -0.000309 -0.000697 -0.006806 -0.005980 289 H 20 Y -0.000118 0.001985 0.000274 -0.000251 0.003966 290 H 20 Z -0.000084 0.000793 -0.001044 0.004236 -0.006692 291 H 21 S 0.003808 -0.001075 0.007207 -0.025555 0.020954 292 H 21 S 0.000431 -0.002764 0.002974 -0.029671 0.015825 293 H 21 X 0.000019 0.000367 0.002062 -0.005946 0.009538 294 H 21 Y -0.000800 0.001104 0.000005 0.006382 0.000483 295 H 21 Z 0.001033 -0.001701 0.001825 -0.009946 0.005569 296 C 22 S 0.000313 0.000635 0.006618 -0.002431 -0.003156 297 C 22 S 0.000232 0.001286 0.011635 -0.004645 -0.006081 298 C 22 S -0.022779 -0.013835 -0.138837 0.034894 0.057424 299 C 22 X -0.000272 -0.000853 -0.000601 0.000383 -0.000380 300 C 22 Y -0.002119 0.000310 -0.002447 -0.001260 -0.001959 301 C 22 Z 0.000476 0.000470 -0.000087 -0.000060 0.002704 302 C 22 X 0.011929 0.004675 0.036410 -0.004256 -0.003835 303 C 22 Y -0.006150 -0.005466 -0.032278 0.012866 0.018419 304 C 22 Z -0.001544 -0.000492 -0.002482 0.001842 0.057054 305 C 22 XX 0.000392 0.000819 -0.002008 0.000017 0.002444 306 C 22 YY 0.002231 -0.000433 0.004940 0.000361 0.000560 307 C 22 ZZ -0.002623 -0.000385 -0.002931 -0.000379 -0.003004 308 C 22 XY 0.002552 -0.001044 0.003719 0.001611 0.001737 309 C 22 XZ 0.002211 0.000405 -0.000526 0.000885 0.018226 310 C 22 YZ -0.002508 0.000087 0.001327 -0.000862 0.001217 311 H 23 S 0.000152 0.002233 0.004318 -0.002413 -0.003831 312 H 23 S -0.001304 -0.004286 0.010657 0.001282 0.003322 313 H 23 X -0.000877 0.000533 0.001553 -0.000668 -0.001435 314 H 23 Y -0.002040 -0.000919 -0.002388 -0.000463 -0.000624 315 H 23 Z -0.000084 0.000162 -0.000236 -0.000228 -0.003006 316 H 24 S 0.000566 -0.000686 0.007535 -0.001942 -0.016708 317 H 24 S -0.002208 -0.000737 -0.001944 -0.000042 -0.018646 318 H 24 X -0.000211 -0.000041 -0.002065 0.000205 0.002270 319 H 24 Y 0.000188 -0.000559 -0.002315 0.000386 0.004545 320 H 24 Z 0.000746 0.000574 -0.001962 0.000180 0.006636 321 H 25 S 0.003289 -0.000280 0.007165 0.000025 0.015421 322 H 25 S 0.001116 0.001622 0.000884 0.000445 0.019192 323 H 25 X -0.002255 -0.000691 -0.002386 -0.000579 -0.004327 324 H 25 Y 0.000470 0.000324 -0.001114 0.000315 -0.003171 325 H 25 Z 0.001481 0.000140 0.001578 0.000233 0.006114 326 C 26 S 0.001380 -0.008917 -0.001697 0.013324 0.016494 327 C 26 S 0.001980 -0.014487 -0.003705 0.026255 0.031430 328 C 26 S -0.038221 0.109445 -0.082896 0.014647 -0.042645 329 C 26 X 0.002908 0.006120 0.003503 0.000375 -0.008323 330 C 26 Y 0.003199 0.000536 -0.002111 0.002112 0.004530 331 C 26 Z 0.000463 0.004798 -0.004363 0.011192 0.005386 332 C 26 X 0.006381 0.024159 0.000717 0.035768 0.105815 333 C 26 Y 0.013259 0.014189 0.062598 0.000453 -0.077486 334 C 26 Z -0.009940 0.055240 -0.023811 -0.013072 -0.019865 335 C 26 XX 0.001977 0.007286 0.007099 0.006163 0.001820 336 C 26 YY -0.001056 -0.011217 -0.003603 -0.003748 0.001439 337 C 26 ZZ -0.000921 0.003930 -0.003496 -0.002415 -0.003260 338 C 26 XY -0.003112 -0.018727 0.001769 -0.000052 0.009925 339 C 26 XZ -0.000527 -0.016948 0.001822 0.005691 0.014137 340 C 26 YZ -0.002352 -0.005416 0.014837 0.015143 -0.004869 341 H 27 S 0.001956 0.014092 -0.004513 -0.001294 0.005552 342 H 27 S 0.021038 0.027360 0.039549 0.007695 0.007189 343 H 27 X 0.010703 0.019348 0.007503 -0.006979 -0.014895 344 H 27 Y 0.001576 0.007156 -0.006627 0.001611 0.009952 345 H 27 Z -0.000084 0.001456 -0.000897 0.002230 -0.001065 346 H 28 S -0.002697 -0.010289 0.001957 0.019951 0.010956 347 H 28 S -0.011056 0.000617 -0.028270 0.000338 0.040170 348 H 28 X 0.002513 -0.004098 0.004911 0.004188 -0.004645 349 H 28 Y -0.000791 -0.002758 -0.007581 -0.002410 -0.006168 350 H 28 Z -0.004603 -0.004367 -0.002630 0.010673 -0.006545 351 H 29 S 0.000303 -0.020981 0.007112 -0.009380 -0.000697 352 H 29 S -0.003477 -0.002800 0.009562 -0.033297 -0.058727 353 H 29 X -0.000566 0.008972 -0.001320 0.006581 0.003019 354 H 29 Y -0.001717 -0.007019 -0.004691 -0.001982 0.004189 355 H 29 Z -0.003110 -0.000340 -0.001451 -0.004889 0.008157 356 C 30 S -0.005151 -0.004233 -0.004396 0.003427 -0.006066 357 C 30 S -0.010587 -0.007940 -0.007532 0.006124 -0.013607 358 C 30 S -0.031581 0.068714 -0.049907 -0.025335 -0.012215 359 C 30 X 0.003049 -0.000813 0.005263 0.001461 0.003124 360 C 30 Y 0.000315 0.001538 0.004709 -0.002567 -0.002467 361 C 30 Z 0.006349 0.000188 0.000604 -0.001561 0.005647 362 C 30 X 0.014490 -0.008204 0.012929 0.000604 -0.028061 363 C 30 Y -0.013126 -0.001816 -0.048645 -0.002959 0.045501 364 C 30 Z -0.001888 -0.026865 -0.001875 -0.007802 -0.039022 365 C 30 XX -0.000394 0.007379 0.013562 -0.002203 0.003946 366 C 30 YY 0.000778 -0.005801 -0.009305 -0.001877 -0.008196 367 C 30 ZZ -0.000384 -0.001578 -0.004256 0.004079 0.004250 368 C 30 XY 0.001644 0.000690 0.012466 0.001812 0.004183 369 C 30 XZ -0.001396 0.000866 0.003856 0.001195 0.010255 370 C 30 YZ -0.000882 0.004847 0.018689 0.001882 0.001529 371 H 31 S -0.000683 0.003300 0.005188 0.004252 0.016995 372 H 31 S -0.006862 0.000131 -0.020756 -0.003355 0.036973 373 H 31 X 0.000295 0.000781 0.004227 0.001114 0.000366 374 H 31 Y 0.001094 0.003067 0.014049 0.001112 0.004546 375 H 31 Z 0.004197 -0.001780 0.004214 0.000558 -0.004690 376 H 32 S -0.002377 -0.007764 -0.003398 0.004609 -0.002870 377 H 32 S 0.028229 -0.005829 0.048374 0.019138 0.009753 378 H 32 X 0.004773 -0.000181 0.009916 0.004791 0.006918 379 H 32 Y -0.004114 0.006450 0.004555 0.000392 0.001010 380 H 32 Z 0.001754 0.001887 -0.002523 -0.006183 -0.006764 381 H 33 S 0.002515 -0.004498 -0.009847 -0.000314 -0.017174 382 H 33 S 0.001963 0.009854 0.006940 0.006360 0.001686 383 H 33 X -0.001339 0.001783 0.004070 0.001350 0.002797 384 H 33 Y -0.001122 0.001047 0.008273 0.001753 -0.003133 385 H 33 Z 0.001150 -0.002861 0.005795 -0.000320 0.015329 386 H 34 S 0.005514 0.001037 0.003822 0.024481 -0.026172 387 H 34 S -0.003675 0.002560 -0.005341 0.032857 -0.026498 388 H 34 X 0.000426 0.000660 0.000798 0.009635 -0.003903 389 H 34 Y -0.000740 -0.000177 0.001568 0.006348 0.006888 390 H 34 Z -0.001089 0.001009 -0.000648 -0.008769 0.011207 391 F 35 S 0.025144 0.092195 0.130546 -0.002154 0.000246 392 F 35 S 0.050389 0.183108 0.251546 -0.004387 0.000313 393 F 35 S -0.125022 -0.483091 -0.702429 0.013200 -0.000936 394 F 35 X -0.001591 -0.022039 -0.021327 -0.000199 0.001644 395 F 35 Y -0.006582 0.001275 0.001428 -0.001916 -0.002953 396 F 35 Z -0.001788 -0.007691 0.015829 -0.000329 0.000677 397 F 35 X -0.042550 -0.114807 -0.418570 0.002618 -0.011510 398 F 35 Y 0.053716 -0.037620 -0.050247 0.007874 0.011918 399 F 35 Z 0.041807 0.167251 0.089092 0.001466 -0.001010 400 F 35 XX -0.017392 0.011552 -0.533298 -0.001201 -0.005095 401 F 35 YY 0.045395 0.102667 0.240938 0.000309 0.002460 402 F 35 ZZ -0.028003 -0.114220 0.292359 0.000892 0.002636 403 F 35 XY 0.122397 -0.070041 -0.092933 0.002015 0.000506 404 F 35 XZ 0.103210 0.402702 0.300248 0.001630 0.001330 405 F 35 YZ -0.004820 0.053590 0.013396 -0.000105 -0.002512 406 F 36 S -0.022652 -0.128770 -0.080341 -0.000643 0.005100 407 F 36 S -0.044166 -0.250273 -0.155226 -0.001273 0.010129 408 F 36 S 0.114303 0.698457 0.432433 0.003747 -0.031024 409 F 36 X -0.010305 -0.029537 0.006690 -0.000846 0.000443 410 F 36 Y 0.018783 -0.009901 -0.002413 0.000734 0.001203 411 F 36 Z 0.006897 0.026774 0.019378 -0.000090 0.000611 412 F 36 X 0.053223 0.179787 -0.087871 0.001918 -0.006079 413 F 36 Y -0.113216 0.008812 -0.029724 -0.001356 -0.001345 414 F 36 Z 0.049234 0.346073 0.256604 0.003045 -0.011718 415 F 36 XX -0.040176 -0.281256 -0.225007 0.001801 0.004017 416 F 36 YY -0.018965 -0.191827 -0.183903 -0.002966 -0.001716 417 F 36 ZZ 0.059141 0.473083 0.408910 0.001165 -0.002301 418 F 36 XY -0.094734 -0.007313 0.024192 -0.002022 -0.003648 419 F 36 XZ 0.075902 0.277144 -0.274472 -0.000760 -0.004033 420 F 36 YZ -0.195200 -0.009442 -0.087878 -0.002118 -0.002140 421 C 37 S -0.000618 0.020278 0.002926 -0.020017 -0.010241 422 C 37 S -0.000181 0.032846 0.006934 -0.033878 -0.020090 423 C 37 S 0.112899 -0.403150 0.305774 0.532979 0.214880 424 C 37 X -0.001752 0.003781 -0.004804 -0.000714 0.006010 425 C 37 Y 0.000257 0.010366 -0.000450 -0.003424 0.003256 426 C 37 Z -0.000294 0.001115 -0.001717 0.009525 0.004332 427 C 37 X -0.073301 0.265765 -0.108221 -0.212051 -0.058426 428 C 37 Y -0.052606 0.016889 -0.034012 0.183121 0.064068 429 C 37 Z 0.003849 0.009111 -0.023867 -0.112031 0.001967 430 C 37 XX 0.005543 -0.007715 0.006248 0.014972 -0.002074 431 C 37 YY -0.002335 -0.010708 -0.003908 -0.010633 -0.001411 432 C 37 ZZ -0.003208 0.018423 -0.002339 -0.004339 0.003485 433 C 37 XY -0.002551 -0.006070 -0.007267 -0.013279 -0.012254 434 C 37 XZ -0.003686 -0.002458 0.001160 0.035205 -0.013479 435 C 37 YZ -0.003219 -0.002475 0.003188 0.019562 0.027504 436 S 38 S -0.000505 0.004406 -0.000094 0.000016 0.003405 437 S 38 S -0.002905 0.031039 0.000069 -0.000242 0.024487 438 S 38 S -0.001082 0.035991 0.002871 -0.001541 0.030303 439 S 38 S 0.035025 -0.314476 -0.064497 -0.075205 -0.116754 440 S 38 X -0.002254 0.002888 -0.001580 0.002126 0.000258 441 S 38 Y -0.001529 0.005336 0.001706 0.005211 0.001665 442 S 38 Z -0.000613 0.000149 0.000509 0.003704 -0.005971 443 S 38 X -0.008198 0.010745 -0.005947 0.005508 -0.001108 444 S 38 Y -0.005664 0.016143 0.003389 0.015863 0.005147 445 S 38 Z -0.003039 0.000740 0.001486 0.012017 -0.016509 446 S 38 X 0.034300 -0.073119 -0.007845 -0.047363 -0.036404 447 S 38 Y 0.001566 0.097467 0.019555 -0.009705 0.009376 448 S 38 Z 0.016995 -0.005329 0.006060 -0.043942 0.151755 449 S 38 XX 0.000778 -0.003803 -0.000151 0.024643 -0.031826 450 S 38 YY 0.002649 0.002424 0.002327 0.004464 0.006311 451 S 38 ZZ -0.003427 0.001379 -0.002177 -0.029107 0.025515 452 S 38 XY 0.003491 -0.000642 0.004261 0.020569 -0.050946 453 S 38 XZ 0.000611 0.000166 -0.000111 -0.451369 0.124321 454 S 38 YZ 0.000225 0.000385 0.000161 -0.153846 -0.409710 455 S 38 XX 0.006221 -0.016352 0.009421 -0.046871 0.067234 456 S 38 YY -0.004320 0.008808 0.001230 -0.017739 -0.014970 457 S 38 ZZ -0.001900 0.007544 -0.010651 0.064610 -0.052264 458 S 38 XY 0.001494 -0.008294 0.010063 -0.044542 0.105061 459 S 38 XZ 0.000779 -0.004028 0.002064 0.978192 -0.261849 460 S 38 YZ -0.004244 0.002279 -0.004591 0.322722 0.837117 461 H 39 S -0.003531 -0.005724 -0.009637 -0.006387 -0.000326 462 H 39 S 0.013829 -0.063004 0.012818 0.052798 0.016718 463 H 39 X 0.004788 -0.010191 0.007281 0.010291 -0.000950 464 H 39 Y 0.003850 -0.006262 0.000888 -0.008768 -0.003984 465 H 39 Z 0.000420 -0.001801 0.001980 0.005484 0.005036 431 432 433 434 435 4.9789 5.0384 5.0644 5.0799 5.1081 A A A A A 1 C 1 S -0.001476 0.010512 -0.004650 0.025020 0.058872 2 C 1 S -0.003784 0.013027 -0.006911 0.028097 0.086077 3 C 1 S 0.134620 -0.131115 0.100859 0.008664 -0.970139 4 C 1 X 0.003062 -0.004916 0.002442 -0.006954 -0.032808 5 C 1 Y 0.000916 -0.009882 -0.001900 -0.047161 -0.022898 6 C 1 Z 0.006785 -0.009052 -0.000092 0.000506 0.000727 7 C 1 X -0.155536 -0.024062 -0.156296 -1.057471 0.243867 8 C 1 Y -0.025895 -0.167813 0.077508 -0.154610 -0.783962 9 C 1 Z -0.151376 -0.028035 0.014901 0.066795 -0.049005 10 C 1 XX -0.011915 0.010297 -0.002674 -0.051598 0.054546 11 C 1 YY 0.005549 -0.024503 0.009022 -0.008341 -0.135412 12 C 1 ZZ 0.006366 0.014206 -0.006348 0.059939 0.080866 13 C 1 XY -0.010139 -0.004172 -0.010402 -0.110404 0.003011 14 C 1 XZ -0.063163 0.009038 0.003482 0.013769 0.000337 15 C 1 YZ -0.088129 -0.034447 0.003687 0.008011 -0.010059 16 C 2 S 0.009028 -0.009223 0.009439 0.060542 -0.044158 17 C 2 S 0.015730 -0.016887 0.015001 0.106732 -0.069127 18 C 2 S -0.196094 -0.469744 -0.224229 -1.065359 1.210480 19 C 2 X -0.000715 -0.004527 0.002155 0.024118 -0.014831 20 C 2 Y 0.004733 -0.016924 -0.002698 -0.005673 0.001797 21 C 2 Z -0.010309 -0.001938 0.002357 0.002453 -0.003201 22 C 2 X -0.213837 0.020901 -0.058811 -0.531751 0.278989 23 C 2 Y 0.000818 -0.109403 -0.018960 0.134031 0.496019 24 C 2 Z 0.078204 -0.044767 0.010499 0.055733 0.019695 25 C 2 XX -0.000268 0.008188 -0.008005 -0.033232 0.026344 26 C 2 YY -0.007038 0.007836 -0.002317 -0.006016 0.021293 27 C 2 ZZ 0.007306 -0.016023 0.010322 0.039249 -0.047637 28 C 2 XY -0.021728 0.004041 -0.004937 -0.059196 0.065687 29 C 2 XZ 0.005952 0.031207 0.002033 0.002949 -0.001190 30 C 2 YZ 0.026632 -0.002812 0.001052 0.002706 0.004651 31 C 3 S -0.001190 0.059349 0.001649 0.026052 -0.010033 32 C 3 S -0.002026 0.094511 0.002896 0.044127 -0.010560 33 C 3 S -0.266003 -2.001407 0.330737 -0.199035 0.513418 34 C 3 X -0.004932 0.002107 -0.009001 -0.013715 0.001009 35 C 3 Y -0.003939 0.004207 0.003691 -0.003350 0.009268 36 C 3 Z 0.004607 0.001900 0.001599 -0.003659 -0.005257 37 C 3 X 0.740446 0.894176 -0.259803 0.055829 -0.109047 38 C 3 Y 0.042509 -1.344210 0.005705 -0.135255 0.892507 39 C 3 Z 0.020496 0.239344 -0.042798 -0.087436 -0.010174 40 C 3 XX 0.008863 -0.073505 -0.006022 -0.012612 0.065322 41 C 3 YY -0.009882 0.013506 0.003713 -0.003974 -0.041023 42 C 3 ZZ 0.001019 0.059999 0.002309 0.016586 -0.024300 43 C 3 XY 0.017202 0.017437 -0.018232 -0.046328 0.001566 44 C 3 XZ 0.017083 0.038893 0.003169 -0.012926 -0.005353 45 C 3 YZ 0.020937 0.002324 0.000283 0.000718 -0.009421 46 C 4 S 0.010844 -0.033235 0.003055 0.065233 0.093678 47 C 4 S 0.017911 -0.057494 0.006037 0.109548 0.151357 48 C 4 S -0.210536 0.794287 0.038332 -0.658871 -1.298427 49 C 4 X -0.002197 -0.004104 0.008585 0.018213 -0.022549 50 C 4 Y -0.000498 -0.017104 0.003844 0.012284 -0.006379 51 C 4 Z -0.005361 0.070082 -0.000459 -0.013706 -0.001695 52 C 4 X 0.273047 -0.635942 -0.105282 -0.680292 0.106983 53 C 4 Y 0.361907 0.680041 -0.076493 0.042951 0.270442 54 C 4 Z 0.062187 -1.117531 -0.027302 0.330871 0.580498 55 C 4 XX 0.003031 -0.018979 -0.006942 -0.047656 0.013432 56 C 4 YY -0.025666 0.015783 0.013286 0.024740 -0.074789 57 C 4 ZZ 0.022636 0.003196 -0.006344 0.022916 0.061357 58 C 4 XY -0.016442 0.072473 0.016254 0.082817 0.049170 59 C 4 XZ 0.007564 -0.038478 0.000975 0.055936 0.018522 60 C 4 YZ 0.006124 -0.010261 0.004954 0.007097 -0.027489 61 S 5 S -0.002526 -0.006969 -0.000028 -0.047988 -0.045143 62 S 5 S -0.018009 -0.048664 0.000124 -0.338073 -0.319218 63 S 5 S -0.021658 -0.054361 0.001531 -0.390007 -0.372549 64 S 5 S 0.086703 0.325671 0.014434 1.468313 1.310420 65 S 5 X -0.001568 -0.004258 0.000072 -0.007961 -0.005768 66 S 5 Y -0.000590 0.001377 0.003213 0.002064 -0.005397 67 S 5 Z -0.003657 -0.003106 0.000358 0.002932 -0.000097 68 S 5 X -0.005493 -0.016968 0.000351 -0.047898 -0.047767 69 S 5 Y -0.002644 0.003747 0.011002 0.001981 -0.021155 70 S 5 Z -0.011697 -0.002042 0.001912 0.013330 0.002062 71 S 5 X -0.021792 -0.088182 0.012362 -0.481838 -0.688227 72 S 5 Y -0.048172 -0.053382 -0.032684 -0.176679 -0.127782 73 S 5 Z 0.067852 0.269873 0.007577 0.066395 0.045552 74 S 5 XX -0.039299 -0.100069 -0.038252 -0.065361 0.461276 75 S 5 YY 0.049077 -0.021608 0.038624 0.520424 -0.068865 76 S 5 ZZ -0.009778 0.121676 -0.000371 -0.455063 -0.392412 77 S 5 XY -0.032186 0.116375 -0.019734 -0.095077 0.130109 78 S 5 XZ -0.201138 -0.464656 -0.009780 -0.076696 -0.079121 79 S 5 YZ -0.365689 0.232935 0.033273 0.107568 -0.012741 80 S 5 XX 0.087904 0.188841 0.067320 0.107650 -0.765510 81 S 5 YY -0.104526 0.043351 -0.066127 -0.875445 0.128908 82 S 5 ZZ 0.016621 -0.232192 -0.001193 0.767794 0.636602 83 S 5 XY 0.069743 -0.216766 0.032121 0.160164 -0.206963 84 S 5 XZ 0.427865 0.874844 0.016539 0.125425 0.128931 85 S 5 YZ 0.766451 -0.428226 -0.058719 -0.179146 0.021687 86 H 6 S 0.007164 0.003857 0.010691 0.065532 -0.044891 87 H 6 S -0.033278 -0.004826 0.000188 -0.034875 0.105457 88 H 6 X 0.012441 -0.004591 0.004928 0.033251 -0.030870 89 H 6 Y 0.006134 -0.002858 0.003434 0.010545 -0.038054 90 H 6 Z -0.000530 0.010803 -0.000570 -0.001898 -0.000773 91 C 7 S 0.004761 -0.035804 0.070408 0.056487 0.017176 92 C 7 S 0.005487 -0.054503 0.099032 0.098943 0.020855 93 C 7 S 0.177590 1.479728 -1.598950 -1.052296 -0.108838 94 C 7 X -0.008259 0.006311 -0.005934 -0.021678 0.028937 95 C 7 Y -0.002242 -0.012537 -0.034780 0.010040 -0.021532 96 C 7 Z -0.014991 0.000523 0.003766 0.013847 -0.010631 97 C 7 X -0.598458 -0.252693 1.053597 0.365385 -0.595966 98 C 7 Y -0.052198 -0.784755 -0.569380 0.669426 0.076012 99 C 7 Z 0.320150 0.004239 -0.284026 -0.081554 0.108104 100 C 7 XX -0.011165 0.050726 0.010812 -0.043729 0.018163 101 C 7 YY 0.003499 -0.016492 -0.117267 0.019409 -0.047565 102 C 7 ZZ 0.007666 -0.034234 0.106455 0.024321 0.029401 103 C 7 XY 0.048901 0.003199 -0.055573 0.058178 -0.082487 104 C 7 XZ 0.026025 -0.030888 0.003975 0.020746 -0.001325 105 C 7 YZ 0.049190 0.014522 -0.008204 -0.003427 0.000401 106 C 8 S -0.009527 0.000557 0.074651 -0.018284 0.018736 107 C 8 S -0.017697 0.000931 0.109882 -0.029162 0.028421 108 C 8 S 0.185403 -0.082849 -0.765038 0.376248 -0.505248 109 C 8 X 0.003144 0.000944 0.040621 -0.018194 0.019625 110 C 8 Y 0.007786 -0.001476 0.004570 0.009205 -0.016906 111 C 8 Z -0.007461 0.002903 0.004727 0.007837 -0.003590 112 C 8 X 0.001162 0.002528 0.890731 -0.023962 0.080352 113 C 8 Y -0.236148 0.080676 -0.063450 -0.224923 0.483932 114 C 8 Z 0.061085 -0.009843 -0.010735 -0.056736 0.075740 115 C 8 XX -0.004158 0.012683 -0.130070 0.017742 -0.022036 116 C 8 YY 0.009392 -0.009163 0.020422 -0.003975 0.004202 117 C 8 ZZ -0.005234 -0.003521 0.109647 -0.013767 0.017834 118 C 8 XY 0.029305 -0.020002 0.013283 0.045583 -0.093368 119 C 8 XZ -0.030003 0.001717 -0.000739 0.011069 -0.012958 120 C 8 YZ -0.013218 -0.006534 -0.002013 0.000432 -0.006473 121 C 9 S 0.005685 0.069475 0.063939 -0.034168 -0.055550 122 C 9 S 0.016711 0.114658 0.115375 -0.056853 -0.100246 123 C 9 S 0.188496 -1.443822 -1.013324 0.419914 0.719568 124 C 9 X 0.005909 -0.006740 -0.004624 -0.000622 -0.002478 125 C 9 Y -0.007183 0.018497 0.005586 -0.000489 0.005226 126 C 9 Z 0.013062 -0.017660 -0.006527 0.010257 0.012085 127 C 9 X -0.363480 0.414756 0.094812 -0.264359 -0.180499 128 C 9 Y 0.298174 0.521602 -0.375694 -0.280012 -0.357999 129 C 9 Z -0.039501 -0.395165 -0.100959 0.074960 0.056884 130 C 9 XX 0.012629 0.007561 -0.019235 0.037594 -0.030069 131 C 9 YY 0.006059 -0.032608 0.004392 -0.002358 0.015039 132 C 9 ZZ -0.018688 0.025047 0.014843 -0.035236 0.015030 133 C 9 XY -0.043005 0.071152 -0.007493 -0.066341 -0.026658 134 C 9 XZ -0.020653 0.006705 -0.006555 -0.009632 -0.007624 135 C 9 YZ 0.002209 0.008564 -0.001174 -0.003031 -0.031186 136 C 10 S -0.009956 0.046051 -0.035341 -0.020576 0.026328 137 C 10 S -0.017697 0.074060 -0.053765 -0.035401 0.053341 138 C 10 S 0.032770 -1.292561 0.938748 0.779265 0.020220 139 C 10 X 0.006808 0.007013 0.020825 -0.009051 0.028580 140 C 10 Y -0.002998 0.002728 -0.006746 -0.001011 0.012747 141 C 10 Z 0.017733 0.000811 -0.011134 0.004508 -0.006736 142 C 10 X -0.415789 -1.191860 0.536362 0.605338 0.003958 143 C 10 Y -0.655411 0.076537 1.045152 0.392749 -0.650106 144 C 10 Z -0.102316 0.153785 -0.024711 -0.101322 0.020383 145 C 10 XX -0.018537 0.003819 0.017563 -0.008722 0.032864 146 C 10 YY 0.030502 -0.046654 0.034665 0.017746 -0.033261 147 C 10 ZZ -0.011965 0.042835 -0.052227 -0.009024 0.000397 148 C 10 XY -0.009355 -0.010072 0.028113 0.005982 -0.002966 149 C 10 XZ 0.023328 0.007533 -0.014932 0.000917 -0.017319 150 C 10 YZ -0.002195 0.000414 -0.011959 0.002167 0.000227 151 C 11 S -0.001515 -0.061180 0.002271 -0.005200 0.043465 152 C 11 S -0.003988 -0.098011 0.000836 -0.009597 0.075134 153 C 11 S 0.071689 2.017005 0.248599 0.319099 -1.049750 154 C 11 X -0.005782 -0.004701 0.013211 0.004380 0.000910 155 C 11 Y -0.004386 -0.004495 -0.002413 -0.008625 0.027470 156 C 11 Z -0.005471 0.023811 -0.003023 -0.001990 -0.002822 157 C 11 X 0.516331 1.685910 -0.575028 -0.295745 -0.579602 158 C 11 Y -0.648259 0.053434 0.226782 -0.061065 -0.360688 159 C 11 Z 0.092871 -0.083884 0.013028 0.025814 -0.026172 160 C 11 XX 0.020230 0.025760 -0.005976 -0.009216 -0.015274 161 C 11 YY -0.024219 0.030027 -0.012000 0.007667 -0.009935 162 C 11 ZZ 0.003988 -0.055787 0.017976 0.001548 0.025210 163 C 11 XY 0.002678 -0.041035 -0.001770 0.002264 0.021342 164 C 11 XZ -0.000618 0.012415 0.004448 -0.010215 -0.000474 165 C 11 YZ -0.006550 -0.012552 0.004395 0.001122 0.002632 166 C 12 S -0.005107 -0.005583 0.002488 0.007173 0.000826 167 C 12 S -0.010478 -0.010355 0.003404 0.014029 -0.000416 168 C 12 S -0.102589 -0.384229 -0.067385 0.132927 0.037839 169 C 12 X -0.003401 -0.011784 -0.014583 0.010502 -0.005659 170 C 12 Y -0.002100 0.002978 -0.000536 0.000280 0.004656 171 C 12 Z -0.002714 -0.002820 -0.000656 -0.001617 0.001864 172 C 12 X 0.030082 -0.122839 -0.124758 -0.045035 0.088613 173 C 12 Y 0.033327 -0.030239 -0.077399 -0.142555 0.160429 174 C 12 Z 0.093949 0.062753 0.009913 0.040846 -0.046779 175 C 12 XX 0.011029 0.005661 -0.020914 -0.011471 0.004309 176 C 12 YY -0.003836 0.003555 0.018423 0.004421 -0.007373 177 C 12 ZZ -0.007193 -0.009216 0.002490 0.007050 0.003064 178 C 12 XY 0.008211 0.005008 -0.021053 -0.012676 0.023126 179 C 12 XZ 0.012260 -0.004773 0.004331 -0.000683 -0.003073 180 C 12 YZ 0.007226 0.001254 -0.010109 -0.000699 -0.000343 181 C 13 S 0.012319 -0.000749 -0.006117 0.004867 -0.004708 182 C 13 S 0.021064 -0.000636 -0.009824 0.007283 -0.008279 183 C 13 S -0.134845 -0.047557 0.037691 -0.163767 0.158423 184 C 13 X 0.002836 -0.003039 -0.004167 -0.003673 0.004134 185 C 13 Y -0.000739 -0.000557 0.003421 0.001764 -0.003070 186 C 13 Z -0.000354 0.006234 0.002427 0.002813 -0.004459 187 C 13 X -0.050393 0.017676 0.071935 0.029867 -0.011169 188 C 13 Y 0.090823 0.036935 -0.014368 0.035361 -0.031322 189 C 13 Z 0.011610 -0.068895 -0.027151 -0.082161 0.075192 190 C 13 XX -0.002554 0.012715 0.002008 -0.000324 -0.008868 191 C 13 YY 0.001867 -0.002133 0.000097 0.002153 0.002819 192 C 13 ZZ 0.000686 -0.010582 -0.002105 -0.001829 0.006050 193 C 13 XY -0.003572 -0.006140 0.005973 0.006983 -0.002930 194 C 13 XZ -0.000465 -0.002647 -0.007082 -0.001653 0.004201 195 C 13 YZ -0.003444 -0.000501 0.002221 0.003463 -0.002259 196 C 14 S -0.005050 -0.008166 0.004970 0.013171 0.007631 197 C 14 S -0.007347 -0.011350 0.007258 0.021906 0.011759 198 C 14 S 0.211049 0.639266 -0.322157 -0.252070 -0.325314 199 C 14 X -0.001061 0.011567 -0.003104 0.004043 -0.010084 200 C 14 Y -0.001403 -0.001832 -0.002769 -0.000490 0.002368 201 C 14 Z -0.000852 0.000158 -0.002232 -0.000789 -0.000898 202 C 14 X -0.062067 0.096079 -0.102344 -0.204476 -0.000221 203 C 14 Y 0.111285 0.114029 -0.023685 0.097904 -0.093703 204 C 14 Z -0.115841 0.065658 0.026497 0.017455 0.001803 205 C 14 XX -0.017593 -0.017705 0.004571 0.001181 0.003336 206 C 14 YY 0.009152 -0.001064 0.008871 0.006253 -0.001497 207 C 14 ZZ 0.008441 0.018769 -0.013443 -0.007434 -0.001838 208 C 14 XY 0.003389 0.008802 -0.006986 -0.013212 0.003647 209 C 14 XZ -0.000863 -0.001818 0.002708 -0.005249 0.004705 210 C 14 YZ 0.011492 0.009160 0.001783 -0.012530 -0.000845 211 F 15 S 0.005455 0.006756 0.004411 0.002610 -0.005345 212 F 15 S 0.011123 0.013959 0.009348 0.004955 -0.010801 213 F 15 S -0.033843 -0.031766 -0.014586 -0.022356 0.030740 214 F 15 X -0.001271 0.002441 0.000058 -0.001557 -0.000377 215 F 15 Y 0.000206 -0.001096 -0.000236 -0.002750 0.003201 216 F 15 Z 0.000090 0.000257 -0.001540 0.001608 -0.000257 217 F 15 X -0.003510 -0.012714 0.005023 0.009153 0.000974 218 F 15 Y 0.001700 0.010078 0.001311 0.014414 -0.017583 219 F 15 Z -0.002651 -0.003108 0.004180 0.004362 -0.002672 220 F 15 XX -0.006221 -0.009404 -0.009601 0.002145 0.006675 221 F 15 YY -0.005474 0.000841 0.007253 0.002386 -0.004104 222 F 15 ZZ 0.011694 0.008564 0.002349 -0.004531 -0.002572 223 F 15 XY 0.004855 0.003625 -0.005208 -0.000511 -0.000073 224 F 15 XZ 0.003439 -0.000304 -0.000505 -0.001834 -0.000005 225 F 15 YZ 0.001120 -0.004398 -0.000958 -0.004731 0.004083 226 F 16 S -0.011721 -0.005870 -0.003522 -0.005780 0.007282 227 F 16 S -0.023480 -0.011569 -0.008815 -0.011606 0.014869 228 F 16 S 0.061301 0.044352 0.007433 0.041885 -0.050052 229 F 16 X -0.000418 -0.000272 -0.009074 0.001372 -0.000434 230 F 16 Y 0.002067 -0.002378 -0.006736 -0.000917 0.000628 231 F 16 Z 0.002939 -0.001067 -0.001708 -0.001844 0.002753 232 F 16 X 0.010102 0.000658 0.021164 0.003858 -0.003431 233 F 16 Y -0.023419 -0.003951 0.036490 0.004451 -0.005822 234 F 16 Z -0.005318 0.007628 -0.002717 0.006182 -0.008991 235 F 16 XX 0.000727 -0.006092 0.010906 0.001041 -0.002890 236 F 16 YY 0.007043 0.004712 -0.013145 -0.006615 0.007882 237 F 16 ZZ -0.007770 0.001381 0.002239 0.005574 -0.004992 238 F 16 XY -0.007609 0.004526 0.012581 -0.002554 0.002566 239 F 16 XZ 0.001905 -0.000751 0.001480 0.002897 -0.004027 240 F 16 YZ -0.000991 -0.000425 0.013230 0.006949 -0.008358 241 F 17 S 0.012628 0.002783 -0.008740 -0.015078 0.000503 242 F 17 S 0.024874 0.004865 -0.017434 -0.029461 0.001020 243 F 17 S -0.071146 -0.020035 0.053355 0.097351 -0.001994 244 F 17 X 0.000155 -0.001546 -0.001884 0.001175 0.001514 245 F 17 Y 0.002426 0.000790 0.000643 0.001942 -0.002288 246 F 17 Z -0.003528 0.000919 -0.001051 -0.001249 0.000493 247 F 17 X -0.005109 0.006871 0.010707 0.010879 -0.011917 248 F 17 Y -0.034991 -0.017931 0.010117 0.014853 0.011807 249 F 17 Z -0.001079 -0.018468 0.010794 0.026644 -0.000421 250 F 17 XX 0.001471 0.010983 -0.002205 -0.011263 -0.003136 251 F 17 YY -0.009803 -0.009029 0.003353 0.004326 0.004393 252 F 17 ZZ 0.008332 -0.001954 -0.001148 0.006937 -0.001257 253 F 17 XY -0.005374 0.003467 0.000381 0.002115 -0.004032 254 F 17 XZ -0.001793 0.001801 0.001020 0.002393 -0.001534 255 F 17 YZ -0.012204 -0.013002 0.000282 0.004496 0.002891 256 F 18 S -0.007590 0.009454 -0.001050 -0.005636 -0.000211 257 F 18 S -0.015512 0.018436 -0.001496 -0.011335 -0.000097 258 F 18 S 0.041761 -0.066435 0.013661 0.030108 0.009687 259 F 18 X -0.000104 -0.001594 0.001202 -0.001819 0.000611 260 F 18 Y 0.001339 -0.001805 0.001916 0.004818 -0.001518 261 F 18 Z -0.000662 0.000281 -0.000291 0.002864 -0.000779 262 F 18 X 0.005579 0.005014 0.001924 0.016217 -0.007848 263 F 18 Y -0.003719 -0.005044 -0.004815 -0.018926 0.010260 264 F 18 Z 0.000421 0.024451 -0.014308 -0.017634 -0.005773 265 F 18 XX -0.001319 0.009386 -0.006836 -0.001654 -0.006583 266 F 18 YY 0.004469 -0.000061 -0.003229 -0.001529 0.002140 267 F 18 ZZ -0.003150 -0.009325 0.010065 0.003183 0.004443 268 F 18 XY 0.000064 0.004997 -0.004543 -0.005661 0.000885 269 F 18 XZ -0.000089 0.002413 -0.005378 -0.008379 0.003883 270 F 18 YZ 0.004627 0.008335 -0.002295 0.004766 -0.004738 271 C 19 S -0.004163 0.000519 -0.003015 -0.011038 0.019956 272 C 19 S -0.008090 0.001445 -0.002707 -0.022374 0.040191 273 C 19 S 0.088974 -0.022323 -0.073619 0.085992 -0.220749 274 C 19 X 0.003753 -0.004164 0.008525 0.008820 -0.016216 275 C 19 Y 0.001030 -0.002105 -0.027502 0.010230 -0.013508 276 C 19 Z -0.000502 0.000482 -0.002165 0.001364 -0.002317 277 C 19 X -0.018657 0.003452 -0.107711 -0.016167 0.080606 278 C 19 Y -0.017388 -0.001530 0.046343 -0.029273 0.057397 279 C 19 Z -0.059406 -0.006947 0.025348 0.015882 0.007792 280 C 19 XX 0.015789 -0.006936 0.063529 0.026301 -0.051978 281 C 19 YY -0.006976 0.006154 -0.014399 -0.020579 0.042907 282 C 19 ZZ -0.008813 0.000782 -0.049130 -0.005722 0.009071 283 C 19 XY -0.000471 0.004461 0.019174 -0.000154 -0.003511 284 C 19 XZ 0.003089 -0.002164 0.008549 -0.001221 -0.002968 285 C 19 YZ -0.016868 -0.001096 0.011245 -0.001200 0.004778 286 H 20 S -0.014623 0.005644 -0.034598 -0.020562 0.035872 287 H 20 S 0.001949 0.003359 0.017798 0.007294 -0.030581 288 H 20 X 0.006352 -0.004486 0.033604 0.007297 -0.014120 289 H 20 Y -0.003781 -0.000145 0.009446 -0.008964 0.012753 290 H 20 Z 0.006501 0.001374 -0.000569 -0.002786 0.001124 291 H 21 S -0.013778 -0.004877 0.030033 0.009972 -0.005574 292 H 21 S -0.015828 -0.002314 0.024954 0.005389 0.000238 293 H 21 X -0.007416 -0.000465 -0.000336 0.000491 -0.000862 294 H 21 Y -0.002090 0.004196 -0.034615 -0.001488 0.005704 295 H 21 Z -0.002953 0.000570 0.010640 0.004925 -0.007508 296 C 22 S -0.001638 0.004575 -0.003721 -0.021584 0.022415 297 C 22 S -0.003395 0.009241 -0.007036 -0.039059 0.046105 298 C 22 S 0.000336 -0.067928 0.078276 0.287952 -0.349925 299 C 22 X -0.002217 -0.003038 -0.001146 -0.023973 -0.014484 300 C 22 Y -0.003115 0.003839 -0.002210 -0.008219 0.027466 301 C 22 Z 0.004880 0.003385 -0.000211 0.000244 0.002351 302 C 22 X 0.015996 0.032069 0.003393 0.075493 0.057219 303 C 22 Y 0.008324 -0.012958 0.029450 0.183628 -0.083484 304 C 22 Z 0.093678 0.020728 -0.001275 -0.000818 -0.011018 305 C 22 XX 0.001858 0.002389 -0.003456 -0.020262 0.017207 306 C 22 YY 0.008752 0.003112 0.006179 0.071843 -0.003485 307 C 22 ZZ -0.010610 -0.005501 -0.002722 -0.051581 -0.013723 308 C 22 XY 0.005644 -0.006633 0.009465 0.064953 -0.043403 309 C 22 XZ 0.032670 0.012868 0.000005 0.003277 -0.004625 310 C 22 YZ 0.000951 -0.014266 -0.000643 0.002244 0.004764 311 H 23 S -0.007052 0.005318 -0.008366 -0.064362 0.027788 312 H 23 S 0.008316 0.000094 0.001679 0.028761 -0.000823 313 H 23 X -0.002736 0.004624 -0.003643 -0.023567 0.017691 314 H 23 Y -0.004212 -0.004497 -0.004012 -0.040115 -0.002845 315 H 23 Z -0.005393 -0.003325 -0.000157 -0.001525 0.000312 316 H 24 S -0.023496 -0.009470 0.001062 0.020710 0.009082 317 H 24 S -0.030318 -0.023563 -0.001022 0.006461 0.007374 318 H 24 X 0.002335 0.002098 -0.002484 -0.029232 -0.005705 319 H 24 Y 0.007621 -0.001056 0.002577 0.022377 0.002225 320 H 24 Z 0.009474 0.008407 -0.000311 -0.009959 0.001884 321 H 25 S 0.034605 0.012584 -0.000158 0.021707 0.006123 322 H 25 S 0.032150 0.016916 -0.002694 0.002265 0.004747 323 H 25 X -0.009543 -0.008129 -0.002355 -0.029925 -0.004426 324 H 25 Y -0.005212 0.001503 0.002663 0.022271 0.003468 325 H 25 Z 0.013084 0.005311 0.000486 0.014897 -0.001719 326 C 26 S -0.020003 0.040024 0.016081 -0.007334 -0.013637 327 C 26 S -0.034331 0.071220 0.031405 -0.012227 -0.027734 328 C 26 S 0.117203 -0.195737 -0.022075 -0.018218 -0.064979 329 C 26 X 0.005218 0.002103 -0.002870 -0.001050 0.004669 330 C 26 Y 0.001579 -0.009622 0.000753 0.000232 -0.000805 331 C 26 Z -0.002415 0.019937 0.013924 -0.002002 -0.020800 332 C 26 X 0.002135 -0.078332 0.025500 -0.003415 -0.034789 333 C 26 Y 0.005527 -0.041310 0.031647 0.027115 0.049407 334 C 26 Z 0.031169 -0.023790 -0.031169 0.001416 -0.014805 335 C 26 XX -0.011289 0.019836 0.001818 -0.008343 -0.007217 336 C 26 YY 0.003335 -0.032502 0.006235 0.003471 0.010331 337 C 26 ZZ 0.007954 0.012665 -0.008053 0.004872 -0.003114 338 C 26 XY -0.009691 0.005176 -0.000592 0.004681 -0.017417 339 C 26 XZ 0.005458 -0.019462 0.001140 0.015672 -0.005162 340 C 26 YZ -0.019434 0.020809 0.014343 0.003592 -0.007372 341 H 27 S -0.009412 0.022785 -0.001946 -0.009093 0.004409 342 H 27 S -0.007565 -0.024907 0.014811 0.000571 -0.005299 343 H 27 X 0.003159 0.003156 -0.003590 -0.004633 0.010927 344 H 27 Y 0.001438 -0.005995 -0.005005 -0.005051 0.001229 345 H 27 Z -0.007133 0.018525 -0.001226 -0.006642 -0.015213 346 H 28 S -0.032828 0.045237 0.004964 -0.006105 -0.003695 347 H 28 S -0.013618 -0.000111 -0.024523 -0.000387 -0.016700 348 H 28 X -0.007706 0.009455 0.002343 0.005346 0.000710 349 H 28 Y 0.013516 -0.018828 -0.009120 -0.000212 0.007480 350 H 28 Z -0.008456 0.004603 0.000400 -0.001827 0.004423 351 H 29 S 0.010014 -0.003824 -0.006684 0.017117 0.002284 352 H 29 S -0.003201 0.088481 -0.020860 0.005571 0.036388 353 H 29 X 0.004568 0.000662 0.001296 -0.007937 -0.002790 354 H 29 Y -0.003949 -0.002909 -0.004909 0.008613 0.012500 355 H 29 Z 0.014030 0.007038 -0.004050 -0.000407 -0.007095 356 C 30 S 0.008725 -0.018487 -0.006053 -0.005152 0.016686 357 C 30 S 0.014058 -0.023333 -0.010656 -0.012535 0.026111 358 C 30 S -0.102384 0.625360 0.048967 -0.066449 -0.253092 359 C 30 X 0.003418 -0.002191 0.000183 -0.001878 0.004472 360 C 30 Y 0.003021 0.000081 -0.000258 0.003913 -0.005885 361 C 30 Z 0.009120 -0.036764 -0.001107 0.007428 0.010019 362 C 30 X -0.012822 -0.014911 -0.005104 0.114126 -0.025952 363 C 30 Y -0.037084 -0.113375 -0.000225 0.002739 -0.010376 364 C 30 Z 0.049192 -0.165960 -0.029661 -0.015733 0.085654 365 C 30 XX 0.006138 0.016498 0.000243 0.012731 -0.015837 366 C 30 YY 0.008234 -0.008056 -0.002166 -0.015843 0.014264 367 C 30 ZZ -0.014372 -0.008442 0.001923 0.003112 0.001573 368 C 30 XY 0.014738 -0.019090 -0.003638 -0.005638 -0.000063 369 C 30 XZ 0.020741 -0.055714 -0.009378 -0.029489 0.015835 370 C 30 YZ 0.010162 0.071528 0.001150 0.011076 -0.019431 371 H 31 S 0.005757 0.031143 -0.002008 0.008445 -0.006292 372 H 31 S -0.010365 -0.050769 0.003643 -0.007132 -0.014015 373 H 31 X -0.001438 0.013829 0.001130 -0.016448 -0.005711 374 H 31 Y 0.001897 0.008222 0.001515 0.015226 -0.008488 375 H 31 Z -0.003618 -0.036418 0.001608 0.010888 0.002721 376 H 32 S 0.019725 -0.089871 -0.013742 -0.013766 0.017786 377 H 32 S -0.004360 -0.016635 0.000028 0.052897 -0.006660 378 H 32 X 0.005154 -0.038654 -0.001298 -0.004283 0.014063 379 H 32 Y -0.006303 0.022348 0.003543 0.006610 -0.000998 380 H 32 Z 0.002888 0.004527 0.003947 0.012944 0.005473 381 H 33 S -0.016279 -0.003502 0.000631 0.006286 0.016661 382 H 33 S 0.006726 0.000569 0.007498 -0.020069 0.016849 383 H 33 X 0.003277 0.010538 -0.001581 -0.007053 -0.003460 384 H 33 Y 0.013601 -0.009431 -0.006770 -0.004509 -0.006004 385 H 33 Z 0.011652 -0.013391 0.001349 -0.016117 0.005754 386 H 34 S 0.022075 0.000845 0.019013 0.001438 -0.006489 387 H 34 S 0.020761 0.004893 -0.000902 -0.006185 0.001016 388 H 34 X 0.003553 0.001491 -0.002283 -0.001252 -0.001500 389 H 34 Y -0.005355 0.000988 -0.029084 0.000505 0.005229 390 H 34 Z -0.007641 0.000275 -0.013097 -0.004542 0.008472 391 F 35 S -0.000807 -0.001703 0.000246 -0.006963 0.004859 392 F 35 S -0.001441 -0.003547 0.000590 -0.013849 0.009889 393 F 35 S 0.005675 0.016059 0.008614 0.049206 -0.034926 394 F 35 X -0.000683 0.000260 0.002160 0.001129 -0.000192 395 F 35 Y 0.001634 0.001211 0.001653 0.000650 -0.002332 396 F 35 Z 0.000322 -0.000117 0.002377 0.000344 -0.000561 397 F 35 X 0.007800 -0.002679 -0.011386 0.006394 -0.002047 398 F 35 Y -0.007864 -0.006906 -0.004536 -0.001391 0.009438 399 F 35 Z -0.003872 0.005921 -0.007286 -0.002757 -0.000303 400 F 35 XX 0.002185 -0.003938 -0.007269 -0.001060 0.004789 401 F 35 YY -0.003125 0.002633 0.000664 -0.001368 -0.001585 402 F 35 ZZ 0.000940 0.001305 0.006605 0.002428 -0.003203 403 F 35 XY -0.000003 -0.002212 -0.003442 -0.000264 0.004377 404 F 35 XZ -0.003354 0.007357 -0.000504 0.000456 -0.003683 405 F 35 YZ 0.002521 0.004867 -0.003496 -0.001670 0.000374 406 F 36 S -0.004898 0.002684 0.002376 0.000709 -0.000997 407 F 36 S -0.009838 0.005409 0.004659 0.001330 -0.002042 408 F 36 S 0.029809 -0.021779 -0.018968 -0.011515 0.010009 409 F 36 X 0.000443 -0.002767 0.001958 0.000065 0.001174 410 F 36 Y -0.000660 0.001828 -0.000108 0.000017 0.000751 411 F 36 Z -0.000539 -0.000050 -0.000950 -0.001645 0.000822 412 F 36 X 0.000904 0.005195 -0.009812 -0.002958 -0.000402 413 F 36 Y 0.000106 -0.007828 0.001536 -0.000903 -0.000807 414 F 36 Z 0.009165 0.002482 -0.001340 0.006673 -0.006621 415 F 36 XX -0.001214 -0.001855 0.001233 -0.000705 -0.000468 416 F 36 YY 0.000606 -0.004782 -0.002784 -0.003490 0.006053 417 F 36 ZZ 0.000609 0.006637 0.001551 0.004196 -0.005585 418 F 36 XY 0.004090 -0.001839 0.001267 0.001608 -0.002445 419 F 36 XZ 0.000627 -0.000587 -0.006412 -0.002650 0.003013 420 F 36 YZ 0.000693 -0.003279 0.000126 -0.000548 -0.000035 421 C 37 S 0.021179 -0.017695 0.013298 -0.002436 -0.036560 422 C 37 S 0.041471 -0.031165 0.030644 -0.004863 -0.060212 423 C 37 S -0.238171 0.090842 0.161774 -0.097025 0.667388 424 C 37 X -0.014652 0.015616 -0.005353 -0.017715 0.011519 425 C 37 Y -0.007468 0.005104 0.012834 0.014382 -0.017183 426 C 37 Z 0.001400 0.006555 -0.002460 -0.006597 -0.004740 427 C 37 X 0.123233 -0.092708 -0.382207 0.084180 -0.340092 428 C 37 Y -0.145467 0.013600 -0.315135 -0.310191 0.241043 429 C 37 Z -0.051430 0.083934 -0.049209 -0.031358 -0.010566 430 C 37 XX -0.014065 0.038316 0.003975 -0.032784 0.073145 431 C 37 YY 0.016969 -0.014133 -0.000300 0.037852 -0.037073 432 C 37 ZZ -0.002905 -0.024183 -0.003675 -0.005067 -0.036072 433 C 37 XY 0.015275 -0.018043 0.021603 0.027926 -0.026390 434 C 37 XZ 0.002080 -0.017828 0.004729 0.013591 -0.000038 435 C 37 YZ 0.002610 -0.017102 0.006313 -0.005714 0.005778 436 S 38 S -0.002255 0.000298 -0.066492 0.009496 -0.013151 437 S 38 S -0.016340 0.002221 -0.468793 0.067255 -0.092998 438 S 38 S -0.020653 0.002648 -0.543059 0.078811 -0.107840 439 S 38 S 0.050835 0.165908 2.029231 -0.379488 0.310631 440 S 38 X 0.001606 0.000609 0.004391 -0.001012 0.002184 441 S 38 Y -0.000685 -0.005236 -0.009671 0.003538 -0.000096 442 S 38 Z 0.003305 -0.001821 0.000734 -0.000367 0.000522 443 S 38 X 0.006986 0.001226 0.035209 -0.007874 0.014727 444 S 38 Y -0.001414 -0.016645 -0.057972 0.016630 -0.013180 445 S 38 Z 0.008919 -0.006596 0.004332 -0.000638 0.000543 446 S 38 X 0.049044 0.001812 0.477424 -0.095550 0.191995 447 S 38 Y 0.017050 -0.073112 -0.649712 0.178591 -0.197123 448 S 38 Z -0.106338 0.018012 0.052598 0.027438 -0.035442 449 S 38 XX 0.028014 -0.017286 0.323272 -0.025102 -0.007042 450 S 38 YY 0.001300 0.003732 0.278906 -0.053566 0.125254 451 S 38 ZZ -0.029313 0.013553 -0.602177 0.078667 -0.118212 452 S 38 XY 0.046450 -0.053355 0.150484 0.157864 -0.336520 453 S 38 XZ -0.075361 0.022113 0.062982 0.016977 -0.028850 454 S 38 YZ 0.244292 -0.019409 -0.047879 -0.022556 0.035948 455 S 38 XX -0.057988 0.027422 -0.537427 0.041737 0.007968 456 S 38 YY -0.003301 -0.003086 -0.458697 0.088451 -0.195068 457 S 38 ZZ 0.061289 -0.024336 0.996123 -0.130188 0.187100 458 S 38 XY -0.100036 0.094376 -0.230085 -0.263803 0.538121 459 S 38 XZ 0.156415 -0.041684 -0.108091 -0.029228 0.047840 460 S 38 YZ -0.491575 0.037109 0.083502 0.037972 -0.058456 461 H 39 S 0.007517 -0.029681 0.029343 0.001112 -0.039141 462 H 39 S -0.037994 0.028952 0.062206 -0.020504 0.142822 463 H 39 X -0.009989 0.022561 0.016033 -0.019770 0.026120 464 H 39 Y 0.000497 0.004870 0.009278 0.012395 -0.021724 465 H 39 Z -0.000750 -0.001887 0.003614 -0.000702 0.001938 436 437 438 5.1184 5.2037 5.2257 A A A 1 C 1 S 0.019026 -0.001282 -0.055867 2 C 1 S 0.030476 -0.000042 -0.066922 3 C 1 S -0.481414 -0.010050 0.660332 4 C 1 X -0.020639 0.003666 0.051340 5 C 1 Y 0.000850 0.002170 0.059864 6 C 1 Z -0.002723 -0.001088 -0.006503 7 C 1 X 0.388619 -0.018929 0.069155 8 C 1 Y -0.339589 0.062475 0.960272 9 C 1 Z -0.032487 0.006221 0.034348 10 C 1 XX 0.074433 -0.001507 -0.006132 11 C 1 YY -0.092880 0.006642 0.097837 12 C 1 ZZ 0.018447 -0.005135 -0.091705 13 C 1 XY 0.053477 0.009539 0.184022 14 C 1 XZ -0.002796 -0.000449 -0.001651 15 C 1 YZ -0.008758 -0.000007 -0.006476 16 C 2 S -0.047452 0.003873 0.037678 17 C 2 S -0.079547 0.007656 0.061492 18 C 2 S 0.831090 -0.134313 -0.884767 19 C 2 X -0.021603 -0.001085 0.023358 20 C 2 Y -0.001363 0.002136 -0.005685 21 C 2 Z -0.001961 -0.000450 -0.001357 22 C 2 X 0.283054 0.021796 -0.223425 23 C 2 Y 0.199693 -0.055278 -0.703960 24 C 2 Z 0.001129 -0.000870 -0.005436 25 C 2 XX 0.021109 -0.002153 0.020011 26 C 2 YY 0.019679 0.002692 -0.056371 27 C 2 ZZ -0.040789 -0.000539 0.036360 28 C 2 XY 0.081816 0.001229 0.011850 29 C 2 XZ 0.006806 0.000386 0.007843 30 C 2 YZ 0.004131 0.000749 0.003776 31 C 3 S -0.024158 0.014120 -0.039663 32 C 3 S -0.038232 0.024748 -0.067272 33 C 3 S 0.688817 -0.160674 1.056083 34 C 3 X 0.003380 -0.005650 -0.016145 35 C 3 Y 0.005508 -0.000270 -0.022859 36 C 3 Z -0.002224 -0.002748 -0.010863 37 C 3 X -0.182057 0.047110 0.526715 38 C 3 Y 0.410521 -0.232984 -0.351829 39 C 3 Z -0.001075 -0.012134 -0.028104 40 C 3 XX 0.048071 0.012968 -0.004995 41 C 3 YY -0.021343 -0.014359 0.039068 42 C 3 ZZ -0.026728 0.001391 -0.034073 43 C 3 XY 0.012914 -0.002172 -0.021401 44 C 3 XZ -0.000153 -0.004040 -0.010205 45 C 3 YZ -0.011095 -0.001717 0.003049 46 C 4 S 0.016920 -0.012513 0.107287 47 C 4 S 0.023653 -0.022301 0.166887 48 C 4 S -0.251397 0.222830 -1.053323 49 C 4 X -0.019137 -0.001609 -0.018414 50 C 4 Y -0.005286 0.001209 0.003390 51 C 4 Z -0.008168 -0.008526 0.008571 52 C 4 X 0.134430 -0.188635 -0.467081 53 C 4 Y 0.514542 0.246240 0.667666 54 C 4 Z 0.259666 0.133912 0.486775 55 C 4 XX -0.004044 -0.005276 -0.108715 56 C 4 YY -0.035604 0.010785 0.010711 57 C 4 ZZ 0.039648 -0.005509 0.098004 58 C 4 XY 0.043322 0.008221 0.147277 59 C 4 XZ -0.007941 0.011917 0.064452 60 C 4 YZ -0.046068 -0.006224 -0.046504 61 S 5 S -0.011589 -0.003216 -0.004699 62 S 5 S -0.081716 -0.022810 -0.034559 63 S 5 S -0.094054 -0.026795 -0.044141 64 S 5 S 0.384464 0.130689 0.052882 65 S 5 X -0.003288 -0.001421 -0.001623 66 S 5 Y 0.004177 0.002480 0.016380 67 S 5 Z -0.000273 0.000413 0.002799 68 S 5 X -0.024147 -0.006116 -0.014617 69 S 5 Y 0.015545 0.011108 0.095514 70 S 5 Z 0.001595 0.001666 0.017115 71 S 5 X -0.311169 -0.063840 -0.126141 72 S 5 Y -0.059831 0.056525 0.832279 73 S 5 Z 0.043597 0.019612 0.114672 74 S 5 XX 0.374899 0.024474 0.182660 75 S 5 YY -0.275537 -0.007045 -0.208236 76 S 5 ZZ -0.099362 -0.017429 0.025575 77 S 5 XY 0.082798 -0.058693 -0.743173 78 S 5 XZ -0.085252 -0.014714 -0.138441 79 S 5 YZ 0.002007 0.008361 0.106053 80 S 5 XX -0.608614 -0.032925 -0.237639 81 S 5 YY 0.449146 0.007452 0.264392 82 S 5 ZZ 0.159468 0.025473 -0.026753 83 S 5 XY -0.139873 0.079664 0.969523 84 S 5 XZ 0.139160 0.020187 0.184554 85 S 5 YZ -0.004364 -0.010922 -0.138984 86 H 6 S -0.060814 0.002884 -0.027304 87 H 6 S 0.064608 -0.002733 -0.170569 88 H 6 X -0.031959 -0.001274 0.017085 89 H 6 Y -0.031726 0.000316 0.016104 90 H 6 Z 0.000216 -0.000187 -0.000406 91 C 7 S -0.014881 -0.061127 0.041600 92 C 7 S -0.014909 -0.070025 0.066579 93 C 7 S -0.118798 0.958138 -0.561660 94 C 7 X -0.023092 0.002073 -0.003433 95 C 7 Y 0.013236 0.069576 -0.006107 96 C 7 Z 0.008500 0.006746 0.000346 97 C 7 X 1.552109 0.076452 -0.169853 98 C 7 Y 0.132095 0.834216 0.323133 99 C 7 Z -0.293552 0.030006 0.017931 100 C 7 XX 0.012391 -0.117451 -0.000200 101 C 7 YY 0.027156 0.222916 -0.028879 102 C 7 ZZ -0.039547 -0.105464 0.029078 103 C 7 XY 0.091724 0.010984 0.010083 104 C 7 XZ -0.018555 0.006927 0.003205 105 C 7 YZ -0.002387 0.007241 0.003804 106 C 8 S -0.010162 0.060065 0.003938 107 C 8 S -0.013997 0.075082 0.008031 108 C 8 S 0.156468 -0.654340 -0.270250 109 C 8 X -0.027255 0.065746 -0.001916 110 C 8 Y 0.033849 -0.009137 0.012671 111 C 8 Z 0.006413 0.001750 0.001002 112 C 8 X -0.080200 0.887134 -0.237496 113 C 8 Y -0.348526 0.452650 0.141845 114 C 8 Z -0.069339 0.097267 0.015362 115 C 8 XX 0.023382 -0.217272 0.022010 116 C 8 YY -0.011182 0.121436 -0.023570 117 C 8 ZZ -0.012200 0.095836 0.001560 118 C 8 XY 0.128699 0.045481 -0.013014 119 C 8 XZ 0.020428 -0.011918 0.000632 120 C 8 YZ 0.013577 0.004814 -0.007954 121 C 9 S 0.093290 0.042884 -0.048230 122 C 9 S 0.164592 0.072743 -0.086165 123 C 9 S -1.309770 -0.784523 0.580195 124 C 9 X -0.000666 -0.027818 0.004748 125 C 9 Y 0.021248 -0.001364 0.028048 126 C 9 Z 0.006965 0.002855 -0.004736 127 C 9 X 0.305872 -0.268022 -0.137145 128 C 9 Y -0.613368 -0.434982 -0.101070 129 C 9 Z -0.442846 -0.348562 0.004771 130 C 9 XX -0.018716 -0.020517 0.032252 131 C 9 YY -0.042709 -0.003106 -0.001375 132 C 9 ZZ 0.061424 0.023623 -0.030876 133 C 9 XY 0.055744 -0.047681 -0.016188 134 C 9 XZ -0.011398 -0.008909 -0.018930 135 C 9 YZ -0.004635 0.009667 0.009275 136 C 10 S -0.062435 0.027109 -0.010729 137 C 10 S -0.114991 0.045154 -0.016074 138 C 10 S 1.063398 -0.116844 0.435738 139 C 10 X -0.030760 0.004861 0.005953 140 C 10 Y -0.050704 0.021505 0.002379 141 C 10 Z 0.002301 0.000466 -0.000124 142 C 10 X 0.440829 0.103084 0.220764 143 C 10 Y 1.025038 -0.296621 -0.197755 144 C 10 Z -0.035769 -0.034956 -0.035734 145 C 10 XX -0.042130 -0.066344 0.011716 146 C 10 YY 0.062751 0.033214 -0.002303 147 C 10 ZZ -0.020621 0.033129 -0.009413 148 C 10 XY 0.005613 0.032875 -0.012372 149 C 10 XZ 0.005572 0.020999 -0.010380 150 C 10 YZ -0.006370 -0.004810 0.002523 151 C 11 S -0.011079 -0.010550 0.017508 152 C 11 S -0.025278 -0.018905 0.028032 153 C 11 S 0.075899 0.034279 -0.109847 154 C 11 X 0.008705 0.000081 0.000287 155 C 11 Y -0.001428 -0.010806 0.004508 156 C 11 Z -0.001004 -0.000595 0.000307 157 C 11 X -0.604527 0.146999 -0.144847 158 C 11 Y 0.303192 -0.001262 -0.255327 159 C 11 Z -0.025870 0.004535 -0.012127 160 C 11 XX 0.006257 0.009725 -0.015405 161 C 11 YY -0.019599 -0.003428 -0.003510 162 C 11 ZZ 0.013342 -0.006296 0.018914 163 C 11 XY 0.022071 0.029272 -0.006353 164 C 11 XZ 0.000066 -0.005381 -0.011347 165 C 11 YZ 0.004254 -0.001541 0.000842 166 C 12 S 0.013389 -0.002645 0.001431 167 C 12 S 0.023220 0.003854 0.001429 168 C 12 S -0.185218 0.201084 0.059612 169 C 12 X -0.001240 0.016438 -0.000705 170 C 12 Y -0.011451 -0.002248 0.001474 171 C 12 Z 0.000276 -0.005575 0.000959 172 C 12 X -0.123438 0.159070 0.001507 173 C 12 Y -0.092189 0.208218 -0.021748 174 C 12 Z 0.020461 0.012335 0.021114 175 C 12 XX -0.012919 0.021593 -0.006911 176 C 12 YY 0.018240 -0.012382 0.000330 177 C 12 ZZ -0.005321 -0.009211 0.006580 178 C 12 XY -0.032340 -0.039657 0.009192 179 C 12 XZ 0.002678 0.001891 -0.005029 180 C 12 YZ -0.000547 -0.017392 0.005537 181 C 13 S -0.008787 -0.005992 0.000416 182 C 13 S -0.013681 -0.007774 0.000724 183 C 13 S 0.155858 0.153063 0.006965 184 C 13 X 0.000765 0.002657 0.001535 185 C 13 Y 0.002897 0.007669 -0.004548 186 C 13 Z 0.002584 0.001659 0.000525 187 C 13 X 0.056582 0.007457 0.012304 188 C 13 Y -0.061211 0.064034 -0.012634 189 C 13 Z 0.004840 0.037900 -0.016337 190 C 13 XX -0.005542 -0.001471 -0.003227 191 C 13 YY 0.008677 -0.003441 0.003745 192 C 13 ZZ -0.003135 0.004911 -0.000518 193 C 13 XY 0.001123 0.010860 -0.004308 194 C 13 XZ -0.006461 0.003239 0.001403 195 C 13 YZ 0.002920 0.008144 -0.002471 196 C 14 S -0.003664 -0.003726 0.006986 197 C 14 S -0.009123 -0.006771 0.013533 198 C 14 S -0.292832 0.079159 -0.135076 199 C 14 X -0.018604 -0.005024 0.000495 200 C 14 Y -0.001141 -0.000869 0.001769 201 C 14 Z -0.002194 -0.001049 -0.001836 202 C 14 X 0.024820 0.004611 -0.042412 203 C 14 Y -0.141390 0.009687 -0.023014 204 C 14 Z 0.057257 0.000353 0.021880 205 C 14 XX 0.003892 -0.010890 0.000165 206 C 14 YY 0.008561 0.006809 -0.001583 207 C 14 ZZ -0.012453 0.004081 0.001418 208 C 14 XY -0.002050 -0.000622 0.008109 209 C 14 XZ 0.001156 -0.001595 -0.003982 210 C 14 YZ 0.002600 -0.000168 -0.001762 211 F 15 S 0.000634 0.010108 0.001256 212 F 15 S 0.001941 0.020574 0.002277 213 F 15 S 0.008570 -0.050165 -0.011435 214 F 15 X 0.000322 0.000625 -0.001195 215 F 15 Y -0.002153 0.008783 -0.000976 216 F 15 Z -0.001720 -0.003397 0.001063 217 F 15 X 0.005819 -0.010143 0.004412 218 F 15 Y 0.006424 -0.038548 0.004544 219 F 15 Z -0.004868 0.019185 0.003627 220 F 15 XX -0.010196 0.005207 0.003774 221 F 15 YY 0.006112 -0.001452 0.000130 222 F 15 ZZ 0.004084 -0.003755 -0.003904 223 F 15 XY -0.004480 -0.001837 0.000729 224 F 15 XZ -0.001294 0.000939 -0.000684 225 F 15 YZ 0.001022 0.013268 -0.001432 226 F 16 S -0.008875 0.017008 -0.004526 227 F 16 S -0.018695 0.032014 -0.008680 228 F 16 S 0.047434 -0.123835 0.027927 229 F 16 X -0.001741 -0.015364 0.002091 230 F 16 Y 0.003701 -0.011492 0.001629 231 F 16 Z -0.001910 0.004817 0.000795 232 F 16 X 0.007106 0.025382 0.000409 233 F 16 Y -0.004682 0.060627 -0.013737 234 F 16 Z 0.003063 -0.040224 0.000948 235 F 16 XX 0.004532 0.026500 -0.003201 236 F 16 YY -0.005487 -0.013769 0.004486 237 F 16 ZZ 0.000954 -0.012731 -0.001285 238 F 16 XY -0.000157 0.006538 -0.002239 239 F 16 XZ 0.003625 0.001138 -0.000189 240 F 16 YZ 0.012284 0.013892 -0.001979 241 F 17 S -0.002901 0.000230 -0.000517 242 F 17 S -0.006057 0.000217 -0.001022 243 F 17 S 0.012020 -0.004966 0.006902 244 F 17 X -0.003358 0.000381 -0.000677 245 F 17 Y -0.002336 -0.000930 0.002092 246 F 17 Z 0.001409 0.000257 0.000938 247 F 17 X 0.004613 -0.000950 0.001282 248 F 17 Y 0.016847 -0.000366 -0.002947 249 F 17 Z -0.008515 -0.005033 -0.001886 250 F 17 XX 0.003806 0.002419 -0.001839 251 F 17 YY 0.008143 0.000165 0.001928 252 F 17 ZZ -0.011948 -0.002584 -0.000089 253 F 17 XY -0.002708 -0.000026 -0.002573 254 F 17 XZ -0.001429 -0.000068 0.000760 255 F 17 YZ 0.002790 -0.002376 -0.002006 256 F 18 S 0.006928 0.001562 0.002292 257 F 18 S 0.014725 0.003032 0.004469 258 F 18 S -0.027757 -0.010540 -0.012583 259 F 18 X 0.002544 -0.001272 -0.000881 260 F 18 Y -0.001521 -0.000626 -0.000336 261 F 18 Z -0.001714 -0.000365 0.000033 262 F 18 X -0.012418 0.003602 0.000365 263 F 18 Y 0.010287 0.000361 0.000347 264 F 18 Z -0.001452 0.006084 0.003114 265 F 18 XX -0.004527 0.001913 -0.000093 266 F 18 YY -0.002320 0.000738 0.002733 267 F 18 ZZ 0.006847 -0.002651 -0.002640 268 F 18 XY -0.000959 0.002574 -0.000628 269 F 18 XZ 0.001127 0.000054 -0.000025 270 F 18 YZ -0.009993 0.000918 0.000388 271 C 19 S -0.028449 0.021746 0.004549 272 C 19 S -0.055946 0.037031 0.010326 273 C 19 S 0.260914 -0.452704 0.036246 274 C 19 X 0.020971 0.014259 -0.010574 275 C 19 Y 0.014794 0.016718 -0.007222 276 C 19 Z 0.002361 0.001907 -0.000763 277 C 19 X -0.057006 0.174488 0.014484 278 C 19 Y -0.077211 0.182871 -0.038663 279 C 19 Z 0.009625 0.025790 -0.007454 280 C 19 XX 0.069850 0.012312 -0.019597 281 C 19 YY -0.056761 0.008846 0.009708 282 C 19 ZZ -0.013089 -0.021157 0.009889 283 C 19 XY 0.003596 -0.036570 0.005201 284 C 19 XZ 0.005454 -0.002740 -0.001450 285 C 19 YZ -0.001135 0.001987 -0.000209 286 H 20 S -0.051237 -0.031736 0.008620 287 H 20 S -0.006128 -0.056467 0.003588 288 H 20 X 0.023983 0.022230 -0.011179 289 H 20 Y -0.018646 0.014574 -0.000979 290 H 20 Z -0.004034 0.002496 0.000183 291 H 21 S 0.011606 0.045331 -0.008171 292 H 21 S 0.013821 -0.042070 0.005159 293 H 21 X 0.000655 -0.004811 -0.001110 294 H 21 Y -0.008683 -0.009953 0.006180 295 H 21 Z 0.012889 -0.007245 -0.000326 296 C 22 S 0.022795 -0.002442 -0.023535 297 C 22 S 0.045762 -0.004171 -0.040877 298 C 22 S -0.254539 0.048121 0.436501 299 C 22 X -0.002922 -0.001433 -0.006356 300 C 22 Y 0.026157 0.001815 0.016937 301 C 22 Z 0.002350 0.000546 0.003421 302 C 22 X 0.008937 -0.003653 -0.067575 303 C 22 Y -0.089681 0.026307 0.240494 304 C 22 Z -0.013636 -0.000981 0.014989 305 C 22 XX 0.016830 -0.003204 -0.035288 306 C 22 YY -0.026219 0.002709 0.017052 307 C 22 ZZ 0.009389 0.000495 0.018236 308 C 22 XY -0.053949 -0.000120 -0.015780 309 C 22 XZ -0.004843 0.000181 0.003078 310 C 22 YZ 0.001106 0.000043 -0.000506 311 H 23 S 0.040525 0.000696 0.028105 312 H 23 S -0.006929 0.003461 0.055000 313 H 23 X 0.020368 -0.000184 -0.000975 314 H 23 Y 0.011645 0.000443 0.024184 315 H 23 Z 0.001615 0.000530 0.002866 316 H 24 S -0.001057 -0.002925 -0.041216 317 H 24 S 0.002855 0.003171 0.030648 318 H 24 X 0.005817 -0.000658 0.005291 319 H 24 Y -0.004738 -0.000400 -0.012948 320 H 24 Z 0.006386 -0.000270 -0.004431 321 H 25 S -0.007337 -0.004445 -0.044264 322 H 25 S 0.001218 0.003999 0.046843 323 H 25 X 0.007395 -0.000324 0.006263 324 H 25 Y -0.002080 0.000450 -0.008235 325 H 25 Z -0.006974 0.000932 0.007496 326 C 26 S 0.021569 0.016798 -0.021438 327 C 26 S 0.038141 0.028972 -0.037293 328 C 26 S -0.220761 -0.198664 0.042882 329 C 26 X -0.010962 0.001928 0.000028 330 C 26 Y -0.001476 0.000913 0.007516 331 C 26 Z -0.004198 -0.003015 -0.008099 332 C 26 X 0.013262 0.009821 0.004059 333 C 26 Y 0.000299 -0.032981 0.019754 334 C 26 Z -0.090378 -0.071872 -0.004071 335 C 26 XX 0.009108 0.014013 -0.016278 336 C 26 YY 0.012768 -0.007250 0.018863 337 C 26 ZZ -0.021876 -0.006763 -0.002585 338 C 26 XY 0.025330 0.003191 -0.012749 339 C 26 XZ 0.008614 -0.004912 0.005658 340 C 26 YZ 0.008262 0.009523 -0.014065 341 H 27 S -0.008407 -0.001686 -0.000403 342 H 27 S 0.004653 -0.003744 0.000744 343 H 27 X -0.013874 -0.003469 0.001248 344 H 27 Y -0.004320 0.003340 0.003438 345 H 27 Z -0.004024 -0.003792 -0.004066 346 H 28 S 0.017644 0.023911 -0.031494 347 H 28 S -0.004310 0.016173 -0.010907 348 H 28 X 0.003772 0.007933 -0.001198 349 H 28 Y -0.010063 -0.008542 0.011710 350 H 28 Z 0.000155 0.001612 -0.010372 351 H 29 S -0.002269 0.004790 0.001807 352 H 29 S -0.011681 -0.017616 -0.022938 353 H 29 X -0.010400 0.004319 -0.005690 354 H 29 Y 0.003788 0.000403 0.010555 355 H 29 Z -0.016010 0.000306 -0.009771 356 C 30 S 0.003933 0.000858 0.021791 357 C 30 S 0.004786 0.001343 0.037810 358 C 30 S -0.187892 -0.122486 -0.245957 359 C 30 X 0.001910 -0.000702 -0.006825 360 C 30 Y -0.007246 0.001022 0.007711 361 C 30 Z 0.016435 0.007867 0.007875 362 C 30 X -0.029545 0.006881 0.014157 363 C 30 Y -0.069538 -0.029762 0.001368 364 C 30 Z 0.086681 0.058914 0.142136 365 C 30 XX -0.021946 -0.004662 0.037451 366 C 30 YY 0.024893 0.007035 -0.010174 367 C 30 ZZ -0.002948 -0.002373 -0.027277 368 C 30 XY -0.004645 -0.009431 -0.043371 369 C 30 XZ 0.014173 -0.005427 -0.030053 370 C 30 YZ -0.020876 -0.000252 0.033026 371 H 31 S -0.016367 -0.001306 0.053281 372 H 31 S -0.029844 -0.017189 -0.017347 373 H 31 X -0.001307 -0.000152 -0.000901 374 H 31 Y -0.018247 -0.002421 0.012876 375 H 31 Z -0.006362 -0.000589 -0.026737 376 H 32 S 0.016225 0.002074 -0.056384 377 H 32 S -0.006005 0.001339 -0.009974 378 H 32 X 0.009384 -0.002890 -0.026028 379 H 32 Y -0.005203 0.003175 0.018468 380 H 32 Z 0.011344 0.003146 0.019276 381 H 33 S 0.019051 0.015564 0.037537 382 H 33 S 0.026168 0.003345 -0.034991 383 H 33 X -0.010733 -0.004988 -0.006646 384 H 33 Y 0.004255 -0.004219 0.003074 385 H 33 Z 0.006942 0.000824 -0.009889 386 H 34 S 0.001825 0.043756 -0.006711 387 H 34 S -0.004618 -0.032620 0.005683 388 H 34 X -0.001901 -0.005953 0.000009 389 H 34 Y -0.003704 -0.012288 0.006645 390 H 34 Z -0.011681 0.002760 0.001928 391 F 35 S 0.004966 0.005034 -0.000690 392 F 35 S 0.010187 0.010160 -0.001207 393 F 35 S -0.021786 -0.028249 0.006861 394 F 35 X 0.002101 0.000922 0.000800 395 F 35 Y 0.000898 0.000736 -0.000859 396 F 35 Z 0.001826 -0.000461 -0.000408 397 F 35 X -0.013707 -0.009306 0.001325 398 F 35 Y -0.002660 -0.002317 0.003140 399 F 35 Z -0.005866 0.003311 0.000298 400 F 35 XX -0.003671 -0.001953 0.001791 401 F 35 YY 0.000489 0.001552 -0.001137 402 F 35 ZZ 0.003182 0.000401 -0.000654 403 F 35 XY -0.004368 0.003111 0.000070 404 F 35 XZ -0.003718 0.001196 -0.000694 405 F 35 YZ -0.004628 0.001960 -0.000287 406 F 36 S 0.000411 0.003763 0.000295 407 F 36 S 0.000656 0.007447 0.000542 408 F 36 S -0.009785 -0.018587 -0.004605 409 F 36 X 0.000895 -0.000447 0.000119 410 F 36 Y -0.002242 0.002472 -0.000386 411 F 36 Z -0.000647 0.000950 -0.000403 412 F 36 X -0.003455 0.001834 0.000326 413 F 36 Y 0.008449 -0.007979 0.001812 414 F 36 Z -0.001610 -0.011943 0.000501 415 F 36 XX -0.000905 0.002980 -0.000949 416 F 36 YY 0.000330 0.001251 0.000914 417 F 36 ZZ 0.000575 -0.004230 0.000035 418 F 36 XY 0.000376 -0.000757 -0.000084 419 F 36 XZ -0.002315 0.001437 0.001129 420 F 36 YZ 0.002544 0.001120 -0.000486 421 C 37 S 0.046399 -0.055413 -0.008158 422 C 37 S 0.083061 -0.095371 -0.010493 423 C 37 S -0.145160 0.916680 0.338064 424 C 37 X -0.027174 0.018154 0.003760 425 C 37 Y -0.003797 -0.017387 -0.010512 426 C 37 Z 0.005086 -0.003121 -0.001159 427 C 37 X -0.102820 -0.714125 0.081567 428 C 37 Y -0.073492 -0.203353 0.283057 429 C 37 Z -0.015465 -0.064280 0.035487 430 C 37 XX -0.081554 0.009072 0.017520 431 C 37 YY 0.049923 0.028803 0.001643 432 C 37 ZZ 0.031630 -0.037875 -0.019163 433 C 37 XY 0.054631 0.047854 -0.033975 434 C 37 XZ 0.010565 0.017156 -0.003810 435 C 37 YZ 0.004870 0.016035 -0.004361 436 S 38 S 0.010644 0.001150 0.001595 437 S 38 S 0.075235 0.007042 0.011390 438 S 38 S 0.086819 0.005338 0.013877 439 S 38 S -0.325810 -0.100192 -0.159854 440 S 38 X -0.002524 0.014191 -0.000774 441 S 38 Y 0.005907 0.018929 0.001119 442 S 38 Z 0.000809 0.000899 -0.000533 443 S 38 X -0.018906 0.078110 -0.004576 444 S 38 Y 0.031547 0.090875 -0.000631 445 S 38 Z 0.005021 0.004575 -0.002398 446 S 38 X -0.281334 0.642573 -0.055056 447 S 38 Y 0.199743 0.552579 -0.026276 448 S 38 Z 0.052689 0.024297 -0.004143 449 S 38 XX 0.034564 0.681489 -0.068066 450 S 38 YY -0.128042 -0.692314 0.068223 451 S 38 ZZ 0.093478 0.010825 -0.000157 452 S 38 XY 0.490421 -0.157039 -0.046490 453 S 38 XZ 0.028200 0.013196 -0.006868 454 S 38 YZ -0.059923 -0.020166 0.001151 455 S 38 XX -0.045651 -0.880517 0.085128 456 S 38 YY 0.193248 0.887530 -0.085385 457 S 38 ZZ -0.147597 -0.007013 0.000257 458 S 38 XY -0.765345 0.202694 0.063067 459 S 38 XZ -0.045782 -0.016096 0.009035 460 S 38 YZ 0.093718 0.025664 -0.000735 461 H 39 S 0.085196 0.033213 -0.024886 462 H 39 S 0.062343 0.159616 -0.114798 463 H 39 X -0.041794 0.016117 0.026248 464 H 39 Y 0.010868 -0.001718 -0.008829 465 H 39 Z 0.001374 0.002055 -0.006286 AT USER REQUEST, CI VECTORS AND 1-PARTICLE DENSITY EXACTLY MATCHING CONVERGED MOS WILL BE CREATED AWAY WE GO... REGENERATING CI STATES USING THE MCSCF MOS ORBITALS -------------------------------------------- PARTIAL TWO ELECTRON INTEGRAL TRANSFORMATION -------------------------------------------- NUMBER OF CORE MOLECULAR ORBITALS = 99 NUMBER OF OCCUPIED MOLECULAR ORBITALS = 103 TOTAL NUMBER OF MOLECULAR ORBITALS = 103 TOTAL NUMBER OF ATOMIC ORBITALS = 465 THRESHOLD FOR KEEPING TRANSFORMED 2E- INTEGRALS = 1.000E-09 ------------------------------- ------------------------------ DISTRIBUTED DATA TRANSFORMATION PROGRAM WRITTEN BY G. FLETCHER ------------------------------- ------------------------------ THE DISTRIBUTED MEMORY REQUIRED FOR THIS STEP IS MEMDDI= 609 MWORDS CREATING DISTRIBUTED STORAGE FOR [OCC OCC|OCC OCC] INTEGRALS CREATING WORKSPACE OF SIZE VVOO FOR 30 PROCESSORS, THE REPLICATED MEMORY NEEDED IS 4355495 WORDS. SCHWARZ INEQUALITY OVERHEAD: 89668 INTEGRALS, T= 0.00 DIRECT 4-INDEX TRANSFORMATION SCHWARZ INEQUALITY TEST SKIPPED 258464919 INTEGRAL BLOCKS ----- FROZEN CORE ENERGY = -4902.4881192228 ... END OF INTEGRAL TRANSFORMATION ... CPU 0: STEP CPU TIME= 425.07 TOTAL CPU TIME= 490.0 ( 8.2 MIN) TOTAL WALL CLOCK TIME= 534.1 SECONDS, CPU UTILIZATION IS 91.75% ----------------------- ---------------------------- GUGA DISTINCT ROW TABLE WRITTEN BY B.R.BROOKS,P.SAXE ----------------------- ---------------------------- GROUP=C1 NPRT= 0 FORS= T INTACT= F FOCI= F MXNINT= 50000 SOCI= F MXNEME= 10000 IEXCIT= 0 -CORE- -INTERNAL- -EXTERNAL- NFZC= 0 NDOC= 2 NEXT= 0 NMCC= 99 NAOS= 0 NFZV= 0 NBOS= 0 NALP= 0 NVAL= 2 THE MAXIMUM ELECTRON EXCITATION WILL BE 4 SYMMETRIES FOR THE 99 CORE, 4 ACTIVE, 0 EXTERNAL MO-S ARE CORE= A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A ACTIVE= A A A A DOC DOC VAL VAL MOLECULAR CHARGE = 0 NUMBER OF ALPHA ELECTRONS = 101 NUMBER OF BETA ELECTRONS = 101 THE ELECTRONIC STATE IS 1-A THE DISTINCT ROW TABLE HAS 14 ROWS. THE WAVEFUNCTION CONTAINS 20 WALKS (CSF-S). TOTAL NUMBER OF INTEGRALS = 73 NUMBER OF INTEGRALS/GROUP = 73 NUMBER OF INTEGRAL GROUPS = 1 MAXIMUM RECORD SIZES ARE 500 FOR UNIT 11 22 FOR UNIT 12 30001 FOR UNIT 15 30001 FOR UNIT 16 ...... END OF -DRT- GENERATION ...... CPU 0: STEP CPU TIME= 2.15 TOTAL CPU TIME= 492.2 ( 8.2 MIN) TOTAL WALL CLOCK TIME= 536.3 SECONDS, CPU UTILIZATION IS 91.78% ------------------------ GUGA-CI INTEGRAL SORTING ------------------------ 55405 WORDS NEEDED TO SORT 73 GUGA INTEGRALS IN MEMORY 998503926 WORDS ARE AVAILABLE CHOOSING IN-MEMORY SORTING... IN CORE ALGORITHM SORTED 10 NON-ZERO 1E- INTEGRALS IN CORE ALGORITHM SORTED 55 NON-ZERO 2E- INTEGRALS ...... END OF INTEGRAL SORTING ...... CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME= 492.2 ( 8.2 MIN) TOTAL WALL CLOCK TIME= 536.3 SECONDS, CPU UTILIZATION IS 91.78% ------------------------- --------------------------------------- ENERGY MATRIX CALCULATION WRITTEN BY B.R.BROOKS,W.D.LAIDIG,P.SAXE ------------------------- --------------------------------------- COMPUTING THE HAMILTONIAN FOR THE 20 CSF-S... 318 IS THE TOTAL NUMBER OF GENERATED LOOPS 318 WERE CREATED BY THE LOOP-DRIVEN ALGORITHM 0 WERE CREATED IMPLICITLY 318 IS THE TOTAL NUMBER OF PROCESSED LOOPS 64 DIAGONAL LOOPS ARE STORED ON WORK15 IN 1 BUFFERS OF 10000 ELEMENTS. 254 OFF DIAGONAL LOOPS ARE STORED ON WORK16 IN 1 BUFFERS OF 10000 ELEMENTS. ...... END OF ENERGY MATRIX CALCULATION ...... CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME= 492.2 ( 8.2 MIN) TOTAL WALL CLOCK TIME= 536.3 SECONDS, CPU UTILIZATION IS 91.78% ----------------------------------------- DAVIDSON METHOD CI-MATRIX DIAGONALIZATION WRITTEN BY STEVE ELBERT ----------------------------------------- NUMBER OF STATES REQUESTED = 3 MAX. NUMB. OF EXPAN. VEC = 30 MAX. NUMB. IMPROVED STATES = 3 MAX. NUMB. OF ITERATIONS = 120 CONVERGENCE CRITERION = 1.0E-06 CHOOSING TO SOLVE SECULAR EQUATION IN MEMORY NUMBER OF WORDS AVAILABLE = 998503926 NUMBER OF WORDS USED = 31480 ENERGY MATRIX BUFFER SIZE = 10000 SOLUTION FOUND WITH DIRECT METHOD STATE # 1 ENERGY = -2043.651377607 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 0.956413 2200 4 -0.052487 2002 5 -0.074224 1102 6 -0.100653 0202 7 0.074028 2110 8 0.081495 1210 9 -0.059071 1111 11 -0.133640 1111 12 -0.050228 0211 15 -0.160947 2020 17 -0.051416 0220 STATE # 2 ENERGY = -2043.481806045 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 -0.096382 2200 2 0.094163 2101 7 0.876272 2110 8 -0.257344 1210 9 -0.116841 1111 10 -0.188906 2011 11 -0.058052 1111 12 0.073110 0211 13 0.075461 1012 14 0.096533 0112 15 -0.247524 2020 17 0.094869 0220 STATE # 3 ENERGY = -2043.462406969 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 2 -0.457164 2101 3 0.076378 1201 4 -0.157238 2002 5 -0.130190 1102 6 0.061091 0202 7 0.381182 2110 8 0.346503 1210 9 0.164870 1111 10 0.120028 2011 12 -0.116195 0211 15 0.563460 2020 16 0.258229 1120 17 -0.150511 0220 19 0.087011 0121 ...... END OF CI-MATRIX DIAGONALIZATION ...... CPU 0: STEP CPU TIME= 0.01 TOTAL CPU TIME= 492.2 ( 8.2 MIN) TOTAL WALL CLOCK TIME= 536.3 SECONDS, CPU UTILIZATION IS 91.78% -------------------------------------- CI DENSITY MATRIX AND NATURAL ORBITALS -------------------------------------- PROPERTIES WILL BE COMPUTED FOR STATE -IROOT- 1 WITH E= -2043.6513776068 NFLGDM= 1 0 0 NWORD= 0 IBLOCK= 0 NUMBER OF STATES = 3 NUMBER OF CONFIGURATIONS = 20 CI EIGENSTATE 1 TOTAL ENERGY = -2043.6513776068 DENSITY MATRIX OF STATE 1 SAVED FOR PROPERTY ANALYSIS NATURAL ORBITALS IN ATOMIC ORBITAL BASIS ---------------------------------------- 1 2 3 4 5 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S -0.000002 -0.000019 0.000003 0.000022 -0.000016 2 C 1 S -0.000004 -0.000039 0.000004 0.000036 -0.000025 3 C 1 S 0.000005 0.000212 -0.000571 -0.000070 0.000019 4 C 1 X -0.000001 -0.000011 0.000023 0.000001 -0.000004 5 C 1 Y -0.000002 -0.000016 -0.000017 0.000014 -0.000012 6 C 1 Z -0.000001 0.000002 -0.000002 -0.000000 0.000000 7 C 1 X 0.000003 0.000149 0.000220 0.000179 -0.000038 8 C 1 Y 0.000036 0.000393 0.000234 -0.000306 0.000313 9 C 1 Z 0.000003 0.000002 -0.000013 -0.000015 0.000010 10 C 1 XX 0.000000 -0.000004 -0.000016 -0.000018 0.000012 11 C 1 YY 0.000001 -0.000003 0.000014 -0.000001 0.000004 12 C 1 ZZ -0.000002 0.000008 0.000002 0.000019 -0.000016 13 C 1 XY 0.000000 -0.000033 -0.000002 0.000009 -0.000011 14 C 1 XZ -0.000000 0.000000 0.000003 0.000001 -0.000001 15 C 1 YZ 0.000000 0.000003 0.000002 -0.000003 -0.000001 16 C 2 S -0.000001 -0.000008 -0.000038 0.000001 0.000010 17 C 2 S -0.000002 -0.000015 -0.000066 0.000004 0.000014 18 C 2 S -0.000027 -0.000102 0.001114 -0.000100 -0.000039 19 C 2 X 0.000000 -0.000009 -0.000020 0.000007 -0.000000 20 C 2 Y -0.000002 -0.000002 0.000005 -0.000003 -0.000006 21 C 2 Z 0.000000 0.000003 -0.000003 0.000007 0.000005 22 C 2 X 0.000016 0.000046 0.000486 -0.000114 0.000280 23 C 2 Y -0.000021 -0.000226 0.000167 -0.000116 -0.000080 24 C 2 Z -0.000001 -0.000016 0.000006 -0.000022 -0.000023 25 C 2 XX -0.000000 -0.000003 0.000027 0.000020 -0.000014 26 C 2 YY 0.000000 0.000010 -0.000015 -0.000011 -0.000005 27 C 2 ZZ -0.000000 -0.000006 -0.000012 -0.000009 0.000018 28 C 2 XY 0.000001 -0.000019 -0.000002 -0.000016 0.000020 29 C 2 XZ 0.000000 -0.000002 -0.000003 -0.000004 0.000004 30 C 2 YZ 0.000000 0.000003 0.000003 0.000006 -0.000004 31 C 3 S -0.000003 -0.000007 -0.000071 0.000065 -0.000056 32 C 3 S -0.000005 -0.000013 -0.000114 0.000107 -0.000087 33 C 3 S 0.000139 0.000009 0.002518 -0.002131 0.002636 34 C 3 X 0.000002 -0.000004 -0.000046 0.000009 -0.000023 35 C 3 Y 0.000002 0.000003 -0.000015 -0.000005 0.000029 36 C 3 Z -0.000001 0.000004 -0.000016 0.000031 -0.000002 37 C 3 X -0.000076 -0.000005 -0.001454 0.001540 -0.001952 38 C 3 Y -0.000019 -0.000218 0.001482 -0.000853 0.000639 39 C 3 Z -0.000009 -0.000009 0.000019 -0.000034 0.000036 40 C 3 XX 0.000000 0.000002 0.000047 -0.000044 0.000043 41 C 3 YY 0.000001 0.000002 -0.000001 0.000014 -0.000006 42 C 3 ZZ -0.000001 -0.000004 -0.000046 0.000030 -0.000037 43 C 3 XY -0.000002 -0.000006 -0.000046 0.000035 -0.000052 44 C 3 XZ -0.000001 -0.000002 0.000010 -0.000026 0.000004 45 C 3 YZ -0.000001 0.000004 -0.000000 0.000010 0.000009 46 C 4 S -0.000009 -0.000011 -0.000006 0.000016 0.000032 47 C 4 S -0.000015 -0.000020 -0.000012 0.000029 0.000056 48 C 4 S 0.000072 0.000271 -0.000011 -0.000282 -0.000046 49 C 4 X 0.000000 -0.000003 0.000023 -0.000001 -0.000023 50 C 4 Y -0.000005 -0.000004 0.000012 -0.000010 0.000026 51 C 4 Z -0.000002 -0.000002 0.000000 -0.000014 0.000024 52 C 4 X -0.000016 0.000034 0.000202 -0.000137 0.000258 53 C 4 Y 0.000034 -0.000106 -0.000021 0.000197 -0.000768 54 C 4 Z 0.000025 -0.000207 -0.000004 0.000229 -0.000332 55 C 4 XX -0.000002 -0.000001 -0.000030 0.000016 -0.000012 56 C 4 YY 0.000004 0.000003 0.000030 -0.000022 0.000001 57 C 4 ZZ -0.000003 -0.000003 0.000000 0.000006 0.000012 58 C 4 XY 0.000001 0.000004 -0.000013 0.000008 -0.000001 59 C 4 XZ -0.000002 0.000003 -0.000005 0.000003 -0.000000 60 C 4 YZ -0.000002 -0.000005 -0.000004 0.000004 0.000011 61 S 5 S -0.000000 1.000048 0.000001 -0.000001 0.000005 62 S 5 S 0.000000 0.000248 0.000004 -0.000004 0.000038 63 S 5 S 0.000000 0.000287 0.000005 -0.000002 0.000042 64 S 5 S -0.000005 -0.001172 -0.000118 0.000174 -0.000408 65 S 5 X -0.000000 -0.000060 0.000002 -0.000007 0.000011 66 S 5 Y -0.000000 -0.000007 0.000001 -0.000000 -0.000001 67 S 5 Z -0.000000 0.000010 -0.000001 0.000001 -0.000001 68 S 5 X -0.000001 -0.000016 0.000004 -0.000022 0.000035 69 S 5 Y -0.000001 0.000017 0.000003 0.000000 -0.000003 70 S 5 Z -0.000001 0.000005 -0.000002 0.000003 -0.000005 71 S 5 X 0.000003 0.000355 -0.000002 -0.000068 0.000154 72 S 5 Y 0.000020 0.000077 -0.000007 0.000027 -0.000026 73 S 5 Z -0.000001 -0.000042 -0.000011 0.000016 -0.000049 74 S 5 XX 0.000001 -0.000030 0.000022 0.000001 -0.000007 75 S 5 YY -0.000000 -0.000013 -0.000019 0.000002 -0.000001 76 S 5 ZZ -0.000001 0.000043 -0.000002 -0.000002 0.000008 77 S 5 XY -0.000003 -0.000003 0.000005 -0.000002 0.000008 78 S 5 XZ 0.000001 0.000012 0.000002 -0.000003 0.000015 79 S 5 YZ -0.000001 -0.000003 -0.000005 0.000005 -0.000004 80 S 5 XX -0.000000 0.000006 -0.000003 0.000000 0.000000 81 S 5 YY -0.000000 0.000004 0.000003 -0.000000 0.000000 82 S 5 ZZ 0.000000 -0.000010 0.000000 -0.000000 -0.000001 83 S 5 XY 0.000000 -0.000000 -0.000001 0.000000 -0.000001 84 S 5 XZ -0.000000 -0.000003 -0.000000 0.000000 -0.000002 85 S 5 YZ 0.000000 0.000001 0.000001 -0.000001 0.000000 86 H 6 S -0.000000 -0.000007 0.000022 -0.000008 0.000017 87 H 6 S 0.000001 -0.000042 0.000039 -0.000096 0.000078 88 H 6 X -0.000001 -0.000003 -0.000014 0.000000 -0.000008 89 H 6 Y 0.000000 0.000011 -0.000005 -0.000003 0.000008 90 H 6 Z 0.000000 0.000001 -0.000000 0.000002 0.000002 91 C 7 S 0.000003 -0.000017 -0.000046 -0.000000 -0.000012 92 C 7 S -0.000003 -0.000028 -0.000074 -0.000001 -0.000015 93 C 7 S -0.000225 0.000284 0.001676 -0.000119 0.000481 94 C 7 X 0.000003 0.000000 -0.000044 0.000014 -0.000014 95 C 7 Y -0.000019 0.000002 0.000010 -0.000006 0.000010 96 C 7 Z -0.000002 -0.000001 -0.000001 0.000029 0.000013 97 C 7 X 0.000135 0.000083 -0.000221 0.000333 -0.001083 98 C 7 Y 0.000594 -0.000189 -0.000969 -0.000018 0.000307 99 C 7 Z 0.000015 -0.000026 0.000098 -0.000154 -0.000163 100 C 7 XX 0.000015 0.000008 0.000018 -0.000014 0.000024 101 C 7 YY -0.000039 0.000002 0.000010 0.000008 -0.000022 102 C 7 ZZ 0.000023 -0.000010 -0.000028 0.000006 -0.000002 103 C 7 XY -0.000008 -0.000007 0.000007 -0.000002 0.000012 104 C 7 XZ 0.000002 -0.000006 -0.000020 -0.000013 -0.000012 105 C 7 YZ -0.000000 0.000001 -0.000010 -0.000011 0.000022 106 C 8 S -0.000015 -0.000000 0.000016 0.000001 -0.000006 107 C 8 S -0.000031 -0.000001 0.000029 0.000001 -0.000009 108 C 8 S 0.000232 0.000025 -0.000266 -0.000129 0.000175 109 C 8 X 0.000014 0.000002 -0.000008 0.000003 0.000005 110 C 8 Y -0.000006 -0.000002 0.000006 0.000005 0.000009 111 C 8 Z -0.000002 0.000001 0.000002 -0.000001 -0.000002 112 C 8 X -0.000337 -0.000010 0.000139 -0.000051 0.000073 113 C 8 Y -0.000001 -0.000042 0.000033 0.000039 -0.000367 114 C 8 Z -0.000003 -0.000010 0.000008 0.000015 -0.000022 115 C 8 XX -0.000026 -0.000001 -0.000008 -0.000000 -0.000009 116 C 8 YY 0.000016 0.000003 0.000001 -0.000001 0.000016 117 C 8 ZZ 0.000010 -0.000002 0.000007 0.000001 -0.000008 118 C 8 XY 0.000009 -0.000003 0.000006 -0.000000 -0.000011 119 C 8 XZ 0.000000 0.000000 -0.000001 0.000001 -0.000002 120 C 8 YZ 0.000002 0.000000 0.000000 -0.000001 0.000003 121 C 9 S -0.000021 0.000008 0.000033 0.000010 -0.000002 122 C 9 S -0.000038 0.000011 0.000054 0.000019 -0.000002 123 C 9 S 0.000248 -0.000225 -0.000623 -0.000149 0.000702 124 C 9 X 0.000001 -0.000007 0.000020 -0.000006 -0.000015 125 C 9 Y -0.000005 0.000008 -0.000009 0.000004 -0.000019 126 C 9 Z 0.000004 0.000001 0.000001 -0.000005 -0.000013 127 C 9 X -0.000088 0.000213 0.000233 0.000171 0.000014 128 C 9 Y 0.000042 0.000060 -0.000028 -0.000250 0.000317 129 C 9 Z 0.000015 -0.000002 -0.000191 -0.000039 0.000695 130 C 9 XX 0.000018 -0.000003 -0.000013 -0.000012 -0.000023 131 C 9 YY -0.000009 -0.000001 0.000001 0.000013 0.000007 132 C 9 ZZ -0.000009 0.000004 0.000012 -0.000001 0.000015 133 C 9 XY 0.000010 0.000011 0.000007 0.000005 0.000003 134 C 9 XZ -0.000006 0.000002 0.000012 0.000002 -0.000008 135 C 9 YZ -0.000001 -0.000006 -0.000000 -0.000003 -0.000007 136 C 10 S -0.000006 0.000004 -0.000079 0.000096 0.000111 137 C 10 S -0.000011 0.000006 -0.000145 0.000171 0.000165 138 C 10 S 0.000248 -0.000225 -0.000510 0.000108 -0.002597 139 C 10 X -0.000003 -0.000003 0.000047 -0.000033 0.000029 140 C 10 Y 0.000000 -0.000001 0.000046 -0.000045 0.000027 141 C 10 Z -0.000000 0.000000 0.000026 -0.000010 -0.000017 142 C 10 X 0.000462 -0.000096 -0.001434 -0.000004 0.001736 143 C 10 Y 0.000053 0.000073 -0.000681 0.000665 -0.001962 144 C 10 Z -0.000081 0.000011 0.000160 -0.000027 0.000683 145 C 10 XX 0.000029 -0.000002 0.000019 -0.000038 -0.000122 146 C 10 YY -0.000023 -0.000000 -0.000009 0.000017 -0.000000 147 C 10 ZZ -0.000006 0.000002 -0.000010 0.000020 0.000122 148 C 10 XY -0.000004 0.000001 -0.000068 -0.000004 0.000082 149 C 10 XZ -0.000010 0.000001 -0.000006 -0.000044 -0.000081 150 C 10 YZ -0.000000 0.000001 0.000023 -0.000057 0.000010 151 C 11 S -0.000002 -0.000010 -0.000024 0.000009 0.000077 152 C 11 S -0.000003 -0.000018 -0.000053 0.000026 0.000121 153 C 11 S -0.000077 0.000162 -0.001934 0.002119 -0.003747 154 C 11 X -0.000001 -0.000005 0.000051 -0.000055 0.000053 155 C 11 Y -0.000001 0.000001 -0.000037 0.000041 -0.000020 156 C 11 Z 0.000001 -0.000002 0.000012 -0.000012 0.000013 157 C 11 X -0.000130 0.000140 -0.002476 0.001962 -0.001896 158 C 11 Y 0.000084 0.000127 0.000796 -0.000691 0.000997 159 C 11 Z 0.000006 0.000015 -0.000115 0.000048 -0.000420 160 C 11 XX -0.000002 0.000002 -0.000030 0.000004 -0.000087 161 C 11 YY 0.000006 0.000002 0.000018 0.000012 0.000035 162 C 11 ZZ -0.000004 -0.000004 0.000012 -0.000015 0.000052 163 C 11 XY -0.000010 0.000000 0.000093 -0.000046 0.000026 164 C 11 XZ -0.000002 0.000000 -0.000024 -0.000028 0.000003 165 C 11 YZ 0.000003 0.000001 -0.000017 0.000046 -0.000012 166 C 12 S -0.000011 -0.000003 0.000198 0.000014 -0.000263 167 C 12 S -0.000021 -0.000005 0.000322 -0.000005 -0.000386 168 C 12 S 0.000274 -0.000013 -0.002570 -0.001006 0.006062 169 C 12 X -0.000003 -0.000001 -0.000008 0.000089 -0.000078 170 C 12 Y 0.000000 -0.000001 0.000035 0.000118 0.000303 171 C 12 Z -0.000000 0.000001 0.000036 0.000047 -0.000120 172 C 12 X 0.000085 0.000013 0.000659 0.000015 0.000288 173 C 12 Y -0.000035 0.000008 0.001163 -0.000123 0.001855 174 C 12 Z -0.000001 -0.000007 -0.000403 0.000949 -0.002217 175 C 12 XX -0.000007 0.000002 -0.000061 0.000031 -0.000023 176 C 12 YY 0.000001 0.000000 -0.000043 0.000007 0.000084 177 C 12 ZZ 0.000006 -0.000002 0.000105 -0.000039 -0.000061 178 C 12 XY -0.000004 -0.000003 -0.000099 -0.000041 -0.000075 179 C 12 XZ -0.000001 0.000001 -0.000024 -0.000065 0.000007 180 C 12 YZ -0.000003 -0.000001 0.000028 -0.000097 -0.000119 181 C 13 S 0.000002 -0.000003 -0.000164 -0.000317 0.000165 182 C 13 S 0.000003 -0.000006 -0.000221 -0.000497 0.000264 183 C 13 S -0.000030 0.000036 0.004910 0.004580 -0.001874 184 C 13 X 0.000001 0.000000 -0.000320 -0.000154 -0.000027 185 C 13 Y -0.000001 0.000000 -0.000028 0.000019 -0.000051 186 C 13 Z -0.000000 -0.000001 0.000095 -0.000377 -0.000037 187 C 13 X -0.000016 0.000001 -0.001991 0.001026 -0.000608 188 C 13 Y 0.000002 -0.000004 -0.000427 0.000267 -0.001039 189 C 13 Z -0.000008 0.000016 0.002199 -0.002526 0.000281 190 C 13 XX 0.000004 0.000001 0.000110 -0.000060 0.000004 191 C 13 YY -0.000001 -0.000001 -0.000025 -0.000128 -0.000115 192 C 13 ZZ -0.000003 -0.000001 -0.000086 0.000189 0.000112 193 C 13 XY 0.000003 -0.000000 0.000014 -0.000006 -0.000050 194 C 13 XZ -0.000001 0.000000 -0.000068 0.000034 0.000029 195 C 13 YZ 0.000001 -0.000001 0.000003 -0.000037 0.000005 196 C 14 S -0.000004 -0.000004 0.000187 0.000011 -0.000135 197 C 14 S -0.000007 -0.000007 0.000303 -0.000010 -0.000237 198 C 14 S 0.000014 0.000087 -0.002749 -0.000414 0.000646 199 C 14 X -0.000001 -0.000000 -0.000004 0.000102 -0.000033 200 C 14 Y 0.000000 0.000000 -0.000045 -0.000099 -0.000030 201 C 14 Z -0.000000 0.000001 0.000019 0.000029 -0.000023 202 C 14 X 0.000003 0.000052 0.000938 0.000274 0.000458 203 C 14 Y 0.000002 -0.000016 -0.001022 -0.000063 0.000434 204 C 14 Z 0.000002 -0.000014 -0.000411 0.000886 0.000308 205 C 14 XX 0.000004 -0.000000 -0.000073 0.000014 0.000024 206 C 14 YY -0.000001 -0.000000 -0.000014 -0.000017 -0.000017 207 C 14 ZZ -0.000002 0.000001 0.000087 0.000003 -0.000008 208 C 14 XY -0.000001 0.000002 0.000106 0.000064 -0.000009 209 C 14 XZ -0.000000 0.000000 -0.000001 -0.000075 0.000013 210 C 14 YZ -0.000001 0.000002 -0.000058 0.000105 -0.000049 211 F 15 S 0.000002 -0.000000 -0.000234 0.000021 -0.001141 212 F 15 S 0.000004 -0.000000 -0.000062 -0.000003 0.000011 213 F 15 S -0.000019 0.000002 0.000411 -0.000099 -0.000102 214 F 15 X -0.000000 0.000001 -0.000013 0.000028 -0.000012 215 F 15 Y 0.000001 0.000000 -0.000023 0.000027 0.000049 216 F 15 Z 0.000000 -0.000000 -0.000001 0.000017 0.000000 217 F 15 X -0.000002 -0.000003 0.000059 -0.000113 0.000060 218 F 15 Y -0.000002 -0.000001 0.000041 -0.000083 -0.000398 219 F 15 Z 0.000009 -0.000001 -0.000063 -0.000080 0.000268 220 F 15 XX 0.000001 -0.000000 0.000004 -0.000005 0.000019 221 F 15 YY -0.000000 -0.000000 0.000003 -0.000001 0.000013 222 F 15 ZZ -0.000001 0.000000 -0.000007 0.000006 -0.000032 223 F 15 XY -0.000001 -0.000000 -0.000021 0.000006 -0.000011 224 F 15 XZ 0.000000 0.000000 0.000004 -0.000003 -0.000007 225 F 15 YZ -0.000000 0.000000 -0.000007 -0.000004 0.000041 226 F 16 S 0.000004 0.000001 0.000276 -0.001055 1.001179 227 F 16 S 0.000007 0.000002 0.000009 -0.000043 0.001541 228 F 16 S -0.000024 -0.000009 -0.000005 0.000286 -0.006172 229 F 16 X 0.000000 0.000000 -0.000001 -0.000025 0.000282 230 F 16 Y 0.000000 0.000000 0.000002 -0.000016 -0.000906 231 F 16 Z 0.000000 -0.000000 0.000001 -0.000005 0.000479 232 F 16 X -0.000009 -0.000004 -0.000052 0.000104 -0.000486 233 F 16 Y 0.000008 0.000002 -0.000099 0.000032 0.001504 234 F 16 Z -0.000005 -0.000000 0.000028 0.000029 -0.000745 235 F 16 XX 0.000001 0.000000 -0.000010 0.000014 0.000091 236 F 16 YY -0.000001 -0.000000 0.000004 -0.000017 -0.000127 237 F 16 ZZ 0.000000 0.000000 0.000007 0.000003 0.000036 238 F 16 XY 0.000000 0.000000 -0.000003 -0.000008 0.000081 239 F 16 XZ -0.000001 -0.000000 -0.000003 -0.000009 -0.000041 240 F 16 YZ 0.000000 0.000000 -0.000004 -0.000004 0.000128 241 F 17 S -0.000000 0.000002 0.000054 -0.000355 -0.000294 242 F 17 S -0.000000 0.000004 -0.000008 -0.000023 -0.000050 243 F 17 S -0.000000 -0.000019 0.000054 0.000201 0.000175 244 F 17 X -0.000000 -0.000000 0.000004 -0.000024 0.000004 245 F 17 Y 0.000000 0.000000 -0.000005 0.000011 0.000007 246 F 17 Z 0.000000 0.000000 0.000003 -0.000002 0.000000 247 F 17 X 0.000001 -0.000001 -0.000088 0.000091 -0.000027 248 F 17 Y -0.000000 -0.000005 0.000109 -0.000041 -0.000009 249 F 17 Z -0.000000 -0.000004 0.000035 0.000011 0.000028 250 F 17 XX 0.000000 0.000001 -0.000011 0.000013 -0.000002 251 F 17 YY 0.000000 -0.000000 0.000004 -0.000015 -0.000000 252 F 17 ZZ -0.000000 -0.000000 0.000006 0.000003 0.000003 253 F 17 XY -0.000000 0.000000 -0.000001 0.000015 -0.000000 254 F 17 XZ -0.000000 -0.000000 -0.000004 -0.000009 -0.000001 255 F 17 YZ 0.000000 -0.000000 0.000004 -0.000003 0.000004 256 F 18 S 0.000001 -0.000000 -0.000176 0.000007 0.000064 257 F 18 S 0.000002 -0.000001 -0.000047 -0.000007 0.000047 258 F 18 S -0.000007 0.000001 0.000339 -0.000085 -0.000207 259 F 18 X 0.000000 0.000000 -0.000016 0.000037 0.000001 260 F 18 Y 0.000000 -0.000000 0.000017 -0.000025 0.000000 261 F 18 Z -0.000000 -0.000000 0.000005 0.000013 0.000001 262 F 18 X -0.000002 -0.000002 0.000057 -0.000150 -0.000050 263 F 18 Y -0.000002 0.000003 -0.000013 0.000086 -0.000071 264 F 18 Z 0.000001 0.000002 -0.000060 -0.000062 0.000042 265 F 18 XX -0.000000 0.000000 -0.000001 -0.000003 -0.000005 266 F 18 YY -0.000000 -0.000000 0.000003 -0.000002 0.000002 267 F 18 ZZ 0.000000 -0.000000 -0.000001 0.000005 0.000003 268 F 18 XY -0.000000 0.000000 0.000020 -0.000006 -0.000003 269 F 18 XZ -0.000000 0.000000 0.000008 -0.000003 0.000004 270 F 18 YZ -0.000000 -0.000000 0.000011 0.000001 0.000006 271 C 19 S -0.000007 -0.000001 -0.000000 -0.000001 0.000003 272 C 19 S -0.000015 -0.000001 -0.000000 -0.000002 0.000006 273 C 19 S 0.000065 0.000022 -0.000002 0.000029 0.000139 274 C 19 X 0.000008 0.000000 -0.000002 -0.000001 -0.000007 275 C 19 Y 0.000004 -0.000001 -0.000002 -0.000002 -0.000005 276 C 19 Z 0.000001 -0.000000 -0.000000 -0.000000 -0.000001 277 C 19 X 0.000019 -0.000016 -0.000011 0.000006 -0.000019 278 C 19 Y -0.000064 -0.000002 0.000011 -0.000016 -0.000016 279 C 19 Z -0.000014 0.000002 -0.000002 -0.000006 -0.000008 280 C 19 XX -0.000011 0.000000 0.000005 -0.000002 0.000006 281 C 19 YY 0.000013 -0.000000 -0.000004 0.000002 -0.000005 282 C 19 ZZ -0.000002 0.000000 -0.000001 0.000000 -0.000001 283 C 19 XY -0.000012 0.000001 0.000003 0.000000 0.000001 284 C 19 XZ -0.000001 -0.000000 0.000001 0.000000 0.000002 285 C 19 YZ 0.000002 -0.000000 0.000000 0.000001 -0.000000 286 H 20 S -0.000000 0.000002 -0.000003 -0.000001 -0.000013 287 H 20 S -0.000006 0.000005 -0.000001 -0.000009 -0.000013 288 H 20 X -0.000004 0.000000 0.000003 -0.000000 0.000006 289 H 20 Y 0.000001 0.000001 0.000001 -0.000000 0.000001 290 H 20 Z 0.000001 -0.000000 0.000000 0.000001 0.000001 291 H 21 S -0.000006 -0.000001 0.000001 -0.000002 0.000003 292 H 21 S 0.000013 -0.000000 -0.000009 0.000001 -0.000012 293 H 21 X 0.000003 0.000001 -0.000000 -0.000001 -0.000005 294 H 21 Y 0.000003 -0.000001 -0.000001 0.000001 -0.000004 295 H 21 Z 0.000001 -0.000001 -0.000000 0.000000 -0.000002 296 C 22 S -0.000001 -0.000011 -0.000007 0.000010 -0.000003 297 C 22 S -0.000002 -0.000021 -0.000011 0.000017 -0.000004 298 C 22 S 0.000021 0.000146 0.000212 -0.000243 0.000189 299 C 22 X -0.000000 -0.000001 -0.000002 0.000002 -0.000003 300 C 22 Y 0.000000 -0.000008 0.000011 -0.000004 0.000004 301 C 22 Z 0.000000 -0.000001 0.000001 -0.000000 -0.000000 302 C 22 X -0.000004 -0.000080 -0.000101 0.000036 -0.000036 303 C 22 Y 0.000008 0.000044 0.000043 -0.000082 0.000033 304 C 22 Z -0.000001 0.000012 0.000005 -0.000006 0.000008 305 C 22 XX 0.000000 0.000016 0.000002 -0.000000 0.000002 306 C 22 YY -0.000001 -0.000015 -0.000005 0.000001 -0.000007 307 C 22 ZZ 0.000000 -0.000001 0.000004 -0.000001 0.000005 308 C 22 XY -0.000001 -0.000007 -0.000010 0.000001 -0.000001 309 C 22 XZ -0.000000 -0.000002 -0.000001 0.000001 0.000001 310 C 22 YZ -0.000000 0.000000 0.000001 -0.000001 -0.000001 311 H 23 S 0.000000 -0.000002 -0.000012 0.000006 -0.000003 312 H 23 S -0.000000 -0.000009 -0.000022 0.000004 -0.000027 313 H 23 X 0.000000 0.000003 -0.000001 0.000001 -0.000001 314 H 23 Y 0.000000 0.000003 0.000005 0.000001 -0.000001 315 H 23 Z 0.000000 -0.000001 0.000000 0.000000 -0.000001 316 H 24 S -0.000001 -0.000010 -0.000008 0.000009 -0.000009 317 H 24 S 0.000001 0.000018 0.000010 -0.000002 -0.000000 318 H 24 X -0.000000 0.000001 0.000005 0.000001 0.000001 319 H 24 Y -0.000000 -0.000004 0.000000 -0.000002 0.000003 320 H 24 Z 0.000000 -0.000001 -0.000000 -0.000002 0.000003 321 H 25 S -0.000002 -0.000009 -0.000009 0.000010 -0.000005 322 H 25 S 0.000000 0.000020 0.000004 0.000003 -0.000004 323 H 25 X 0.000000 0.000001 0.000007 -0.000000 0.000001 324 H 25 Y -0.000000 -0.000004 -0.000001 -0.000001 0.000001 325 H 25 Z -0.000000 -0.000001 -0.000001 0.000003 -0.000003 326 C 26 S -0.000003 -0.000002 0.000011 0.000003 -0.000012 327 C 26 S -0.000006 -0.000005 0.000019 0.000007 -0.000021 328 C 26 S -0.000043 0.000004 -0.000097 0.000018 0.000360 329 C 26 X 0.000001 -0.000005 0.000000 -0.000004 -0.000001 330 C 26 Y -0.000004 0.000006 0.000001 0.000003 0.000004 331 C 26 Z -0.000005 -0.000002 0.000002 0.000006 0.000012 332 C 26 X -0.000001 -0.000021 -0.000001 -0.000005 0.000009 333 C 26 Y -0.000022 -0.000063 -0.000003 -0.000015 0.000032 334 C 26 Z 0.000038 0.000058 -0.000004 -0.000060 0.000171 335 C 26 XX 0.000003 0.000003 -0.000008 0.000002 -0.000009 336 C 26 YY -0.000008 -0.000007 0.000003 0.000005 0.000001 337 C 26 ZZ 0.000005 0.000004 0.000006 -0.000007 0.000009 338 C 26 XY 0.000004 0.000005 0.000001 0.000003 -0.000002 339 C 26 XZ 0.000001 -0.000009 0.000004 -0.000004 -0.000005 340 C 26 YZ 0.000003 0.000008 -0.000003 0.000004 -0.000007 341 H 27 S 0.000001 -0.000010 0.000002 0.000005 -0.000020 342 H 27 S -0.000003 -0.000023 0.000042 -0.000072 0.000055 343 H 27 X 0.000000 -0.000005 -0.000001 -0.000007 0.000008 344 H 27 Y 0.000000 0.000006 0.000006 -0.000004 0.000007 345 H 27 Z -0.000003 -0.000005 0.000006 -0.000004 -0.000000 346 H 28 S -0.000003 0.000024 0.000005 0.000005 -0.000014 347 H 28 S 0.000067 0.000040 0.000014 -0.000016 -0.000009 348 H 28 X 0.000003 0.000002 -0.000001 -0.000001 0.000001 349 H 28 Y -0.000010 -0.000008 0.000001 0.000003 0.000005 350 H 28 Z 0.000003 0.000003 0.000003 0.000004 -0.000003 351 H 29 S 0.000006 -0.000021 0.000008 -0.000011 -0.000010 352 H 29 S 0.000010 0.000054 -0.000006 -0.000021 0.000009 353 H 29 X -0.000002 -0.000003 -0.000005 0.000004 -0.000000 354 H 29 Y 0.000002 0.000000 0.000001 -0.000001 0.000000 355 H 29 Z -0.000000 0.000001 -0.000005 -0.000002 0.000001 356 C 30 S 0.000002 -0.000028 0.000011 -0.000005 0.000008 357 C 30 S 0.000003 -0.000051 0.000019 -0.000009 0.000017 358 C 30 S -0.000048 0.000176 -0.000067 -0.000087 0.000225 359 C 30 X 0.000000 -0.000012 -0.000002 0.000003 -0.000004 360 C 30 Y -0.000000 0.000009 -0.000002 0.000004 -0.000006 361 C 30 Z 0.000002 0.000007 -0.000001 0.000010 -0.000023 362 C 30 X 0.000015 0.000083 0.000032 -0.000036 0.000026 363 C 30 Y -0.000001 -0.000073 0.000009 -0.000014 0.000045 364 C 30 Z 0.000011 -0.000118 0.000013 0.000041 -0.000129 365 C 30 XX 0.000000 -0.000002 -0.000018 0.000013 -0.000012 366 C 30 YY 0.000000 -0.000003 0.000009 -0.000005 0.000002 367 C 30 ZZ -0.000001 0.000005 0.000009 -0.000008 0.000010 368 C 30 XY 0.000001 -0.000005 -0.000006 -0.000001 0.000012 369 C 30 XZ 0.000000 0.000001 -0.000005 -0.000005 0.000022 370 C 30 YZ 0.000002 0.000003 -0.000010 0.000008 -0.000027 371 H 31 S 0.000005 -0.000029 0.000003 -0.000001 -0.000013 372 H 31 S 0.000001 0.000007 0.000015 -0.000012 0.000026 373 H 31 X -0.000001 -0.000008 -0.000005 0.000007 -0.000009 374 H 31 Y 0.000001 0.000004 -0.000009 0.000008 -0.000010 375 H 31 Z -0.000001 0.000004 -0.000006 0.000005 0.000005 376 H 32 S 0.000002 0.000009 0.000016 -0.000011 -0.000001 377 H 32 S 0.000021 0.000063 0.000029 -0.000026 0.000038 378 H 32 X 0.000003 0.000003 -0.000003 -0.000005 0.000034 379 H 32 Y -0.000002 -0.000002 -0.000008 0.000008 -0.000016 380 H 32 Z -0.000001 0.000002 -0.000007 0.000005 0.000006 381 H 33 S 0.000001 -0.000024 0.000011 0.000004 -0.000018 382 H 33 S -0.000005 -0.000003 -0.000026 0.000030 -0.000014 383 H 33 X 0.000000 -0.000010 -0.000006 0.000000 0.000002 384 H 33 Y 0.000001 0.000010 -0.000002 -0.000001 0.000001 385 H 33 Z 0.000000 0.000007 0.000002 -0.000000 -0.000001 386 H 34 S -0.000006 -0.000002 0.000000 -0.000001 0.000006 387 H 34 S 0.000023 -0.000002 0.000000 0.000003 -0.000012 388 H 34 X 0.000003 0.000000 -0.000000 -0.000000 -0.000004 389 H 34 Y 0.000003 -0.000001 -0.000002 0.000001 -0.000004 390 H 34 Z -0.000000 0.000001 -0.000001 0.000000 0.000002 391 F 35 S 0.000000 0.000001 0.998788 0.069066 -0.000201 392 F 35 S 0.000000 0.000001 0.001528 0.000081 0.000002 393 F 35 S -0.000001 -0.000007 -0.006082 -0.000353 0.000034 394 F 35 X -0.000000 -0.000000 0.001026 0.000056 0.000000 395 F 35 Y -0.000000 0.000000 0.000098 0.000011 -0.000006 396 F 35 Z -0.000000 0.000000 -0.000345 -0.000070 -0.000001 397 F 35 X -0.000000 -0.000002 -0.001621 -0.000151 0.000068 398 F 35 Y 0.000000 -0.000001 -0.000138 -0.000060 0.000099 399 F 35 Z 0.000002 0.000000 0.000437 0.000493 -0.000018 400 F 35 XX -0.000000 -0.000000 -0.000169 -0.000003 0.000004 401 F 35 YY 0.000000 0.000000 0.000102 0.000014 -0.000010 402 F 35 ZZ -0.000000 -0.000000 0.000067 -0.000011 0.000006 403 F 35 XY -0.000000 -0.000000 -0.000029 -0.000007 0.000003 404 F 35 XZ 0.000001 0.000000 0.000090 0.000052 -0.000003 405 F 35 YZ -0.000000 -0.000000 0.000009 0.000006 -0.000002 406 F 36 S -0.000000 0.000000 -0.069079 0.998776 0.001027 407 F 36 S -0.000001 0.000000 -0.000124 0.001501 -0.000039 408 F 36 S 0.000003 0.000000 0.000445 -0.006023 0.000300 409 F 36 X -0.000000 -0.000000 -0.000046 0.000031 0.000017 410 F 36 Y -0.000000 -0.000000 0.000004 -0.000092 0.000026 411 F 36 Z 0.000000 0.000000 -0.000080 0.001066 0.000003 412 F 36 X 0.000003 -0.000000 0.000412 -0.000070 -0.000035 413 F 36 Y -0.000000 0.000000 0.000036 0.000152 -0.000089 414 F 36 Z 0.000002 -0.000002 -0.000048 -0.001726 0.000032 415 F 36 XX -0.000000 0.000000 0.000000 0.000098 0.000018 416 F 36 YY -0.000000 -0.000000 0.000004 0.000110 -0.000008 417 F 36 ZZ 0.000000 -0.000000 -0.000004 -0.000208 -0.000010 418 F 36 XY 0.000000 -0.000000 -0.000005 -0.000001 -0.000017 419 F 36 XZ 0.000000 -0.000000 0.000049 -0.000012 -0.000002 420 F 36 YZ -0.000000 -0.000000 0.000005 0.000032 -0.000006 421 C 37 S -0.000005 0.000009 -0.000007 -0.000004 0.000002 422 C 37 S -0.000010 0.000016 -0.000011 -0.000007 0.000000 423 C 37 S 0.000002 -0.000152 0.000154 0.000125 -0.000624 424 C 37 X 0.000004 -0.000000 0.000002 0.000001 0.000015 425 C 37 Y -0.000004 -0.000001 -0.000005 -0.000003 0.000001 426 C 37 Z 0.000001 0.000001 0.000002 -0.000000 -0.000009 427 C 37 X 0.000167 0.000041 -0.000204 -0.000070 0.000158 428 C 37 Y 0.000079 0.000036 0.000048 0.000102 -0.000083 429 C 37 Z 0.000014 0.000015 0.000026 -0.000011 -0.000046 430 C 37 XX -0.000005 0.000004 0.000007 -0.000001 -0.000002 431 C 37 YY 0.000009 -0.000009 0.000003 0.000001 -0.000013 432 C 37 ZZ -0.000004 0.000005 -0.000010 -0.000000 0.000015 433 C 37 XY 0.000010 0.000001 0.000001 -0.000001 -0.000000 434 C 37 XZ -0.000000 -0.000000 -0.000000 0.000004 0.000007 435 C 37 YZ -0.000000 -0.000005 -0.000004 0.000001 0.000006 436 S 38 S 1.000045 0.000000 -0.000006 0.000000 0.000006 437 S 38 S 0.000225 -0.000002 -0.000041 0.000003 0.000040 438 S 38 S 0.000260 -0.000002 -0.000044 0.000004 0.000050 439 S 38 S -0.001251 0.000043 0.000437 -0.000013 -0.000198 440 S 38 X 0.000038 -0.000001 -0.000005 -0.000002 -0.000012 441 S 38 Y -0.000049 -0.000001 -0.000009 0.000000 0.000000 442 S 38 Z -0.000001 0.000000 0.000001 0.000003 0.000001 443 S 38 X 0.000002 -0.000003 -0.000018 -0.000007 -0.000038 444 S 38 Y 0.000000 -0.000002 -0.000029 0.000001 0.000002 445 S 38 Z -0.000002 0.000000 0.000002 0.000012 0.000004 446 S 38 X -0.000231 -0.000017 0.000147 -0.000021 0.000296 447 S 38 Y 0.000307 -0.000019 -0.000119 -0.000003 0.000193 448 S 38 Z 0.000000 0.000003 -0.000022 -0.000002 0.000040 449 S 38 XX -0.000024 -0.000000 0.000016 0.000003 0.000005 450 S 38 YY -0.000023 0.000000 -0.000007 -0.000003 -0.000017 451 S 38 ZZ 0.000047 -0.000000 -0.000010 -0.000000 0.000013 452 S 38 XY 0.000008 0.000007 -0.000002 0.000004 -0.000041 453 S 38 XZ -0.000002 0.000000 0.000002 0.000002 -0.000002 454 S 38 YZ -0.000002 -0.000001 0.000008 -0.000011 -0.000017 455 S 38 XX 0.000005 0.000000 -0.000002 -0.000001 0.000000 456 S 38 YY 0.000005 -0.000000 0.000001 0.000000 0.000002 457 S 38 ZZ -0.000011 0.000000 0.000001 0.000000 -0.000002 458 S 38 XY -0.000000 -0.000001 0.000001 -0.000000 0.000006 459 S 38 XZ 0.000000 -0.000000 -0.000000 -0.000000 0.000000 460 S 38 YZ 0.000000 0.000000 -0.000001 0.000002 0.000003 461 H 39 S -0.000016 0.000003 0.000017 0.000006 0.000015 462 H 39 S -0.000049 -0.000009 0.000060 0.000024 -0.000020 463 H 39 X -0.000006 0.000000 0.000006 0.000001 -0.000005 464 H 39 Y -0.000007 -0.000001 0.000000 -0.000003 0.000004 465 H 39 Z -0.000002 0.000000 -0.000002 0.000002 0.000001 6 7 8 9 10 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S 0.000030 0.000018 0.000035 -0.000013 -0.000054 2 C 1 S 0.000053 0.000030 0.000058 -0.000023 -0.000088 3 C 1 S -0.000434 -0.000042 -0.000840 0.000060 0.000402 4 C 1 X -0.000003 0.000003 0.000027 0.000003 -0.000009 5 C 1 Y -0.000004 0.000015 -0.000007 0.000002 -0.000021 6 C 1 Z 0.000001 -0.000000 -0.000008 -0.000003 -0.000002 7 C 1 X 0.000483 0.000122 0.000589 -0.000153 -0.000542 8 C 1 Y 0.000067 -0.000352 -0.000095 -0.000036 0.000507 9 C 1 Z -0.000046 -0.000013 0.000018 0.000019 0.000074 10 C 1 XX -0.000024 -0.000015 -0.000048 0.000010 0.000047 11 C 1 YY 0.000007 -0.000003 0.000015 -0.000002 -0.000005 12 C 1 ZZ 0.000018 0.000018 0.000033 -0.000009 -0.000042 13 C 1 XY 0.000008 0.000012 0.000012 -0.000003 -0.000017 14 C 1 XZ 0.000006 -0.000000 -0.000003 -0.000002 -0.000009 15 C 1 YZ 0.000000 0.000003 -0.000002 0.000001 0.000005 16 C 2 S 0.000025 0.000001 -0.000044 -0.000026 -0.000004 17 C 2 S 0.000046 0.000007 -0.000070 -0.000042 -0.000009 18 C 2 S -0.000582 0.000144 0.000881 0.000317 0.000022 19 C 2 X -0.000006 -0.000003 -0.000010 0.000002 -0.000007 20 C 2 Y -0.000014 0.000014 0.000003 0.000005 0.000006 21 C 2 Z -0.000003 -0.000006 0.000017 0.000002 0.000002 22 C 2 X 0.000582 -0.000211 0.000530 -0.000078 -0.000025 23 C 2 Y -0.000805 0.000102 -0.000117 0.000420 0.000461 24 C 2 Z 0.000011 0.000000 -0.000192 0.000017 -0.000008 25 C 2 XX 0.000025 0.000009 0.000063 -0.000012 -0.000060 26 C 2 YY -0.000040 0.000004 -0.000021 0.000029 0.000050 27 C 2 ZZ 0.000015 -0.000013 -0.000042 -0.000017 0.000010 28 C 2 XY 0.000016 -0.000023 -0.000029 -0.000000 0.000032 29 C 2 XZ -0.000006 -0.000005 -0.000008 0.000001 0.000012 30 C 2 YZ 0.000015 -0.000002 -0.000016 0.000003 -0.000013 31 C 3 S 0.000003 0.000070 0.000029 -0.000010 -0.000100 32 C 3 S 0.000010 0.000112 0.000054 -0.000025 -0.000167 33 C 3 S 0.000025 -0.002536 -0.000624 -0.001382 0.003504 34 C 3 X 0.000002 0.000012 -0.000031 0.000007 0.000007 35 C 3 Y 0.000009 -0.000023 -0.000013 -0.000028 0.000014 36 C 3 Z 0.000018 -0.000007 -0.000001 0.000009 -0.000053 37 C 3 X 0.000055 0.002033 0.000357 -0.000524 -0.002817 38 C 3 Y -0.001585 -0.000373 -0.000264 0.000033 0.001564 39 C 3 Z -0.000340 0.000055 0.000319 0.000020 0.000185 40 C 3 XX -0.000015 -0.000049 0.000008 0.000028 0.000078 41 C 3 YY 0.000010 -0.000003 -0.000012 -0.000015 -0.000052 42 C 3 ZZ 0.000004 0.000053 0.000004 -0.000012 -0.000027 43 C 3 XY 0.000025 0.000067 0.000019 -0.000039 -0.000043 44 C 3 XZ 0.000006 0.000017 -0.000002 -0.000021 0.000031 45 C 3 YZ -0.000005 -0.000010 0.000010 -0.000010 -0.000005 46 C 4 S 0.000024 0.000009 0.000010 -0.000096 -0.000037 47 C 4 S 0.000044 0.000013 0.000016 -0.000164 -0.000062 48 C 4 S 0.000388 -0.000387 -0.000144 0.001133 0.000623 49 C 4 X -0.000037 0.000017 0.000013 0.000023 0.000003 50 C 4 Y 0.000007 -0.000010 -0.000005 -0.000017 0.000019 51 C 4 Z 0.000000 -0.000012 -0.000011 -0.000009 0.000019 52 C 4 X 0.000024 -0.000133 -0.000092 -0.000489 0.000130 53 C 4 Y -0.000190 0.000572 0.000231 0.000067 -0.000312 54 C 4 Z -0.000017 0.000046 -0.000091 -0.000231 -0.000625 55 C 4 XX -0.000006 0.000009 -0.000011 0.000009 -0.000037 56 C 4 YY -0.000009 -0.000013 0.000001 0.000012 0.000048 57 C 4 ZZ 0.000015 0.000004 0.000010 -0.000020 -0.000011 58 C 4 XY 0.000003 -0.000016 -0.000014 0.000038 -0.000013 59 C 4 XZ -0.000006 0.000010 0.000013 0.000000 0.000010 60 C 4 YZ 0.000000 -0.000013 -0.000000 -0.000014 -0.000019 61 S 5 S 0.000008 -0.000001 -0.000002 -0.000007 -0.000002 62 S 5 S 0.000053 -0.000009 -0.000011 -0.000051 -0.000012 63 S 5 S 0.000062 -0.000007 -0.000011 -0.000061 -0.000019 64 S 5 S -0.000305 0.000270 0.000074 0.000208 -0.000213 65 S 5 X 0.000002 -0.000010 -0.000004 0.000003 0.000012 66 S 5 Y -0.000002 0.000001 -0.000001 -0.000003 -0.000001 67 S 5 Z -0.000001 0.000003 0.000003 0.000001 0.000000 68 S 5 X 0.000008 -0.000031 -0.000014 0.000007 0.000038 69 S 5 Y -0.000007 0.000003 -0.000005 -0.000009 -0.000003 70 S 5 Z -0.000005 0.000010 0.000011 0.000004 0.000002 71 S 5 X 0.000091 -0.000098 -0.000085 -0.000061 0.000112 72 S 5 Y 0.000086 0.000010 0.000081 0.000024 -0.000063 73 S 5 Z -0.000021 0.000041 0.000013 0.000021 -0.000023 74 S 5 XX -0.000001 -0.000001 0.000021 -0.000006 -0.000009 75 S 5 YY -0.000012 0.000000 -0.000021 0.000014 0.000006 76 S 5 ZZ 0.000013 0.000001 0.000000 -0.000008 0.000002 77 S 5 XY 0.000005 -0.000002 0.000004 -0.000003 -0.000001 78 S 5 XZ 0.000009 -0.000018 -0.000008 -0.000005 -0.000001 79 S 5 YZ -0.000009 0.000007 0.000012 0.000006 0.000000 80 S 5 XX 0.000000 0.000001 -0.000003 0.000000 0.000001 81 S 5 YY 0.000002 0.000000 0.000003 -0.000002 -0.000001 82 S 5 ZZ -0.000002 -0.000001 -0.000000 0.000001 0.000000 83 S 5 XY -0.000000 0.000000 -0.000001 0.000001 0.000000 84 S 5 XZ -0.000001 0.000003 0.000001 0.000001 0.000000 85 S 5 YZ 0.000001 -0.000001 -0.000002 -0.000001 -0.000000 86 H 6 S 0.000033 -0.000010 0.000020 -0.000009 -0.000000 87 H 6 S -0.000197 -0.000028 -0.000063 0.000119 0.000279 88 H 6 X -0.000020 0.000006 -0.000028 0.000012 0.000010 89 H 6 Y 0.000001 0.000001 -0.000001 -0.000014 0.000003 90 H 6 Z 0.000002 0.000000 0.000010 -0.000002 0.000003 91 C 7 S -0.000005 0.000007 0.000053 -0.000162 0.000135 92 C 7 S -0.000006 0.000019 0.000088 -0.000230 0.000196 93 C 7 S 0.000860 -0.000154 -0.001111 0.004473 -0.003634 94 C 7 X -0.000017 -0.000003 0.000019 0.000033 -0.000000 95 C 7 Y -0.000022 -0.000034 -0.000001 0.000019 -0.000014 96 C 7 Z -0.000010 0.000011 -0.000005 0.000004 -0.000067 97 C 7 X -0.000826 0.000060 0.001075 -0.001810 0.000625 98 C 7 Y -0.000138 0.000587 0.000435 -0.002908 0.002186 99 C 7 Z 0.000365 0.000204 -0.000284 0.000418 0.000218 100 C 7 XX 0.000010 0.000010 -0.000039 0.000010 -0.000023 101 C 7 YY -0.000010 -0.000002 0.000004 0.000040 -0.000030 102 C 7 ZZ -0.000000 -0.000008 0.000035 -0.000050 0.000052 103 C 7 XY 0.000038 -0.000018 -0.000065 0.000096 -0.000065 104 C 7 XZ -0.000020 -0.000019 0.000026 -0.000009 0.000027 105 C 7 YZ -0.000019 -0.000007 0.000021 -0.000026 0.000018 106 C 8 S -0.000011 0.000010 0.000017 -0.000034 0.000004 107 C 8 S -0.000018 0.000018 0.000029 -0.000057 0.000009 108 C 8 S 0.000135 -0.000057 -0.000126 0.000290 0.000459 109 C 8 X 0.000005 -0.000000 -0.000005 0.000020 -0.000010 110 C 8 Y 0.000002 -0.000005 -0.000008 0.000009 -0.000032 111 C 8 Z 0.000002 -0.000004 -0.000002 0.000003 -0.000002 112 C 8 X -0.000149 -0.000001 0.000058 -0.000271 0.000119 113 C 8 Y -0.000155 0.000149 0.000304 -0.000654 0.000306 114 C 8 Z -0.000027 0.000047 0.000035 -0.000078 0.000019 115 C 8 XX 0.000005 -0.000005 -0.000003 0.000015 0.000002 116 C 8 YY 0.000003 -0.000000 -0.000009 0.000012 -0.000008 117 C 8 ZZ -0.000008 0.000006 0.000012 -0.000027 0.000006 118 C 8 XY 0.000005 0.000004 -0.000000 0.000007 -0.000004 119 C 8 XZ -0.000000 -0.000002 0.000001 -0.000003 -0.000003 120 C 8 YZ 0.000004 -0.000000 -0.000005 0.000000 -0.000001 121 C 9 S -0.000024 0.000026 0.000034 -0.000059 0.000001 122 C 9 S -0.000040 0.000047 0.000062 -0.000113 0.000008 123 C 9 S 0.000581 0.000019 -0.000423 -0.000144 0.000677 124 C 9 X -0.000007 -0.000027 -0.000012 0.000042 -0.000038 125 C 9 Y -0.000008 0.000001 -0.000006 -0.000002 -0.000010 126 C 9 Z 0.000014 -0.000008 -0.000013 -0.000008 0.000003 127 C 9 X -0.000054 0.000271 0.000227 -0.000017 -0.000304 128 C 9 Y 0.000282 0.000177 -0.000031 0.000642 0.000773 129 C 9 Z 0.000043 -0.000204 0.000006 -0.000284 0.000188 130 C 9 XX -0.000007 -0.000007 0.000011 0.000032 0.000039 131 C 9 YY 0.000011 0.000006 -0.000009 0.000005 -0.000046 132 C 9 ZZ -0.000005 0.000001 -0.000002 -0.000037 0.000006 133 C 9 XY 0.000004 0.000013 0.000015 -0.000008 -0.000006 134 C 9 XZ -0.000002 0.000020 0.000006 -0.000000 0.000000 135 C 9 YZ -0.000001 0.000009 0.000008 0.000014 0.000027 136 C 10 S 0.000052 -0.000031 -0.000015 0.001805 -0.000938 137 C 10 S 0.000083 -0.000079 -0.000010 -0.000208 -0.000145 138 C 10 S -0.002325 0.000674 0.001809 0.002451 -0.000766 139 C 10 X 0.000033 0.000091 -0.000024 -0.000121 0.000094 140 C 10 Y 0.000001 -0.000059 -0.000033 0.000059 -0.000008 141 C 10 Z 0.000014 -0.000002 -0.000006 0.000030 0.000047 142 C 10 X -0.000557 0.000988 0.000064 -0.008569 0.005316 143 C 10 Y -0.000541 -0.000971 0.001159 0.000013 -0.000314 144 C 10 Z -0.000476 -0.001127 0.000218 0.000854 -0.001000 145 C 10 XX -0.000065 -0.000084 0.000065 0.000203 0.000005 146 C 10 YY 0.000037 0.000076 -0.000040 -0.000166 0.000060 147 C 10 ZZ 0.000028 0.000007 -0.000025 -0.000036 -0.000065 148 C 10 XY 0.000011 0.000012 0.000068 -0.000092 0.000100 149 C 10 XZ 0.000036 0.000162 -0.000002 0.000035 0.000083 150 C 10 YZ 0.000046 -0.000047 -0.000028 0.000006 0.000039 151 C 11 S 0.000085 0.000040 -0.000006 -0.000044 0.000333 152 C 11 S 0.000122 0.000082 -0.000040 -0.000155 0.000119 153 C 11 S -0.001239 0.001341 -0.000137 0.000034 -0.003566 154 C 11 X 0.000024 -0.000061 0.000081 -0.000014 0.000033 155 C 11 Y -0.000001 0.000034 0.000064 -0.000017 -0.000023 156 C 11 Z -0.000009 0.000006 0.000005 -0.000013 0.000074 157 C 11 X 0.002321 0.001733 0.001347 0.001812 -0.004114 158 C 11 Y 0.001563 -0.002242 0.000409 0.000717 0.000840 159 C 11 Z 0.000975 0.000300 -0.000903 -0.000260 -0.000361 160 C 11 XX -0.000042 0.000079 -0.000080 -0.000009 0.000016 161 C 11 YY -0.000045 -0.000089 0.000022 0.000105 -0.000079 162 C 11 ZZ 0.000086 0.000010 0.000057 -0.000096 0.000063 163 C 11 XY -0.000118 -0.000071 -0.000059 0.000080 -0.000006 164 C 11 XZ -0.000114 0.000042 0.000137 0.000017 0.000075 165 C 11 YZ -0.000037 -0.000010 0.000061 0.000031 -0.000018 166 C 12 S -0.000178 -0.000341 0.000167 0.924453 -0.387714 167 C 12 S -0.000308 -0.000535 0.000297 0.004298 -0.002201 168 C 12 S 0.001359 0.004999 -0.001284 -0.014652 0.012410 169 C 12 X -0.000021 -0.000108 0.000006 -0.000671 0.000073 170 C 12 Y 0.000030 0.000133 -0.000047 0.000677 -0.000556 171 C 12 Z -0.000025 0.000351 0.000001 0.000367 -0.000316 172 C 12 X 0.000627 -0.000117 -0.000622 -0.003449 0.000946 173 C 12 Y -0.000724 -0.000812 0.000132 0.003010 -0.003168 174 C 12 Z 0.000310 0.002588 0.000011 0.001096 -0.001042 175 C 12 XX 0.000003 -0.000072 0.000019 -0.000336 0.000017 176 C 12 YY -0.000021 -0.000083 -0.000027 0.000109 0.000044 177 C 12 ZZ 0.000017 0.000155 0.000008 0.000227 -0.000061 178 C 12 XY -0.000009 -0.000050 0.000019 -0.000026 0.000098 179 C 12 XZ -0.000006 -0.000091 0.000004 -0.000020 0.000029 180 C 12 YZ 0.000044 0.000048 0.000009 -0.000164 0.000088 181 C 13 S 0.000148 0.000023 0.000011 0.385640 0.914083 182 C 13 S 0.000235 0.000014 -0.000004 0.001453 0.004228 183 C 13 S -0.001964 -0.001196 -0.000654 0.000317 -0.012961 184 C 13 X -0.000038 -0.000061 -0.000058 -0.000228 -0.000833 185 C 13 Y 0.000044 -0.000119 0.000116 0.000341 -0.000173 186 C 13 Z -0.000024 -0.000040 -0.000010 -0.000113 -0.000676 187 C 13 X -0.000658 0.000186 0.000287 -0.000019 -0.003605 188 C 13 Y 0.000861 -0.000124 0.000433 0.001318 -0.000754 189 C 13 Z 0.000287 -0.000983 -0.000800 0.000034 -0.001676 190 C 13 XX 0.000008 0.000062 0.000051 0.000002 0.000152 191 C 13 YY -0.000094 -0.000016 -0.000038 -0.000143 -0.000349 192 C 13 ZZ 0.000086 -0.000045 -0.000014 0.000141 0.000197 193 C 13 XY 0.000059 -0.000029 0.000038 0.000116 0.000028 194 C 13 XZ 0.000043 -0.000050 -0.000055 -0.000077 -0.000213 195 C 13 YZ -0.000048 -0.000113 0.000097 0.000041 -0.000104 196 C 14 S -0.000302 0.000103 -0.000321 0.038265 0.139180 197 C 14 S -0.000452 0.000188 -0.000500 -0.000191 0.000368 198 C 14 S 0.006456 -0.000069 0.004914 0.002492 0.001967 199 C 14 X -0.000028 0.000029 -0.000110 -0.000021 -0.000315 200 C 14 Y -0.000272 0.000050 -0.000207 0.000002 0.000104 201 C 14 Z -0.000186 0.000010 0.000307 -0.000037 -0.000063 202 C 14 X 0.000629 -0.000460 -0.000252 -0.000147 -0.001362 203 C 14 Y -0.001164 0.000253 0.000020 0.000572 0.001055 204 C 14 Z -0.002336 -0.000139 0.002601 0.000610 -0.000565 205 C 14 XX -0.000065 0.000009 -0.000096 -0.000127 -0.000046 206 C 14 YY 0.000065 -0.000025 -0.000039 0.000100 0.000033 207 C 14 ZZ 0.000000 0.000016 0.000135 0.000027 0.000013 208 C 14 XY 0.000073 0.000020 0.000103 -0.000024 -0.000124 209 C 14 XZ 0.000005 -0.000009 -0.000084 -0.000035 0.000014 210 C 14 YZ 0.000177 -0.000029 -0.000100 0.000049 -0.000032 211 F 15 S 0.000214 1.001150 0.000301 -0.000036 0.000022 212 F 15 S 0.000080 0.001481 -0.000044 0.000124 -0.000053 213 F 15 S -0.000355 -0.005971 0.000189 0.000403 -0.000553 214 F 15 X 0.000002 0.000266 0.000004 0.000060 -0.000002 215 F 15 Y -0.000001 -0.000107 -0.000009 0.000039 0.000033 216 F 15 Z 0.000002 -0.001009 0.000007 -0.000274 0.000149 217 F 15 X -0.000077 -0.000461 0.000029 0.000067 -0.000118 218 F 15 Y 0.000070 0.000218 -0.000007 -0.000375 0.000074 219 F 15 Z 0.000101 0.001642 -0.000085 0.000365 -0.000019 220 F 15 XX -0.000005 0.000093 0.000001 0.000048 -0.000029 221 F 15 YY 0.000008 0.000094 -0.000002 0.000101 -0.000024 222 F 15 ZZ -0.000003 -0.000187 0.000000 -0.000149 0.000053 223 F 15 XY -0.000000 0.000016 0.000003 0.000011 0.000023 224 F 15 XZ 0.000007 0.000092 -0.000001 0.000061 -0.000010 225 F 15 YZ -0.000007 -0.000037 0.000007 0.000014 0.000019 226 F 16 S 0.000240 0.001163 -0.000032 0.000021 0.000022 227 F 16 S -0.000051 0.000013 0.000013 0.000242 -0.000058 228 F 16 S 0.000200 -0.000103 0.000026 -0.000024 -0.000374 229 F 16 X 0.000010 -0.000023 -0.000013 0.000041 -0.000010 230 F 16 Y -0.000011 0.000017 -0.000010 -0.000213 0.000127 231 F 16 Z -0.000002 0.000040 -0.000004 0.000182 -0.000060 232 F 16 X -0.000043 0.000117 0.000084 0.000125 -0.000065 233 F 16 Y 0.000028 0.000044 -0.000001 0.000208 0.000077 234 F 16 Z 0.000022 -0.000456 0.000048 -0.000516 0.000110 235 F 16 XX -0.000001 0.000017 -0.000003 0.000046 -0.000026 236 F 16 YY -0.000001 0.000010 -0.000001 -0.000063 0.000037 237 F 16 ZZ 0.000002 -0.000027 0.000003 0.000017 -0.000011 238 F 16 XY 0.000000 -0.000015 -0.000007 0.000049 -0.000002 239 F 16 XZ -0.000001 -0.000006 0.000004 -0.000030 0.000018 240 F 16 YZ -0.000000 0.000038 -0.000007 0.000130 -0.000035 241 F 17 S 1.001176 -0.000153 0.001154 -0.000036 0.000042 242 F 17 S 0.001533 0.000035 0.000047 -0.000066 0.000099 243 F 17 S -0.006155 -0.000047 -0.000228 0.000111 -0.000376 244 F 17 X 0.000112 -0.000009 -0.000020 0.000007 0.000010 245 F 17 Y 0.000802 0.000016 -0.000028 -0.000026 0.000003 246 F 17 Z 0.000672 -0.000005 0.000032 0.000026 0.000032 247 F 17 X -0.000210 0.000054 0.000115 0.000005 0.000044 248 F 17 Y -0.001386 -0.000063 0.000050 0.000048 -0.000160 249 F 17 Z -0.001099 0.000051 -0.000462 -0.000174 -0.000111 250 F 17 XX 0.000113 -0.000005 0.000013 0.000015 -0.000000 251 F 17 YY -0.000088 -0.000004 0.000025 0.000007 0.000005 252 F 17 ZZ -0.000025 0.000009 -0.000038 -0.000022 -0.000005 253 F 17 XY -0.000031 0.000006 0.000014 -0.000007 -0.000020 254 F 17 XZ -0.000024 0.000003 0.000004 -0.000002 0.000004 255 F 17 YZ -0.000172 0.000004 -0.000026 -0.000022 -0.000026 256 F 18 S -0.001096 -0.000342 1.001150 0.000070 -0.000039 257 F 18 S 0.000044 -0.000033 0.001483 0.000132 -0.000054 258 F 18 S -0.000240 0.000121 -0.005956 -0.000601 0.000033 259 F 18 X -0.000006 0.000007 0.000286 0.000005 0.000034 260 F 18 Y -0.000053 0.000010 0.000355 -0.000034 -0.000023 261 F 18 Z -0.000012 0.000012 -0.000937 -0.000011 -0.000020 262 F 18 X -0.000016 -0.000002 -0.000502 -0.000032 -0.000069 263 F 18 Y 0.000330 -0.000011 -0.000615 -0.000010 0.000061 264 F 18 Z 0.000383 -0.000044 0.001525 0.000178 0.000105 265 F 18 XX 0.000014 0.000003 0.000091 0.000004 0.000003 266 F 18 YY 0.000030 0.000004 0.000058 0.000003 0.000028 267 F 18 ZZ -0.000044 -0.000007 -0.000149 -0.000007 -0.000031 268 F 18 XY 0.000014 -0.000004 -0.000037 -0.000005 -0.000036 269 F 18 XZ 0.000005 0.000001 0.000093 0.000003 0.000018 270 F 18 YZ -0.000023 -0.000002 0.000112 0.000004 -0.000009 271 C 19 S -0.000002 0.000008 0.000010 -0.000027 0.000020 272 C 19 S -0.000004 0.000014 0.000018 -0.000045 0.000033 273 C 19 S 0.000108 -0.000097 -0.000194 0.000455 -0.000375 274 C 19 X -0.000001 0.000001 0.000002 -0.000000 0.000009 275 C 19 Y -0.000001 0.000001 0.000001 -0.000005 0.000010 276 C 19 Z -0.000001 0.000000 0.000000 0.000001 0.000001 277 C 19 X -0.000010 0.000048 0.000056 -0.000171 0.000090 278 C 19 Y -0.000035 0.000046 0.000067 -0.000161 0.000144 279 C 19 Z -0.000007 -0.000015 0.000013 -0.000047 0.000028 280 C 19 XX -0.000002 -0.000001 -0.000002 -0.000001 0.000000 281 C 19 YY -0.000000 -0.000002 -0.000000 0.000003 -0.000004 282 C 19 ZZ 0.000003 0.000003 0.000002 -0.000002 0.000004 283 C 19 XY -0.000002 -0.000004 -0.000002 0.000006 -0.000009 284 C 19 XZ -0.000001 0.000000 -0.000001 0.000000 -0.000002 285 C 19 YZ 0.000000 -0.000000 -0.000001 -0.000001 -0.000003 286 H 20 S -0.000003 0.000004 0.000009 -0.000007 0.000018 287 H 20 S -0.000004 -0.000024 -0.000015 0.000051 -0.000003 288 H 20 X -0.000000 0.000002 -0.000000 -0.000003 -0.000001 289 H 20 Y -0.000001 0.000001 0.000001 0.000000 0.000001 290 H 20 Z -0.000000 0.000002 0.000000 0.000002 -0.000001 291 H 21 S -0.000002 0.000003 0.000005 -0.000028 0.000016 292 H 21 S -0.000006 -0.000020 0.000004 0.000003 -0.000007 293 H 21 X -0.000000 -0.000001 0.000000 0.000001 0.000002 294 H 21 Y 0.000002 0.000001 -0.000000 0.000001 0.000000 295 H 21 Z -0.000001 -0.000002 0.000001 -0.000002 -0.000000 296 C 22 S 0.000018 0.000006 0.000005 -0.000011 -0.000024 297 C 22 S 0.000033 0.000011 0.000010 -0.000019 -0.000041 298 C 22 S -0.000095 -0.000236 -0.000058 0.000050 0.000444 299 C 22 X -0.000004 0.000003 -0.000001 0.000002 -0.000003 300 C 22 Y 0.000008 -0.000004 0.000010 -0.000004 0.000003 301 C 22 Z 0.000002 0.000000 0.000001 0.000000 0.000000 302 C 22 X -0.000021 0.000031 -0.000085 0.000003 -0.000040 303 C 22 Y -0.000086 -0.000075 -0.000068 0.000055 0.000176 304 C 22 Z -0.000019 -0.000008 0.000001 -0.000001 0.000011 305 C 22 XX 0.000000 -0.000000 0.000003 -0.000000 0.000000 306 C 22 YY -0.000013 0.000004 -0.000007 0.000006 0.000004 307 C 22 ZZ 0.000012 -0.000004 0.000004 -0.000006 -0.000004 308 C 22 XY -0.000007 0.000002 -0.000013 0.000001 0.000002 309 C 22 XZ -0.000002 -0.000001 0.000002 -0.000000 0.000000 310 C 22 YZ 0.000000 0.000001 -0.000003 -0.000000 0.000000 311 H 23 S 0.000008 0.000003 -0.000005 -0.000003 -0.000011 312 H 23 S -0.000038 0.000005 -0.000042 0.000027 0.000006 313 H 23 X 0.000004 -0.000000 0.000001 -0.000001 -0.000003 314 H 23 Y 0.000002 0.000000 0.000006 0.000001 -0.000004 315 H 23 Z 0.000001 0.000001 0.000001 0.000001 0.000000 316 H 24 S 0.000005 0.000012 -0.000002 -0.000002 -0.000017 317 H 24 S 0.000011 -0.000002 0.000002 0.000001 -0.000001 318 H 24 X 0.000001 0.000000 0.000010 -0.000001 -0.000002 319 H 24 Y 0.000000 -0.000002 -0.000004 -0.000002 0.000002 320 H 24 Z 0.000001 -0.000003 -0.000001 -0.000001 0.000003 321 H 25 S -0.000003 0.000008 0.000002 -0.000004 -0.000015 322 H 25 S -0.000012 0.000005 0.000022 0.000004 0.000001 323 H 25 X 0.000006 0.000000 0.000005 -0.000001 -0.000003 324 H 25 Y -0.000002 -0.000001 -0.000001 -0.000001 0.000004 325 H 25 Z -0.000003 0.000003 0.000003 0.000002 -0.000003 326 C 26 S -0.000007 0.000017 0.000004 0.000001 -0.000014 327 C 26 S -0.000014 0.000033 0.000011 0.000002 -0.000024 328 C 26 S -0.000020 -0.000088 0.000083 -0.000114 0.000178 329 C 26 X -0.000001 -0.000011 -0.000003 0.000006 0.000000 330 C 26 Y -0.000003 0.000000 0.000001 -0.000003 -0.000007 331 C 26 Z -0.000011 0.000010 0.000018 -0.000002 -0.000000 332 C 26 X -0.000010 0.000029 0.000025 -0.000015 -0.000005 333 C 26 Y 0.000003 -0.000048 0.000013 -0.000110 -0.000060 334 C 26 Z 0.000049 -0.000090 -0.000014 -0.000036 0.000086 335 C 26 XX -0.000013 0.000010 0.000013 -0.000011 0.000026 336 C 26 YY 0.000004 -0.000005 -0.000005 0.000001 -0.000022 337 C 26 ZZ 0.000009 -0.000005 -0.000007 0.000011 -0.000004 338 C 26 XY -0.000006 -0.000017 -0.000008 0.000006 -0.000021 339 C 26 XZ -0.000000 -0.000022 -0.000015 0.000016 -0.000020 340 C 26 YZ -0.000011 -0.000005 -0.000006 -0.000017 -0.000009 341 H 27 S 0.000004 0.000036 0.000000 0.000012 0.000001 342 H 27 S 0.000039 -0.000056 -0.000013 -0.000070 -0.000032 343 H 27 X 0.000002 0.000006 0.000020 -0.000007 0.000016 344 H 27 Y 0.000001 -0.000000 0.000007 0.000007 -0.000007 345 H 27 Z 0.000004 0.000003 -0.000011 0.000004 -0.000004 346 H 28 S -0.000007 0.000012 -0.000012 0.000002 -0.000013 347 H 28 S 0.000026 0.000006 -0.000024 0.000067 0.000032 348 H 28 X -0.000004 -0.000010 -0.000002 -0.000005 0.000000 349 H 28 Y 0.000004 0.000000 -0.000002 0.000007 -0.000008 350 H 28 Z 0.000000 0.000006 -0.000006 0.000003 -0.000010 351 H 29 S 0.000010 -0.000026 -0.000026 0.000021 -0.000029 352 H 29 S 0.000020 -0.000041 -0.000030 -0.000008 0.000018 353 H 29 X -0.000004 0.000013 0.000007 -0.000006 0.000014 354 H 29 Y 0.000003 -0.000007 -0.000007 0.000007 -0.000003 355 H 29 Z 0.000000 -0.000004 -0.000007 0.000006 0.000003 356 C 30 S 0.000009 -0.000005 -0.000008 -0.000012 -0.000004 357 C 30 S 0.000018 -0.000011 -0.000017 -0.000021 -0.000006 358 C 30 S -0.000023 -0.000059 0.000029 -0.000040 0.000261 359 C 30 X -0.000007 0.000001 0.000005 0.000004 -0.000001 360 C 30 Y 0.000001 0.000002 -0.000001 0.000005 -0.000006 361 C 30 Z -0.000002 0.000011 0.000007 0.000018 -0.000012 362 C 30 X 0.000018 0.000028 -0.000027 0.000074 0.000037 363 C 30 Y 0.000017 -0.000084 -0.000060 -0.000030 -0.000041 364 C 30 Z -0.000000 -0.000030 -0.000051 -0.000007 -0.000165 365 C 30 XX 0.000003 0.000002 -0.000001 0.000000 -0.000031 366 C 30 YY 0.000001 -0.000005 -0.000002 -0.000004 0.000009 367 C 30 ZZ -0.000004 0.000004 0.000003 0.000004 0.000022 368 C 30 XY 0.000021 -0.000007 -0.000015 -0.000003 -0.000006 369 C 30 XZ 0.000019 -0.000013 -0.000010 -0.000023 0.000003 370 C 30 YZ -0.000008 0.000020 0.000009 0.000014 -0.000011 371 H 31 S -0.000003 0.000006 -0.000004 0.000015 -0.000006 372 H 31 S 0.000028 -0.000028 -0.000021 -0.000010 0.000001 373 H 31 X -0.000006 0.000006 0.000010 -0.000003 -0.000006 374 H 31 Y 0.000001 0.000009 0.000006 0.000003 -0.000013 375 H 31 Z -0.000003 0.000001 0.000004 -0.000004 -0.000003 376 H 32 S 0.000017 -0.000012 -0.000024 0.000013 -0.000008 377 H 32 S 0.000004 0.000103 0.000053 0.000078 0.000101 378 H 32 X 0.000014 -0.000014 -0.000003 -0.000020 0.000010 379 H 32 Y 0.000003 0.000007 0.000001 0.000005 -0.000015 380 H 32 Z 0.000002 -0.000007 -0.000002 -0.000018 -0.000004 381 H 33 S -0.000012 0.000008 0.000015 0.000013 0.000005 382 H 33 S -0.000018 0.000015 0.000040 -0.000016 -0.000003 383 H 33 X 0.000007 -0.000005 -0.000007 -0.000004 -0.000007 384 H 33 Y 0.000009 0.000001 -0.000005 -0.000002 -0.000004 385 H 33 Z 0.000001 0.000005 0.000000 -0.000005 -0.000001 386 H 34 S -0.000005 0.000005 0.000007 -0.000020 0.000014 387 H 34 S 0.000008 0.000012 -0.000007 0.000026 -0.000007 388 H 34 X -0.000002 -0.000000 0.000001 0.000003 0.000001 389 H 34 Y -0.000000 -0.000001 0.000001 -0.000002 -0.000001 390 H 34 Z 0.000000 -0.000000 0.000000 0.000001 -0.000001 391 F 35 S -0.000045 0.000169 0.000127 0.000062 0.000039 392 F 35 S -0.000015 -0.000055 -0.000043 0.000196 0.000293 393 F 35 S 0.000101 0.000312 0.000260 -0.000482 -0.000181 394 F 35 X 0.000002 0.000001 0.000003 0.000095 0.000258 395 F 35 Y 0.000007 0.000021 -0.000016 0.000008 0.000036 396 F 35 Z -0.000001 -0.000002 -0.000005 -0.000066 -0.000144 397 F 35 X 0.000079 0.000033 0.000004 -0.000334 -0.000317 398 F 35 Y -0.000088 -0.000077 0.000058 -0.000139 -0.000023 399 F 35 Z -0.000026 0.000009 0.000016 0.000214 0.000517 400 F 35 XX 0.000003 -0.000007 -0.000010 -0.000049 -0.000106 401 F 35 YY -0.000008 0.000003 0.000001 0.000030 0.000063 402 F 35 ZZ 0.000005 0.000004 0.000009 0.000019 0.000043 403 F 35 XY -0.000002 -0.000015 0.000012 0.000006 -0.000031 404 F 35 XZ -0.000001 0.000003 0.000003 0.000046 0.000105 405 F 35 YZ -0.000002 -0.000013 0.000014 0.000019 0.000001 406 F 36 S 0.000334 -0.000034 -0.000021 -0.000014 -0.000014 407 F 36 S -0.000023 -0.000001 -0.000004 0.000045 0.000179 408 F 36 S 0.000234 -0.000105 -0.000104 -0.000150 0.000360 409 F 36 X 0.000020 -0.000015 -0.000018 -0.000037 -0.000045 410 F 36 Y -0.000020 -0.000038 0.000037 -0.000048 -0.000008 411 F 36 Z -0.000003 -0.000015 -0.000008 0.000091 0.000303 412 F 36 X -0.000056 0.000036 0.000050 0.000192 0.000388 413 F 36 Y 0.000071 0.000153 -0.000160 0.000120 0.000014 414 F 36 Z 0.000045 0.000077 0.000039 -0.000286 -0.000411 415 F 36 XX 0.000012 -0.000004 -0.000003 0.000027 0.000092 416 F 36 YY -0.000007 -0.000003 -0.000004 0.000052 0.000070 417 F 36 ZZ -0.000005 0.000007 0.000007 -0.000079 -0.000162 418 F 36 XY 0.000022 0.000006 -0.000004 0.000025 -0.000016 419 F 36 XZ -0.000001 -0.000005 -0.000005 0.000027 0.000025 420 F 36 YZ 0.000005 -0.000003 -0.000001 0.000041 0.000012 421 C 37 S 0.000005 0.000018 0.000019 -0.000011 0.000034 422 C 37 S 0.000008 0.000032 0.000034 -0.000019 0.000056 423 C 37 S -0.000275 -0.000153 0.000070 -0.000482 -0.000430 424 C 37 X 0.000003 0.000002 -0.000004 0.000003 -0.000004 425 C 37 Y 0.000000 0.000005 0.000006 -0.000004 0.000027 426 C 37 Z 0.000004 0.000010 -0.000001 0.000008 0.000005 427 C 37 X 0.000177 0.000060 0.000030 0.000238 0.000389 428 C 37 Y 0.000040 0.000199 0.000173 -0.000238 -0.000091 429 C 37 Z 0.000039 0.000033 0.000012 0.000052 0.000029 430 C 37 XX -0.000004 -0.000002 -0.000014 0.000009 -0.000019 431 C 37 YY 0.000003 -0.000006 -0.000000 0.000006 -0.000006 432 C 37 ZZ 0.000001 0.000009 0.000014 -0.000015 0.000025 433 C 37 XY -0.000003 -0.000010 -0.000012 0.000011 -0.000011 434 C 37 XZ -0.000006 -0.000003 0.000002 -0.000012 -0.000010 435 C 37 YZ -0.000005 -0.000007 0.000000 -0.000015 -0.000002 436 S 38 S 0.000004 0.000002 0.000001 -0.000007 0.000007 437 S 38 S 0.000025 0.000013 0.000011 -0.000051 0.000051 438 S 38 S 0.000026 0.000015 0.000015 -0.000067 0.000060 439 S 38 S -0.000153 -0.000263 -0.000089 0.000790 -0.000689 440 S 38 X 0.000004 0.000000 -0.000002 0.000006 0.000010 441 S 38 Y 0.000002 0.000010 0.000002 -0.000020 0.000016 442 S 38 Z -0.000002 0.000007 0.000001 -0.000004 -0.000003 443 S 38 X 0.000013 -0.000004 -0.000009 0.000029 0.000027 444 S 38 Y 0.000007 0.000031 0.000004 -0.000054 0.000046 445 S 38 Z -0.000007 0.000025 0.000006 -0.000015 -0.000011 446 S 38 X -0.000013 -0.000016 -0.000072 -0.000015 -0.000177 447 S 38 Y 0.000056 0.000109 0.000007 -0.000357 0.000227 448 S 38 Z -0.000043 -0.000075 0.000030 -0.000048 -0.000004 449 S 38 XX -0.000010 0.000026 0.000006 -0.000053 0.000004 450 S 38 YY -0.000002 -0.000025 -0.000002 0.000044 -0.000005 451 S 38 ZZ 0.000013 -0.000001 -0.000003 0.000010 0.000002 452 S 38 XY -0.000019 0.000007 0.000020 -0.000032 0.000021 453 S 38 XZ -0.000003 -0.000003 0.000002 0.000006 -0.000005 454 S 38 YZ 0.000023 0.000012 -0.000017 0.000028 0.000015 455 S 38 XX 0.000001 -0.000004 -0.000001 0.000006 -0.000000 456 S 38 YY 0.000000 0.000003 0.000000 -0.000004 0.000000 457 S 38 ZZ -0.000002 0.000001 0.000000 -0.000001 0.000000 458 S 38 XY 0.000002 -0.000001 -0.000002 0.000003 -0.000003 459 S 38 XZ 0.000001 0.000000 -0.000000 -0.000001 0.000001 460 S 38 YZ -0.000003 -0.000002 0.000002 -0.000003 -0.000002 461 H 39 S -0.000001 0.000011 0.000008 -0.000024 -0.000023 462 H 39 S -0.000049 0.000005 -0.000018 -0.000066 -0.000116 463 H 39 X -0.000003 -0.000003 -0.000003 -0.000001 -0.000011 464 H 39 Y -0.000003 -0.000010 -0.000007 0.000009 0.000001 465 H 39 Z -0.000003 -0.000000 -0.000001 -0.000003 -0.000004 11 12 13 14 15 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S -0.000044 -0.000376 -0.000009 -0.000034 0.000370 2 C 1 S -0.000074 -0.000147 0.000009 -0.000035 -0.000029 3 C 1 S 0.000291 0.000689 -0.000109 0.000313 0.000555 4 C 1 X 0.000003 0.000040 -0.000016 -0.000011 -0.000014 5 C 1 Y 0.000000 -0.000079 -0.000014 -0.000005 0.000007 6 C 1 Z 0.000004 -0.000035 0.000002 -0.000004 -0.000018 7 C 1 X -0.000590 -0.001812 -0.000094 -0.000010 -0.000371 8 C 1 Y 0.000174 0.000387 0.000219 0.000211 0.000078 9 C 1 Z 0.000007 0.000352 -0.000015 0.000027 0.000101 10 C 1 XX 0.000043 -0.000001 0.000007 0.000002 0.000014 11 C 1 YY -0.000004 0.000043 -0.000001 0.000007 -0.000008 12 C 1 ZZ -0.000039 -0.000042 -0.000006 -0.000009 -0.000007 13 C 1 XY -0.000014 -0.000035 -0.000009 0.000007 -0.000000 14 C 1 XZ -0.000000 -0.000019 -0.000003 -0.000002 -0.000005 15 C 1 YZ 0.000001 0.000063 0.000006 0.000001 0.000014 16 C 2 S -0.000054 -0.000153 0.000019 -0.000003 0.000010 17 C 2 S -0.000083 -0.000212 0.000027 -0.000002 -0.000009 18 C 2 S 0.001739 -0.000320 -0.001352 -0.000261 -0.000772 19 C 2 X -0.000009 -0.000027 0.000013 0.000008 0.000017 20 C 2 Y 0.000017 -0.000099 -0.000032 -0.000006 -0.000020 21 C 2 Z 0.000008 -0.000010 -0.000002 -0.000002 -0.000024 22 C 2 X -0.000328 -0.002152 0.000337 -0.000207 -0.000414 23 C 2 Y 0.001225 0.000603 -0.000540 -0.000189 -0.000094 24 C 2 Z 0.000190 0.000042 -0.000005 -0.000005 0.000034 25 C 2 XX -0.000052 0.000074 -0.000015 0.000002 -0.000015 26 C 2 YY 0.000045 0.000014 0.000009 -0.000003 0.000013 27 C 2 ZZ 0.000008 -0.000088 0.000006 0.000001 0.000002 28 C 2 XY 0.000045 -0.000029 0.000018 -0.000000 0.000036 29 C 2 XZ 0.000003 0.000023 0.000013 0.000004 0.000026 30 C 2 YZ 0.000019 0.000047 -0.000002 0.000000 -0.000017 31 C 3 S -0.000146 0.013134 -0.000056 -0.000043 -0.001896 32 C 3 S -0.000207 0.000039 0.000085 -0.000055 -0.000208 33 C 3 S 0.004296 0.003069 -0.000179 0.000480 -0.000109 34 C 3 X 0.000032 0.000132 0.000019 0.000007 -0.000007 35 C 3 Y -0.000040 0.000104 0.000041 0.000001 -0.000065 36 C 3 Z 0.000014 0.000045 -0.000002 -0.000000 -0.000002 37 C 3 X -0.002871 0.005305 -0.001131 0.000379 0.000227 38 C 3 Y 0.004098 0.003192 -0.002298 -0.000075 -0.000748 39 C 3 Z -0.000274 0.000600 -0.000279 0.000013 -0.000013 40 C 3 XX 0.000035 -0.000086 0.000022 -0.000000 -0.000056 41 C 3 YY 0.000011 0.000068 -0.000024 0.000019 0.000087 42 C 3 ZZ -0.000046 0.000018 0.000002 -0.000019 -0.000032 43 C 3 XY -0.000092 -0.000044 -0.000041 0.000023 0.000051 44 C 3 XZ -0.000001 -0.000023 -0.000019 0.000003 0.000007 45 C 3 YZ -0.000014 0.000009 -0.000041 -0.000004 -0.000124 46 C 4 S -0.000053 1.002917 -0.001213 -0.000092 -0.016260 47 C 4 S -0.000107 0.005979 -0.000310 0.000006 -0.000140 48 C 4 S -0.000482 -0.018886 0.001596 0.000079 0.003782 49 C 4 X 0.000051 0.000105 0.000033 -0.000029 -0.000039 50 C 4 Y 0.000005 -0.000245 -0.000108 0.000007 0.000210 51 C 4 Z -0.000002 -0.000200 -0.000070 -0.000006 -0.000140 52 C 4 X 0.000068 0.002312 -0.001815 0.000381 -0.000134 53 C 4 Y -0.000710 0.001862 0.000196 0.000415 0.001734 54 C 4 Z 0.000352 0.001183 -0.000314 0.000121 -0.000681 55 C 4 XX 0.000022 -0.000182 0.000078 -0.000019 0.000045 56 C 4 YY 0.000014 -0.000021 0.000005 0.000035 -0.000055 57 C 4 ZZ -0.000037 0.000203 -0.000083 -0.000016 0.000010 58 C 4 XY 0.000025 -0.000000 -0.000045 -0.000009 0.000026 59 C 4 XZ -0.000012 0.000021 0.000011 -0.000002 -0.000022 60 C 4 YZ 0.000020 -0.000054 -0.000070 -0.000004 0.000124 61 S 5 S -0.000008 -0.000042 -0.000012 0.000005 0.000002 62 S 5 S -0.000061 -0.000240 -0.000082 0.000033 0.000009 63 S 5 S -0.000071 -0.000233 -0.000093 0.000033 -0.000009 64 S 5 S 0.000169 0.002841 0.000562 -0.000244 -0.000170 65 S 5 X 0.000004 -0.000129 -0.000004 0.000001 0.000018 66 S 5 Y 0.000000 0.000100 0.000007 -0.000010 -0.000016 67 S 5 Z -0.000003 0.000041 0.000000 -0.000002 0.000001 68 S 5 X 0.000008 -0.000425 -0.000014 0.000004 0.000065 69 S 5 Y -0.000000 0.000329 0.000024 -0.000033 -0.000059 70 S 5 Z -0.000011 0.000131 0.000000 -0.000006 0.000001 71 S 5 X -0.000040 -0.001191 -0.000211 0.000096 0.000067 72 S 5 Y -0.000068 0.000150 0.000246 0.000100 -0.000215 73 S 5 Z -0.000035 0.000151 0.000171 -0.000005 0.000032 74 S 5 XX 0.000005 0.000050 -0.000005 0.000006 -0.000026 75 S 5 YY 0.000025 0.000065 0.000033 -0.000017 -0.000003 76 S 5 ZZ -0.000030 -0.000115 -0.000028 0.000011 0.000029 77 S 5 XY -0.000010 -0.000136 -0.000036 -0.000009 0.000046 78 S 5 XZ 0.000018 -0.000027 -0.000026 -0.000002 -0.000021 79 S 5 YZ -0.000007 0.000021 0.000031 -0.000005 -0.000039 80 S 5 XX -0.000001 0.000015 0.000000 -0.000000 0.000003 81 S 5 YY -0.000003 -0.000011 -0.000004 0.000001 -0.000001 82 S 5 ZZ 0.000004 -0.000004 0.000004 -0.000001 -0.000002 83 S 5 XY 0.000001 -0.000020 0.000004 0.000001 -0.000002 84 S 5 XZ -0.000002 -0.000012 0.000003 0.000001 0.000004 85 S 5 YZ 0.000001 0.000008 -0.000004 0.000000 0.000006 86 H 6 S -0.000046 -0.000121 0.000032 -0.000025 -0.000034 87 H 6 S 0.000195 -0.000321 0.000008 -0.000092 -0.000099 88 H 6 X 0.000034 0.000049 -0.000012 0.000003 0.000005 89 H 6 Y -0.000046 -0.000033 0.000007 0.000001 -0.000015 90 H 6 Z -0.000012 0.000014 -0.000000 0.000000 -0.000005 91 C 7 S -0.000052 0.000575 1.001539 0.001415 -0.019769 92 C 7 S -0.000087 -0.000274 0.004798 -0.000070 -0.000129 93 C 7 S -0.001043 0.000614 -0.013172 0.000909 0.004995 94 C 7 X -0.000001 -0.000008 -0.000092 -0.000030 0.000203 95 C 7 Y 0.000038 0.000049 0.000032 -0.000014 -0.000130 96 C 7 Z 0.000045 0.000006 -0.000031 -0.000028 -0.000053 97 C 7 X 0.000165 0.000351 0.001648 0.000468 0.004911 98 C 7 Y -0.000283 -0.000107 0.002012 -0.001439 -0.002245 99 C 7 Z -0.000391 -0.000090 -0.000100 0.000085 -0.000948 100 C 7 XX 0.000020 -0.000010 0.000211 0.000093 -0.000074 101 C 7 YY 0.000026 0.000067 -0.000005 -0.000023 0.000058 102 C 7 ZZ -0.000046 -0.000058 -0.000206 -0.000070 0.000016 103 C 7 XY 0.000051 -0.000091 0.000286 0.000050 0.000029 104 C 7 XZ -0.000007 -0.000002 -0.000098 0.000006 0.000032 105 C 7 YZ -0.000001 -0.000112 -0.000035 0.000003 -0.000023 106 C 8 S -0.000010 0.000091 -0.001470 1.001763 -0.000228 107 C 8 S -0.000018 -0.000007 -0.000022 0.003974 -0.000136 108 C 8 S 0.000000 -0.000013 -0.000087 -0.010995 -0.001343 109 C 8 X 0.000008 0.000004 0.000038 -0.000431 -0.000032 110 C 8 Y 0.000010 -0.000011 0.000006 0.000162 0.000122 111 C 8 Z 0.000000 0.000031 -0.000026 -0.000029 0.000032 112 C 8 X 0.000023 -0.000101 0.000255 0.000055 0.000309 113 C 8 Y -0.000277 -0.000043 -0.000594 0.001262 0.000654 114 C 8 Z -0.000023 -0.000102 0.000026 0.000215 -0.000112 115 C 8 XX -0.000003 -0.000009 -0.000005 -0.000300 0.000059 116 C 8 YY 0.000009 0.000013 0.000031 0.000548 -0.000026 117 C 8 ZZ -0.000006 -0.000004 -0.000026 -0.000248 -0.000033 118 C 8 XY -0.000009 0.000002 0.000058 0.000100 0.000040 119 C 8 XZ 0.000000 0.000023 0.000002 -0.000001 0.000034 120 C 8 YZ -0.000000 -0.000010 0.000010 0.000124 0.000052 121 C 9 S -0.000040 0.016109 0.020038 -0.000060 1.002915 122 C 9 S -0.000070 0.000059 0.000491 0.000036 0.006513 123 C 9 S 0.000352 0.002654 -0.000814 -0.001196 -0.021211 124 C 9 X 0.000021 -0.000018 -0.000214 -0.000029 -0.000171 125 C 9 Y 0.000011 -0.000171 0.000146 -0.000010 0.000144 126 C 9 Z -0.000019 0.000132 0.000058 0.000039 0.000203 127 C 9 X -0.000084 0.000586 -0.000211 0.000759 0.002099 128 C 9 Y -0.000461 -0.001671 -0.000103 -0.000056 -0.002244 129 C 9 Z 0.000383 0.000700 0.000868 -0.000478 -0.002039 130 C 9 XX -0.000010 0.000020 0.000036 -0.000057 -0.000143 131 C 9 YY 0.000013 -0.000049 -0.000078 0.000121 0.000010 132 C 9 ZZ -0.000004 0.000029 0.000042 -0.000063 0.000133 133 C 9 XY -0.000024 0.000048 0.000152 0.000036 0.000143 134 C 9 XZ 0.000001 -0.000013 0.000005 0.000022 0.000052 135 C 9 YZ -0.000022 0.000092 -0.000042 0.000015 -0.000026 136 C 10 S 0.000060 -0.000319 0.036765 0.000152 -0.006617 137 C 10 S 0.000058 -0.000238 -0.000095 0.000023 -0.000095 138 C 10 S -0.000953 0.001949 0.001837 -0.001065 -0.000969 139 C 10 X -0.000069 -0.000057 -0.000137 -0.000003 -0.000056 140 C 10 Y 0.000006 0.000024 -0.000080 -0.000029 -0.000031 141 C 10 Z -0.000022 -0.000042 0.000045 0.000022 0.000005 142 C 10 X 0.002504 0.000508 0.003748 -0.000885 -0.000256 143 C 10 Y 0.000911 -0.001286 0.003708 0.000640 0.003225 144 C 10 Z 0.000138 0.000071 -0.000743 -0.000002 0.000046 145 C 10 XX -0.000013 -0.000005 0.000008 -0.000024 0.000042 146 C 10 YY 0.000046 0.000069 -0.000247 -0.000005 -0.000002 147 C 10 ZZ -0.000033 -0.000064 0.000239 0.000029 -0.000040 148 C 10 XY -0.000170 0.000034 -0.000050 -0.000012 0.000021 149 C 10 XZ -0.000002 0.000007 0.000012 0.000010 -0.000054 150 C 10 YZ -0.000051 -0.000027 -0.000003 0.000005 0.000002 151 C 11 S 0.001846 0.000043 0.000361 -0.000039 -0.000999 152 C 11 S -0.000270 -0.000173 -0.000140 -0.000058 -0.000281 153 C 11 S 0.003938 0.000711 0.002205 0.000855 0.002952 154 C 11 X -0.000120 -0.000051 0.000010 0.000002 -0.000038 155 C 11 Y -0.000066 0.000014 0.000021 0.000006 -0.000040 156 C 11 Z -0.000021 -0.000010 0.000019 -0.000005 0.000042 157 C 11 X -0.010354 0.000801 -0.000351 0.000231 0.000718 158 C 11 Y -0.000615 -0.002936 0.002709 0.000534 0.002092 159 C 11 Z -0.000271 0.000025 0.000100 0.000072 -0.000097 160 C 11 XX 0.000138 0.000041 -0.000002 -0.000011 -0.000010 161 C 11 YY -0.000079 0.000039 0.000121 0.000032 0.000101 162 C 11 ZZ -0.000058 -0.000080 -0.000119 -0.000021 -0.000091 163 C 11 XY 0.000168 -0.000041 0.000018 -0.000005 -0.000066 164 C 11 XZ -0.000018 0.000049 -0.000024 -0.000002 0.000004 165 C 11 YZ 0.000030 0.000017 0.000011 0.000008 -0.000020 166 C 12 S 0.018490 -0.000064 -0.000162 0.000010 -0.000036 167 C 12 S -0.000076 -0.000118 -0.000218 0.000016 -0.000082 168 C 12 S 0.000146 0.000522 0.002041 -0.000544 -0.000202 169 C 12 X 0.000134 -0.000012 -0.000028 -0.000028 -0.000058 170 C 12 Y 0.000121 0.000001 -0.000030 -0.000016 -0.000030 171 C 12 Z 0.000044 0.000015 0.000001 0.000002 0.000002 172 C 12 X 0.000407 0.000352 0.000378 -0.000020 -0.000039 173 C 12 Y 0.000191 0.000198 -0.000763 0.000260 -0.000103 174 C 12 Z 0.000475 -0.000120 -0.000151 0.000011 0.000067 175 C 12 XX -0.000082 0.000016 -0.000019 0.000004 -0.000028 176 C 12 YY 0.000073 0.000013 0.000049 0.000005 0.000018 177 C 12 ZZ 0.000009 -0.000029 -0.000030 -0.000009 0.000010 178 C 12 XY -0.000077 -0.000011 -0.000056 -0.000042 -0.000079 179 C 12 XZ -0.000031 0.000002 0.000010 0.000011 -0.000022 180 C 12 YZ -0.000049 -0.000018 -0.000033 -0.000020 -0.000017 181 C 13 S -0.143720 -0.000038 0.000037 -0.000012 -0.000017 182 C 13 S -0.000996 -0.000073 0.000079 -0.000017 -0.000027 183 C 13 S 0.007439 0.000314 -0.000671 0.000341 0.000308 184 C 13 X 0.000290 -0.000005 0.000014 0.000009 0.000010 185 C 13 Y -0.000378 -0.000006 -0.000001 0.000014 0.000016 186 C 13 Z 0.000188 -0.000007 -0.000006 0.000002 0.000007 187 C 13 X 0.002145 0.000100 -0.000225 0.000000 0.000020 188 C 13 Y -0.001493 0.000010 -0.000141 0.000036 -0.000051 189 C 13 Z 0.000796 0.000104 -0.000113 0.000175 -0.000024 190 C 13 XX -0.000049 0.000016 0.000046 -0.000003 0.000011 191 C 13 YY 0.000042 -0.000009 -0.000012 0.000008 0.000009 192 C 13 ZZ 0.000007 -0.000007 -0.000034 -0.000005 -0.000020 193 C 13 XY -0.000108 -0.000009 0.000026 0.000009 0.000013 194 C 13 XZ 0.000027 -0.000000 -0.000011 0.000000 -0.000006 195 C 13 YZ -0.000062 -0.000002 -0.000007 0.000010 0.000016 196 C 14 S 0.992219 -0.000061 -0.000087 -0.000014 -0.000054 197 C 14 S 0.004849 -0.000102 -0.000146 -0.000027 -0.000100 198 C 14 S -0.019588 -0.000112 0.000847 0.000136 0.000722 199 C 14 X -0.000547 -0.000050 -0.000027 -0.000008 -0.000009 200 C 14 Y -0.001058 -0.000001 -0.000005 -0.000000 -0.000003 201 C 14 Z 0.000210 0.000008 -0.000006 0.000003 -0.000005 202 C 14 X -0.002805 -0.000016 0.000280 0.000181 0.000472 203 C 14 Y -0.005080 0.000147 0.000031 -0.000120 -0.000136 204 C 14 Z 0.000586 -0.000057 0.000053 -0.000049 0.000204 205 C 14 XX -0.000284 -0.000040 -0.000004 0.000002 0.000023 206 C 14 YY 0.000007 0.000037 0.000015 -0.000000 -0.000014 207 C 14 ZZ 0.000277 0.000003 -0.000010 -0.000002 -0.000010 208 C 14 XY -0.000024 0.000045 -0.000018 0.000001 -0.000001 209 C 14 XZ -0.000074 0.000018 -0.000007 -0.000000 -0.000011 210 C 14 YZ 0.000101 0.000035 -0.000009 0.000004 -0.000005 211 F 15 S 0.000049 -0.000002 0.000005 0.000000 0.000017 212 F 15 S 0.000096 -0.000003 0.000010 0.000001 0.000032 213 F 15 S -0.000314 0.000015 -0.000064 0.000021 -0.000099 214 F 15 X -0.000011 0.000005 0.000002 0.000001 0.000005 215 F 15 Y 0.000022 0.000006 -0.000002 0.000007 0.000005 216 F 15 Z -0.000014 -0.000004 -0.000004 -0.000003 -0.000001 217 F 15 X 0.000024 -0.000031 -0.000005 -0.000008 -0.000043 218 F 15 Y -0.000025 -0.000030 0.000023 -0.000040 -0.000019 219 F 15 Z 0.000101 0.000009 0.000038 -0.000008 0.000031 220 F 15 XX 0.000007 -0.000001 -0.000000 -0.000002 -0.000002 221 F 15 YY -0.000002 -0.000001 -0.000001 -0.000000 0.000003 222 F 15 ZZ -0.000004 0.000002 0.000001 0.000003 -0.000001 223 F 15 XY -0.000011 -0.000001 -0.000009 -0.000002 -0.000004 224 F 15 XZ -0.000005 0.000001 -0.000002 0.000001 0.000003 225 F 15 YZ -0.000013 0.000002 -0.000002 0.000003 0.000002 226 F 16 S -0.000037 0.000016 0.000023 0.000009 0.000010 227 F 16 S -0.000065 0.000028 0.000038 0.000016 0.000018 228 F 16 S 0.000176 -0.000137 -0.000154 -0.000082 -0.000066 229 F 16 X 0.000002 -0.000004 0.000002 -0.000008 -0.000002 230 F 16 Y 0.000008 0.000001 -0.000000 -0.000005 -0.000003 231 F 16 Z 0.000017 -0.000001 -0.000006 0.000001 -0.000002 232 F 16 X -0.000018 -0.000008 -0.000105 0.000005 -0.000037 233 F 16 Y -0.000064 0.000033 0.000114 0.000040 0.000051 234 F 16 Z -0.000117 -0.000020 -0.000002 -0.000023 -0.000015 235 F 16 XX 0.000015 0.000005 -0.000001 0.000003 0.000002 236 F 16 YY -0.000007 -0.000003 -0.000005 -0.000002 -0.000003 237 F 16 ZZ -0.000009 -0.000002 0.000007 -0.000001 0.000001 238 F 16 XY 0.000001 0.000001 0.000008 0.000004 0.000007 239 F 16 XZ -0.000008 -0.000002 -0.000004 -0.000000 -0.000001 240 F 16 YZ 0.000014 0.000001 0.000008 0.000003 0.000005 241 F 17 S -0.000015 0.000016 0.000000 0.000004 -0.000004 242 F 17 S 0.000192 0.000030 -0.000000 0.000006 -0.000008 243 F 17 S 0.000349 -0.000095 -0.000031 -0.000045 0.000005 244 F 17 X -0.000003 0.000005 -0.000007 -0.000000 -0.000001 245 F 17 Y 0.000195 0.000004 -0.000000 -0.000003 -0.000004 246 F 17 Z 0.000240 -0.000005 0.000002 0.000001 0.000007 247 F 17 X 0.000185 -0.000048 0.000029 -0.000007 -0.000002 248 F 17 Y 0.000081 -0.000067 -0.000009 0.000005 0.000028 249 F 17 Z -0.000496 -0.000011 -0.000024 -0.000016 -0.000041 250 F 17 XX 0.000063 0.000002 0.000005 0.000001 0.000004 251 F 17 YY -0.000026 -0.000004 -0.000000 0.000000 0.000002 252 F 17 ZZ -0.000037 0.000001 -0.000004 -0.000002 -0.000005 253 F 17 XY -0.000010 -0.000003 0.000001 -0.000001 0.000000 254 F 17 XZ -0.000016 -0.000002 0.000000 -0.000001 -0.000001 255 F 17 YZ -0.000147 -0.000007 0.000001 0.000000 0.000002 256 F 18 S -0.000039 0.000002 0.000017 0.000001 0.000021 257 F 18 S 0.000140 0.000003 0.000030 0.000002 0.000038 258 F 18 S 0.000600 -0.000000 -0.000124 0.000001 -0.000153 259 F 18 X 0.000064 0.000004 0.000001 0.000001 0.000001 260 F 18 Y 0.000058 0.000002 0.000001 -0.000001 -0.000002 261 F 18 Z -0.000303 -0.000002 0.000000 -0.000002 -0.000001 262 F 18 X 0.000061 -0.000035 -0.000022 -0.000008 -0.000030 263 F 18 Y 0.000309 -0.000013 -0.000023 0.000010 -0.000002 264 F 18 Z 0.000385 0.000001 0.000034 0.000009 0.000039 265 F 18 XX 0.000051 -0.000006 0.000003 0.000000 0.000003 266 F 18 YY 0.000082 0.000002 -0.000002 -0.000000 -0.000002 267 F 18 ZZ -0.000132 0.000004 -0.000001 -0.000000 -0.000001 268 F 18 XY -0.000020 -0.000001 -0.000002 0.000000 0.000000 269 F 18 XZ 0.000063 0.000003 0.000001 0.000001 0.000002 270 F 18 YZ 0.000067 0.000000 -0.000001 -0.000001 -0.000001 271 C 19 S -0.000013 -0.000005 -0.000035 0.009208 -0.000041 272 C 19 S -0.000022 -0.000003 -0.000071 -0.000112 -0.000117 273 C 19 S 0.000191 0.000052 0.000362 0.001063 0.000059 274 C 19 X -0.000002 0.000004 0.000016 0.000055 0.000010 275 C 19 Y -0.000004 0.000000 0.000005 0.000091 0.000028 276 C 19 Z -0.000001 -0.000005 0.000006 0.000015 -0.000004 277 C 19 X -0.000082 -0.000045 -0.000331 -0.000050 -0.000112 278 C 19 Y -0.000067 -0.000011 -0.000045 -0.000928 -0.000202 279 C 19 Z -0.000009 0.000096 -0.000096 -0.000155 0.000089 280 C 19 XX 0.000003 -0.000002 0.000027 -0.000146 0.000011 281 C 19 YY 0.000002 -0.000001 -0.000026 -0.000055 0.000006 282 C 19 ZZ -0.000005 0.000004 -0.000001 0.000200 -0.000017 283 C 19 XY 0.000007 -0.000001 0.000014 -0.000284 0.000020 284 C 19 XZ 0.000002 -0.000010 0.000010 -0.000043 0.000003 285 C 19 YZ 0.000001 0.000005 -0.000006 -0.000045 0.000018 286 H 20 S -0.000007 0.000008 0.000004 -0.000051 -0.000029 287 H 20 S 0.000024 0.000011 0.000140 -0.000238 0.000140 288 H 20 X 0.000001 -0.000001 0.000002 -0.000036 -0.000017 289 H 20 Y 0.000001 0.000003 0.000002 0.000052 -0.000013 290 H 20 Z 0.000000 -0.000008 0.000008 0.000009 -0.000015 291 H 21 S -0.000008 0.000016 -0.000053 -0.000127 0.000008 292 H 21 S 0.000008 0.000027 -0.000036 0.000443 0.000057 293 H 21 X 0.000000 0.000006 0.000010 -0.000060 0.000019 294 H 21 Y -0.000002 -0.000005 -0.000004 -0.000071 0.000015 295 H 21 Z 0.000000 -0.000002 -0.000004 0.000018 0.000019 296 C 22 S -0.000030 -0.000079 -0.000009 -0.000004 0.000005 297 C 22 S -0.000052 -0.000154 -0.000015 -0.000005 0.000010 298 C 22 S 0.000297 0.000911 0.000190 0.000054 0.000007 299 C 22 X 0.000004 -0.000003 -0.000009 0.000001 0.000002 300 C 22 Y -0.000005 -0.000017 0.000001 -0.000003 -0.000001 301 C 22 Z -0.000001 0.000008 0.000002 0.000001 0.000005 302 C 22 X -0.000008 0.000102 0.000041 -0.000021 0.000034 303 C 22 Y 0.000207 0.000694 0.000105 0.000027 0.000017 304 C 22 Z 0.000015 -0.000088 0.000013 -0.000010 -0.000072 305 C 22 XX -0.000004 -0.000035 -0.000005 0.000003 -0.000004 306 C 22 YY 0.000014 0.000054 0.000000 -0.000005 0.000006 307 C 22 ZZ -0.000011 -0.000019 0.000005 0.000002 -0.000002 308 C 22 XY 0.000001 0.000021 -0.000001 -0.000003 0.000010 309 C 22 XZ -0.000001 -0.000012 -0.000003 -0.000001 -0.000008 310 C 22 YZ 0.000003 0.000006 0.000002 -0.000001 0.000001 311 H 23 S -0.000013 -0.000021 0.000012 0.000002 -0.000004 312 H 23 S 0.000099 0.000271 0.000010 0.000013 0.000029 313 H 23 X -0.000003 0.000002 0.000005 0.000001 -0.000002 314 H 23 Y 0.000005 -0.000009 -0.000005 0.000003 -0.000001 315 H 23 Z 0.000000 0.000013 -0.000000 0.000001 0.000008 316 H 24 S -0.000010 -0.000027 -0.000015 -0.000000 0.000028 317 H 24 S 0.000005 0.000015 -0.000020 0.000009 0.000006 318 H 24 X -0.000004 -0.000023 -0.000005 0.000000 -0.000007 319 H 24 Y 0.000000 -0.000019 -0.000003 -0.000002 0.000000 320 H 24 Z -0.000002 -0.000001 0.000006 0.000000 0.000000 321 H 25 S -0.000009 -0.000086 -0.000025 -0.000006 -0.000010 322 H 25 S -0.000008 -0.000014 0.000015 0.000004 -0.000026 323 H 25 X -0.000002 -0.000016 -0.000006 0.000002 0.000001 324 H 25 Y -0.000003 0.000002 0.000001 -0.000001 0.000006 325 H 25 Z 0.000000 0.000000 -0.000004 -0.000000 -0.000000 326 C 26 S 0.000013 -0.000170 -0.000265 -0.000017 0.006104 327 C 26 S 0.000023 -0.000260 -0.000512 -0.000005 0.000129 328 C 26 S 0.000037 0.000500 0.001776 -0.000362 0.002477 329 C 26 X -0.000005 -0.000028 0.000120 -0.000005 -0.000006 330 C 26 Y 0.000004 0.000060 -0.000057 -0.000028 0.000049 331 C 26 Z 0.000006 -0.000097 -0.000038 -0.000012 0.000273 332 C 26 X 0.000133 0.000127 -0.001150 0.000075 -0.000153 333 C 26 Y 0.000038 -0.000303 0.000682 -0.000004 0.000255 334 C 26 Z -0.000020 0.000156 0.001078 0.000244 0.000740 335 C 26 XX -0.000002 -0.000097 0.000021 -0.000019 0.000117 336 C 26 YY 0.000002 0.000112 -0.000059 -0.000042 0.000084 337 C 26 ZZ 0.000001 -0.000015 0.000038 0.000061 -0.000201 338 C 26 XY 0.000007 -0.000038 -0.000086 -0.000029 0.000007 339 C 26 XZ 0.000015 -0.000004 -0.000139 -0.000017 -0.000042 340 C 26 YZ 0.000022 -0.000134 0.000106 0.000010 -0.000041 341 H 27 S 0.000020 -0.000060 -0.000225 0.000085 -0.000162 342 H 27 S 0.000074 -0.000187 -0.000192 0.000087 -0.000192 343 H 27 X -0.000022 -0.000014 0.000102 0.000033 -0.000019 344 H 27 Y 0.000004 0.000060 -0.000077 0.000021 -0.000022 345 H 27 Z 0.000016 -0.000071 -0.000053 -0.000006 0.000058 346 H 28 S 0.000030 -0.000064 -0.000264 -0.000050 -0.000121 347 H 28 S -0.000025 0.000282 -0.000075 0.000385 -0.000217 348 H 28 X -0.000005 -0.000022 0.000089 0.000008 0.000009 349 H 28 Y -0.000001 0.000056 -0.000044 -0.000054 0.000050 350 H 28 Z 0.000012 0.000016 -0.000016 0.000017 0.000091 351 H 29 S -0.000008 -0.000084 0.000028 0.000001 -0.000212 352 H 29 S -0.000076 -0.000300 0.000705 0.000026 -0.000065 353 H 29 X 0.000001 0.000004 0.000018 -0.000011 0.000037 354 H 29 Y -0.000005 0.000045 -0.000016 -0.000003 -0.000019 355 H 29 Z 0.000002 -0.000080 -0.000019 -0.000023 0.000017 356 C 30 S -0.000008 0.004646 -0.000149 0.000025 -0.000414 357 C 30 S -0.000015 -0.000002 -0.000158 0.000049 -0.000288 358 C 30 S -0.000084 0.002826 -0.000132 -0.000379 0.000397 359 C 30 X 0.000013 -0.000033 0.000042 -0.000004 0.000003 360 C 30 Y 0.000007 -0.000038 -0.000046 -0.000006 -0.000058 361 C 30 Z 0.000005 -0.000237 0.000084 0.000004 0.000116 362 C 30 X -0.000103 -0.000233 0.000308 -0.000109 0.000013 363 C 30 Y 0.000098 -0.000374 0.000164 0.000020 0.000311 364 C 30 Z 0.000018 -0.000929 -0.000500 0.000011 -0.000100 365 C 30 XX -0.000012 0.000113 0.000006 0.000004 -0.000116 366 C 30 YY -0.000004 0.000069 -0.000060 -0.000007 0.000127 367 C 30 ZZ 0.000016 -0.000181 0.000054 0.000003 -0.000011 368 C 30 XY -0.000018 -0.000047 -0.000006 0.000002 -0.000019 369 C 30 XZ -0.000020 0.000039 -0.000059 0.000013 0.000017 370 C 30 YZ -0.000014 -0.000047 0.000079 0.000029 -0.000155 371 H 31 S -0.000000 -0.000161 0.000147 0.000064 -0.000093 372 H 31 S 0.000058 -0.000216 0.000200 0.000055 0.000277 373 H 31 X 0.000000 0.000000 -0.000008 0.000006 -0.000001 374 H 31 Y -0.000005 -0.000047 0.000057 0.000019 -0.000069 375 H 31 Z 0.000001 -0.000080 -0.000012 -0.000014 -0.000003 376 H 32 S -0.000003 -0.000177 -0.000137 -0.000013 -0.000059 377 H 32 S -0.000104 -0.000170 0.000708 0.000007 -0.000226 378 H 32 X -0.000017 -0.000025 0.000022 0.000004 0.000004 379 H 32 Y -0.000002 0.000018 0.000014 -0.000018 -0.000057 380 H 32 Z -0.000005 -0.000052 -0.000060 0.000013 0.000080 381 H 33 S 0.000033 -0.000198 -0.000027 -0.000017 -0.000056 382 H 33 S 0.000046 0.000009 -0.000162 0.000171 -0.000289 383 H 33 X -0.000008 0.000008 0.000023 -0.000010 0.000011 384 H 33 Y -0.000018 0.000022 -0.000046 -0.000019 -0.000051 385 H 33 Z -0.000009 -0.000023 0.000052 0.000002 0.000077 386 H 34 S -0.000008 -0.000031 -0.000017 -0.000109 -0.000038 387 H 34 S -0.000003 -0.000030 0.000004 0.000467 -0.000012 388 H 34 X 0.000001 -0.000002 0.000017 -0.000053 0.000003 389 H 34 Y -0.000001 0.000002 -0.000010 -0.000066 0.000019 390 H 34 Z 0.000000 0.000003 0.000003 -0.000038 -0.000009 391 F 35 S 0.000034 0.000002 0.000001 0.000012 0.000008 392 F 35 S 0.000018 0.000002 0.000001 0.000022 0.000014 393 F 35 S -0.000362 -0.000023 -0.000001 -0.000086 -0.000053 394 F 35 X -0.000058 0.000001 -0.000004 0.000001 0.000000 395 F 35 Y -0.000003 -0.000004 -0.000001 0.000002 0.000003 396 F 35 Z 0.000018 0.000003 0.000001 0.000002 0.000000 397 F 35 X -0.000149 -0.000026 0.000003 -0.000023 -0.000020 398 F 35 Y 0.000116 0.000018 0.000006 -0.000012 -0.000016 399 F 35 Z -0.000065 -0.000007 0.000013 -0.000010 0.000013 400 F 35 XX 0.000015 -0.000003 -0.000003 -0.000001 -0.000001 401 F 35 YY -0.000005 0.000002 0.000003 0.000000 0.000002 402 F 35 ZZ -0.000010 0.000001 -0.000000 0.000000 -0.000001 403 F 35 XY -0.000015 0.000001 -0.000000 -0.000000 -0.000002 404 F 35 XZ -0.000015 0.000001 0.000004 -0.000001 0.000002 405 F 35 YZ -0.000017 0.000001 -0.000002 0.000000 -0.000000 406 F 36 S -0.000013 0.000004 -0.000010 -0.000005 0.000004 407 F 36 S -0.000072 0.000007 -0.000017 -0.000009 0.000008 408 F 36 S -0.000284 -0.000019 0.000084 0.000040 -0.000035 409 F 36 X -0.000018 -0.000001 -0.000002 0.000002 -0.000004 410 F 36 Y 0.000049 0.000002 -0.000001 0.000001 0.000001 411 F 36 Z -0.000075 0.000004 0.000002 0.000002 0.000002 412 F 36 X -0.000011 -0.000007 0.000025 -0.000004 0.000018 413 F 36 Y -0.000091 -0.000007 -0.000001 -0.000007 -0.000003 414 F 36 Z -0.000052 -0.000022 0.000041 -0.000002 -0.000008 415 F 36 XX -0.000014 0.000002 -0.000001 -0.000000 -0.000001 416 F 36 YY 0.000009 -0.000002 -0.000004 0.000001 -0.000001 417 F 36 ZZ 0.000005 -0.000000 0.000005 -0.000000 0.000002 418 F 36 XY -0.000037 -0.000000 -0.000001 -0.000000 -0.000001 419 F 36 XZ 0.000008 -0.000001 0.000001 0.000001 0.000001 420 F 36 YZ -0.000027 -0.000001 -0.000002 0.000000 0.000000 421 C 37 S -0.000024 -0.000010 0.000014 0.020156 0.013055 422 C 37 S -0.000041 -0.000039 0.000019 -0.000401 -0.000019 423 C 37 S 0.000016 -0.000291 -0.000208 0.003684 0.005083 424 C 37 X 0.000006 0.000028 0.000012 0.000024 -0.000128 425 C 37 Y -0.000003 0.000059 0.000015 -0.000041 -0.000174 426 C 37 Z -0.000011 0.000002 -0.000026 0.000004 -0.000031 427 C 37 X -0.000101 0.000045 -0.000030 -0.001100 -0.002612 428 C 37 Y -0.000180 0.000302 -0.000352 0.002375 -0.000891 429 C 37 Z -0.000081 -0.000039 -0.000079 0.000362 -0.000070 430 C 37 XX 0.000005 -0.000020 0.000163 -0.000302 -0.000046 431 C 37 YY -0.000002 0.000012 -0.000090 0.000134 0.000057 432 C 37 ZZ -0.000003 0.000009 -0.000074 0.000168 -0.000011 433 C 37 XY 0.000014 -0.000025 -0.000019 0.000136 -0.000218 434 C 37 XZ 0.000016 0.000051 -0.000017 -0.000022 -0.000082 435 C 37 YZ 0.000005 -0.000075 -0.000000 -0.000025 -0.000039 436 S 38 S -0.000006 -0.000007 -0.000026 -0.000042 -0.000031 437 S 38 S -0.000042 -0.000050 -0.000134 -0.000246 -0.000233 438 S 38 S -0.000049 -0.000062 -0.000198 -0.000301 -0.000290 439 S 38 S 0.000339 0.000076 0.001382 0.002595 0.000913 440 S 38 X -0.000005 0.000002 -0.000012 0.000081 -0.000013 441 S 38 Y -0.000009 0.000010 -0.000046 -0.000020 0.000037 442 S 38 Z 0.000004 0.000004 0.000002 0.000001 0.000008 443 S 38 X -0.000016 0.000009 -0.000048 0.000231 -0.000045 444 S 38 Y -0.000028 0.000029 -0.000108 -0.000059 0.000119 445 S 38 Z 0.000016 0.000018 0.000005 -0.000002 0.000029 446 S 38 X 0.000071 -0.000096 0.000050 0.000896 -0.000280 447 S 38 Y -0.000114 -0.000090 -0.000613 -0.000572 -0.000425 448 S 38 Z 0.000027 -0.000005 -0.000046 -0.000010 0.000043 449 S 38 XX -0.000006 0.000008 0.000096 -0.000123 0.000086 450 S 38 YY 0.000018 -0.000003 -0.000238 0.000053 -0.000022 451 S 38 ZZ -0.000012 -0.000005 0.000143 0.000071 -0.000064 452 S 38 XY 0.000005 0.000007 0.000094 0.000062 0.000120 453 S 38 XZ 0.000004 -0.000007 0.000025 -0.000010 -0.000021 454 S 38 YZ -0.000021 -0.000006 0.000000 -0.000002 0.000002 455 S 38 XX 0.000000 -0.000001 -0.000027 0.000053 -0.000010 456 S 38 YY -0.000002 -0.000001 0.000059 -0.000024 -0.000002 457 S 38 ZZ 0.000001 0.000001 -0.000032 -0.000028 0.000012 458 S 38 XY -0.000000 -0.000001 -0.000007 -0.000013 -0.000012 459 S 38 XZ -0.000001 0.000001 -0.000003 0.000003 0.000004 460 S 38 YZ 0.000003 0.000001 0.000001 0.000001 -0.000002 461 H 39 S 0.000001 0.000017 -0.000075 0.000204 -0.000068 462 H 39 S 0.000034 0.000000 -0.000043 0.000413 0.000498 463 H 39 X 0.000001 0.000001 0.000057 -0.000168 0.000074 464 H 39 Y 0.000010 0.000021 -0.000024 -0.000038 0.000113 465 H 39 Z 0.000003 -0.000016 0.000004 -0.000007 0.000015 16 17 18 19 20 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S 1.001446 -0.000208 -0.004214 0.000354 -0.034787 2 C 1 S 0.004278 -0.000007 -0.000133 0.000011 -0.000347 3 C 1 S -0.010750 -0.000137 0.000566 -0.000803 0.003695 4 C 1 X 0.000046 -0.000004 0.000040 0.000020 0.000087 5 C 1 Y 0.000318 -0.000003 0.000009 0.000000 -0.000018 6 C 1 Z 0.000035 -0.000005 0.000018 -0.000007 0.000002 7 C 1 X 0.001313 0.000034 -0.000547 0.000401 -0.002150 8 C 1 Y -0.000738 0.000108 -0.000127 -0.000002 0.000511 9 C 1 Z -0.000198 0.000032 -0.000034 -0.000024 0.000093 10 C 1 XX 0.000255 -0.000001 -0.000000 -0.000018 -0.000209 11 C 1 YY -0.000031 0.000007 0.000062 0.000014 -0.000135 12 C 1 ZZ -0.000224 -0.000006 -0.000061 0.000004 0.000343 13 C 1 XY -0.000416 -0.000007 -0.000062 -0.000010 0.000152 14 C 1 XZ -0.000046 -0.000002 -0.000012 0.000009 0.000059 15 C 1 YZ 0.000041 0.000005 0.000020 -0.000007 -0.000036 16 C 2 S 0.034246 0.000330 0.030428 -0.007068 1.001244 17 C 2 S -0.000318 -0.000034 -0.000098 -0.000118 0.004795 18 C 2 S 0.003206 -0.000203 0.000359 0.002342 -0.012491 19 C 2 X -0.000090 0.000008 0.000015 -0.000006 0.000189 20 C 2 Y 0.000009 -0.000003 -0.000110 0.000053 0.000129 21 C 2 Z 0.000027 0.000002 -0.000005 0.000016 -0.000024 22 C 2 X 0.002324 0.000277 -0.000801 0.000832 -0.002388 23 C 2 Y -0.000458 -0.000036 0.000836 0.000907 -0.002228 24 C 2 Z -0.000110 -0.000032 0.000137 0.000002 0.000053 25 C 2 XX -0.000179 -0.000009 0.000108 -0.000001 0.000287 26 C 2 YY -0.000038 0.000026 -0.000393 0.000168 0.000225 27 C 2 ZZ 0.000218 -0.000017 0.000285 -0.000167 -0.000512 28 C 2 XY -0.000214 0.000016 -0.000115 0.000040 0.000314 29 C 2 XZ 0.000014 0.000004 -0.000024 0.000006 -0.000028 30 C 2 YZ 0.000007 -0.000004 -0.000024 0.000024 0.000037 31 C 3 S 0.003049 0.013450 0.991153 -0.146339 -0.031514 32 C 3 S -0.000016 0.000178 0.005134 -0.000948 -0.000061 33 C 3 S -0.000388 -0.001303 -0.012996 0.004009 -0.001072 34 C 3 X -0.000014 -0.000015 -0.000017 0.000220 -0.000004 35 C 3 Y 0.000037 0.000002 0.000282 -0.000131 0.000049 36 C 3 Z 0.000018 -0.000021 0.000075 -0.000017 0.000008 37 C 3 X -0.000265 -0.001379 0.002334 -0.003971 0.003907 38 C 3 Y -0.000567 -0.001430 -0.001848 0.002664 -0.003988 39 C 3 Z -0.000305 -0.000078 -0.000141 -0.000005 -0.000198 40 C 3 XX 0.000043 0.000074 0.000113 -0.000194 -0.000174 41 C 3 YY 0.000010 -0.000031 0.000226 -0.000167 -0.000258 42 C 3 ZZ -0.000053 -0.000043 -0.000339 0.000361 0.000433 43 C 3 XY -0.000120 -0.000048 -0.000467 0.000139 0.000305 44 C 3 XZ -0.000054 0.000002 0.000041 -0.000065 -0.000020 45 C 3 YZ -0.000012 -0.000023 0.000052 -0.000008 -0.000036 46 C 4 S 0.000250 -0.000221 -0.012926 0.001709 0.000406 47 C 4 S -0.000040 -0.000277 0.000430 -0.000125 -0.000073 48 C 4 S -0.000305 0.001984 -0.000995 -0.000057 -0.000439 49 C 4 X -0.000023 0.000043 -0.000203 0.000005 -0.000002 50 C 4 Y 0.000036 -0.000042 -0.000205 -0.000009 -0.000000 51 C 4 Z -0.000041 -0.000045 -0.000055 -0.000002 -0.000052 52 C 4 X -0.000558 -0.001316 0.000058 -0.000105 -0.000393 53 C 4 Y -0.000659 -0.000039 0.000085 -0.001361 0.000370 54 C 4 Z 0.000407 -0.000791 -0.000664 -0.000399 0.000341 55 C 4 XX 0.000012 0.000063 0.000013 0.000115 0.000083 56 C 4 YY 0.000047 0.000021 -0.000063 0.000031 0.000014 57 C 4 ZZ -0.000059 -0.000084 0.000050 -0.000146 -0.000097 58 C 4 XY 0.000066 0.000042 -0.000149 0.000103 0.000032 59 C 4 XZ 0.000007 0.000008 -0.000031 0.000025 0.000024 60 C 4 YZ 0.000014 -0.000028 0.000002 0.000061 0.000014 61 S 5 S -0.000036 -0.000004 -0.000009 -0.000005 -0.000013 62 S 5 S -0.000205 -0.000028 -0.000064 -0.000035 -0.000097 63 S 5 S -0.000265 -0.000031 -0.000072 -0.000042 -0.000111 64 S 5 S 0.002071 0.000185 0.000255 -0.000113 0.000393 65 S 5 X -0.000040 0.000003 0.000003 0.000009 0.000008 66 S 5 Y -0.000064 -0.000000 0.000001 -0.000012 0.000015 67 S 5 Z 0.000005 0.000005 0.000009 -0.000003 0.000007 68 S 5 X -0.000109 0.000007 0.000001 0.000021 0.000015 69 S 5 Y -0.000176 0.000002 -0.000008 -0.000036 0.000041 70 S 5 Z 0.000015 0.000016 0.000032 -0.000012 0.000029 71 S 5 X -0.000809 -0.000058 -0.000090 0.000017 -0.000045 72 S 5 Y -0.000561 0.000150 -0.000131 0.000103 -0.000122 73 S 5 Z -0.000014 0.000049 -0.000001 -0.000034 -0.000020 74 S 5 XX -0.000021 -0.000010 0.000067 0.000000 0.000016 75 S 5 YY -0.000065 0.000026 -0.000003 0.000017 0.000061 76 S 5 ZZ 0.000086 -0.000016 -0.000064 -0.000018 -0.000077 77 S 5 XY -0.000104 -0.000010 0.000025 0.000011 0.000018 78 S 5 XZ 0.000031 -0.000011 -0.000018 0.000019 -0.000002 79 S 5 YZ -0.000001 0.000017 0.000003 -0.000003 0.000001 80 S 5 XX 0.000002 0.000001 -0.000010 -0.000001 -0.000004 81 S 5 YY 0.000026 -0.000003 0.000000 -0.000002 -0.000008 82 S 5 ZZ -0.000028 0.000003 0.000010 0.000003 0.000012 83 S 5 XY 0.000042 0.000001 -0.000004 -0.000000 -0.000005 84 S 5 XZ -0.000004 0.000001 0.000002 -0.000002 0.000000 85 S 5 YZ -0.000001 -0.000002 -0.000000 0.000001 0.000000 86 H 6 S 0.000132 0.000006 0.000078 -0.000047 -0.000552 87 H 6 S 0.000339 0.000020 0.000084 0.000264 0.000459 88 H 6 X 0.000038 -0.000009 0.000163 -0.000045 -0.000336 89 H 6 Y 0.000159 -0.000018 0.000031 -0.000069 -0.000391 90 H 6 Z 0.000013 -0.000000 -0.000012 0.000006 -0.000028 91 C 7 S 0.000046 -0.037447 0.000930 0.001884 -0.000030 92 C 7 S 0.000050 -0.000380 0.000154 0.000075 -0.000048 93 C 7 S -0.000529 0.002872 -0.001800 -0.000604 0.001213 94 C 7 X 0.000003 0.000222 0.000001 -0.000043 -0.000002 95 C 7 Y -0.000005 0.000149 -0.000016 -0.000025 -0.000018 96 C 7 Z 0.000006 0.000011 0.000014 0.000052 0.000013 97 C 7 X -0.000209 -0.002195 -0.000536 -0.001786 -0.000399 98 C 7 Y 0.000556 -0.001361 0.002055 0.000753 -0.000198 99 C 7 Z 0.000020 0.000234 0.000220 0.000130 0.000112 100 C 7 XX -0.000013 -0.000179 0.000041 0.000090 0.000014 101 C 7 YY -0.000009 -0.000100 -0.000039 0.000006 -0.000001 102 C 7 ZZ 0.000021 0.000279 -0.000001 -0.000096 -0.000013 103 C 7 XY 0.000008 -0.000082 0.000038 0.000099 0.000017 104 C 7 XZ 0.000007 0.000101 0.000026 -0.000053 -0.000006 105 C 7 YZ -0.000005 0.000019 -0.000047 -0.000020 -0.000007 106 C 8 S -0.000016 -0.000117 -0.000016 -0.000029 -0.000014 107 C 8 S -0.000051 -0.000055 -0.000048 -0.000066 -0.000028 108 C 8 S 0.000779 0.000628 0.000339 0.000753 0.000183 109 C 8 X -0.000002 0.000010 -0.000016 0.000016 0.000006 110 C 8 Y -0.000018 -0.000000 0.000009 -0.000003 -0.000000 111 C 8 Z 0.000004 0.000007 0.000000 0.000003 0.000006 112 C 8 X 0.000311 -0.000012 0.000263 -0.000066 -0.000061 113 C 8 Y -0.000437 -0.000766 -0.000119 -0.000718 -0.000237 114 C 8 Z -0.000072 -0.000094 0.000033 -0.000103 -0.000047 115 C 8 XX -0.000008 0.000011 0.000009 -0.000000 0.000001 116 C 8 YY 0.000028 0.000021 -0.000000 0.000023 0.000012 117 C 8 ZZ -0.000021 -0.000032 -0.000008 -0.000023 -0.000013 118 C 8 XY -0.000018 -0.000007 -0.000017 -0.000008 -0.000000 119 C 8 XZ 0.000000 -0.000005 0.000011 -0.000002 0.000001 120 C 8 YZ 0.000006 0.000001 0.000003 0.000010 0.000003 121 C 9 S -0.000428 0.005890 0.001404 0.000110 -0.000079 122 C 9 S -0.000083 -0.000041 -0.000261 -0.000207 -0.000050 123 C 9 S 0.000890 -0.000385 0.000564 0.001916 0.000271 124 C 9 X -0.000000 -0.000007 0.000060 0.000033 0.000004 125 C 9 Y -0.000007 0.000047 0.000138 0.000005 0.000016 126 C 9 Z 0.000007 0.000016 0.000067 0.000006 0.000015 127 C 9 X -0.000429 -0.000271 -0.002443 -0.000844 -0.000064 128 C 9 Y -0.000413 0.000902 -0.001375 0.000331 -0.000436 129 C 9 Z 0.000152 0.000193 0.000234 0.001080 -0.000335 130 C 9 XX -0.000003 0.000138 0.000055 0.000026 -0.000012 131 C 9 YY 0.000022 -0.000000 0.000019 0.000020 0.000041 132 C 9 ZZ -0.000020 -0.000138 -0.000075 -0.000046 -0.000029 133 C 9 XY -0.000034 -0.000040 0.000019 -0.000035 0.000005 134 C 9 XZ -0.000010 -0.000056 -0.000028 -0.000016 0.000002 135 C 9 YZ -0.000012 0.000049 -0.000095 -0.000021 -0.000007 136 C 10 S 0.000100 0.999483 -0.022868 -0.062531 -0.000117 137 C 10 S -0.000050 0.004970 -0.000336 -0.000375 -0.000031 138 C 10 S 0.000806 -0.012049 0.003702 0.002584 0.000175 139 C 10 X 0.000002 -0.000122 -0.000001 0.000006 0.000012 140 C 10 Y 0.000008 0.000041 0.000013 -0.000004 -0.000001 141 C 10 Z -0.000005 -0.000004 -0.000020 0.000002 0.000003 142 C 10 X 0.000213 -0.001958 0.000629 0.001058 -0.001327 143 C 10 Y -0.000494 0.001443 -0.002041 -0.003139 -0.000763 144 C 10 Z -0.000082 0.000245 -0.000186 -0.000083 0.000033 145 C 10 XX 0.000006 0.000445 0.000063 -0.000057 -0.000012 146 C 10 YY 0.000019 -0.000080 0.000032 -0.000262 0.000015 147 C 10 ZZ -0.000025 -0.000365 -0.000095 0.000319 -0.000003 148 C 10 XY -0.000000 0.000319 -0.000073 -0.000226 0.000014 149 C 10 XZ -0.000003 -0.000133 0.000028 0.000048 0.000019 150 C 10 YZ 0.000010 -0.000066 0.000003 -0.000024 0.000011 151 C 11 S 0.000365 0.064858 0.144711 0.989775 0.002408 152 C 11 S 0.000015 0.000135 0.000382 0.004996 -0.000084 153 C 11 S -0.000641 0.003077 0.001687 -0.013956 0.003754 154 C 11 X -0.000018 -0.000019 -0.000201 -0.000086 0.000070 155 C 11 Y 0.000023 0.000020 0.000087 0.000002 -0.000010 156 C 11 Z -0.000023 -0.000007 -0.000035 0.000036 0.000015 157 C 11 X 0.000238 0.000583 0.003613 -0.003025 0.004024 158 C 11 Y -0.000392 0.003023 -0.003437 -0.001188 -0.001518 159 C 11 Z 0.000172 -0.000146 0.000399 -0.000291 0.000288 160 C 11 XX -0.000014 -0.000011 -0.000166 0.000480 0.000228 161 C 11 YY -0.000009 -0.000209 -0.000072 -0.000073 -0.000063 162 C 11 ZZ 0.000023 0.000220 0.000238 -0.000407 -0.000165 163 C 11 XY -0.000008 0.000191 0.000021 -0.000248 -0.000072 164 C 11 XZ -0.000003 0.000044 0.000002 0.000019 0.000062 165 C 11 YZ 0.000001 0.000017 -0.000015 0.000003 -0.000014 166 C 12 S 0.000004 -0.002169 -0.000002 0.000055 -0.000008 167 C 12 S 0.000007 0.000163 -0.000093 -0.000179 -0.000017 168 C 12 S -0.000053 -0.000284 0.000374 0.001155 -0.000538 169 C 12 X -0.000000 0.000021 -0.000028 -0.000004 -0.000019 170 C 12 Y 0.000003 0.000059 0.000005 -0.000004 0.000006 171 C 12 Z 0.000002 -0.000027 0.000005 -0.000031 -0.000002 172 C 12 X 0.000051 -0.000518 0.000162 0.000514 -0.000103 173 C 12 Y 0.000137 0.000176 0.000098 0.000051 0.000035 174 C 12 Z 0.000038 0.000542 0.000108 0.000488 0.000182 175 C 12 XX -0.000001 -0.000293 -0.000017 0.000035 0.000010 176 C 12 YY 0.000003 0.000010 0.000041 0.000025 0.000009 177 C 12 ZZ -0.000001 0.000284 -0.000024 -0.000060 -0.000019 178 C 12 XY 0.000001 0.000300 -0.000009 -0.000016 0.000004 179 C 12 XZ 0.000002 0.000044 0.000015 -0.000040 -0.000001 180 C 12 YZ -0.000006 -0.000052 -0.000012 -0.000013 0.000000 181 C 13 S -0.000040 -0.000098 -0.000045 0.000035 -0.000018 182 C 13 S -0.000070 -0.000252 -0.000078 0.000000 -0.000034 183 C 13 S 0.000542 0.001191 -0.000004 -0.000216 -0.000146 184 C 13 X 0.000004 -0.000019 -0.000009 -0.000007 -0.000009 185 C 13 Y -0.000008 -0.000026 0.000008 0.000010 0.000014 186 C 13 Z 0.000001 0.000045 0.000002 0.000030 0.000004 187 C 13 X 0.000136 0.000825 0.000181 0.000108 0.000103 188 C 13 Y -0.000101 -0.000077 0.000176 0.000387 0.000245 189 C 13 Z 0.000085 -0.000829 -0.000144 -0.000562 -0.000144 190 C 13 XX 0.000005 0.000073 0.000057 0.000051 0.000028 191 C 13 YY 0.000004 -0.000104 -0.000033 -0.000066 -0.000018 192 C 13 ZZ -0.000009 0.000031 -0.000024 0.000015 -0.000010 193 C 13 XY -0.000014 0.000036 -0.000014 -0.000001 -0.000001 194 C 13 XZ 0.000003 0.000012 -0.000007 -0.000003 -0.000002 195 C 13 YZ -0.000011 -0.000014 0.000005 -0.000011 0.000001 196 C 14 S -0.000008 -0.000139 -0.000350 -0.002103 -0.000052 197 C 14 S -0.000017 -0.000024 -0.000121 0.000107 -0.000109 198 C 14 S 0.000021 0.000162 0.001218 0.000100 0.001483 199 C 14 X -0.000013 0.000003 0.000012 0.000019 -0.000009 200 C 14 Y 0.000015 -0.000001 0.000022 -0.000037 -0.000012 201 C 14 Z 0.000002 -0.000019 -0.000005 -0.000014 0.000009 202 C 14 X 0.000288 0.000272 -0.000004 -0.000616 0.000043 203 C 14 Y -0.000198 -0.000464 0.000753 -0.000186 0.000640 204 C 14 Z -0.000001 0.000631 0.000002 0.000122 -0.000051 205 C 14 XX -0.000010 0.000007 -0.000048 -0.000209 -0.000072 206 C 14 YY -0.000002 0.000031 0.000045 -0.000072 0.000026 207 C 14 ZZ 0.000013 -0.000039 0.000003 0.000281 0.000045 208 C 14 XY 0.000050 -0.000024 0.000048 -0.000346 0.000010 209 C 14 XZ -0.000013 -0.000011 -0.000030 -0.000031 -0.000006 210 C 14 YZ 0.000016 0.000049 0.000006 -0.000015 0.000012 211 F 15 S 0.000001 -0.000041 0.000010 0.000055 0.000009 212 F 15 S 0.000002 -0.000097 0.000019 0.000102 0.000017 213 F 15 S -0.000002 -0.000072 -0.000072 -0.000386 -0.000059 214 F 15 X -0.000000 -0.000093 0.000003 0.000015 0.000002 215 F 15 Y 0.000002 0.000044 0.000004 0.000020 0.000001 216 F 15 Z -0.000001 0.000055 -0.000003 -0.000000 0.000001 217 F 15 X 0.000006 0.000227 -0.000015 -0.000100 -0.000019 218 F 15 Y -0.000013 -0.000133 -0.000013 -0.000033 0.000004 219 F 15 Z -0.000000 -0.000024 0.000013 0.000066 -0.000003 220 F 15 XX 0.000000 0.000028 -0.000001 -0.000001 -0.000003 221 F 15 YY -0.000001 -0.000007 -0.000003 -0.000004 -0.000000 222 F 15 ZZ 0.000000 -0.000020 0.000004 0.000005 0.000003 223 F 15 XY -0.000000 -0.000012 0.000002 0.000007 0.000001 224 F 15 XZ -0.000000 0.000001 0.000000 -0.000001 -0.000000 225 F 15 YZ 0.000000 -0.000004 0.000001 0.000001 -0.000001 226 F 16 S -0.000000 -0.000034 0.000004 -0.000013 -0.000008 227 F 16 S -0.000000 -0.000074 0.000006 -0.000023 -0.000014 228 F 16 S -0.000008 0.000115 -0.000034 0.000069 0.000072 229 F 16 X -0.000001 -0.000064 -0.000006 -0.000008 -0.000002 230 F 16 Y 0.000002 0.000034 -0.000001 -0.000001 -0.000003 231 F 16 Z 0.000002 0.000018 -0.000001 0.000010 -0.000001 232 F 16 X 0.000001 0.000154 0.000030 0.000064 0.000020 233 F 16 Y -0.000010 -0.000107 0.000025 -0.000017 -0.000008 234 F 16 Z -0.000016 -0.000054 -0.000026 -0.000081 0.000003 235 F 16 XX 0.000001 0.000006 0.000007 0.000010 0.000001 236 F 16 YY 0.000000 -0.000005 -0.000003 0.000002 0.000001 237 F 16 ZZ -0.000001 -0.000001 -0.000004 -0.000012 -0.000001 238 F 16 XY 0.000000 -0.000003 -0.000001 -0.000005 -0.000000 239 F 16 XZ -0.000000 -0.000011 -0.000001 -0.000003 -0.000000 240 F 16 YZ 0.000001 -0.000019 0.000004 0.000006 0.000000 241 F 17 S 0.000016 -0.000012 0.000004 -0.000028 0.000012 242 F 17 S 0.000029 -0.000022 0.000005 -0.000066 0.000020 243 F 17 S -0.000113 0.000081 -0.000013 0.000017 -0.000056 244 F 17 X 0.000000 -0.000020 0.000000 -0.000068 0.000002 245 F 17 Y 0.000000 -0.000005 -0.000002 -0.000052 0.000001 246 F 17 Z -0.000000 0.000008 -0.000005 -0.000001 -0.000005 247 F 17 X -0.000023 0.000098 -0.000048 0.000169 -0.000032 248 F 17 Y -0.000021 0.000059 -0.000059 0.000105 -0.000050 249 F 17 Z -0.000030 -0.000069 -0.000001 -0.000008 -0.000002 250 F 17 XX 0.000003 0.000012 -0.000002 0.000009 0.000000 251 F 17 YY -0.000001 0.000002 -0.000000 -0.000014 -0.000005 252 F 17 ZZ -0.000002 -0.000015 0.000002 0.000006 0.000005 253 F 17 XY -0.000002 0.000009 0.000001 0.000006 0.000002 254 F 17 XZ -0.000001 -0.000001 -0.000004 -0.000010 -0.000003 255 F 17 YZ -0.000002 -0.000001 -0.000006 0.000012 -0.000006 256 F 18 S 0.000011 0.000031 0.000008 -0.000055 0.000005 257 F 18 S 0.000020 0.000057 0.000011 -0.000121 0.000009 258 F 18 S -0.000055 -0.000250 -0.000078 0.000031 -0.000050 259 F 18 X 0.000007 0.000010 -0.000008 -0.000090 0.000004 260 F 18 Y -0.000004 -0.000022 0.000004 -0.000067 0.000001 261 F 18 Z -0.000001 -0.000002 0.000003 0.000030 0.000004 262 F 18 X -0.000050 -0.000047 -0.000013 0.000225 -0.000014 263 F 18 Y 0.000022 0.000073 -0.000060 0.000155 -0.000042 264 F 18 Z 0.000023 0.000017 0.000031 0.000021 0.000027 265 F 18 XX -0.000000 0.000003 -0.000002 0.000022 0.000000 266 F 18 YY 0.000002 -0.000007 0.000004 -0.000008 0.000002 267 F 18 ZZ -0.000002 0.000005 -0.000002 -0.000013 -0.000002 268 F 18 XY 0.000001 -0.000002 0.000005 0.000014 0.000002 269 F 18 XZ 0.000003 -0.000004 -0.000000 0.000007 0.000003 270 F 18 YZ -0.000001 -0.000009 0.000005 0.000010 0.000007 271 C 19 S -0.000013 -0.000033 -0.000018 -0.000016 -0.000030 272 C 19 S -0.000012 -0.000031 -0.000022 -0.000022 -0.000015 273 C 19 S 0.000001 0.000338 -0.000034 0.000290 0.000137 274 C 19 X 0.000007 -0.000001 -0.000001 -0.000001 0.000000 275 C 19 Y 0.000009 0.000001 0.000011 0.000001 0.000001 276 C 19 Z -0.000000 0.000001 -0.000001 -0.000001 -0.000000 277 C 19 X -0.000068 -0.000153 -0.000008 -0.000115 -0.000043 278 C 19 Y 0.000035 -0.000099 -0.000027 -0.000082 -0.000045 279 C 19 Z 0.000026 -0.000022 0.000014 -0.000006 -0.000001 280 C 19 XX 0.000015 0.000009 0.000008 0.000006 0.000001 281 C 19 YY -0.000008 -0.000005 0.000003 -0.000002 -0.000000 282 C 19 ZZ -0.000007 -0.000004 -0.000011 -0.000003 -0.000001 283 C 19 XY -0.000001 0.000006 0.000004 0.000001 -0.000000 284 C 19 XZ -0.000001 -0.000000 0.000003 0.000000 -0.000001 285 C 19 YZ 0.000000 -0.000002 0.000008 -0.000001 -0.000000 286 H 20 S -0.000001 -0.000012 -0.000018 -0.000012 -0.000005 287 H 20 S 0.000035 0.000066 0.000062 0.000049 0.000014 288 H 20 X 0.000005 0.000000 -0.000005 0.000001 -0.000000 289 H 20 Y 0.000001 -0.000001 -0.000008 0.000000 -0.000001 290 H 20 Z -0.000002 0.000000 -0.000003 -0.000001 -0.000001 291 H 21 S 0.000010 -0.000011 0.000019 -0.000004 -0.000003 292 H 21 S -0.000003 -0.000005 -0.000001 -0.000003 -0.000000 293 H 21 X 0.000002 -0.000000 0.000001 0.000000 0.000000 294 H 21 Y -0.000006 -0.000002 0.000001 -0.000002 0.000000 295 H 21 Z -0.000001 -0.000002 0.000005 -0.000002 -0.000001 296 C 22 S 0.012441 -0.000011 -0.000073 -0.000026 -0.002417 297 C 22 S -0.000070 -0.000014 -0.000063 -0.000022 -0.000068 298 C 22 S 0.000895 0.000087 0.000075 0.000081 0.000386 299 C 22 X 0.000047 -0.000001 0.000017 0.000003 -0.000024 300 C 22 Y -0.000072 -0.000003 -0.000032 0.000001 0.000031 301 C 22 Z -0.000007 0.000001 -0.000005 -0.000001 -0.000002 302 C 22 X -0.000810 -0.000007 0.000043 -0.000098 0.000125 303 C 22 Y 0.000438 0.000062 0.000096 0.000022 0.000321 304 C 22 Z 0.000092 -0.000013 0.000055 0.000002 0.000064 305 C 22 XX 0.000121 -0.000000 0.000005 0.000006 0.000001 306 C 22 YY -0.000323 -0.000001 -0.000001 -0.000004 0.000116 307 C 22 ZZ 0.000202 0.000001 -0.000004 -0.000001 -0.000117 308 C 22 XY 0.000075 -0.000003 0.000018 -0.000010 -0.000010 309 C 22 XZ 0.000011 -0.000001 0.000002 0.000000 -0.000006 310 C 22 YZ -0.000027 -0.000001 0.000006 -0.000003 0.000016 311 H 23 S -0.000051 0.000002 -0.000013 -0.000012 -0.000033 312 H 23 S -0.000257 0.000023 0.000081 0.000003 0.000035 313 H 23 X 0.000060 0.000002 -0.000002 -0.000002 0.000006 314 H 23 Y 0.000013 0.000002 0.000000 0.000011 -0.000038 315 H 23 Z -0.000004 0.000002 -0.000004 0.000001 -0.000009 316 H 24 S -0.000112 -0.000005 -0.000014 -0.000006 0.000007 317 H 24 S 0.000464 0.000005 -0.000027 0.000015 0.000000 318 H 24 X -0.000024 -0.000001 0.000001 0.000006 -0.000030 319 H 24 Y 0.000088 -0.000004 -0.000003 -0.000002 0.000000 320 H 24 Z -0.000028 0.000001 -0.000002 -0.000003 -0.000010 321 H 25 S -0.000096 -0.000012 0.000006 -0.000004 0.000022 322 H 25 S 0.000452 0.000003 -0.000002 0.000006 0.000035 323 H 25 X -0.000019 -0.000000 -0.000004 0.000007 -0.000036 324 H 25 Y 0.000077 -0.000001 -0.000004 -0.000005 -0.000003 325 H 25 Z 0.000036 -0.000000 -0.000001 0.000002 0.000009 326 C 26 S 0.000024 -0.000044 -0.000117 -0.000026 0.000046 327 C 26 S 0.000036 -0.000070 -0.000089 -0.000007 0.000062 328 C 26 S -0.000232 0.000163 -0.000488 -0.000009 -0.000558 329 C 26 X 0.000010 0.000049 0.000035 0.000023 0.000002 330 C 26 Y -0.000003 0.000009 0.000048 -0.000001 0.000001 331 C 26 Z -0.000005 0.000000 -0.000087 -0.000022 -0.000009 332 C 26 X 0.000024 -0.000281 0.000472 0.000287 0.000168 333 C 26 Y 0.000066 0.000141 0.000106 0.000407 0.000113 334 C 26 Z -0.000066 0.000398 0.000371 0.000394 -0.000106 335 C 26 XX -0.000000 -0.000066 -0.000002 -0.000047 0.000002 336 C 26 YY 0.000005 -0.000006 -0.000055 -0.000015 -0.000006 337 C 26 ZZ -0.000005 0.000072 0.000058 0.000062 0.000004 338 C 26 XY -0.000004 0.000032 0.000026 -0.000036 -0.000019 339 C 26 XZ 0.000005 0.000029 0.000079 0.000026 -0.000012 340 C 26 YZ 0.000014 0.000005 0.000114 0.000033 0.000018 341 H 27 S -0.000009 -0.000126 -0.000114 -0.000010 0.000020 342 H 27 S 0.000103 0.000293 0.000903 0.000809 0.000303 343 H 27 X 0.000011 0.000034 0.000027 0.000032 0.000036 344 H 27 Y 0.000009 0.000016 -0.000013 0.000051 0.000035 345 H 27 Z -0.000003 0.000019 0.000075 0.000059 0.000006 346 H 28 S 0.000021 -0.000045 0.000160 0.000014 0.000044 347 H 28 S -0.000006 -0.000053 0.000120 -0.000112 -0.000010 348 H 28 X 0.000004 0.000044 0.000006 -0.000005 -0.000011 349 H 28 Y -0.000003 0.000000 -0.000061 -0.000010 -0.000013 350 H 28 Z 0.000010 -0.000045 0.000017 -0.000019 0.000008 351 H 29 S 0.000024 0.000127 0.000035 0.000054 0.000010 352 H 29 S -0.000011 0.000219 -0.000162 -0.000004 -0.000064 353 H 29 X -0.000002 -0.000040 -0.000006 -0.000021 0.000000 354 H 29 Y 0.000004 0.000028 0.000036 -0.000009 -0.000012 355 H 29 Z -0.000002 0.000012 -0.000035 0.000000 -0.000009 356 C 30 S 0.000000 -0.000080 -0.000560 -0.000038 -0.000057 357 C 30 S 0.000013 -0.000057 -0.000552 -0.000027 -0.000033 358 C 30 S -0.000462 -0.000199 0.001753 0.000177 -0.000385 359 C 30 X 0.000009 0.000042 0.000125 0.000039 0.000008 360 C 30 Y 0.000027 0.000006 0.000086 -0.000009 0.000034 361 C 30 Z 0.000019 0.000051 0.000042 -0.000016 0.000020 362 C 30 X -0.000033 0.000328 -0.001269 -0.000160 -0.000168 363 C 30 Y 0.000246 -0.000430 -0.000936 -0.000079 0.000003 364 C 30 Z -0.000289 -0.000506 -0.001005 -0.000367 -0.000285 365 C 30 XX -0.000011 -0.000061 0.000022 -0.000065 -0.000003 366 C 30 YY -0.000052 -0.000022 -0.000044 -0.000017 -0.000054 367 C 30 ZZ 0.000063 0.000083 0.000022 0.000082 0.000057 368 C 30 XY 0.000011 0.000020 0.000102 -0.000053 -0.000030 369 C 30 XZ -0.000007 -0.000041 0.000122 -0.000023 -0.000009 370 C 30 YZ -0.000002 0.000058 0.000133 -0.000015 0.000031 371 H 31 S -0.000027 0.000035 -0.000264 -0.000018 -0.000061 372 H 31 S 0.000575 -0.000118 -0.000102 -0.000037 0.000475 373 H 31 X 0.000004 0.000003 0.000111 0.000031 0.000003 374 H 31 Y 0.000067 0.000030 0.000077 -0.000002 0.000074 375 H 31 Z -0.000027 0.000025 0.000034 0.000042 -0.000023 376 H 32 S 0.000036 -0.000050 -0.000272 -0.000103 -0.000003 377 H 32 S -0.000022 0.001023 -0.000202 0.000319 -0.000034 378 H 32 X 0.000020 0.000033 0.000089 0.000023 0.000007 379 H 32 Y -0.000006 -0.000030 0.000097 -0.000028 0.000017 380 H 32 Z 0.000020 -0.000086 0.000035 -0.000028 0.000027 381 H 33 S 0.000056 0.000081 0.000044 0.000113 0.000084 382 H 33 S 0.000031 0.000040 0.000801 0.000158 0.000142 383 H 33 X -0.000013 -0.000027 0.000015 -0.000034 -0.000031 384 H 33 Y -0.000024 -0.000008 0.000009 -0.000044 -0.000019 385 H 33 Z 0.000006 0.000012 0.000029 -0.000017 0.000009 386 H 34 S 0.000000 -0.000007 0.000006 -0.000006 -0.000006 387 H 34 S -0.000016 -0.000001 -0.000020 -0.000006 -0.000001 388 H 34 X -0.000000 0.000001 -0.000002 -0.000001 -0.000001 389 H 34 Y -0.000005 -0.000004 0.000007 -0.000004 -0.000001 390 H 34 Z -0.000001 0.000000 -0.000002 0.000001 0.000000 391 F 35 S 0.000005 -0.000046 -0.000009 -0.000032 -0.000010 392 F 35 S 0.000009 -0.000087 -0.000019 -0.000059 -0.000019 393 F 35 S -0.000043 0.000315 0.000073 0.000220 0.000079 394 F 35 X 0.000002 0.000000 0.000001 -0.000004 0.000001 395 F 35 Y -0.000000 0.000007 -0.000001 -0.000004 0.000003 396 F 35 Z 0.000001 -0.000012 0.000003 -0.000012 0.000002 397 F 35 X -0.000027 0.000016 -0.000024 0.000061 -0.000003 398 F 35 Y 0.000004 -0.000015 -0.000003 -0.000007 -0.000021 399 F 35 Z -0.000000 0.000098 0.000004 0.000075 -0.000000 400 F 35 XX -0.000001 -0.000003 -0.000006 0.000001 -0.000003 401 F 35 YY 0.000001 0.000008 0.000004 0.000002 0.000002 402 F 35 ZZ -0.000000 -0.000004 0.000002 -0.000003 0.000001 403 F 35 XY -0.000001 -0.000001 -0.000001 -0.000002 -0.000001 404 F 35 XZ 0.000000 0.000016 0.000005 0.000010 0.000003 405 F 35 YZ -0.000000 -0.000001 0.000003 0.000004 0.000002 406 F 36 S 0.000005 0.000073 0.000011 0.000033 0.000008 407 F 36 S 0.000010 0.000130 0.000020 0.000059 0.000015 408 F 36 S -0.000041 -0.000637 -0.000088 -0.000279 -0.000068 409 F 36 X 0.000001 -0.000044 -0.000004 -0.000030 -0.000003 410 F 36 Y -0.000002 -0.000016 0.000005 0.000007 0.000003 411 F 36 Z 0.000002 -0.000018 -0.000001 -0.000011 -0.000000 412 F 36 X -0.000008 0.000051 -0.000005 0.000053 0.000001 413 F 36 Y 0.000014 0.000069 -0.000013 -0.000031 -0.000016 414 F 36 Z -0.000021 -0.000121 -0.000010 -0.000026 -0.000007 415 F 36 XX 0.000000 0.000004 0.000002 -0.000001 0.000001 416 F 36 YY 0.000000 -0.000002 -0.000005 -0.000001 -0.000003 417 F 36 ZZ -0.000000 -0.000002 0.000003 0.000001 0.000002 418 F 36 XY -0.000000 0.000005 0.000000 -0.000001 0.000001 419 F 36 XZ -0.000000 -0.000003 -0.000002 -0.000001 -0.000001 420 F 36 YZ 0.000000 0.000004 -0.000000 -0.000004 -0.000001 421 C 37 S -0.000007 0.000133 0.000068 0.000021 -0.000005 422 C 37 S -0.000001 -0.000016 -0.000072 0.000013 0.000018 423 C 37 S -0.000481 -0.000679 0.001420 -0.000839 -0.000057 424 C 37 X -0.000001 0.000007 -0.000014 0.000007 -0.000005 425 C 37 Y 0.000015 0.000001 -0.000019 0.000008 -0.000007 426 C 37 Z -0.000003 0.000007 0.000002 -0.000014 0.000009 427 C 37 X -0.000003 0.000301 -0.000561 0.000452 -0.000030 428 C 37 Y -0.000743 -0.000586 -0.000958 -0.000516 -0.000137 429 C 37 Z -0.000113 -0.000021 -0.000373 -0.000073 0.000009 430 C 37 XX 0.000005 0.000045 0.000035 0.000001 0.000012 431 C 37 YY -0.000015 -0.000025 0.000010 -0.000007 -0.000006 432 C 37 ZZ 0.000010 -0.000021 -0.000045 0.000006 -0.000006 433 C 37 XY 0.000030 0.000005 0.000013 0.000010 0.000009 434 C 37 XZ 0.000010 -0.000013 0.000010 0.000004 -0.000007 435 C 37 YZ -0.000009 -0.000017 0.000024 0.000000 -0.000013 436 S 38 S -0.000002 -0.000004 0.000003 0.000000 -0.000000 437 S 38 S -0.000014 -0.000033 0.000018 0.000002 -0.000003 438 S 38 S -0.000017 -0.000040 0.000017 -0.000001 -0.000007 439 S 38 S -0.000060 0.000296 -0.000603 -0.000254 -0.000063 440 S 38 X 0.000000 0.000008 0.000007 0.000004 0.000001 441 S 38 Y 0.000005 -0.000007 0.000022 0.000005 0.000005 442 S 38 Z 0.000000 -0.000003 0.000000 0.000001 -0.000000 443 S 38 X 0.000001 0.000031 0.000024 0.000013 0.000004 444 S 38 Y 0.000014 -0.000026 0.000068 0.000014 0.000018 445 S 38 Z 0.000003 -0.000012 0.000003 0.000004 -0.000006 446 S 38 X 0.000106 0.000182 0.000119 0.000097 -0.000005 447 S 38 Y 0.000115 -0.000064 0.000314 0.000148 0.000038 448 S 38 Z 0.000018 -0.000004 -0.000009 0.000007 -0.000009 449 S 38 XX 0.000008 -0.000030 0.000019 -0.000013 0.000001 450 S 38 YY -0.000004 0.000073 -0.000022 0.000005 -0.000006 451 S 38 ZZ -0.000004 -0.000043 0.000003 0.000008 0.000005 452 S 38 XY -0.000000 -0.000046 -0.000021 -0.000032 -0.000004 453 S 38 XZ 0.000003 -0.000002 -0.000008 -0.000001 -0.000001 454 S 38 YZ 0.000001 0.000009 0.000002 -0.000003 0.000004 455 S 38 XX -0.000001 0.000004 -0.000002 0.000001 -0.000000 456 S 38 YY 0.000000 -0.000011 0.000002 -0.000000 0.000000 457 S 38 ZZ 0.000001 0.000007 0.000000 -0.000001 -0.000000 458 S 38 XY 0.000000 0.000004 0.000002 0.000003 0.000000 459 S 38 XZ -0.000000 0.000001 0.000001 0.000000 0.000000 460 S 38 YZ -0.000000 -0.000001 -0.000000 0.000001 -0.000001 461 H 39 S -0.000029 -0.000056 -0.000044 -0.000022 -0.000001 462 H 39 S 0.000101 -0.000127 0.000028 -0.000162 0.000015 463 H 39 X -0.000015 0.000016 0.000026 -0.000005 0.000002 464 H 39 Y 0.000035 0.000018 0.000035 0.000017 0.000004 465 H 39 Z 0.000007 0.000001 0.000016 -0.000003 0.000001 21 22 23 24 25 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S -0.000011 -0.000007 -0.012653 0.000056 0.000011 2 C 1 S -0.000031 -0.000019 0.000050 0.000072 0.000032 3 C 1 S 0.000152 0.000635 0.001005 -0.000167 0.000156 4 C 1 X -0.000004 -0.000009 0.000022 0.000021 -0.000009 5 C 1 Y -0.000005 -0.000003 -0.000033 0.000012 0.000020 6 C 1 Z 0.000001 -0.000013 -0.000004 -0.000008 -0.000013 7 C 1 X 0.000073 -0.000483 0.001807 -0.000488 -0.000255 8 C 1 Y 0.000200 0.000054 -0.001648 -0.000522 -0.000240 9 C 1 Z -0.000002 0.000123 -0.000198 -0.000021 0.000079 10 C 1 XX -0.000002 0.000022 -0.000006 0.000023 0.000008 11 C 1 YY 0.000010 -0.000019 -0.000229 -0.000061 -0.000021 12 C 1 ZZ -0.000009 -0.000003 0.000234 0.000038 0.000013 13 C 1 XY 0.000008 0.000002 0.000237 0.000024 -0.000011 14 C 1 XZ 0.000000 -0.000009 0.000029 -0.000013 -0.000002 15 C 1 YZ 0.000000 0.000005 -0.000042 -0.000038 0.000022 16 C 2 S 0.000015 0.000038 0.001880 0.000028 0.000019 17 C 2 S -0.000012 0.000043 -0.000121 -0.000044 0.000050 18 C 2 S 0.000172 -0.000846 0.000496 0.000849 -0.000502 19 C 2 X 0.000002 0.000006 -0.000025 -0.000000 0.000014 20 C 2 Y 0.000001 -0.000008 0.000034 0.000004 0.000006 21 C 2 Z -0.000000 -0.000005 -0.000000 -0.000005 -0.000014 22 C 2 X -0.000085 -0.000821 0.001296 -0.000825 -0.000211 23 C 2 Y -0.000043 -0.000203 -0.001130 0.000685 -0.000048 24 C 2 Z 0.000013 -0.000058 -0.000128 -0.000155 0.000064 25 C 2 XX 0.000004 -0.000002 0.000129 0.000024 -0.000008 26 C 2 YY -0.000003 -0.000019 0.000000 -0.000006 -0.000003 27 C 2 ZZ -0.000000 0.000021 -0.000129 -0.000018 0.000011 28 C 2 XY -0.000007 -0.000013 0.000153 -0.000061 0.000016 29 C 2 XZ -0.000000 0.000011 -0.000013 0.000002 0.000014 30 C 2 YZ 0.000002 -0.000006 0.000003 -0.000043 0.000025 31 C 3 S -0.000037 -0.000127 -0.000130 -0.000091 0.000044 32 C 3 S -0.000073 -0.000056 -0.000096 -0.000497 -0.000088 33 C 3 S 0.000800 0.000486 0.000386 0.001771 -0.000048 34 C 3 X 0.000001 0.000000 -0.000004 -0.000053 -0.000030 35 C 3 Y -0.000006 0.000002 0.000024 -0.000073 -0.000046 36 C 3 Z 0.000005 -0.000002 -0.000001 -0.000060 0.000076 37 C 3 X 0.000045 0.001929 0.000038 0.001688 -0.000191 38 C 3 Y 0.000506 0.000201 -0.001730 0.002616 -0.000476 39 C 3 Z -0.000014 0.000334 -0.000060 0.000818 0.000041 40 C 3 XX 0.000017 -0.000008 -0.000039 0.000000 -0.000025 41 C 3 YY 0.000007 0.000041 0.000055 -0.000033 0.000001 42 C 3 ZZ -0.000024 -0.000032 -0.000017 0.000033 0.000024 43 C 3 XY 0.000011 0.000058 0.000012 0.000099 0.000004 44 C 3 XZ 0.000004 0.000028 -0.000005 0.000091 0.000065 45 C 3 YZ -0.000000 0.000018 0.000008 0.000102 0.000008 46 C 4 S 0.000026 0.000215 -0.000088 -0.004464 0.000001 47 C 4 S 0.000040 -0.000020 -0.000138 0.000562 -0.000238 48 C 4 S -0.000553 -0.001649 0.001030 -0.002320 0.000662 49 C 4 X -0.000007 -0.000041 -0.000025 0.000027 0.000004 50 C 4 Y -0.000006 -0.000113 0.000017 0.000111 0.000045 51 C 4 Z 0.000004 -0.000028 0.000013 0.000216 0.000140 52 C 4 X 0.000243 0.001333 -0.000235 0.001627 -0.000328 53 C 4 Y 0.000025 0.000813 -0.000134 -0.000007 0.000395 54 C 4 Z 0.000203 -0.000220 -0.000284 0.001559 -0.001715 55 C 4 XX -0.000017 -0.000026 0.000012 0.000080 -0.000082 56 C 4 YY -0.000002 0.000008 0.000010 0.000028 0.000080 57 C 4 ZZ 0.000019 0.000018 -0.000022 -0.000108 0.000002 58 C 4 XY -0.000030 0.000007 0.000004 -0.000077 0.000005 59 C 4 XZ 0.000000 -0.000008 0.000010 -0.000016 0.000038 60 C 4 YZ 0.000004 -0.000099 -0.000004 -0.000022 -0.000096 61 S 5 S 0.000004 0.000007 -0.000013 -0.000050 -0.000009 62 S 5 S 0.000024 0.000049 -0.000104 -0.000365 -0.000069 63 S 5 S 0.000026 0.000058 -0.000141 -0.000447 -0.000094 64 S 5 S -0.000175 -0.000199 0.000110 0.001010 0.000152 65 S 5 X -0.000003 0.000001 -0.000004 0.000019 0.000022 66 S 5 Y -0.000006 0.000005 0.000034 -0.000025 -0.000014 67 S 5 Z -0.000002 0.000004 0.000000 -0.000032 0.000018 68 S 5 X -0.000009 0.000002 -0.000018 0.000054 0.000078 69 S 5 Y -0.000023 0.000010 0.000113 -0.000080 -0.000052 70 S 5 Z -0.000006 0.000013 0.000002 -0.000099 0.000073 71 S 5 X 0.000079 0.000026 -0.000071 -0.000470 -0.000125 72 S 5 Y 0.000156 -0.000304 -0.000192 -0.000159 -0.000226 73 S 5 Z -0.000005 -0.000071 0.000019 0.000209 0.000075 74 S 5 XX 0.000008 0.000031 0.000044 -0.000003 -0.000017 75 S 5 YY -0.000015 -0.000035 -0.000001 -0.000021 -0.000011 76 S 5 ZZ 0.000006 0.000004 -0.000043 0.000024 0.000028 77 S 5 XY -0.000023 0.000013 0.000058 -0.000008 0.000055 78 S 5 XZ 0.000003 -0.000017 -0.000008 -0.000055 -0.000059 79 S 5 YZ -0.000001 -0.000028 0.000001 0.000044 0.000039 80 S 5 XX -0.000001 -0.000004 -0.000004 0.000001 0.000002 81 S 5 YY 0.000001 0.000004 -0.000004 0.000005 0.000001 82 S 5 ZZ -0.000001 -0.000000 0.000008 -0.000006 -0.000003 83 S 5 XY 0.000002 -0.000002 -0.000008 0.000004 -0.000004 84 S 5 XZ -0.000000 0.000002 0.000001 0.000010 0.000006 85 S 5 YZ -0.000000 0.000004 -0.000000 -0.000008 -0.000004 86 H 6 S -0.000017 -0.000030 -0.000181 -0.000010 -0.000003 87 H 6 S -0.000037 -0.000208 -0.000148 -0.000054 -0.000070 88 H 6 X 0.000003 0.000022 -0.000146 0.000037 0.000002 89 H 6 Y 0.000003 0.000005 0.000006 -0.000001 -0.000009 90 H 6 Z -0.000001 0.000007 0.000004 0.000015 -0.000004 91 C 7 S -0.000053 0.000236 -0.000014 -0.000032 -0.000190 92 C 7 S -0.000059 0.000028 -0.000022 -0.000177 -0.000520 93 C 7 S -0.000269 -0.000479 0.000403 0.000427 0.002415 94 C 7 X 0.000002 -0.000026 -0.000004 -0.000051 -0.000038 95 C 7 Y -0.000026 -0.000006 0.000003 0.000049 0.000050 96 C 7 Z 0.000001 -0.000014 0.000000 -0.000083 0.000058 97 C 7 X 0.000459 -0.000343 -0.000236 -0.000531 0.002277 98 C 7 Y 0.000642 0.000691 -0.000227 -0.000172 -0.001662 99 C 7 Z -0.000106 0.000224 0.000061 0.000003 -0.000979 100 C 7 XX 0.000011 0.000120 0.000011 -0.000022 0.000002 101 C 7 YY 0.000003 -0.000050 -0.000002 0.000004 -0.000049 102 C 7 ZZ -0.000014 -0.000069 -0.000008 0.000019 0.000047 103 C 7 XY -0.000005 0.000104 0.000008 -0.000024 -0.000120 104 C 7 XZ -0.000003 0.000020 -0.000001 -0.000075 -0.000111 105 C 7 YZ 0.000013 0.000000 -0.000003 -0.000028 0.000108 106 C 8 S -0.009067 -0.021180 -0.000010 0.000037 0.000095 107 C 8 S 0.000068 -0.000499 -0.000019 0.000069 0.000138 108 C 8 S 0.000782 0.004360 0.000273 -0.000608 -0.001862 109 C 8 X 0.000002 0.000019 -0.000001 -0.000010 -0.000041 110 C 8 Y 0.000036 0.000112 -0.000005 -0.000003 0.000027 111 C 8 Z 0.000006 -0.000003 -0.000001 0.000011 0.000011 112 C 8 X 0.000590 -0.000151 0.000127 -0.000099 0.000428 113 C 8 Y 0.002596 -0.003567 -0.000178 0.000456 0.001368 114 C 8 Z 0.000331 -0.000465 -0.000017 -0.000045 0.000283 115 C 8 XX 0.000025 -0.000095 -0.000000 0.000005 0.000019 116 C 8 YY -0.000256 -0.000169 0.000009 -0.000031 -0.000063 117 C 8 ZZ 0.000230 0.000264 -0.000008 0.000026 0.000044 118 C 8 XY -0.000242 -0.000043 -0.000006 0.000010 -0.000038 119 C 8 XZ -0.000034 -0.000026 -0.000002 0.000004 0.000002 120 C 8 YZ -0.000079 -0.000037 0.000002 0.000034 -0.000049 121 C 9 S 0.000077 -0.013088 0.000015 0.000043 -0.005783 122 C 9 S -0.000147 0.000240 0.000016 -0.000257 0.000657 123 C 9 S 0.000932 0.001449 -0.000309 0.000975 -0.003724 124 C 9 X -0.000021 0.000154 0.000002 -0.000007 0.000011 125 C 9 Y -0.000019 0.000149 0.000003 -0.000067 -0.000093 126 C 9 Z -0.000009 0.000051 -0.000007 -0.000145 -0.000231 127 C 9 X 0.000564 -0.000633 -0.000112 0.000079 0.000967 128 C 9 Y 0.000059 0.000846 0.000165 -0.000303 -0.001173 129 C 9 Z 0.000171 0.001236 -0.000082 0.002144 -0.001933 130 C 9 XX 0.000036 -0.000011 0.000003 -0.000102 0.000037 131 C 9 YY -0.000016 -0.000095 -0.000003 0.000071 0.000040 132 C 9 ZZ -0.000020 0.000106 -0.000000 0.000031 -0.000076 133 C 9 XY 0.000056 -0.000175 0.000008 -0.000025 0.000013 134 C 9 XZ 0.000009 -0.000045 -0.000002 0.000008 0.000012 135 C 9 YZ -0.000009 -0.000075 0.000007 -0.000091 -0.000025 136 C 10 S -0.000015 -0.000088 0.000002 0.000040 0.000091 137 C 10 S -0.000053 -0.000059 0.000003 -0.000026 0.000068 138 C 10 S 0.000689 0.000677 -0.000626 0.000301 -0.001268 139 C 10 X -0.000014 -0.000001 -0.000004 -0.000024 -0.000012 140 C 10 Y 0.000001 -0.000022 0.000008 0.000014 -0.000007 141 C 10 Z 0.000002 0.000013 -0.000000 -0.000044 0.000032 142 C 10 X 0.000828 -0.000228 -0.000390 0.000144 -0.000341 143 C 10 Y -0.000053 -0.000435 -0.000097 -0.001335 0.001838 144 C 10 Z -0.000105 -0.000108 0.000043 0.000086 0.000165 145 C 10 XX 0.000013 0.000022 -0.000007 -0.000082 -0.000014 146 C 10 YY -0.000002 -0.000033 0.000009 0.000065 -0.000002 147 C 10 ZZ -0.000010 0.000011 -0.000002 0.000017 0.000017 148 C 10 XY 0.000007 -0.000038 -0.000003 0.000024 0.000078 149 C 10 XZ -0.000006 0.000004 0.000005 -0.000020 0.000029 150 C 10 YZ -0.000000 0.000018 0.000003 -0.000016 -0.000002 151 C 11 S 0.000009 -0.000042 0.000018 0.000089 0.000017 152 C 11 S 0.000001 -0.000021 -0.000007 0.000026 -0.000046 153 C 11 S -0.000524 0.000695 0.000272 -0.001413 0.001393 154 C 11 X -0.000004 -0.000004 -0.000003 -0.000023 -0.000010 155 C 11 Y -0.000001 0.000004 -0.000013 -0.000004 -0.000007 156 C 11 Z 0.000001 -0.000008 -0.000002 -0.000044 0.000038 157 C 11 X -0.000451 0.000909 0.000923 -0.000220 0.000067 158 C 11 Y -0.000115 -0.000803 0.000531 -0.001513 0.001336 159 C 11 Z -0.000007 0.000058 0.000050 -0.000103 -0.000052 160 C 11 XX -0.000008 0.000010 0.000023 -0.000026 -0.000056 161 C 11 YY 0.000002 0.000014 -0.000024 0.000009 0.000065 162 C 11 ZZ 0.000005 -0.000024 0.000001 0.000016 -0.000010 163 C 11 XY -0.000009 -0.000033 -0.000013 -0.000075 -0.000050 164 C 11 XZ -0.000005 -0.000000 0.000004 -0.000020 0.000037 165 C 11 YZ 0.000001 0.000013 -0.000000 0.000008 -0.000007 166 C 12 S -0.000020 -0.000002 -0.000006 -0.000050 -0.000005 167 C 12 S -0.000036 -0.000008 -0.000011 -0.000085 -0.000007 168 C 12 S 0.000467 -0.000157 -0.000064 0.000593 -0.000234 169 C 12 X -0.000001 -0.000024 -0.000001 0.000018 -0.000006 170 C 12 Y -0.000006 0.000002 0.000001 -0.000003 -0.000018 171 C 12 Z -0.000001 -0.000002 0.000002 0.000010 -0.000006 172 C 12 X 0.000211 -0.000026 -0.000003 0.000387 0.000049 173 C 12 Y 0.000059 0.000038 0.000040 0.000181 -0.000021 174 C 12 Z -0.000014 0.000088 -0.000021 -0.000288 0.000144 175 C 12 XX -0.000000 -0.000012 0.000004 0.000034 0.000016 176 C 12 YY -0.000003 0.000011 0.000001 -0.000002 -0.000020 177 C 12 ZZ 0.000003 0.000002 -0.000005 -0.000032 0.000005 178 C 12 XY -0.000014 -0.000000 -0.000001 -0.000003 -0.000040 179 C 12 XZ -0.000002 0.000004 0.000003 0.000003 -0.000018 180 C 12 YZ -0.000011 -0.000001 -0.000001 -0.000006 -0.000008 181 C 13 S -0.000004 0.000004 -0.000020 0.000003 -0.000022 182 C 13 S -0.000005 0.000008 -0.000034 0.000001 -0.000034 183 C 13 S 0.000078 -0.000042 0.000315 -0.000094 0.000378 184 C 13 X 0.000004 0.000004 0.000006 -0.000002 0.000011 185 C 13 Y 0.000000 0.000003 -0.000006 -0.000004 0.000006 186 C 13 Z 0.000000 0.000001 0.000000 -0.000016 0.000011 187 C 13 X -0.000014 -0.000023 0.000036 -0.000152 0.000056 188 C 13 Y 0.000013 0.000067 -0.000128 -0.000004 0.000014 189 C 13 Z 0.000027 0.000019 0.000072 0.000262 -0.000021 190 C 13 XX 0.000005 0.000010 0.000008 0.000009 0.000014 191 C 13 YY -0.000000 0.000002 -0.000002 -0.000008 0.000006 192 C 13 ZZ -0.000004 -0.000012 -0.000006 -0.000002 -0.000020 193 C 13 XY 0.000005 -0.000000 -0.000014 -0.000005 0.000013 194 C 13 XZ -0.000000 -0.000005 0.000002 -0.000000 -0.000008 195 C 13 YZ 0.000004 0.000001 -0.000010 0.000000 0.000009 196 C 14 S -0.000009 -0.000025 -0.000024 -0.000032 -0.000007 197 C 14 S -0.000015 -0.000044 -0.000044 -0.000057 -0.000006 198 C 14 S -0.000102 0.000401 0.000604 0.000021 0.000188 199 C 14 X -0.000007 0.000000 -0.000002 -0.000000 0.000015 200 C 14 Y 0.000000 0.000008 0.000014 0.000007 0.000010 201 C 14 Z -0.000001 0.000002 0.000002 0.000015 -0.000002 202 C 14 X -0.000001 0.000047 0.000466 0.000063 0.000238 203 C 14 Y -0.000017 0.000137 -0.000206 0.000114 -0.000175 204 C 14 Z 0.000014 -0.000023 -0.000005 -0.000251 0.000161 205 C 14 XX 0.000004 -0.000011 -0.000001 0.000012 0.000031 206 C 14 YY 0.000000 0.000006 -0.000017 0.000009 -0.000020 207 C 14 ZZ -0.000004 0.000005 0.000018 -0.000021 -0.000011 208 C 14 XY 0.000004 0.000013 0.000031 0.000026 0.000004 209 C 14 XZ -0.000001 -0.000004 -0.000004 0.000021 -0.000001 210 C 14 YZ 0.000000 0.000004 0.000021 0.000026 -0.000005 211 F 15 S 0.000004 0.000005 -0.000000 -0.000013 0.000020 212 F 15 S 0.000007 0.000009 -0.000000 -0.000023 0.000038 213 F 15 S -0.000031 -0.000032 0.000005 0.000097 -0.000116 214 F 15 X 0.000001 -0.000002 -0.000000 0.000008 0.000007 215 F 15 Y 0.000004 0.000001 0.000000 0.000001 0.000001 216 F 15 Z -0.000001 -0.000001 -0.000001 -0.000002 0.000001 217 F 15 X -0.000009 0.000004 -0.000001 -0.000026 -0.000048 218 F 15 Y -0.000019 -0.000002 -0.000002 -0.000017 -0.000003 219 F 15 Z 0.000016 0.000006 0.000000 -0.000015 0.000021 220 F 15 XX 0.000002 -0.000000 -0.000000 -0.000000 -0.000002 221 F 15 YY -0.000000 -0.000000 -0.000000 -0.000002 0.000002 222 F 15 ZZ -0.000001 0.000001 0.000001 0.000002 -0.000000 223 F 15 XY -0.000001 0.000000 -0.000000 -0.000000 -0.000002 224 F 15 XZ 0.000001 0.000000 -0.000000 -0.000001 0.000003 225 F 15 YZ 0.000001 -0.000000 -0.000000 0.000002 -0.000000 226 F 16 S 0.000008 -0.000005 0.000002 0.000021 -0.000001 227 F 16 S 0.000015 -0.000009 0.000003 0.000039 -0.000002 228 F 16 S -0.000072 0.000029 -0.000015 -0.000171 0.000016 229 F 16 X -0.000003 -0.000002 0.000001 0.000001 0.000002 230 F 16 Y -0.000002 0.000000 0.000001 0.000001 -0.000001 231 F 16 Z 0.000001 0.000001 0.000000 -0.000004 0.000002 232 F 16 X -0.000005 0.000009 -0.000007 -0.000028 -0.000028 233 F 16 Y 0.000028 -0.000006 0.000000 0.000034 0.000003 234 F 16 Z -0.000020 -0.000010 -0.000003 0.000002 -0.000013 235 F 16 XX 0.000002 0.000000 0.000000 0.000002 -0.000000 236 F 16 YY -0.000002 0.000000 0.000000 -0.000001 0.000000 237 F 16 ZZ -0.000001 -0.000001 -0.000000 -0.000001 -0.000000 238 F 16 XY 0.000001 0.000001 0.000001 0.000001 0.000002 239 F 16 XZ -0.000001 -0.000000 -0.000000 -0.000001 -0.000001 240 F 16 YZ 0.000001 0.000001 0.000000 -0.000002 0.000001 241 F 17 S -0.000000 0.000004 0.000019 0.000019 -0.000007 242 F 17 S -0.000000 0.000007 0.000033 0.000034 -0.000013 243 F 17 S 0.000001 -0.000033 -0.000154 -0.000131 0.000034 244 F 17 X 0.000001 0.000001 -0.000005 0.000004 -0.000001 245 F 17 Y 0.000000 0.000001 0.000002 0.000003 -0.000003 246 F 17 Z 0.000000 -0.000001 0.000002 -0.000007 0.000005 247 F 17 X -0.000006 -0.000010 -0.000007 -0.000041 0.000009 248 F 17 Y -0.000000 -0.000023 -0.000037 -0.000060 0.000038 249 F 17 Z -0.000002 -0.000007 -0.000048 0.000010 -0.000022 250 F 17 XX -0.000000 0.000001 0.000004 0.000000 0.000002 251 F 17 YY 0.000000 -0.000001 -0.000002 -0.000003 0.000002 252 F 17 ZZ -0.000000 -0.000000 -0.000003 0.000003 -0.000004 253 F 17 XY -0.000001 -0.000001 -0.000001 -0.000003 0.000002 254 F 17 XZ -0.000000 -0.000000 -0.000001 -0.000001 0.000001 255 F 17 YZ 0.000000 -0.000002 -0.000002 -0.000003 0.000003 256 F 18 S 0.000003 0.000006 0.000009 -0.000016 0.000016 257 F 18 S 0.000006 0.000010 0.000017 -0.000029 0.000030 258 F 18 S -0.000018 -0.000037 -0.000065 0.000121 -0.000105 259 F 18 X 0.000001 0.000001 0.000004 0.000003 0.000002 260 F 18 Y 0.000000 0.000001 -0.000007 0.000002 -0.000001 261 F 18 Z -0.000000 -0.000000 -0.000003 -0.000003 -0.000000 262 F 18 X -0.000007 -0.000010 -0.000036 -0.000007 -0.000022 263 F 18 Y -0.000004 -0.000014 0.000034 0.000004 0.000002 264 F 18 Z 0.000003 0.000017 0.000036 -0.000020 0.000019 265 F 18 XX -0.000001 -0.000000 0.000002 -0.000004 0.000002 266 F 18 YY 0.000000 0.000001 0.000001 0.000001 -0.000002 267 F 18 ZZ 0.000001 -0.000001 -0.000003 0.000003 0.000000 268 F 18 XY -0.000000 0.000000 0.000002 0.000002 -0.000000 269 F 18 XZ 0.000000 0.000001 0.000003 -0.000001 0.000001 270 F 18 YZ -0.000000 0.000001 -0.000001 -0.000001 -0.000001 271 C 19 S 1.002289 0.013720 0.000011 0.000000 -0.000004 272 C 19 S 0.004946 -0.000056 -0.000007 0.000007 -0.000021 273 C 19 S -0.010355 0.001246 0.000014 -0.000071 -0.000383 274 C 19 X -0.000110 -0.000019 0.000002 -0.000004 -0.000011 275 C 19 Y -0.000093 -0.000042 0.000003 -0.000003 -0.000003 276 C 19 Z -0.000029 -0.000005 0.000001 -0.000008 -0.000003 277 C 19 X 0.000931 -0.000565 -0.000035 0.000082 0.000119 278 C 19 Y 0.000991 -0.000391 0.000009 0.000008 -0.000008 279 C 19 Z 0.000167 -0.000090 -0.000006 0.000072 0.000062 280 C 19 XX -0.000009 0.000051 0.000007 -0.000010 -0.000011 281 C 19 YY -0.000075 0.000050 -0.000003 0.000005 0.000029 282 C 19 ZZ 0.000084 -0.000101 -0.000003 0.000005 -0.000018 283 C 19 XY -0.000129 0.000044 0.000001 -0.000002 0.000024 284 C 19 XZ -0.000020 0.000016 0.000001 0.000002 0.000002 285 C 19 YZ -0.000029 0.000022 -0.000001 0.000004 0.000016 286 H 20 S 0.000158 -0.000058 -0.000001 0.000001 -0.000008 287 H 20 S 0.001012 0.000101 0.000017 -0.000044 0.000012 288 H 20 X 0.000373 0.000031 0.000002 -0.000001 -0.000014 289 H 20 Y -0.000121 0.000027 0.000000 -0.000002 -0.000008 290 H 20 Z 0.000002 0.000006 0.000001 -0.000008 -0.000006 291 H 21 S 0.000173 -0.000025 -0.000000 0.000013 0.000022 292 H 21 S 0.001227 0.000030 -0.000006 0.000007 0.000064 293 H 21 X -0.000112 0.000009 0.000000 0.000004 0.000001 294 H 21 Y 0.000226 -0.000023 -0.000002 0.000006 0.000000 295 H 21 Z -0.000321 -0.000007 -0.000000 -0.000002 0.000014 296 C 22 S -0.000020 0.000001 1.002343 -0.000005 0.000006 297 C 22 S -0.000011 0.000003 0.004933 -0.000028 0.000014 298 C 22 S 0.000072 0.000055 -0.010250 0.000018 -0.000115 299 C 22 X 0.000000 0.000001 -0.000025 -0.000008 -0.000001 300 C 22 Y -0.000002 0.000002 0.000111 0.000010 -0.000002 301 C 22 Z -0.000000 0.000003 -0.000001 -0.000000 0.000005 302 C 22 X -0.000038 0.000037 0.000377 0.000108 0.000099 303 C 22 Y 0.000031 0.000034 -0.001283 0.000127 -0.000011 304 C 22 Z 0.000006 -0.000045 -0.000094 0.000072 -0.000083 305 C 22 XX 0.000003 -0.000002 0.000045 -0.000011 -0.000006 306 C 22 YY -0.000005 0.000006 -0.000132 0.000032 0.000006 307 C 22 ZZ 0.000001 -0.000004 0.000088 -0.000021 -0.000000 308 C 22 XY -0.000005 0.000005 0.000104 -0.000010 0.000008 309 C 22 XZ -0.000001 -0.000002 0.000005 0.000005 -0.000009 310 C 22 YZ 0.000000 -0.000001 -0.000016 -0.000001 0.000002 311 H 23 S 0.000001 -0.000007 0.000149 -0.000001 0.000007 312 H 23 S 0.000008 0.000030 0.001001 0.000096 0.000034 313 H 23 X 0.000001 -0.000000 -0.000299 0.000002 0.000001 314 H 23 Y 0.000005 -0.000004 -0.000268 -0.000004 -0.000004 315 H 23 Z -0.000000 0.000005 -0.000004 -0.000004 0.000007 316 H 24 S -0.000006 0.000015 0.000172 -0.000009 0.000023 317 H 24 S 0.000010 -0.000006 0.001226 -0.000091 0.000001 318 H 24 X 0.000002 -0.000003 0.000235 0.000001 -0.000010 319 H 24 Y -0.000002 0.000001 -0.000007 -0.000004 -0.000002 320 H 24 Z -0.000001 0.000002 0.000330 0.000006 0.000002 321 H 25 S -0.000005 -0.000002 0.000162 -0.000002 -0.000011 322 H 25 S 0.000010 -0.000028 0.001212 0.000042 -0.000050 323 H 25 X 0.000002 -0.000001 0.000217 -0.000014 -0.000001 324 H 25 Y -0.000002 0.000006 0.000031 -0.000000 0.000005 325 H 25 Z 0.000000 -0.000001 -0.000349 0.000005 -0.000004 326 C 26 S -0.000005 -0.000765 0.000007 0.000211 1.002538 327 C 26 S -0.000005 -0.000531 0.000009 -0.000163 0.005139 328 C 26 S 0.000000 0.001687 -0.000001 0.001418 -0.009906 329 C 26 X -0.000004 -0.000088 0.000000 -0.000008 -0.000018 330 C 26 Y 0.000001 -0.000101 -0.000000 0.000009 0.000055 331 C 26 Z -0.000006 -0.000065 0.000005 0.000028 0.000139 332 C 26 X -0.000094 0.000923 0.000003 0.000116 0.000003 333 C 26 Y -0.000005 0.000991 -0.000028 0.000176 -0.000176 334 C 26 Z -0.000026 0.001013 -0.000010 0.000764 -0.001464 335 C 26 XX 0.000003 -0.000046 -0.000001 -0.000039 0.000146 336 C 26 YY -0.000002 0.000014 -0.000003 -0.000013 0.000129 337 C 26 ZZ -0.000001 0.000032 0.000004 0.000051 -0.000275 338 C 26 XY -0.000002 0.000106 0.000004 -0.000014 -0.000007 339 C 26 XZ -0.000020 0.000120 0.000002 0.000005 -0.000032 340 C 26 YZ -0.000010 0.000086 -0.000001 -0.000014 -0.000055 341 H 27 S 0.000004 0.000025 0.000006 -0.000056 0.000200 342 H 27 S -0.000030 0.000720 -0.000020 0.000162 0.001107 343 H 27 X 0.000001 -0.000006 -0.000002 0.000013 -0.000319 344 H 27 Y 0.000004 -0.000010 -0.000003 0.000009 -0.000264 345 H 27 Z 0.000006 -0.000030 0.000005 -0.000019 -0.000003 346 H 28 S 0.000012 -0.000270 0.000002 -0.000058 0.000197 347 H 28 S -0.000056 -0.000065 0.000006 0.000068 0.001002 348 H 28 X 0.000004 -0.000071 -0.000001 -0.000014 -0.000079 349 H 28 Y 0.000010 -0.000053 0.000000 0.000012 0.000401 350 H 28 Z -0.000004 -0.000026 0.000000 0.000016 -0.000123 351 H 29 S -0.000004 -0.000185 0.000006 -0.000081 0.000161 352 H 29 S 0.000062 -0.000122 -0.000009 0.000041 0.001028 353 H 29 X 0.000004 -0.000097 0.000002 -0.000007 0.000399 354 H 29 Y 0.000008 -0.000097 -0.000002 -0.000002 -0.000154 355 H 29 Z 0.000000 -0.000038 0.000005 -0.000015 -0.000052 356 C 30 S 0.000018 -0.000269 -0.000024 1.002521 -0.000401 357 C 30 S 0.000021 -0.000139 -0.000020 0.005102 -0.000165 358 C 30 S -0.000078 0.000178 0.000123 -0.009760 0.001260 359 C 30 X -0.000002 -0.000026 -0.000001 -0.000028 -0.000003 360 C 30 Y 0.000002 -0.000079 0.000000 -0.000021 -0.000008 361 C 30 Z -0.000002 0.000054 0.000002 -0.000139 -0.000023 362 C 30 X 0.000007 -0.000300 -0.000002 0.000095 0.000023 363 C 30 Y 0.000006 0.000487 -0.000021 0.000211 -0.000166 364 C 30 Z 0.000067 -0.000520 0.000003 0.001319 -0.000693 365 C 30 XX 0.000001 0.000030 0.000008 0.000134 -0.000044 366 C 30 YY 0.000003 -0.000052 -0.000005 0.000115 -0.000009 367 C 30 ZZ -0.000004 0.000022 -0.000003 -0.000250 0.000052 368 C 30 XY 0.000002 0.000012 0.000003 -0.000010 0.000003 369 C 30 XZ 0.000008 0.000049 0.000008 0.000020 0.000006 370 C 30 YZ -0.000001 0.000083 -0.000004 -0.000092 -0.000015 371 H 31 S -0.000000 0.000186 0.000007 0.000160 -0.000061 372 H 31 S -0.000008 0.000385 -0.000075 0.001038 0.000047 373 H 31 X -0.000002 0.000005 0.000002 0.000009 -0.000004 374 H 31 Y -0.000002 0.000061 -0.000011 -0.000407 -0.000014 375 H 31 Z -0.000002 -0.000035 0.000005 0.000143 -0.000009 376 H 32 S 0.000016 -0.000112 -0.000003 0.000228 -0.000059 377 H 32 S -0.000009 -0.000230 0.000001 0.001142 0.000119 378 H 32 X 0.000002 -0.000039 -0.000001 -0.000356 0.000013 379 H 32 Y 0.000001 -0.000062 -0.000003 0.000187 -0.000002 380 H 32 Z -0.000006 0.000067 -0.000002 0.000020 0.000021 381 H 33 S 0.000009 -0.000189 -0.000009 0.000148 -0.000064 382 H 33 S -0.000039 0.000385 0.000015 0.001060 0.000079 383 H 33 X 0.000007 -0.000009 0.000003 0.000353 -0.000009 384 H 33 Y 0.000007 0.000000 0.000001 0.000241 -0.000001 385 H 33 Z -0.000003 -0.000007 -0.000006 0.000021 0.000012 386 H 34 S 0.000176 -0.000014 0.000002 -0.000013 -0.000007 387 H 34 S 0.001213 0.000068 0.000001 -0.000021 -0.000049 388 H 34 X -0.000140 0.000007 0.000001 -0.000007 0.000004 389 H 34 Y 0.000151 -0.000034 -0.000003 0.000004 0.000027 390 H 34 Z 0.000346 0.000001 -0.000001 0.000001 -0.000002 391 F 35 S 0.000003 0.000004 0.000005 0.000008 0.000006 392 F 35 S 0.000005 0.000007 0.000008 0.000014 0.000010 393 F 35 S -0.000021 -0.000019 -0.000042 -0.000075 -0.000044 394 F 35 X -0.000000 0.000000 0.000000 -0.000002 -0.000000 395 F 35 Y -0.000001 0.000002 0.000000 -0.000003 0.000002 396 F 35 Z -0.000000 0.000002 0.000000 0.000003 -0.000000 397 F 35 X -0.000006 -0.000009 -0.000015 -0.000009 -0.000020 398 F 35 Y 0.000003 -0.000011 -0.000001 0.000012 -0.000013 399 F 35 Z 0.000004 -0.000005 0.000004 -0.000016 0.000014 400 F 35 XX -0.000001 -0.000001 -0.000001 -0.000001 -0.000002 401 F 35 YY 0.000001 0.000000 0.000001 0.000000 0.000002 402 F 35 ZZ -0.000000 0.000001 -0.000000 0.000001 -0.000001 403 F 35 XY 0.000000 -0.000001 -0.000001 0.000001 -0.000001 404 F 35 XZ 0.000001 0.000000 0.000001 -0.000001 0.000002 405 F 35 YZ 0.000000 0.000001 -0.000000 0.000001 0.000000 406 F 36 S -0.000000 -0.000004 0.000002 -0.000012 0.000004 407 F 36 S -0.000001 -0.000007 0.000004 -0.000022 0.000008 408 F 36 S 0.000005 0.000029 -0.000010 0.000119 -0.000042 409 F 36 X -0.000001 0.000001 -0.000000 0.000004 -0.000001 410 F 36 Y 0.000001 -0.000000 -0.000002 0.000001 -0.000000 411 F 36 Z 0.000001 -0.000001 0.000002 0.000004 -0.000002 412 F 36 X 0.000004 -0.000001 0.000000 -0.000011 0.000006 413 F 36 Y -0.000003 -0.000002 0.000013 -0.000007 -0.000001 414 F 36 Z -0.000001 0.000015 -0.000011 0.000012 0.000001 415 F 36 XX -0.000000 -0.000001 0.000000 0.000001 -0.000002 416 F 36 YY -0.000000 -0.000001 0.000000 -0.000001 -0.000000 417 F 36 ZZ 0.000000 0.000002 -0.000000 -0.000000 0.000002 418 F 36 XY 0.000000 0.000001 -0.000000 0.000000 0.000000 419 F 36 XZ 0.000000 0.000000 0.000000 -0.000001 0.000001 420 F 36 YZ -0.000000 -0.000000 0.000000 -0.000000 -0.000000 421 C 37 S -0.014064 1.002061 -0.000001 0.000151 0.000088 422 C 37 S -0.000226 0.004965 -0.000003 -0.000107 -0.000545 423 C 37 S 0.001610 -0.011877 -0.000187 0.000261 0.003540 424 C 37 X -0.000025 -0.000091 0.000001 0.000045 0.000042 425 C 37 Y -0.000035 -0.000139 0.000004 0.000057 0.000028 426 C 37 Z 0.000001 -0.000110 0.000002 -0.000077 0.000048 427 C 37 X -0.000055 0.002979 -0.000020 -0.000179 -0.001946 428 C 37 Y 0.001475 -0.001104 -0.000299 0.000554 0.000075 429 C 37 Z 0.000175 0.000021 -0.000020 -0.000054 -0.000416 430 C 37 XX 0.000147 0.000385 0.000004 -0.000046 -0.000009 431 C 37 YY -0.000019 0.000066 -0.000005 0.000016 0.000011 432 C 37 ZZ -0.000129 -0.000450 0.000001 0.000030 -0.000002 433 C 37 XY -0.000152 -0.000295 0.000010 -0.000012 0.000037 434 C 37 XZ -0.000013 -0.000014 -0.000003 0.000068 0.000062 435 C 37 YZ 0.000007 0.000113 -0.000004 0.000059 0.000091 436 S 38 S -0.000012 -0.000008 -0.000001 0.000000 -0.000012 437 S 38 S -0.000091 -0.000065 -0.000011 0.000003 -0.000088 438 S 38 S -0.000125 -0.000077 -0.000013 0.000008 -0.000101 439 S 38 S -0.000052 -0.000423 0.000112 0.000063 0.000845 440 S 38 X -0.000025 -0.000032 0.000000 0.000008 0.000007 441 S 38 Y -0.000016 0.000015 -0.000002 -0.000004 0.000002 442 S 38 Z -0.000003 -0.000002 -0.000000 0.000005 0.000002 443 S 38 X -0.000084 -0.000089 0.000001 0.000024 0.000016 444 S 38 Y -0.000060 0.000035 -0.000006 -0.000014 0.000007 445 S 38 Z -0.000010 -0.000011 -0.000001 0.000020 0.000015 446 S 38 X 0.000215 0.000074 0.000046 -0.000012 -0.000073 447 S 38 Y 0.000116 0.000362 -0.000006 -0.000078 -0.000386 448 S 38 Z 0.000013 0.000008 -0.000003 -0.000049 0.000153 449 S 38 XX 0.000056 0.000035 0.000001 -0.000000 0.000058 450 S 38 YY -0.000010 0.000025 0.000000 0.000000 -0.000020 451 S 38 ZZ -0.000046 -0.000061 -0.000002 -0.000000 -0.000038 452 S 38 XY -0.000046 0.000014 0.000001 -0.000020 0.000064 453 S 38 XZ -0.000004 0.000005 0.000002 -0.000012 -0.000009 454 S 38 YZ 0.000002 0.000038 0.000003 0.000022 -0.000084 455 S 38 XX -0.000010 -0.000008 -0.000000 0.000000 -0.000005 456 S 38 YY 0.000001 -0.000003 0.000000 -0.000000 0.000001 457 S 38 ZZ 0.000009 0.000011 0.000000 -0.000000 0.000004 458 S 38 XY 0.000004 0.000000 -0.000000 0.000002 -0.000007 459 S 38 XZ -0.000000 -0.000001 -0.000000 0.000002 0.000002 460 S 38 YZ -0.000001 -0.000005 -0.000000 -0.000003 0.000010 461 H 39 S -0.000193 -0.000462 -0.000012 0.000071 0.000001 462 H 39 S -0.000078 0.000352 0.000045 0.000023 0.000438 463 H 39 X 0.000068 0.000538 -0.000005 -0.000003 0.000046 464 H 39 Y -0.000114 -0.000115 0.000015 0.000005 0.000059 465 H 39 Z -0.000014 -0.000047 0.000002 -0.000036 0.000071 26 27 28 29 30 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S -0.000038 -0.000357 0.000012 -0.000002 -0.000000 2 C 1 S -0.000065 -0.000480 0.000021 -0.000003 -0.000000 3 C 1 S 0.000176 0.003494 -0.000209 -0.000004 -0.000027 4 C 1 X -0.000010 -0.000087 0.000003 0.000001 0.000001 5 C 1 Y -0.000020 -0.000150 -0.000000 -0.000003 -0.000001 6 C 1 Z -0.000010 0.000033 0.000000 0.000001 0.000002 7 C 1 X 0.000032 0.001834 0.000078 -0.000050 0.000011 8 C 1 Y 0.000580 0.005679 -0.000101 0.000045 0.000015 9 C 1 Z 0.000062 0.000055 -0.000004 -0.000001 0.000003 10 C 1 XX 0.000005 -0.000080 -0.000006 0.000003 -0.000001 11 C 1 YY 0.000020 -0.000215 -0.000000 0.000000 0.000001 12 C 1 ZZ -0.000025 0.000295 0.000007 -0.000003 -0.000000 13 C 1 XY 0.000003 -0.000503 0.000001 -0.000002 -0.000000 14 C 1 XZ -0.000003 0.000021 0.000001 0.000001 -0.000000 15 C 1 YZ 0.000003 0.000038 -0.000001 -0.000000 0.000001 16 C 2 S -0.000020 -0.000160 0.000000 0.000000 -0.000001 17 C 2 S -0.000039 -0.000299 0.000002 -0.000001 -0.000001 18 C 2 S -0.000357 -0.001583 0.000034 -0.000017 0.000021 19 C 2 X 0.000009 -0.000145 -0.000005 -0.000002 -0.000001 20 C 2 Y -0.000028 -0.000053 0.000001 -0.000002 0.000001 21 C 2 Z 0.000001 0.000049 -0.000000 0.000001 0.000003 22 C 2 X 0.000237 0.000489 0.000106 0.000006 0.000039 23 C 2 Y -0.000285 -0.002874 0.000004 0.000010 0.000004 24 C 2 Z -0.000023 -0.000207 -0.000016 0.000015 0.000002 25 C 2 XX -0.000005 0.000030 0.000005 -0.000001 -0.000000 26 C 2 YY 0.000008 0.000139 0.000001 -0.000001 0.000001 27 C 2 ZZ -0.000004 -0.000169 -0.000006 0.000001 -0.000000 28 C 2 XY 0.000024 -0.000198 -0.000007 0.000002 -0.000000 29 C 2 XZ 0.000010 -0.000024 -0.000004 -0.000000 0.000001 30 C 2 YZ 0.000002 0.000046 -0.000001 0.000002 0.000001 31 C 3 S -0.000069 -0.000099 0.000044 -0.000002 -0.000000 32 C 3 S -0.000120 -0.000194 0.000074 -0.000003 -0.000001 33 C 3 S 0.002435 -0.000457 -0.000766 0.000360 0.000013 34 C 3 X 0.000024 -0.000103 0.000003 0.000002 -0.000004 35 C 3 Y 0.000025 0.000046 0.000005 0.000003 -0.000002 36 C 3 Z -0.000014 0.000058 -0.000006 0.000002 0.000006 37 C 3 X -0.001638 0.001270 0.000532 -0.000154 -0.000108 38 C 3 Y -0.000223 -0.003295 -0.000243 0.000134 -0.000013 39 C 3 Z -0.000111 -0.000195 0.000030 -0.000059 0.000014 40 C 3 XX 0.000002 0.000139 -0.000008 -0.000003 -0.000000 41 C 3 YY 0.000014 -0.000036 -0.000010 0.000002 -0.000002 42 C 3 ZZ -0.000016 -0.000103 0.000018 0.000000 0.000002 43 C 3 XY -0.000036 -0.000089 0.000005 -0.000008 -0.000005 44 C 3 XZ -0.000004 -0.000056 -0.000008 -0.000005 -0.000002 45 C 3 YZ -0.000012 0.000039 0.000002 -0.000000 -0.000003 46 C 4 S -0.000133 -0.000005 -0.000012 -0.000004 -0.000014 47 C 4 S -0.000226 0.000147 -0.000021 -0.000008 -0.000024 48 C 4 S 0.001752 0.002786 -0.000124 -0.000173 0.000211 49 C 4 X -0.000010 0.000169 0.000012 0.000007 0.000005 50 C 4 Y -0.000036 -0.000211 -0.000025 -0.000014 0.000002 51 C 4 Z -0.000020 -0.000107 -0.000005 0.000001 -0.000003 52 C 4 X -0.000247 -0.000089 -0.000084 0.000006 -0.000101 53 C 4 Y 0.000433 -0.000742 0.000277 -0.000035 0.000049 54 C 4 Z -0.000051 -0.002907 0.000309 0.000207 -0.000123 55 C 4 XX -0.000024 -0.000043 0.000003 -0.000003 -0.000002 56 C 4 YY 0.000069 0.000002 0.000004 0.000008 0.000005 57 C 4 ZZ -0.000044 0.000040 -0.000008 -0.000005 -0.000003 58 C 4 XY 0.000009 0.000194 0.000003 0.000005 0.000002 59 C 4 XZ -0.000023 0.000076 -0.000012 -0.000009 0.000004 60 C 4 YZ -0.000031 -0.000140 0.000004 0.000010 -0.000011 61 S 5 S 0.000005 0.000575 -0.000006 0.000000 -0.000000 62 S 5 S 0.000034 1.007276 -0.000040 0.000003 -0.000003 63 S 5 S 0.000037 0.005827 -0.000045 0.000004 -0.000003 64 S 5 S -0.000280 -0.021889 0.000245 0.000017 0.000014 65 S 5 X 0.000001 -0.005456 -0.000007 -0.000002 0.000001 66 S 5 Y -0.000007 -0.001047 0.000002 0.000003 -0.000000 67 S 5 Z -0.000003 0.000851 0.000001 0.000000 0.000000 68 S 5 X 0.000002 -0.001782 -0.000013 -0.000006 0.000000 69 S 5 Y -0.000025 0.000028 0.000003 0.000009 0.000000 70 S 5 Z -0.000012 0.000336 0.000003 -0.000000 0.000003 71 S 5 X 0.000133 0.006063 -0.000114 -0.000005 -0.000003 72 S 5 Y 0.000277 0.001268 0.000030 -0.000022 0.000010 73 S 5 Z -0.000008 -0.000699 0.000005 -0.000010 0.000013 74 S 5 XX 0.000003 -0.000351 0.000011 0.000006 -0.000002 75 S 5 YY -0.000003 -0.000197 0.000001 -0.000004 0.000001 76 S 5 ZZ -0.000001 0.000548 -0.000012 -0.000002 0.000002 77 S 5 XY -0.000034 -0.000031 -0.000008 0.000000 -0.000001 78 S 5 XZ 0.000006 0.000123 -0.000002 0.000003 -0.000005 79 S 5 YZ -0.000014 -0.000023 -0.000002 0.000001 0.000003 80 S 5 XX -0.000000 0.000110 -0.000001 -0.000001 0.000000 81 S 5 YY -0.000001 0.000604 -0.000000 0.000000 -0.000000 82 S 5 ZZ 0.000001 -0.000714 0.000001 0.000000 -0.000000 83 S 5 XY 0.000004 -0.000079 0.000001 -0.000000 0.000000 84 S 5 XZ -0.000000 -0.000225 0.000000 -0.000000 0.000000 85 S 5 YZ 0.000002 0.000186 0.000000 -0.000000 -0.000000 86 H 6 S -0.000007 -0.000119 0.000012 0.000003 0.000003 87 H 6 S 0.000009 -0.000526 0.000033 0.000012 0.000010 88 H 6 X -0.000010 -0.000047 -0.000003 0.000000 -0.000001 89 H 6 Y -0.000000 0.000102 0.000004 0.000001 0.000000 90 H 6 Z 0.000002 0.000015 0.000001 -0.000001 0.000000 91 C 7 S -0.000053 -0.000206 0.000098 0.000106 0.000003 92 C 7 S 0.000047 -0.000343 -0.000203 -0.000151 0.000008 93 C 7 S -0.002362 0.003906 -0.000294 -0.001251 -0.000184 94 C 7 X 0.000043 0.000005 0.000023 -0.000063 -0.000001 95 C 7 Y -0.000128 0.000009 -0.000322 -0.000266 0.000007 96 C 7 Z -0.000046 -0.000013 -0.000010 0.000003 0.000059 97 C 7 X 0.001800 0.001481 -0.000208 0.001065 0.000071 98 C 7 Y 0.007318 -0.002330 0.001763 0.000959 -0.000007 99 C 7 Z 0.000351 -0.000446 0.000185 -0.000240 -0.000119 100 C 7 XX 0.000202 0.000088 0.000105 0.000146 -0.000008 101 C 7 YY -0.000694 0.000043 -0.000109 -0.000199 0.000002 102 C 7 ZZ 0.000492 -0.000131 0.000004 0.000053 0.000006 103 C 7 XY -0.000212 -0.000105 -0.000016 -0.000064 -0.000016 104 C 7 XZ 0.000070 -0.000081 -0.000019 -0.000021 0.000007 105 C 7 YZ -0.000016 0.000017 -0.000007 0.000010 0.000063 106 C 8 S -0.000252 -0.000025 -0.000040 0.000086 0.000003 107 C 8 S -0.000307 -0.000038 0.000182 -0.000154 0.000008 108 C 8 S 0.003445 0.000762 -0.000151 0.000040 0.000038 109 C 8 X 0.000084 0.000038 -0.000213 0.000264 -0.000008 110 C 8 Y -0.000069 -0.000047 0.000052 0.000013 -0.000003 111 C 8 Z -0.000056 0.000018 0.000002 0.000017 0.000049 112 C 8 X -0.004628 -0.000089 0.000556 -0.000138 0.000073 113 C 8 Y 0.000052 -0.000866 -0.000131 -0.000386 0.000004 114 C 8 Z 0.000058 -0.000212 -0.000015 -0.000088 -0.000059 115 C 8 XX -0.000548 -0.000014 0.000057 -0.000168 -0.000001 116 C 8 YY 0.000216 0.000057 -0.000093 0.000154 0.000001 117 C 8 ZZ 0.000332 -0.000043 0.000036 0.000014 0.000001 118 C 8 XY 0.000063 -0.000051 -0.000027 0.000037 -0.000004 119 C 8 XZ -0.000022 0.000002 -0.000001 -0.000003 -0.000036 120 C 8 YZ -0.000002 0.000008 -0.000017 0.000020 0.000002 121 C 9 S -0.000289 0.000072 -0.000007 -0.000009 -0.000007 122 C 9 S -0.000552 0.000073 -0.000015 -0.000025 -0.000015 123 C 9 S 0.002625 -0.003426 0.000152 0.000089 -0.000033 124 C 9 X 0.000022 -0.000139 0.000012 0.000034 0.000006 125 C 9 Y -0.000126 0.000168 0.000010 -0.000020 -0.000014 126 C 9 Z 0.000077 0.000035 0.000005 -0.000018 0.000004 127 C 9 X -0.001030 0.003424 -0.000801 -0.000005 0.000063 128 C 9 Y 0.001463 0.000624 -0.000643 -0.000508 0.000215 129 C 9 Z 0.000117 -0.000119 -0.000240 -0.000041 -0.000059 130 C 9 XX 0.000234 -0.000023 0.000034 0.000004 -0.000005 131 C 9 YY -0.000041 0.000007 -0.000052 -0.000033 0.000001 132 C 9 ZZ -0.000193 0.000016 0.000018 0.000029 0.000004 133 C 9 XY 0.000092 0.000083 0.000018 0.000064 0.000004 134 C 9 XZ -0.000079 0.000026 -0.000011 0.000001 -0.000005 135 C 9 YZ -0.000008 -0.000109 -0.000014 -0.000018 0.000015 136 C 10 S -0.000037 0.000052 -0.000025 -0.000056 0.000003 137 C 10 S -0.000069 0.000083 -0.000038 -0.000087 0.000007 138 C 10 S 0.001982 -0.002379 0.001330 0.001515 0.000074 139 C 10 X -0.000016 -0.000030 -0.000005 0.000002 0.000007 140 C 10 Y -0.000039 -0.000016 0.000034 0.000006 0.000006 141 C 10 Z -0.000011 0.000014 0.000005 -0.000004 0.000003 142 C 10 X 0.005917 -0.001156 0.000745 0.001272 0.000143 143 C 10 Y 0.001823 0.000962 -0.001438 0.000283 0.000071 144 C 10 Z -0.001061 0.000043 -0.000215 -0.000166 0.000056 145 C 10 XX 0.000415 -0.000023 0.000061 0.000083 0.000009 146 C 10 YY -0.000306 0.000010 -0.000052 -0.000051 0.000000 147 C 10 ZZ -0.000109 0.000013 -0.000008 -0.000032 -0.000010 148 C 10 XY -0.000006 0.000028 -0.000050 -0.000015 0.000010 149 C 10 XZ -0.000160 0.000010 -0.000016 -0.000018 0.000017 150 C 10 YZ -0.000023 0.000023 0.000009 0.000002 0.000006 151 C 11 S -0.000060 -0.000160 0.000039 0.000014 0.000004 152 C 11 S -0.000097 -0.000277 0.000066 0.000021 0.000007 153 C 11 S -0.000359 0.003296 -0.000843 -0.000399 -0.000058 154 C 11 X 0.000001 -0.000058 -0.000010 0.000001 0.000001 155 C 11 Y 0.000000 0.000038 -0.000016 -0.000005 0.000001 156 C 11 Z 0.000015 -0.000030 0.000001 -0.000002 0.000010 157 C 11 X -0.002304 0.002205 0.000642 -0.000479 -0.000097 158 C 11 Y 0.002194 0.001018 -0.001079 -0.000077 0.000037 159 C 11 Z 0.000040 0.000312 0.000047 0.000038 -0.000045 160 C 11 XX -0.000056 0.000051 0.000021 -0.000006 -0.000003 161 C 11 YY 0.000120 0.000001 -0.000032 -0.000001 -0.000000 162 C 11 ZZ -0.000064 -0.000052 0.000011 0.000007 0.000003 163 C 11 XY -0.000103 0.000023 -0.000038 -0.000035 0.000000 164 C 11 XZ -0.000030 0.000002 -0.000000 -0.000002 -0.000002 165 C 11 YZ 0.000041 0.000016 0.000003 0.000007 -0.000003 166 C 12 S -0.000137 -0.000037 -0.000040 -0.000031 -0.000005 167 C 12 S -0.000258 -0.000064 -0.000068 -0.000057 -0.000009 168 C 12 S 0.003325 -0.000272 0.000802 0.000570 0.000092 169 C 12 X -0.000057 -0.000008 0.000010 -0.000017 0.000001 170 C 12 Y -0.000023 -0.000008 0.000024 -0.000001 -0.000000 171 C 12 Z 0.000001 0.000009 -0.000005 0.000000 0.000001 172 C 12 X 0.001134 0.000212 0.000201 0.000141 0.000006 173 C 12 Y -0.000323 0.000153 -0.000206 -0.000040 -0.000016 174 C 12 Z -0.000003 -0.000011 0.000020 -0.000001 -0.000029 175 C 12 XX -0.000104 0.000025 -0.000002 -0.000019 -0.000000 176 C 12 YY 0.000009 0.000004 -0.000003 0.000009 0.000001 177 C 12 ZZ 0.000094 -0.000029 0.000005 0.000010 -0.000001 178 C 12 XY -0.000100 -0.000042 0.000061 0.000003 0.000002 179 C 12 XZ -0.000003 0.000008 -0.000005 0.000002 0.000002 180 C 12 YZ -0.000059 -0.000022 0.000017 -0.000009 -0.000003 181 C 13 S -0.000000 -0.000066 0.000032 0.000002 -0.000001 182 C 13 S 0.000005 -0.000112 0.000052 0.000004 -0.000001 183 C 13 S 0.000026 0.000736 -0.000555 -0.000071 -0.000010 184 C 13 X 0.000021 0.000001 -0.000004 0.000001 -0.000000 185 C 13 Y -0.000006 0.000001 -0.000013 -0.000002 -0.000001 186 C 13 Z 0.000001 -0.000006 -0.000004 -0.000000 0.000000 187 C 13 X -0.000136 0.000130 -0.000150 -0.000005 0.000007 188 C 13 Y 0.000030 -0.000020 0.000031 0.000015 -0.000027 189 C 13 Z 0.000017 0.000233 -0.000140 -0.000031 -0.000018 190 C 13 XX 0.000046 0.000020 0.000011 0.000011 0.000001 191 C 13 YY -0.000010 -0.000008 -0.000010 -0.000007 -0.000002 192 C 13 ZZ -0.000035 -0.000012 -0.000001 -0.000004 0.000000 193 C 13 XY 0.000045 -0.000003 -0.000013 0.000005 -0.000000 194 C 13 XZ -0.000006 0.000005 -0.000004 -0.000001 -0.000000 195 C 13 YZ 0.000020 -0.000008 -0.000011 -0.000000 0.000000 196 C 14 S -0.000047 -0.000041 -0.000016 -0.000009 0.000002 197 C 14 S -0.000078 -0.000077 -0.000024 -0.000014 0.000003 198 C 14 S -0.000143 0.000860 0.000495 -0.000072 -0.000047 199 C 14 X -0.000022 -0.000023 0.000015 0.000002 -0.000000 200 C 14 Y -0.000004 0.000003 0.000008 -0.000002 -0.000000 201 C 14 Z -0.000002 0.000012 -0.000001 -0.000001 -0.000001 202 C 14 X 0.000123 0.000585 -0.000067 -0.000064 -0.000005 203 C 14 Y -0.000217 -0.000243 0.000306 0.000056 -0.000001 204 C 14 Z 0.000043 -0.000210 -0.000043 0.000004 0.000037 205 C 14 XX 0.000054 -0.000024 -0.000006 0.000007 0.000001 206 C 14 YY -0.000016 0.000009 -0.000002 -0.000000 -0.000001 207 C 14 ZZ -0.000038 0.000015 0.000007 -0.000007 -0.000001 208 C 14 XY -0.000026 0.000023 0.000011 0.000001 0.000000 209 C 14 XZ 0.000004 -0.000001 -0.000003 -0.000001 0.000000 210 C 14 YZ -0.000005 0.000036 -0.000001 -0.000002 -0.000002 211 F 15 S 0.000029 0.000002 0.000001 0.000005 -0.000000 212 F 15 S 0.000052 0.000005 0.000001 0.000009 -0.000000 213 F 15 S -0.000256 0.000006 -0.000044 -0.000046 0.000002 214 F 15 X 0.000003 0.000008 -0.000003 -0.000001 0.000001 215 F 15 Y 0.000018 0.000005 -0.000004 0.000002 -0.000001 216 F 15 Z 0.000004 -0.000000 0.000002 -0.000001 -0.000000 217 F 15 X -0.000037 -0.000046 0.000005 0.000000 -0.000003 218 F 15 Y -0.000063 -0.000023 0.000034 -0.000009 0.000002 219 F 15 Z 0.000118 -0.000015 0.000015 0.000021 0.000000 220 F 15 XX 0.000013 -0.000003 0.000003 0.000001 -0.000000 221 F 15 YY 0.000001 -0.000001 -0.000001 -0.000000 0.000000 222 F 15 ZZ -0.000014 0.000004 -0.000002 -0.000001 0.000000 223 F 15 XY -0.000012 -0.000003 0.000002 -0.000001 0.000000 224 F 15 XZ 0.000006 0.000000 0.000000 0.000001 0.000000 225 F 15 YZ 0.000001 0.000001 -0.000002 0.000000 -0.000000 226 F 16 S 0.000051 0.000014 -0.000004 0.000002 0.000002 227 F 16 S 0.000090 0.000025 -0.000005 0.000003 0.000004 228 F 16 S -0.000377 -0.000098 0.000053 -0.000041 -0.000015 229 F 16 X -0.000008 0.000004 0.000014 -0.000004 -0.000000 230 F 16 Y -0.000007 0.000002 0.000009 -0.000004 0.000000 231 F 16 Z 0.000002 -0.000002 0.000000 0.000001 -0.000001 232 F 16 X -0.000106 -0.000055 -0.000027 0.000011 -0.000002 233 F 16 Y 0.000147 0.000024 -0.000046 0.000035 0.000005 234 F 16 Z -0.000084 -0.000009 0.000011 -0.000016 0.000003 235 F 16 XX 0.000007 0.000002 -0.000002 0.000003 0.000000 236 F 16 YY -0.000011 -0.000002 0.000002 -0.000002 -0.000000 237 F 16 ZZ 0.000004 0.000000 -0.000000 -0.000001 0.000000 238 F 16 XY 0.000007 0.000004 -0.000003 0.000002 0.000000 239 F 16 XZ -0.000006 -0.000002 -0.000001 -0.000001 -0.000000 240 F 16 YZ 0.000007 0.000002 -0.000003 0.000001 -0.000000 241 F 17 S -0.000004 0.000030 0.000005 -0.000002 -0.000002 242 F 17 S -0.000008 0.000054 0.000009 -0.000003 -0.000003 243 F 17 S 0.000006 -0.000244 -0.000022 0.000016 0.000018 244 F 17 X -0.000005 -0.000003 0.000002 -0.000000 0.000001 245 F 17 Y -0.000002 0.000002 0.000004 0.000002 0.000001 246 F 17 Z 0.000004 -0.000001 -0.000002 -0.000001 0.000000 247 F 17 X 0.000017 -0.000014 -0.000010 -0.000000 0.000001 248 F 17 Y 0.000026 -0.000063 -0.000039 -0.000006 0.000004 249 F 17 Z -0.000013 -0.000054 0.000009 0.000007 0.000001 250 F 17 XX 0.000001 0.000006 -0.000001 -0.000000 -0.000000 251 F 17 YY 0.000002 -0.000003 -0.000002 -0.000000 0.000000 252 F 17 ZZ -0.000003 -0.000003 0.000003 0.000001 -0.000000 253 F 17 XY -0.000001 -0.000001 -0.000000 -0.000000 -0.000000 254 F 17 XZ 0.000000 -0.000002 -0.000000 0.000000 0.000000 255 F 17 YZ 0.000004 -0.000004 -0.000002 0.000000 0.000000 256 F 18 S 0.000013 -0.000005 0.000000 0.000002 0.000001 257 F 18 S 0.000025 -0.000009 -0.000000 0.000004 0.000002 258 F 18 S -0.000072 0.000040 -0.000013 -0.000012 -0.000012 259 F 18 X 0.000004 0.000006 0.000000 0.000001 -0.000001 260 F 18 Y 0.000001 -0.000004 0.000002 0.000001 -0.000001 261 F 18 Z -0.000003 -0.000004 0.000002 0.000000 0.000001 262 F 18 X -0.000029 -0.000031 -0.000003 -0.000005 -0.000000 263 F 18 Y -0.000005 0.000043 -0.000023 -0.000012 -0.000002 264 F 18 Z 0.000006 0.000024 0.000008 -0.000001 0.000001 265 F 18 XX -0.000001 0.000001 0.000000 -0.000001 0.000000 266 F 18 YY -0.000003 0.000001 0.000001 0.000000 -0.000000 267 F 18 ZZ 0.000004 -0.000002 -0.000001 0.000001 0.000000 268 F 18 XY -0.000002 0.000002 -0.000000 -0.000001 0.000000 269 F 18 XZ -0.000001 0.000003 0.000000 -0.000000 -0.000000 270 F 18 YZ -0.000003 -0.000002 0.000002 0.000001 0.000000 271 C 19 S -0.000124 -0.000014 -0.000026 -0.000017 0.000003 272 C 19 S -0.000249 -0.000025 -0.000045 -0.000026 0.000005 273 C 19 S 0.000771 0.000364 -0.000007 0.000291 -0.000037 274 C 19 X 0.000145 0.000010 0.000008 0.000008 0.000000 275 C 19 Y 0.000035 -0.000009 -0.000020 0.000008 -0.000001 276 C 19 Z 0.000016 -0.000003 -0.000004 -0.000000 -0.000003 277 C 19 X 0.000050 -0.000281 -0.000340 -0.000017 -0.000005 278 C 19 Y -0.000991 -0.000019 -0.000019 -0.000094 0.000018 279 C 19 Z -0.000305 0.000043 0.000011 0.000024 0.000036 280 C 19 XX -0.000083 0.000005 0.000068 -0.000026 0.000001 281 C 19 YY 0.000186 -0.000009 -0.000033 0.000021 0.000001 282 C 19 ZZ -0.000103 0.000003 -0.000035 0.000005 -0.000003 283 C 19 XY -0.000115 0.000008 0.000064 -0.000044 0.000002 284 C 19 XZ 0.000001 -0.000005 0.000011 -0.000008 0.000001 285 C 19 YZ 0.000046 -0.000001 0.000004 0.000000 -0.000011 286 H 20 S 0.000014 0.000023 0.000022 -0.000024 0.000003 287 H 20 S -0.000004 0.000088 0.000146 -0.000021 0.000001 288 H 20 X -0.000035 0.000002 0.000011 0.000003 0.000001 289 H 20 Y 0.000019 0.000010 -0.000001 0.000013 0.000002 290 H 20 Z 0.000016 -0.000004 -0.000002 -0.000001 -0.000004 291 H 21 S -0.000095 -0.000017 -0.000014 -0.000006 0.000002 292 H 21 S 0.000258 -0.000005 0.000064 0.000019 0.000006 293 H 21 X 0.000061 0.000009 0.000015 -0.000004 0.000002 294 H 21 Y 0.000017 -0.000011 -0.000021 -0.000004 0.000000 295 H 21 Z 0.000038 -0.000010 0.000015 -0.000009 -0.000004 296 C 22 S -0.000013 -0.000188 -0.000000 -0.000002 -0.000000 297 C 22 S -0.000023 -0.000360 -0.000000 -0.000003 -0.000001 298 C 22 S 0.000303 0.002114 -0.000029 0.000048 0.000012 299 C 22 X -0.000004 -0.000053 -0.000001 -0.000000 -0.000000 300 C 22 Y 0.000001 -0.000129 0.000001 0.000001 0.000000 301 C 22 Z 0.000002 -0.000013 0.000000 -0.000000 0.000000 302 C 22 X -0.000071 -0.001137 0.000004 -0.000006 -0.000004 303 C 22 Y 0.000111 0.000972 -0.000009 0.000016 0.000003 304 C 22 Z -0.000024 0.000193 -0.000001 0.000003 -0.000002 305 C 22 XX 0.000003 0.000200 -0.000001 -0.000000 0.000000 306 C 22 YY -0.000009 -0.000101 0.000001 0.000001 -0.000000 307 C 22 ZZ 0.000005 -0.000099 -0.000000 -0.000000 0.000000 308 C 22 XY -0.000007 -0.000086 -0.000001 0.000000 -0.000000 309 C 22 XZ -0.000002 -0.000033 0.000000 0.000000 -0.000001 310 C 22 YZ -0.000002 0.000015 -0.000000 0.000000 0.000000 311 H 23 S 0.000001 -0.000030 0.000001 -0.000002 -0.000000 312 H 23 S 0.000001 -0.000016 -0.000009 -0.000002 -0.000002 313 H 23 X 0.000002 0.000034 0.000000 -0.000000 -0.000000 314 H 23 Y 0.000004 0.000016 -0.000001 -0.000001 0.000000 315 H 23 Z 0.000003 -0.000013 -0.000000 -0.000000 0.000000 316 H 24 S -0.000011 -0.000155 -0.000002 -0.000002 -0.000000 317 H 24 S 0.000022 0.000386 0.000002 0.000001 -0.000001 318 H 24 X -0.000000 -0.000021 -0.000000 -0.000000 0.000000 319 H 24 Y -0.000003 -0.000058 -0.000001 0.000001 -0.000000 320 H 24 Z 0.000002 -0.000039 -0.000000 0.000000 0.000000 321 H 25 S -0.000025 -0.000130 -0.000001 -0.000001 -0.000001 322 H 25 S 0.000002 0.000416 0.000002 -0.000002 0.000002 323 H 25 X 0.000003 -0.000022 -0.000000 -0.000000 0.000000 324 H 25 Y -0.000001 -0.000063 -0.000001 0.000000 0.000000 325 H 25 Z -0.000002 0.000018 0.000000 -0.000000 -0.000000 326 C 26 S -0.000039 -0.000081 0.000010 0.000017 0.000011 327 C 26 S -0.000089 -0.000176 0.000017 0.000035 0.000019 328 C 26 S -0.000764 0.000014 -0.000226 -0.000085 -0.000073 329 C 26 X 0.000029 -0.000096 0.000000 -0.000008 -0.000005 330 C 26 Y -0.000074 0.000145 0.000004 0.000011 -0.000001 331 C 26 Z -0.000074 -0.000077 -0.000012 0.000006 -0.000002 332 C 26 X -0.000141 -0.000460 0.000104 0.000069 0.000029 333 C 26 Y -0.000530 -0.001230 0.000035 0.000036 -0.000046 334 C 26 Z 0.000929 0.001133 -0.000138 -0.000160 -0.000024 335 C 26 XX -0.000006 0.000023 0.000026 0.000021 0.000002 336 C 26 YY -0.000139 -0.000101 -0.000006 0.000006 -0.000001 337 C 26 ZZ 0.000145 0.000078 -0.000020 -0.000026 -0.000000 338 C 26 XY 0.000061 0.000063 -0.000014 0.000006 0.000002 339 C 26 XZ 0.000017 -0.000144 0.000003 0.000005 -0.000001 340 C 26 YZ 0.000019 0.000123 0.000019 0.000011 -0.000010 341 H 27 S 0.000033 -0.000229 0.000013 0.000000 0.000014 342 H 27 S -0.000135 -0.000471 0.000042 0.000033 0.000004 343 H 27 X 0.000021 -0.000099 -0.000003 -0.000011 -0.000001 344 H 27 Y 0.000003 0.000110 0.000004 0.000000 0.000005 345 H 27 Z -0.000057 -0.000109 -0.000006 0.000006 0.000004 346 H 28 S -0.000102 0.000412 0.000024 0.000028 0.000000 347 H 28 S 0.001531 0.000789 -0.000040 -0.000129 0.000011 348 H 28 X 0.000039 0.000041 0.000002 0.000001 0.000000 349 H 28 Y -0.000165 -0.000122 -0.000007 -0.000001 -0.000006 350 H 28 Z 0.000079 0.000047 0.000001 -0.000007 -0.000008 351 H 29 S 0.000152 -0.000378 -0.000012 -0.000019 0.000000 352 H 29 S 0.000225 0.001115 -0.000048 -0.000050 -0.000011 353 H 29 X -0.000056 -0.000051 0.000010 0.000007 -0.000001 354 H 29 Y 0.000041 0.000014 -0.000006 -0.000005 0.000002 355 H 29 Z -0.000014 0.000035 0.000002 -0.000001 0.000001 356 C 30 S 0.000047 -0.000483 0.000001 -0.000003 -0.000005 357 C 30 S 0.000080 -0.000891 0.000002 -0.000005 -0.000011 358 C 30 S -0.000733 0.002821 -0.000151 -0.000031 0.000039 359 C 30 X 0.000003 -0.000222 0.000001 -0.000002 0.000001 360 C 30 Y -0.000005 0.000169 0.000000 0.000002 -0.000002 361 C 30 Z 0.000019 0.000141 0.000007 0.000002 0.000004 362 C 30 X 0.000333 0.001715 -0.000045 -0.000021 0.000021 363 C 30 Y -0.000057 -0.001498 -0.000001 -0.000005 0.000010 364 C 30 Z 0.000050 -0.002114 0.000113 0.000060 -0.000039 365 C 30 XX 0.000000 -0.000028 0.000002 -0.000005 0.000001 366 C 30 YY 0.000000 -0.000052 0.000006 0.000007 -0.000003 367 C 30 ZZ -0.000001 0.000081 -0.000008 -0.000003 0.000002 368 C 30 XY 0.000042 -0.000144 -0.000014 -0.000006 -0.000000 369 C 30 XZ 0.000018 -0.000094 -0.000010 -0.000003 -0.000004 370 C 30 YZ 0.000034 0.000127 0.000002 -0.000009 0.000004 371 H 31 S 0.000091 -0.000499 -0.000001 -0.000017 0.000007 372 H 31 S 0.000034 0.000186 -0.000022 -0.000020 0.000017 373 H 31 X -0.000027 -0.000131 0.000005 0.000000 -0.000001 374 H 31 Y 0.000019 0.000096 -0.000001 -0.000006 0.000002 375 H 31 Z -0.000021 0.000027 0.000001 0.000005 -0.000003 376 H 32 S 0.000018 0.000149 0.000002 0.000012 -0.000010 377 H 32 S 0.000535 0.001296 -0.000075 -0.000063 0.000032 378 H 32 X 0.000072 0.000029 -0.000010 -0.000005 0.000002 379 H 32 Y -0.000049 -0.000010 0.000012 0.000007 0.000001 380 H 32 Z -0.000020 0.000052 -0.000000 -0.000001 0.000001 381 H 33 S -0.000000 -0.000400 0.000014 0.000011 -0.000006 382 H 33 S -0.000117 -0.000042 0.000018 0.000008 -0.000012 383 H 33 X 0.000005 -0.000196 -0.000004 -0.000004 0.000001 384 H 33 Y 0.000020 0.000157 -0.000005 0.000002 -0.000002 385 H 33 Z 0.000011 0.000111 -0.000000 -0.000005 0.000003 386 H 34 S -0.000071 -0.000039 -0.000024 -0.000013 0.000001 387 H 34 S 0.000493 -0.000035 0.000039 -0.000021 -0.000008 388 H 34 X 0.000070 0.000005 0.000014 -0.000006 -0.000003 389 H 34 Y 0.000007 -0.000013 -0.000015 -0.000002 -0.000003 390 H 34 Z -0.000033 0.000008 -0.000017 0.000009 -0.000004 391 F 35 S 0.000009 0.000009 -0.000008 -0.000001 -0.000001 392 F 35 S 0.000016 0.000016 -0.000015 -0.000002 -0.000002 393 F 35 S -0.000074 -0.000090 0.000056 0.000009 0.000006 394 F 35 X -0.000002 0.000000 -0.000003 -0.000000 -0.000000 395 F 35 Y 0.000000 0.000001 -0.000002 -0.000000 -0.000001 396 F 35 Z 0.000001 0.000003 -0.000003 0.000000 -0.000000 397 F 35 X -0.000024 -0.000044 0.000029 -0.000001 0.000001 398 F 35 Y -0.000004 -0.000010 0.000008 0.000001 0.000005 399 F 35 Z 0.000021 -0.000006 0.000014 0.000003 0.000002 400 F 35 XX -0.000004 -0.000003 0.000000 -0.000001 -0.000000 401 F 35 YY 0.000005 0.000003 0.000000 0.000001 0.000000 402 F 35 ZZ -0.000001 0.000000 -0.000001 0.000000 -0.000000 403 F 35 XY -0.000001 -0.000001 -0.000000 0.000000 0.000000 404 F 35 XZ 0.000005 0.000001 0.000001 0.000001 0.000000 405 F 35 YZ -0.000001 -0.000000 0.000001 0.000000 -0.000000 406 F 36 S -0.000004 0.000004 -0.000001 0.000000 0.000001 407 F 36 S -0.000007 0.000008 -0.000002 0.000000 0.000001 408 F 36 S 0.000041 -0.000021 0.000015 -0.000001 -0.000006 409 F 36 X -0.000003 0.000000 -0.000003 -0.000001 -0.000000 410 F 36 Y -0.000000 -0.000001 -0.000001 0.000000 0.000000 411 F 36 Z 0.000004 0.000006 -0.000001 0.000000 -0.000000 412 F 36 X 0.000030 -0.000009 0.000015 0.000003 0.000001 413 F 36 Y -0.000004 0.000003 0.000002 -0.000000 0.000001 414 F 36 Z 0.000016 -0.000035 0.000018 0.000003 -0.000000 415 F 36 XX -0.000001 0.000002 -0.000000 0.000000 0.000000 416 F 36 YY -0.000003 -0.000001 -0.000001 -0.000001 -0.000000 417 F 36 ZZ 0.000004 -0.000001 0.000001 0.000001 0.000000 418 F 36 XY 0.000001 -0.000000 0.000000 0.000000 -0.000000 419 F 36 XZ 0.000002 -0.000001 0.000000 0.000000 -0.000000 420 F 36 YZ -0.000001 -0.000001 -0.000001 -0.000000 -0.000000 421 C 37 S -0.000118 0.000147 -0.000010 -0.000001 0.000003 422 C 37 S -0.000230 0.000248 -0.000012 -0.000012 0.000004 423 C 37 S 0.000099 -0.002659 0.000521 -0.000242 -0.000160 424 C 37 X 0.000095 -0.000014 -0.000010 0.000025 0.000004 425 C 37 Y -0.000043 -0.000005 0.000020 -0.000051 0.000000 426 C 37 Z 0.000005 0.000010 0.000005 -0.000003 0.000018 427 C 37 X 0.001983 0.000662 -0.000531 0.000298 0.000044 428 C 37 Y 0.001105 0.000293 -0.000451 -0.000112 -0.000022 429 C 37 Z 0.000277 0.000210 -0.000120 -0.000039 0.000055 430 C 37 XX 0.000028 0.000086 0.000028 -0.000023 -0.000004 431 C 37 YY 0.000123 -0.000144 -0.000012 0.000008 -0.000001 432 C 37 ZZ -0.000150 0.000057 -0.000016 0.000015 0.000006 433 C 37 XY 0.000061 0.000045 -0.000037 0.000071 -0.000006 434 C 37 XZ -0.000032 0.000007 0.000002 0.000017 -0.000006 435 C 37 YZ -0.000009 -0.000078 0.000005 0.000002 0.000012 436 S 38 S 0.000510 -0.000001 0.000004 -0.000042 -0.000002 437 S 38 S 1.006786 -0.000005 0.000749 0.004964 0.000057 438 S 38 S 0.005162 -0.000010 -0.000154 -0.001805 -0.000018 439 S 38 S -0.022616 0.000420 -0.000562 0.000156 0.000081 440 S 38 X 0.003650 -0.000011 0.707936 -0.705895 -0.027611 441 S 38 Y -0.004811 -0.000003 0.705401 0.708340 -0.029564 442 S 38 Z -0.000123 0.000000 0.040438 0.001443 0.999067 443 S 38 X 0.001019 -0.000041 0.000712 0.000085 0.000066 444 S 38 Y -0.001320 -0.000004 0.000711 -0.000106 0.000011 445 S 38 Z -0.000050 0.000002 0.000035 -0.000030 -0.001414 446 S 38 X -0.003944 -0.000275 -0.000563 0.000354 0.000003 447 S 38 Y 0.005032 -0.000166 -0.000274 -0.000236 -0.000009 448 S 38 Z -0.000004 0.000075 -0.000039 0.000056 -0.000111 449 S 38 XX -0.000350 0.000002 0.000445 -0.000091 0.000007 450 S 38 YY -0.000238 -0.000002 -0.000481 -0.000085 0.000008 451 S 38 ZZ 0.000588 -0.000000 0.000036 0.000176 -0.000015 452 S 38 XY 0.000026 0.000104 -0.000087 0.000102 0.000008 453 S 38 XZ -0.000028 0.000005 0.000005 -0.000003 0.000027 454 S 38 YZ -0.000014 -0.000016 -0.000012 -0.000022 -0.000022 455 S 38 XX 0.000368 -0.000001 0.000647 -0.000065 -0.000026 456 S 38 YY 0.000325 -0.000000 -0.000721 -0.000435 0.000050 457 S 38 ZZ -0.000693 0.000001 0.000074 0.000501 -0.000024 458 S 38 XY 0.000325 -0.000011 -0.000083 0.001267 0.000016 459 S 38 XZ 0.000061 -0.000000 0.000011 0.000036 0.000724 460 S 38 YZ 0.000029 0.000002 -0.000040 -0.000018 -0.000941 461 H 39 S -0.000228 0.000031 0.000014 -0.000018 0.000004 462 H 39 S -0.000572 -0.000084 0.000119 -0.000118 -0.000006 463 H 39 X -0.000034 -0.000003 0.000022 -0.000017 -0.000002 464 H 39 Y -0.000083 -0.000011 0.000021 -0.000012 0.000003 465 H 39 Z -0.000024 0.000007 0.000005 -0.000001 -0.000004 31 32 33 34 35 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S 0.000046 0.000085 0.000003 -0.000348 0.000085 2 C 1 S -0.000255 -0.000145 -0.000003 -0.000542 0.000092 3 C 1 S 0.000808 -0.000016 0.000114 0.008423 -0.003760 4 C 1 X -0.000193 -0.000109 0.000003 -0.000219 0.000114 5 C 1 Y -0.000213 -0.000234 -0.000010 0.000124 -0.000239 6 C 1 Z 0.000002 -0.000002 0.000025 0.000004 -0.000012 7 C 1 X 0.000046 -0.000371 -0.000143 -0.006264 0.002027 8 C 1 Y 0.000640 0.000549 -0.000017 -0.001334 0.005123 9 C 1 Z 0.000064 0.000029 -0.000095 0.000361 -0.000188 10 C 1 XX 0.000062 0.000050 0.000020 0.000453 -0.000207 11 C 1 YY -0.000015 -0.000062 -0.000021 -0.000165 0.000109 12 C 1 ZZ -0.000047 0.000012 0.000001 -0.000288 0.000098 13 C 1 XY -0.000128 -0.000172 -0.000002 -0.000078 0.000011 14 C 1 XZ -0.000016 -0.000011 0.000028 -0.000047 0.000062 15 C 1 YZ 0.000015 0.000007 0.000037 0.000006 -0.000005 16 C 2 S 0.000047 0.000016 0.000004 0.000223 -0.000137 17 C 2 S 0.000072 0.000018 0.000005 0.000713 -0.000842 18 C 2 S -0.001717 -0.000758 -0.000345 -0.005084 -0.005133 19 C 2 X -0.000026 -0.000051 -0.000007 -0.000071 0.000376 20 C 2 Y -0.000003 0.000000 -0.000004 0.000235 -0.000561 21 C 2 Z -0.000004 0.000006 -0.000016 -0.000028 -0.000076 22 C 2 X -0.000444 -0.000115 -0.000144 -0.006294 0.003428 23 C 2 Y -0.001159 -0.000409 -0.000072 0.006959 -0.010517 24 C 2 Z -0.000039 -0.000005 0.000025 0.000700 -0.000123 25 C 2 XX -0.000051 -0.000057 0.000000 -0.000679 0.000586 26 C 2 YY 0.000002 0.000037 -0.000001 0.000597 -0.000644 27 C 2 ZZ 0.000049 0.000020 0.000001 0.000083 0.000058 28 C 2 XY -0.000063 -0.000047 -0.000003 0.000027 0.000270 29 C 2 XZ 0.000008 -0.000001 0.000013 0.000079 -0.000002 30 C 2 YZ 0.000003 0.000002 -0.000011 -0.000048 0.000055 31 C 3 S -0.000033 0.000005 -0.000005 0.000116 -0.000712 32 C 3 S -0.000055 -0.000005 -0.000011 0.001571 -0.002912 33 C 3 S 0.000640 -0.000280 -0.000181 -0.008440 0.017256 34 C 3 X -0.000007 -0.000027 -0.000010 -0.000629 0.001359 35 C 3 Y 0.000022 -0.000016 0.000002 0.000267 0.000028 36 C 3 Z -0.000008 -0.000005 -0.000002 -0.000217 0.000202 37 C 3 X 0.001390 -0.000678 0.000467 -0.000635 -0.008475 38 C 3 Y -0.001326 -0.000582 -0.000263 0.003790 -0.011904 39 C 3 Z -0.000017 -0.000036 0.000016 0.000157 -0.002202 40 C 3 XX 0.000023 -0.000054 0.000001 0.000200 -0.000252 41 C 3 YY -0.000002 0.000028 -0.000002 -0.000480 0.000959 42 C 3 ZZ -0.000021 0.000026 0.000002 0.000280 -0.000707 43 C 3 XY -0.000001 -0.000038 0.000007 -0.000007 -0.000411 44 C 3 XZ -0.000003 -0.000005 0.000007 0.000082 -0.000281 45 C 3 YZ -0.000002 0.000008 0.000007 -0.000135 0.000052 46 C 4 S 0.000068 -0.000056 0.000000 -0.000423 -0.000158 47 C 4 S 0.000306 -0.000320 0.000001 -0.000562 -0.000352 48 C 4 S -0.000835 0.001181 0.000015 0.001835 0.004587 49 C 4 X 0.000201 -0.000172 0.000013 -0.000117 0.000132 50 C 4 Y -0.000106 0.000174 -0.000011 -0.000182 -0.000120 51 C 4 Z -0.000059 0.000069 0.000049 0.000028 -0.000140 52 C 4 X -0.000564 -0.000188 -0.000045 -0.001599 -0.001738 53 C 4 Y 0.000832 -0.000551 0.000278 -0.000462 -0.000214 54 C 4 Z 0.000359 -0.000307 -0.000031 0.000208 0.002583 55 C 4 XX 0.000024 -0.000044 0.000009 0.000337 -0.000288 56 C 4 YY -0.000022 0.000022 -0.000005 -0.000054 0.000261 57 C 4 ZZ -0.000002 0.000022 -0.000004 -0.000283 0.000027 58 C 4 XY -0.000015 0.000097 -0.000016 0.000164 0.000050 59 C 4 XZ -0.000004 0.000049 0.000030 -0.000007 -0.000110 60 C 4 YZ 0.000009 -0.000018 -0.000017 0.000042 0.000014 61 S 5 S -0.000002 -0.000042 -0.000003 -0.000040 0.000018 62 S 5 S 0.000507 0.004537 0.000195 -0.000287 0.000126 63 S 5 S -0.000179 -0.001699 -0.000073 -0.000324 0.000123 64 S 5 S 0.000133 0.000198 0.000139 0.001968 -0.001719 65 S 5 X -0.083524 0.972542 0.217435 0.000003 0.000021 66 S 5 Y 0.988304 0.109066 -0.108486 -0.000011 0.000035 67 S 5 Z 0.129269 -0.205832 0.969892 0.000000 -0.000011 68 S 5 X -0.000174 0.000053 -0.000331 -0.000002 0.000073 69 S 5 Y 0.001061 -0.000086 0.000168 -0.000037 0.000106 70 S 5 Z 0.000152 -0.000015 -0.001466 0.000004 -0.000032 71 S 5 X 0.000055 -0.000465 -0.000048 -0.000061 0.000253 72 S 5 Y -0.000840 -0.000048 -0.000029 -0.000691 0.001207 73 S 5 Z -0.000079 0.000137 0.000005 0.000003 -0.000008 74 S 5 XX 0.000118 -0.000167 -0.000011 -0.000159 0.000171 75 S 5 YY -0.000144 -0.000016 -0.000001 0.000230 -0.000156 76 S 5 ZZ 0.000026 0.000183 0.000012 -0.000071 -0.000015 77 S 5 XY -0.000475 0.000005 0.000001 -0.000036 -0.000143 78 S 5 XZ -0.000089 0.000079 -0.000039 0.000016 0.000049 79 S 5 YZ 0.000072 -0.000032 0.000015 0.000007 -0.000001 80 S 5 XX 0.000121 -0.001136 -0.000390 0.000008 -0.000010 81 S 5 YY -0.000205 0.000740 0.000074 -0.000011 0.000007 82 S 5 ZZ 0.000084 0.000396 0.000316 0.000003 0.000002 83 S 5 XY -0.000676 -0.000375 0.000069 0.000001 0.000006 84 S 5 XZ -0.000089 0.000318 -0.001018 -0.000001 -0.000002 85 S 5 YZ 0.000079 0.000117 -0.000217 0.000000 -0.000000 86 H 6 S -0.000030 0.000004 0.000001 -0.000135 -0.000187 87 H 6 S -0.000311 -0.000120 -0.000033 0.003988 -0.005757 88 H 6 X 0.000004 -0.000005 0.000004 0.000347 -0.000320 89 H 6 Y 0.000052 0.000024 0.000001 0.000118 -0.000256 90 H 6 Z 0.000002 -0.000000 -0.000006 -0.000076 0.000060 91 C 7 S 0.000026 -0.000007 -0.000009 0.000314 0.000789 92 C 7 S 0.000045 -0.000015 -0.000015 0.002150 0.003559 93 C 7 S -0.000144 0.000117 0.000284 -0.014050 -0.014610 94 C 7 X 0.000006 -0.000014 0.000006 -0.000968 -0.001892 95 C 7 Y -0.000017 0.000017 -0.000005 -0.000134 0.000056 96 C 7 Z 0.000010 -0.000002 0.000005 -0.000044 0.000251 97 C 7 X 0.000115 -0.000259 0.000137 0.005961 0.022256 98 C 7 Y 0.000362 -0.000307 -0.000118 0.002848 -0.002728 99 C 7 Z -0.000019 0.000053 -0.000025 -0.001072 -0.003575 100 C 7 XX -0.000010 0.000001 0.000007 0.000219 0.000275 101 C 7 YY 0.000002 -0.000001 0.000002 -0.000437 -0.000812 102 C 7 ZZ 0.000008 -0.000000 -0.000009 0.000219 0.000536 103 C 7 XY 0.000008 0.000014 -0.000006 0.000072 -0.000449 104 C 7 XZ 0.000014 -0.000003 -0.000004 0.000383 0.000335 105 C 7 YZ 0.000001 -0.000002 0.000003 0.000124 0.000074 106 C 8 S -0.000028 -0.000003 0.000006 -0.000240 -0.000002 107 C 8 S -0.000048 -0.000006 0.000010 -0.000395 0.000019 108 C 8 S 0.000632 0.000167 -0.000144 0.002855 -0.001925 109 C 8 X 0.000002 -0.000003 0.000001 0.000057 -0.000006 110 C 8 Y -0.000015 -0.000003 0.000000 -0.000108 -0.000134 111 C 8 Z 0.000003 -0.000001 0.000003 0.000007 0.000001 112 C 8 X 0.000234 0.000106 -0.000039 -0.002479 -0.003055 113 C 8 Y -0.000373 -0.000085 0.000095 0.000727 0.005819 114 C 8 Z -0.000067 -0.000003 -0.000000 -0.000226 0.000446 115 C 8 XX -0.000006 -0.000000 0.000002 0.000202 0.000232 116 C 8 YY 0.000026 0.000002 -0.000003 -0.000108 -0.000287 117 C 8 ZZ -0.000020 -0.000002 0.000001 -0.000094 0.000054 118 C 8 XY -0.000016 0.000000 0.000000 -0.000042 0.000020 119 C 8 XZ -0.000002 -0.000001 0.000000 0.000030 0.000063 120 C 8 YZ 0.000007 -0.000001 -0.000001 -0.000001 -0.000050 121 C 9 S -0.000028 0.000008 0.000013 -0.000456 0.000178 122 C 9 S -0.000046 0.000017 0.000018 -0.000630 0.000416 123 C 9 S -0.000110 -0.000074 -0.000371 0.001370 -0.009119 124 C 9 X -0.000009 0.000007 -0.000010 0.000049 0.000052 125 C 9 Y 0.000010 -0.000015 0.000018 0.000225 0.000113 126 C 9 Z 0.000017 -0.000017 0.000000 0.000101 -0.000009 127 C 9 X -0.000095 -0.000123 0.000218 -0.004598 0.002235 128 C 9 Y -0.000461 0.000355 -0.000029 -0.002545 -0.006471 129 C 9 Z -0.000307 0.000109 -0.000143 0.000077 -0.002163 130 C 9 XX 0.000002 0.000013 -0.000002 0.000413 0.000348 131 C 9 YY 0.000035 -0.000023 -0.000004 -0.000206 -0.000238 132 C 9 ZZ -0.000037 0.000010 0.000005 -0.000206 -0.000109 133 C 9 XY -0.000066 0.000013 0.000005 -0.000110 0.000294 134 C 9 XZ 0.000006 -0.000015 0.000010 -0.000153 -0.000021 135 C 9 YZ -0.000006 0.000015 0.000000 -0.000071 -0.000096 136 C 10 S -0.000005 0.000020 -0.000002 -0.001471 -0.001007 137 C 10 S -0.000006 0.000031 -0.000005 0.010793 0.012108 138 C 10 S 0.000350 -0.000809 -0.000010 0.030221 0.028302 139 C 10 X 0.000008 -0.000007 0.000002 -0.010185 -0.012573 140 C 10 Y 0.000004 0.000008 -0.000001 0.001675 0.006690 141 C 10 Z 0.000004 -0.000002 0.000008 0.000855 0.002298 142 C 10 X 0.000057 -0.000256 -0.000127 -0.004088 -0.018727 143 C 10 Y 0.000012 0.000163 0.000061 0.013572 0.039139 144 C 10 Z -0.000042 0.000048 0.000016 0.002043 0.001023 145 C 10 XX 0.000007 -0.000005 0.000002 0.003738 0.005712 146 C 10 YY 0.000001 -0.000010 -0.000002 -0.001295 -0.002481 147 C 10 ZZ -0.000008 0.000016 0.000000 -0.002443 -0.003231 148 C 10 XY 0.000004 -0.000000 0.000001 -0.001686 -0.003787 149 C 10 XZ 0.000001 0.000005 0.000000 -0.000570 -0.001380 150 C 10 YZ 0.000004 -0.000000 0.000001 0.000634 0.000968 151 C 11 S -0.000024 -0.000010 -0.000018 -0.001393 0.000372 152 C 11 S -0.000040 -0.000018 -0.000030 0.009602 -0.010173 153 C 11 S 0.001193 0.000022 0.000562 0.026484 -0.007312 154 C 11 X 0.000007 -0.000017 0.000001 -0.008565 0.009428 155 C 11 Y 0.000002 -0.000012 0.000000 -0.002337 0.007455 156 C 11 Z 0.000002 -0.000001 0.000001 -0.000278 0.000074 157 C 11 X 0.000579 0.000272 0.000287 -0.011759 0.013759 158 C 11 Y -0.000276 0.000598 -0.000110 -0.008323 0.034754 159 C 11 Z 0.000039 -0.000006 0.000014 0.000677 0.001873 160 C 11 XX 0.000020 -0.000011 0.000010 0.002735 -0.003859 161 C 11 YY -0.000017 0.000019 -0.000002 -0.000362 0.001272 162 C 11 ZZ -0.000004 -0.000008 -0.000009 -0.002373 0.002586 163 C 11 XY 0.000007 -0.000008 -0.000002 0.002076 -0.004331 164 C 11 XZ 0.000000 -0.000003 -0.000001 0.000388 -0.000595 165 C 11 YZ 0.000002 -0.000001 -0.000001 -0.000116 0.000618 166 C 12 S 0.000002 -0.000002 -0.000000 -0.002919 -0.001923 167 C 12 S 0.000003 -0.000002 -0.000001 0.085270 0.121921 168 C 12 S -0.000045 0.000016 -0.000087 0.011327 -0.038346 169 C 12 X -0.000000 0.000003 -0.000003 -0.023930 -0.025191 170 C 12 Y 0.000001 0.000000 0.000000 0.015387 0.054807 171 C 12 Z -0.000001 -0.000001 0.000000 0.003504 0.019492 172 C 12 X -0.000021 -0.000022 -0.000018 -0.016813 -0.008742 173 C 12 Y -0.000007 -0.000053 0.000001 -0.006347 0.006172 174 C 12 Z 0.000046 -0.000030 0.000026 -0.004683 0.008356 175 C 12 XX -0.000004 0.000004 -0.000001 -0.007409 -0.012840 176 C 12 YY 0.000004 -0.000003 0.000001 0.004195 0.003231 177 C 12 ZZ 0.000000 -0.000001 -0.000001 0.003213 0.009609 178 C 12 XY -0.000002 -0.000001 -0.000002 0.001006 -0.008002 179 C 12 XZ 0.000002 -0.000000 -0.000001 0.001687 -0.002502 180 C 12 YZ -0.000003 0.000003 -0.000001 -0.002089 -0.009508 181 C 13 S -0.000009 0.000011 -0.000004 -0.004922 0.000117 182 C 13 S -0.000015 0.000018 -0.000007 0.142623 -0.019163 183 C 13 S 0.000076 -0.000175 0.000036 0.010505 0.011519 184 C 13 X 0.000000 -0.000002 -0.000000 -0.043671 0.008206 185 C 13 Y -0.000001 0.000003 0.000001 0.000830 0.025489 186 C 13 Z 0.000002 -0.000001 0.000001 -0.027464 0.009214 187 C 13 X 0.000065 -0.000058 0.000027 0.000091 0.001978 188 C 13 Y 0.000020 0.000009 0.000020 0.002231 0.026383 189 C 13 Z -0.000022 -0.000024 -0.000005 -0.000001 0.004644 190 C 13 XX 0.000005 0.000000 0.000001 0.004683 -0.001933 191 C 13 YY -0.000003 -0.000003 -0.000001 -0.011661 0.003291 192 C 13 ZZ -0.000002 0.000002 -0.000001 0.006978 -0.001358 193 C 13 XY -0.000001 0.000003 0.000000 0.002329 0.006555 194 C 13 XZ 0.000001 -0.000000 0.000001 -0.007104 0.001761 195 C 13 YZ -0.000001 0.000001 0.000000 -0.002137 0.006009 196 C 14 S 0.000001 -0.000008 0.000001 -0.002551 0.002021 197 C 14 S -0.000000 -0.000013 0.000002 0.075381 -0.101392 198 C 14 S 0.000032 0.000381 0.000020 0.009295 0.020545 199 C 14 X -0.000006 0.000018 -0.000001 -0.020157 0.017412 200 C 14 Y -0.000000 -0.000000 0.000000 -0.014538 0.046308 201 C 14 Z -0.000002 0.000001 0.000000 -0.001220 -0.003881 202 C 14 X -0.000041 0.000086 -0.000021 -0.020196 0.010088 203 C 14 Y 0.000012 0.000064 0.000012 0.005533 0.000712 204 C 14 Z 0.000017 -0.000023 -0.000005 -0.005245 -0.001844 205 C 14 XX -0.000013 0.000008 -0.000005 -0.005674 0.010971 206 C 14 YY 0.000006 -0.000006 0.000003 0.002747 -0.001591 207 C 14 ZZ 0.000007 -0.000001 0.000002 0.002927 -0.009379 208 C 14 XY -0.000000 -0.000003 -0.000001 -0.003737 -0.002991 209 C 14 XZ -0.000002 0.000000 -0.000000 0.000477 0.002585 210 C 14 YZ 0.000003 -0.000003 0.000002 0.001168 -0.004583 211 F 15 S 0.000002 -0.000001 0.000001 -0.002417 -0.003991 212 F 15 S 0.000004 -0.000002 0.000002 0.129523 0.221955 213 F 15 S -0.000015 0.000007 -0.000009 0.145178 0.251060 214 F 15 X -0.000000 0.000000 -0.000001 0.004457 0.009163 215 F 15 Y 0.000001 -0.000001 0.000001 -0.002009 0.000369 216 F 15 Z 0.000000 -0.000000 0.000001 -0.026266 -0.041001 217 F 15 X 0.000002 -0.000001 -0.000002 0.003900 0.005725 218 F 15 Y -0.000001 0.000007 0.000000 -0.000427 0.000781 219 F 15 Z 0.000000 -0.000001 0.000001 -0.014734 -0.025126 220 F 15 XX -0.000000 -0.000000 -0.000000 -0.001569 -0.002390 221 F 15 YY -0.000000 0.000000 0.000000 -0.001680 -0.002642 222 F 15 ZZ 0.000000 -0.000000 0.000000 0.003249 0.005032 223 F 15 XY -0.000000 0.000000 -0.000000 0.000026 -0.000016 224 F 15 XZ -0.000000 0.000000 0.000000 -0.001181 -0.002014 225 F 15 YZ -0.000000 -0.000000 -0.000000 0.000357 0.000127 226 F 16 S -0.000002 0.000001 -0.000001 -0.002430 -0.004675 227 F 16 S -0.000004 0.000002 -0.000002 0.149117 0.266130 228 F 16 S 0.000015 -0.000003 0.000012 0.163996 0.301389 229 F 16 X -0.000001 0.000001 0.000000 0.005885 0.011460 230 F 16 Y -0.000001 -0.000001 -0.000000 -0.025320 -0.039203 231 F 16 Z 0.000000 -0.000001 -0.000000 0.013874 0.025181 232 F 16 X 0.000005 -0.000004 0.000002 0.004193 0.007180 233 F 16 Y 0.000002 0.000007 -0.000003 -0.013380 -0.022381 234 F 16 Z -0.000003 0.000008 -0.000001 0.007789 0.015315 235 F 16 XX 0.000000 -0.000001 0.000000 -0.001623 -0.002481 236 F 16 YY -0.000000 -0.000000 0.000000 0.002168 0.003148 237 F 16 ZZ -0.000000 0.000001 -0.000000 -0.000545 -0.000667 238 F 16 XY 0.000000 -0.000000 0.000000 -0.001141 -0.002001 239 F 16 XZ -0.000000 0.000000 -0.000000 0.000747 0.001320 240 F 16 YZ 0.000001 -0.000000 0.000000 -0.002560 -0.004455 241 F 17 S -0.000001 0.000001 0.000000 -0.002163 0.003759 242 F 17 S -0.000001 0.000001 -0.000000 0.126823 -0.214557 243 F 17 S 0.000003 -0.000010 -0.000001 0.140035 -0.242529 244 F 17 X -0.000002 -0.000000 -0.000001 0.000911 -0.003008 245 F 17 Y 0.000001 0.000001 0.000000 0.019197 -0.027967 246 F 17 Z 0.000000 0.000000 -0.000000 0.016410 -0.027034 247 F 17 X 0.000007 0.000005 0.000003 0.001675 -0.002492 248 F 17 Y -0.000010 -0.000008 -0.000003 0.010418 -0.015255 249 F 17 Z -0.000004 -0.000001 -0.000000 0.009233 -0.016701 250 F 17 XX 0.000000 0.000000 0.000000 -0.001635 0.002446 251 F 17 YY -0.000000 -0.000001 -0.000000 0.001143 -0.001400 252 F 17 ZZ -0.000000 0.000000 0.000000 0.000492 -0.001046 253 F 17 XY -0.000000 0.000001 -0.000000 0.000195 -0.000478 254 F 17 XZ -0.000000 0.000000 -0.000000 0.000310 -0.000545 255 F 17 YZ -0.000001 0.000000 -0.000000 0.002674 -0.004249 256 F 18 S 0.000001 -0.000002 -0.000001 -0.002182 0.003370 257 F 18 S 0.000002 -0.000004 -0.000001 0.113390 -0.182045 258 F 18 S -0.000011 0.000002 0.000004 0.127437 -0.206309 259 F 18 X -0.000001 -0.000001 -0.000000 0.004336 -0.008559 260 F 18 Y 0.000000 0.000000 -0.000001 0.007637 -0.008585 261 F 18 Z -0.000000 0.000000 0.000000 -0.021916 0.032700 262 F 18 X 0.000005 0.000007 0.000003 0.004150 -0.005441 263 F 18 Y -0.000001 -0.000004 0.000001 0.003697 -0.003976 264 F 18 Z 0.000005 0.000005 0.000000 -0.012269 0.019948 265 F 18 XX -0.000000 0.000002 -0.000000 -0.001311 0.001873 266 F 18 YY 0.000000 -0.000001 0.000000 -0.001079 0.001709 267 F 18 ZZ -0.000000 -0.000001 -0.000000 0.002390 -0.003582 268 F 18 XY -0.000000 0.000000 0.000000 0.000253 -0.000434 269 F 18 XZ 0.000000 -0.000000 -0.000000 -0.001141 0.001808 270 F 18 YZ 0.000000 0.000000 0.000000 -0.001540 0.001933 271 C 19 S -0.000007 -0.000001 0.000000 -0.000067 0.000005 272 C 19 S -0.000014 -0.000002 0.000001 -0.000124 0.000007 273 C 19 S 0.000030 -0.000016 -0.000006 -0.000078 -0.001913 274 C 19 X 0.000005 0.000002 -0.000001 0.000061 0.000074 275 C 19 Y 0.000007 0.000002 -0.000001 0.000048 0.000037 276 C 19 Z 0.000001 0.000001 -0.000000 0.000003 0.000002 277 C 19 X -0.000057 -0.000014 0.000016 -0.000061 0.000710 278 C 19 Y 0.000018 0.000017 -0.000003 -0.000492 -0.000028 279 C 19 Z 0.000012 -0.000005 0.000003 0.000084 0.000138 280 C 19 XX 0.000012 0.000005 -0.000002 -0.000075 -0.000135 281 C 19 YY -0.000005 -0.000003 0.000002 0.000084 0.000119 282 C 19 ZZ -0.000006 -0.000002 0.000001 -0.000009 0.000015 283 C 19 XY -0.000001 -0.000000 -0.000000 -0.000020 -0.000032 284 C 19 XZ -0.000001 0.000000 -0.000001 -0.000012 -0.000015 285 C 19 YZ -0.000001 -0.000001 -0.000001 0.000010 0.000021 286 H 20 S -0.000002 0.000000 0.000000 0.000048 0.000130 287 H 20 S 0.000023 0.000004 -0.000011 0.000286 0.000000 288 H 20 X 0.000005 0.000002 -0.000000 -0.000067 -0.000089 289 H 20 Y 0.000001 0.000000 -0.000000 -0.000013 -0.000019 290 H 20 Z -0.000001 0.000001 -0.000000 -0.000013 -0.000012 291 H 21 S 0.000004 -0.000000 -0.000001 -0.000041 -0.000018 292 H 21 S -0.000005 -0.000004 0.000002 0.000305 0.000336 293 H 21 X 0.000001 -0.000000 -0.000000 0.000029 0.000034 294 H 21 Y -0.000003 -0.000001 0.000001 0.000027 0.000046 295 H 21 Z -0.000001 0.000000 -0.000000 0.000025 0.000035 296 C 22 S 0.000029 -0.000026 0.000003 -0.000101 0.000018 297 C 22 S 0.000051 -0.000040 0.000006 -0.000191 0.000042 298 C 22 S 0.000088 0.000476 -0.000003 -0.000069 0.002471 299 C 22 X 0.000023 -0.000006 -0.000002 0.000040 -0.000077 300 C 22 Y -0.000007 -0.000005 0.000004 -0.000125 0.000119 301 C 22 Z -0.000000 -0.000001 -0.000001 -0.000013 0.000014 302 C 22 X -0.000148 -0.000080 0.000018 0.000932 -0.000698 303 C 22 Y -0.000292 0.000169 0.000003 0.000448 0.001077 304 C 22 Z -0.000037 0.000028 0.000053 -0.000005 0.000105 305 C 22 XX 0.000064 0.000037 -0.000001 -0.000012 -0.000032 306 C 22 YY -0.000103 -0.000039 0.000001 0.000078 -0.000042 307 C 22 ZZ 0.000039 0.000002 0.000000 -0.000067 0.000074 308 C 22 XY -0.000016 -0.000008 -0.000000 0.000139 -0.000133 309 C 22 XZ -0.000005 -0.000003 -0.000011 0.000008 -0.000008 310 C 22 YZ -0.000007 -0.000001 0.000005 -0.000004 0.000008 311 H 23 S -0.000027 -0.000020 0.000001 0.000056 -0.000034 312 H 23 S -0.000149 -0.000008 0.000002 0.000212 0.000395 313 H 23 X 0.000009 0.000011 0.000001 -0.000021 0.000047 314 H 23 Y 0.000003 -0.000011 -0.000002 -0.000072 0.000064 315 H 23 Z 0.000001 -0.000002 -0.000006 -0.000004 -0.000000 316 H 24 S 0.000028 -0.000023 0.000008 -0.000014 -0.000093 317 H 24 S -0.000043 -0.000001 -0.000018 -0.000080 0.000089 318 H 24 X 0.000020 -0.000002 -0.000001 -0.000053 0.000011 319 H 24 Y 0.000008 0.000005 0.000005 0.000011 -0.000010 320 H 24 Z 0.000019 0.000009 -0.000003 0.000003 0.000018 321 H 25 S 0.000017 -0.000023 -0.000004 0.000000 -0.000109 322 H 25 S -0.000077 0.000030 0.000019 -0.000060 0.000007 323 H 25 X 0.000022 -0.000004 -0.000002 -0.000062 0.000027 324 H 25 Y 0.000007 0.000008 0.000001 0.000016 -0.000024 325 H 25 Z -0.000022 -0.000007 -0.000004 0.000003 -0.000028 326 C 26 S -0.000018 0.000020 -0.000002 -0.000037 -0.000034 327 C 26 S -0.000033 0.000039 -0.000003 -0.000048 -0.000038 328 C 26 S -0.000111 0.000033 -0.000044 -0.001445 -0.000389 329 C 26 X 0.000000 0.000006 -0.000005 0.000087 0.000021 330 C 26 Y 0.000013 -0.000013 0.000003 -0.000036 0.000011 331 C 26 Z -0.000018 0.000018 -0.000002 -0.000131 0.000034 332 C 26 X -0.000025 -0.000014 -0.000018 0.000476 -0.000167 333 C 26 Y -0.000039 0.000072 -0.000052 0.001126 0.000533 334 C 26 Z -0.000057 -0.000017 0.000033 0.000344 -0.000458 335 C 26 XX -0.000014 -0.000004 0.000007 -0.000002 0.000007 336 C 26 YY 0.000013 -0.000004 -0.000010 -0.000044 0.000016 337 C 26 ZZ 0.000001 0.000008 0.000002 0.000046 -0.000023 338 C 26 XY -0.000010 0.000000 0.000007 0.000042 0.000090 339 C 26 XZ -0.000000 0.000003 -0.000009 0.000144 0.000051 340 C 26 YZ -0.000002 -0.000012 0.000016 0.000128 0.000107 341 H 27 S -0.000008 0.000028 -0.000008 -0.000073 -0.000084 342 H 27 S -0.000046 0.000006 -0.000025 0.001848 -0.000077 343 H 27 X -0.000006 0.000009 -0.000007 0.000042 -0.000054 344 H 27 Y 0.000004 -0.000009 0.000003 0.000032 -0.000028 345 H 27 Z -0.000009 0.000012 -0.000004 0.000055 -0.000038 346 H 28 S 0.000000 -0.000022 0.000025 0.000008 -0.000046 347 H 28 S 0.000011 -0.000051 0.000036 -0.000335 -0.000401 348 H 28 X 0.000004 -0.000002 0.000002 0.000039 0.000050 349 H 28 Y 0.000006 0.000007 -0.000012 -0.000068 -0.000021 350 H 28 Z -0.000001 -0.000003 0.000002 -0.000059 -0.000020 351 H 29 S 0.000015 0.000026 -0.000023 0.000240 0.000004 352 H 29 S -0.000006 0.000020 0.000027 0.000281 -0.000005 353 H 29 X 0.000008 -0.000001 -0.000005 -0.000080 -0.000025 354 H 29 Y -0.000010 -0.000006 0.000009 -0.000011 -0.000011 355 H 29 Z 0.000011 0.000013 -0.000011 0.000039 -0.000046 356 C 30 S -0.000015 0.000011 0.000021 -0.000053 0.000077 357 C 30 S -0.000023 0.000019 0.000044 -0.000056 0.000114 358 C 30 S -0.000002 -0.000000 -0.000079 -0.000288 -0.002471 359 C 30 X -0.000007 0.000005 0.000009 0.000013 -0.000002 360 C 30 Y -0.000005 0.000001 -0.000014 0.000001 0.000003 361 C 30 Z -0.000014 0.000013 -0.000018 0.000007 0.000150 362 C 30 X 0.000209 -0.000089 -0.000084 0.000286 0.000293 363 C 30 Y -0.000190 0.000128 0.000032 -0.000084 0.000227 364 C 30 Z 0.000021 0.000055 0.000067 0.000013 0.000736 365 C 30 XX 0.000011 0.000019 0.000006 0.000019 0.000037 366 C 30 YY -0.000007 -0.000004 -0.000003 -0.000043 0.000010 367 C 30 ZZ -0.000004 -0.000015 -0.000003 0.000024 -0.000046 368 C 30 XY -0.000026 0.000004 0.000005 0.000028 0.000007 369 C 30 XZ -0.000063 0.000026 0.000008 -0.000017 -0.000043 370 C 30 YZ 0.000052 -0.000038 0.000003 0.000071 0.000018 371 H 31 S 0.000008 0.000013 0.000031 0.000068 0.000162 372 H 31 S -0.000143 -0.000016 0.000005 -0.000170 0.000134 373 H 31 X -0.000007 -0.000006 0.000015 -0.000010 -0.000029 374 H 31 Y 0.000008 -0.000005 -0.000005 0.000027 0.000026 375 H 31 Z -0.000002 0.000019 -0.000018 0.000019 -0.000024 376 H 32 S -0.000013 -0.000015 -0.000010 0.000046 0.000134 377 H 32 S 0.000127 -0.000071 -0.000061 0.000419 0.000427 378 H 32 X -0.000019 0.000001 -0.000002 0.000012 -0.000004 379 H 32 Y 0.000013 -0.000005 0.000002 -0.000015 -0.000001 380 H 32 Z 0.000003 0.000003 0.000003 -0.000047 -0.000067 381 H 33 S -0.000018 0.000015 0.000013 0.000010 0.000090 382 H 33 S 0.000007 0.000015 0.000026 -0.000068 -0.000061 383 H 33 X -0.000011 0.000007 0.000011 0.000008 -0.000007 384 H 33 Y -0.000008 -0.000006 -0.000010 0.000001 0.000001 385 H 33 Z -0.000008 -0.000013 -0.000010 -0.000020 -0.000011 386 H 34 S 0.000001 0.000003 -0.000001 -0.000059 -0.000051 387 H 34 S -0.000008 0.000002 -0.000000 0.000124 0.000214 388 H 34 X -0.000000 0.000001 -0.000000 0.000024 0.000029 389 H 34 Y -0.000004 -0.000002 0.000001 0.000041 0.000063 390 H 34 Z -0.000001 -0.000001 -0.000000 -0.000009 -0.000014 391 F 35 S -0.000001 -0.000002 -0.000000 -0.004065 0.000770 392 F 35 S -0.000002 -0.000004 -0.000000 0.253107 -0.041111 393 F 35 S 0.000011 0.000014 0.000003 0.279028 -0.046979 394 F 35 X 0.000001 -0.000001 0.000000 0.046565 -0.006940 395 F 35 Y -0.000000 0.000001 -0.000000 0.004908 0.002497 396 F 35 Z 0.000001 -0.000001 0.000000 -0.019198 0.003600 397 F 35 X -0.000007 0.000011 -0.000003 0.024766 -0.004167 398 F 35 Y -0.000001 -0.000004 -0.000002 0.002575 -0.001693 399 F 35 Z -0.000002 0.000003 -0.000001 -0.011424 0.001746 400 F 35 XX -0.000001 0.000000 -0.000000 0.004898 -0.000751 401 F 35 YY 0.000000 -0.000000 0.000000 -0.003085 0.000492 402 F 35 ZZ 0.000000 -0.000000 0.000000 -0.001813 0.000259 403 F 35 XY -0.000000 -0.000000 -0.000000 0.000973 0.000136 404 F 35 XZ 0.000000 0.000000 0.000000 -0.003864 0.000654 405 F 35 YZ 0.000000 0.000000 0.000000 -0.000393 0.000079 406 F 36 S 0.000002 -0.000001 0.000001 -0.004285 0.000713 407 F 36 S 0.000004 -0.000001 0.000002 0.246123 -0.041246 408 F 36 S -0.000021 0.000009 -0.000008 0.274404 -0.046716 409 F 36 X -0.000000 -0.000001 0.000000 -0.001875 0.000375 410 F 36 Y 0.000000 -0.000000 0.000000 -0.004309 0.004177 411 F 36 Z -0.000000 -0.000000 0.000000 0.048587 -0.007059 412 F 36 X -0.000002 0.000003 -0.000001 -0.001866 0.000116 413 F 36 Y -0.000002 -0.000001 -0.000001 -0.002595 0.001022 414 F 36 Z -0.000005 0.000005 -0.000002 0.027379 -0.004420 415 F 36 XX 0.000000 0.000000 0.000000 -0.003141 0.000430 416 F 36 YY -0.000000 -0.000000 -0.000000 -0.002996 0.000423 417 F 36 ZZ -0.000000 0.000000 -0.000000 0.006136 -0.000852 418 F 36 XY -0.000000 0.000000 0.000000 0.000048 0.000119 419 F 36 XZ -0.000000 -0.000000 -0.000000 -0.000483 0.000087 420 F 36 YZ -0.000000 0.000000 -0.000000 -0.000963 0.000569 421 C 37 S 0.000003 -0.000004 0.000002 -0.000056 -0.000010 422 C 37 S 0.000000 -0.000006 0.000004 -0.000068 0.000028 423 C 37 S -0.000335 -0.000185 0.000090 0.003202 0.008051 424 C 37 X -0.000010 0.000003 0.000001 -0.000142 -0.000214 425 C 37 Y 0.000014 0.000007 -0.000004 0.000017 0.000006 426 C 37 Z -0.000005 0.000002 0.000001 -0.000046 -0.000008 427 C 37 X -0.000099 0.000038 -0.000073 0.000768 -0.000689 428 C 37 Y -0.000616 -0.000200 0.000135 -0.001543 0.002847 429 C 37 Z -0.000046 -0.000011 0.000044 -0.000219 0.000174 430 C 37 XX 0.000025 -0.000009 0.000007 0.000004 -0.000113 431 C 37 YY -0.000020 0.000007 -0.000005 0.000051 0.000134 432 C 37 ZZ -0.000005 0.000001 -0.000002 -0.000055 -0.000021 433 C 37 XY 0.000035 0.000004 -0.000000 0.000078 -0.000076 434 C 37 XZ 0.000006 -0.000002 -0.000001 0.000009 0.000055 435 C 37 YZ -0.000007 -0.000003 -0.000003 0.000031 -0.000032 436 S 38 S -0.000000 -0.000002 0.000000 0.000007 0.000001 437 S 38 S -0.000001 -0.000016 0.000002 0.000024 -0.000016 438 S 38 S -0.000003 -0.000017 0.000002 0.000458 0.000813 439 S 38 S -0.000090 0.000192 0.000001 -0.001112 0.001283 440 S 38 X -0.000002 0.000002 0.000001 0.000192 0.000183 441 S 38 Y 0.000004 -0.000004 0.000001 0.000018 -0.000082 442 S 38 Z 0.000000 -0.000000 -0.000000 -0.000022 0.000048 443 S 38 X -0.000003 0.000001 0.000001 0.000317 0.000045 444 S 38 Y 0.000017 -0.000019 0.000003 -0.000258 -0.000772 445 S 38 Z -0.000002 -0.000000 -0.000007 -0.000081 0.000144 446 S 38 X 0.000057 0.000050 -0.000028 -0.004156 -0.005977 447 S 38 Y 0.000114 -0.000052 -0.000015 -0.000978 -0.002581 448 S 38 Z 0.000016 -0.000007 0.000001 0.000187 -0.000281 449 S 38 XX 0.000010 -0.000003 0.000001 -0.000452 -0.000535 450 S 38 YY -0.000010 0.000007 -0.000002 0.000512 0.000724 451 S 38 ZZ 0.000000 -0.000004 0.000001 -0.000060 -0.000189 452 S 38 XY 0.000006 -0.000002 0.000002 0.000308 0.000685 453 S 38 XZ 0.000003 0.000003 0.000000 0.000035 0.000093 454 S 38 YZ 0.000000 0.000003 -0.000002 0.000017 -0.000026 455 S 38 XX -0.000001 0.000000 -0.000000 0.000025 0.000032 456 S 38 YY 0.000001 -0.000000 0.000000 -0.000016 -0.000020 457 S 38 ZZ 0.000000 0.000000 -0.000000 -0.000009 -0.000012 458 S 38 XY -0.000001 0.000000 -0.000000 -0.000001 -0.000007 459 S 38 XZ -0.000000 -0.000000 -0.000000 -0.000001 -0.000004 460 S 38 YZ -0.000000 -0.000000 0.000000 -0.000001 0.000000 461 H 39 S -0.000030 -0.000006 0.000008 -0.000361 -0.000214 462 H 39 S 0.000144 0.000026 0.000032 -0.000479 -0.000288 463 H 39 X -0.000009 -0.000008 0.000002 -0.000003 0.000026 464 H 39 Y 0.000021 0.000007 -0.000006 0.000045 -0.000074 465 H 39 Z 0.000003 0.000000 -0.000002 -0.000002 -0.000005 36 37 38 39 40 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S 0.000075 0.000027 -0.000258 0.000001 -0.003230 2 C 1 S 0.000167 0.000054 -0.000415 -0.000015 0.059634 3 C 1 S -0.000645 0.003329 -0.002499 -0.004326 0.035537 4 C 1 X 0.000073 -0.000194 0.000083 0.000048 -0.013875 5 C 1 Y 0.000230 0.000060 -0.000227 -0.000210 0.017600 6 C 1 Z -0.000001 0.000061 0.000004 0.000058 0.001849 7 C 1 X 0.000035 -0.000397 -0.000730 0.001950 0.003847 8 C 1 Y -0.005964 -0.000105 0.005348 0.004922 -0.004616 9 C 1 Z -0.000141 -0.000253 0.000376 -0.001047 -0.001200 10 C 1 XX -0.000048 0.000101 0.000114 0.000008 0.002598 11 C 1 YY 0.000009 -0.000090 0.000108 0.000056 0.001841 12 C 1 ZZ 0.000040 -0.000011 -0.000222 -0.000064 -0.004440 13 C 1 XY 0.000042 0.000012 -0.000163 -0.000028 -0.000537 14 C 1 XZ -0.000007 0.000008 -0.000025 0.000114 -0.000673 15 C 1 YZ -0.000002 -0.000022 0.000022 -0.000019 0.000289 16 C 2 S -0.000328 0.000473 -0.000214 0.000221 -0.004599 17 C 2 S 0.000130 0.000670 -0.000307 0.000077 0.074737 18 C 2 S 0.013686 -0.013851 0.006658 -0.001131 0.034524 19 C 2 X -0.000466 0.000200 -0.000091 -0.000048 0.012276 20 C 2 Y 0.000471 -0.000152 -0.000019 -0.000044 0.028908 21 C 2 Z 0.000120 0.000052 0.000145 -0.000147 -0.000011 22 C 2 X -0.002480 -0.001056 0.005704 0.006881 0.006664 23 C 2 Y 0.011444 -0.006443 0.002806 -0.005952 0.003453 24 C 2 Z 0.000620 0.000183 -0.000076 0.001281 -0.000342 25 C 2 XX -0.000101 -0.000150 -0.000110 0.000001 0.000511 26 C 2 YY 0.000332 -0.000078 0.000070 -0.000267 0.003104 27 C 2 ZZ -0.000231 0.000228 0.000040 0.000266 -0.003615 28 C 2 XY -0.000438 0.000186 0.000240 0.000432 -0.003095 29 C 2 XZ -0.000061 0.000031 0.000028 0.000043 -0.000634 30 C 2 YZ 0.000093 0.000082 -0.000033 0.000268 0.000231 31 C 3 S 0.000446 0.000439 -0.001020 -0.000767 -0.010204 32 C 3 S 0.002896 0.000447 -0.001376 -0.001373 0.142514 33 C 3 S -0.015356 -0.014156 0.043983 0.019138 0.084231 34 C 3 X -0.001703 0.000579 -0.000608 0.000383 -0.002279 35 C 3 Y -0.000179 0.000222 0.000301 0.000052 0.024714 36 C 3 Z 0.000216 0.000533 -0.000170 0.000631 0.001064 37 C 3 X 0.011804 0.007511 -0.038853 -0.018235 0.003503 38 C 3 Y 0.017507 -0.020007 0.016614 -0.002299 -0.001461 39 C 3 Z -0.000195 -0.001119 -0.000822 -0.001648 0.000443 40 C 3 XX -0.000103 -0.000473 0.001063 0.000058 0.006129 41 C 3 YY -0.000321 0.000106 -0.000301 0.000159 0.003475 42 C 3 ZZ 0.000425 0.000367 -0.000762 -0.000217 -0.009604 43 C 3 XY -0.000038 0.000314 -0.001204 -0.000545 -0.002409 44 C 3 XZ -0.000126 -0.000370 0.000327 -0.000726 0.001535 45 C 3 YZ -0.000051 0.000191 -0.000183 0.000519 0.001238 46 C 4 S -0.000121 -0.000083 -0.000215 -0.000401 -0.011107 47 C 4 S -0.000014 -0.000145 -0.000327 -0.000616 0.136879 48 C 4 S -0.008218 0.004645 0.005688 0.010767 0.117626 49 C 4 X 0.000212 -0.000265 -0.000012 -0.000191 -0.023087 50 C 4 Y -0.000215 -0.000074 0.000228 0.000076 0.005054 51 C 4 Z -0.000240 0.000002 0.000119 0.000127 -0.013021 52 C 4 X -0.000069 -0.003528 0.000605 -0.001837 -0.004551 53 C 4 Y 0.003910 -0.001285 -0.009850 -0.004318 0.004216 54 C 4 Z 0.006098 -0.001078 -0.003588 -0.004136 0.011286 55 C 4 XX 0.000301 0.000295 -0.000210 -0.000105 -0.000118 56 C 4 YY -0.000084 -0.000248 0.000257 0.000177 0.002459 57 C 4 ZZ -0.000217 -0.000047 -0.000047 -0.000072 -0.002341 58 C 4 XY 0.000092 0.000161 0.000104 0.000260 0.001434 59 C 4 XZ -0.000020 0.000049 -0.000032 0.000041 0.001304 60 C 4 YZ 0.000106 -0.000012 0.000101 -0.000111 -0.001609 61 S 5 S -0.000069 0.000032 0.000013 0.000047 -0.000039 62 S 5 S -0.000477 0.000229 0.000076 0.000323 -0.002274 63 S 5 S -0.000485 0.000260 0.000063 0.000346 0.071117 64 S 5 S 0.005063 -0.000679 -0.003795 -0.003826 0.051095 65 S 5 X -0.000124 0.000007 0.000142 0.000102 0.002633 66 S 5 Y 0.000006 -0.000002 -0.000009 -0.000013 -0.000159 67 S 5 Z 0.000001 0.000002 -0.000012 -0.000020 -0.000601 68 S 5 X -0.000419 0.000032 0.000407 0.000311 -0.028620 69 S 5 Y 0.000021 0.000008 -0.000024 -0.000028 0.002898 70 S 5 Z 0.000002 0.000007 -0.000034 -0.000065 0.004613 71 S 5 X -0.002059 0.000651 0.001322 0.001413 -0.008778 72 S 5 Y -0.000660 0.000696 -0.000055 0.000898 0.000026 73 S 5 Z 0.000169 0.000138 -0.000657 0.000125 0.001609 74 S 5 XX 0.000163 -0.000212 0.000023 -0.000093 0.005576 75 S 5 YY 0.000061 0.000124 0.000008 -0.000028 0.001248 76 S 5 ZZ -0.000224 0.000087 -0.000031 0.000121 -0.006824 77 S 5 XY -0.000001 -0.000058 0.000035 -0.000017 -0.002107 78 S 5 XZ -0.000017 -0.000001 0.000179 0.000012 -0.002806 79 S 5 YZ -0.000002 0.000023 -0.000040 -0.000064 0.001409 80 S 5 XX -0.000006 0.000010 -0.000003 0.000003 0.000724 81 S 5 YY -0.000003 -0.000006 -0.000000 0.000001 0.000306 82 S 5 ZZ 0.000009 -0.000004 0.000003 -0.000004 -0.001030 83 S 5 XY -0.000000 0.000003 -0.000001 0.000002 -0.000283 84 S 5 XZ 0.000000 -0.000000 -0.000009 0.000000 -0.000410 85 S 5 YZ 0.000000 -0.000001 0.000001 0.000004 0.000228 86 H 6 S 0.000224 -0.000104 0.000323 0.000104 0.018737 87 H 6 S 0.004409 -0.001778 0.002599 -0.002293 0.000006 88 H 6 X 0.000306 -0.000014 -0.000118 -0.000169 0.002083 89 H 6 Y 0.000107 0.000018 0.000036 -0.000166 0.002866 90 H 6 Z -0.000084 0.000029 -0.000021 0.000051 0.000034 91 C 7 S -0.000567 0.000588 -0.000157 -0.000577 -0.010314 92 C 7 S 0.000576 0.000386 -0.000968 -0.000849 0.149763 93 C 7 S 0.016305 -0.021964 -0.008900 0.021811 0.114139 94 C 7 X -0.001226 0.001002 0.001192 -0.000251 -0.000000 95 C 7 Y 0.000007 0.000084 0.000533 -0.000229 -0.027549 96 C 7 Z 0.000570 0.000322 0.000441 0.000029 -0.000724 97 C 7 X 0.004424 0.003750 -0.001900 -0.019020 0.001140 98 C 7 Y -0.014638 0.013250 0.002231 -0.008550 -0.010367 99 C 7 Z -0.002350 -0.001194 -0.002098 0.004440 0.000254 100 C 7 XX 0.000096 -0.000450 -0.000653 0.000405 0.006365 101 C 7 YY 0.000112 -0.000120 0.000071 -0.000002 0.004394 102 C 7 ZZ -0.000208 0.000570 0.000582 -0.000403 -0.010759 103 C 7 XY 0.000339 -0.000397 -0.000426 0.000881 0.002548 104 C 7 XZ 0.000024 -0.000024 -0.000213 -0.000212 -0.003482 105 C 7 YZ -0.000178 -0.000077 -0.000264 -0.000196 0.000509 106 C 8 S -0.000034 -0.000017 0.000169 -0.000168 -0.003684 107 C 8 S -0.000050 -0.000040 0.000274 -0.000278 0.068133 108 C 8 S -0.003761 0.002606 0.001483 0.002804 0.033968 109 C 8 X 0.000027 0.000007 -0.000063 0.000089 -0.010004 110 C 8 Y 0.000107 -0.000043 0.000042 0.000087 -0.022191 111 C 8 Z -0.000003 -0.000024 -0.000008 0.000028 -0.003433 112 C 8 X -0.001533 0.001119 0.005204 -0.000545 0.003277 113 C 8 Y 0.000980 -0.000868 -0.004075 -0.005579 0.014618 114 C 8 Z 0.000238 -0.000114 -0.000485 -0.000669 0.001487 115 C 8 XX 0.000105 -0.000048 -0.000261 -0.000003 0.002022 116 C 8 YY -0.000090 0.000049 0.000212 0.000143 0.002552 117 C 8 ZZ -0.000015 -0.000002 0.000049 -0.000141 -0.004574 118 C 8 XY 0.000048 -0.000132 -0.000172 0.000023 0.000126 119 C 8 XZ 0.000027 -0.000000 -0.000026 -0.000041 0.000289 120 C 8 YZ -0.000027 0.000003 0.000025 0.000041 0.001042 121 C 9 S 0.000032 -0.000205 -0.000085 -0.000174 -0.011112 122 C 9 S 0.000183 -0.000364 -0.000132 -0.000276 0.145694 123 C 9 S -0.009002 0.005355 0.003755 0.004730 0.097461 124 C 9 X 0.000251 -0.000228 -0.000073 -0.000027 -0.018337 125 C 9 Y 0.000181 0.000049 -0.000177 -0.000090 -0.000796 126 C 9 Z 0.000072 -0.000030 -0.000114 0.000012 0.016103 127 C 9 X 0.001851 -0.002693 -0.001588 -0.000802 -0.004635 128 C 9 Y -0.008360 0.001079 0.002970 0.007709 -0.006608 129 C 9 Z -0.003710 0.002794 0.006401 0.001301 -0.015792 130 C 9 XX -0.000053 0.000184 0.000074 0.000032 0.000043 131 C 9 YY 0.000120 -0.000047 -0.000033 0.000046 0.001802 132 C 9 ZZ -0.000067 -0.000136 -0.000040 -0.000078 -0.001846 133 C 9 XY -0.000082 -0.000016 -0.000139 -0.000048 -0.001136 134 C 9 XZ 0.000010 -0.000133 -0.000114 0.000014 -0.001326 135 C 9 YZ -0.000169 0.000060 0.000049 0.000107 -0.001447 136 C 10 S -0.000943 0.001283 -0.000178 -0.000326 -0.010146 137 C 10 S 0.008077 0.000920 0.002579 0.001408 0.163362 138 C 10 S 0.026492 -0.000897 -0.006555 -0.029783 0.078603 139 C 10 X -0.006984 -0.000213 -0.002412 -0.000158 0.017938 140 C 10 Y 0.002285 -0.000986 -0.001660 -0.000504 -0.016639 141 C 10 Z 0.001738 0.002262 0.004736 0.001179 -0.004811 142 C 10 X -0.029781 0.022055 0.010626 -0.012147 -0.013255 143 C 10 Y 0.005280 0.008247 0.003017 -0.017388 -0.013055 144 C 10 Z 0.005999 -0.002253 0.006026 0.000029 0.005101 145 C 10 XX 0.002262 -0.000125 0.001028 -0.000605 0.003837 146 C 10 YY -0.000312 -0.000182 -0.000655 0.000445 0.005858 147 C 10 ZZ -0.001950 0.000307 -0.000372 0.000159 -0.009695 148 C 10 XY -0.002514 0.001437 0.001836 -0.000719 0.003531 149 C 10 XZ -0.001534 -0.001392 -0.003910 0.000025 -0.001491 150 C 10 YZ 0.000159 -0.000244 0.000002 0.000639 -0.000278 151 C 11 S -0.001955 0.000553 -0.000071 0.000079 -0.009801 152 C 11 S 0.010424 -0.000022 0.001064 0.003158 0.157558 153 C 11 S 0.045280 0.012302 -0.041815 -0.023170 0.079597 154 C 11 X -0.010152 -0.000262 0.001050 -0.002388 0.014303 155 C 11 Y -0.005784 0.000487 0.000311 0.000414 0.021241 156 C 11 Z 0.000614 0.002117 -0.000953 0.005015 0.001096 157 C 11 X -0.020529 0.020254 -0.040730 -0.009147 0.006291 158 C 11 Y -0.023063 0.002559 0.025609 0.011700 0.004719 159 C 11 Z -0.000149 0.002285 -0.005039 0.003794 0.000020 160 C 11 XX 0.003272 0.000353 -0.001623 0.000938 0.004960 161 C 11 YY 0.000260 -0.000277 0.001091 -0.000347 0.004863 162 C 11 ZZ -0.003531 -0.000076 0.000532 -0.000591 -0.009824 163 C 11 XY 0.004112 -0.001130 0.001459 -0.000198 -0.003404 164 C 11 XZ -0.000513 -0.001022 0.001057 -0.003801 0.000450 165 C 11 YZ 0.000067 -0.000001 0.000140 -0.000653 -0.000627 166 C 12 S 0.000539 -0.001904 0.000563 -0.001223 0.000318 167 C 12 S 0.068096 -0.002652 0.012911 -0.000370 0.076916 168 C 12 S -0.060401 0.026142 0.004295 0.005987 0.024666 169 C 12 X -0.008838 -0.002476 -0.000745 0.000896 0.036954 170 C 12 Y 0.037462 -0.018650 -0.051518 -0.009930 -0.035579 171 C 12 Z 0.018697 0.041531 0.100986 0.013507 -0.015009 172 C 12 X -0.003073 0.000898 0.001236 0.006970 0.010570 173 C 12 Y 0.023107 -0.012588 -0.000448 -0.000636 -0.010896 174 C 12 Z 0.009813 0.007369 0.005102 -0.000355 -0.013527 175 C 12 XX -0.007912 0.000804 -0.001359 -0.000008 0.007044 176 C 12 YY 0.001137 -0.007996 -0.022282 -0.003843 -0.000966 177 C 12 ZZ 0.006776 0.007192 0.023641 0.003852 -0.006078 178 C 12 XY -0.007172 0.004103 0.006556 0.000683 -0.000108 179 C 12 XZ -0.003997 -0.005371 -0.013436 -0.001841 0.000088 180 C 12 YZ -0.007433 0.003668 0.016801 0.004065 0.002330 181 C 13 S -0.000740 0.000482 0.000446 0.000522 0.000725 182 C 13 S -0.082652 0.002862 0.003344 0.004428 0.058547 183 C 13 S 0.072700 -0.016285 0.001480 -0.000583 0.018997 184 C 13 X 0.050069 -0.066329 0.022415 0.028383 0.036202 185 C 13 Y -0.004002 -0.012902 0.004186 0.004564 0.001638 186 C 13 Z 0.035154 0.094587 -0.025315 -0.031945 0.017607 187 C 13 X 0.023148 -0.007927 -0.000839 -0.001949 0.006631 188 C 13 Y -0.004857 -0.000995 -0.004717 0.001018 -0.001703 189 C 13 Z 0.016996 0.006287 0.003063 0.004114 0.014061 190 C 13 XX -0.006376 0.027467 -0.008811 -0.011708 0.001603 191 C 13 YY 0.017797 -0.001431 -0.000916 -0.000404 0.002786 192 C 13 ZZ -0.011422 -0.026036 0.009727 0.012112 -0.004388 193 C 13 XY -0.003778 0.003061 -0.001439 -0.001093 -0.000284 194 C 13 XZ 0.007796 -0.009404 0.004956 0.007205 0.002480 195 C 13 YZ 0.002761 0.002055 0.001966 -0.002584 0.000882 196 C 14 S -0.000045 -0.001856 -0.000870 -0.000182 0.000379 197 C 14 S 0.103291 -0.003578 -0.004454 0.009777 0.074100 198 C 14 S -0.066011 0.023640 -0.007668 0.003482 0.030777 199 C 14 X -0.009452 -0.005944 0.004002 -0.012240 0.030210 200 C 14 Y -0.058089 0.007461 -0.004748 0.028136 0.041154 201 C 14 Z 0.012045 0.037470 -0.030930 0.107363 -0.004750 202 C 14 X -0.001325 -0.001331 0.004889 0.003064 0.011705 203 C 14 Y -0.025413 0.008957 -0.002627 -0.000351 0.015344 204 C 14 Z 0.007712 0.007117 -0.001997 0.008305 -0.008058 205 C 14 XX -0.013344 0.002029 0.000002 0.001076 0.006243 206 C 14 YY 0.000984 -0.005269 0.003969 -0.014200 -0.000133 207 C 14 ZZ 0.012361 0.003240 -0.003971 0.013124 -0.006110 208 C 14 XY 0.007684 -0.001255 -0.000116 0.000815 0.001462 209 C 14 XZ -0.005744 -0.004663 0.003920 -0.011654 0.001541 210 C 14 YZ 0.006773 -0.006191 0.006232 -0.028814 -0.000630 211 F 15 S -0.002550 -0.000977 -0.003922 -0.000325 -0.000328 212 F 15 S 0.139081 0.122705 0.340273 0.048102 -0.033302 213 F 15 S 0.159215 0.127988 0.374146 0.051326 -0.037750 214 F 15 X 0.006398 0.003315 0.012529 0.002271 0.010556 215 F 15 Y 0.000397 -0.005072 -0.009509 -0.001959 -0.009045 216 F 15 Z -0.024212 -0.014367 -0.036854 -0.004723 -0.014946 217 F 15 X 0.004051 0.000976 0.006586 0.000597 0.004812 218 F 15 Y -0.001277 -0.001777 -0.006315 -0.000623 -0.001619 219 F 15 Z -0.015571 -0.005757 -0.017138 -0.001159 -0.009577 220 F 15 XX -0.001378 -0.000611 -0.001724 -0.000233 -0.000309 221 F 15 YY -0.001551 -0.000765 -0.001977 -0.000195 -0.000533 222 F 15 ZZ 0.002929 0.001376 0.003701 0.000428 0.000842 223 F 15 XY -0.000085 -0.000022 -0.000419 -0.000107 -0.000227 224 F 15 XZ -0.001329 -0.000712 -0.002160 -0.000283 -0.000942 225 F 15 YZ 0.000027 0.000535 0.001655 0.000277 0.000644 226 F 16 S -0.002835 0.001272 0.003105 0.000360 -0.000102 227 F 16 S 0.151451 -0.112758 -0.295473 -0.051119 -0.028591 228 F 16 S 0.173547 -0.122183 -0.323082 -0.054884 -0.035584 229 F 16 X 0.007041 -0.004541 -0.010985 -0.001741 0.010862 230 F 16 Y -0.020465 0.012873 0.029296 0.004675 -0.014475 231 F 16 Z 0.015188 -0.002599 -0.008595 -0.002182 0.001651 232 F 16 X 0.003712 -0.002183 -0.005884 -0.001473 0.004353 233 F 16 Y -0.014244 0.007223 0.012621 0.001597 -0.007674 234 F 16 Z 0.008152 -0.000317 -0.002773 -0.000882 0.003650 235 F 16 XX -0.001338 0.000583 0.001127 0.000171 -0.000199 236 F 16 YY 0.001693 -0.001276 -0.002643 -0.000360 0.000776 237 F 16 ZZ -0.000356 0.000693 0.001516 0.000189 -0.000577 238 F 16 XY -0.001093 0.000750 0.001700 0.000256 -0.000834 239 F 16 XZ 0.000736 -0.000356 -0.000727 -0.000110 0.000329 240 F 16 YZ -0.002552 0.000658 0.001823 0.000372 -0.000438 241 F 17 S -0.004211 0.001216 -0.001032 0.003019 -0.000048 242 F 17 S 0.225482 -0.096862 0.074931 -0.301563 -0.027115 243 F 17 S 0.258269 -0.106010 0.083459 -0.328714 -0.034106 244 F 17 X 0.004288 -0.001900 0.001537 -0.005938 0.007651 245 F 17 Y 0.026739 -0.010978 0.007593 -0.027903 0.014453 246 F 17 Z 0.029008 -0.004747 0.003240 -0.015755 0.005310 247 F 17 X 0.001671 -0.000407 0.000477 -0.003648 0.002383 248 F 17 Y 0.017802 -0.006525 0.004250 -0.011778 0.006708 249 F 17 Z 0.016917 -0.001730 0.001222 -0.006245 0.005061 250 F 17 XX -0.002422 0.000691 -0.000440 0.001575 -0.000395 251 F 17 YY 0.001306 -0.000946 0.000660 -0.002043 0.000671 252 F 17 ZZ 0.001116 0.000256 -0.000220 0.000468 -0.000277 253 F 17 XY 0.000500 -0.000222 0.000185 -0.000743 0.000495 254 F 17 XZ 0.000543 -0.000290 0.000190 -0.000614 0.000368 255 F 17 YZ 0.004393 -0.001010 0.000735 -0.002902 0.000780 256 F 18 S -0.003660 -0.000858 0.001217 -0.003639 -0.000312 257 F 18 S 0.205589 0.100388 -0.095695 0.333294 -0.031695 258 F 18 S 0.233371 0.104942 -0.105494 0.364401 -0.036165 259 F 18 X 0.010617 0.002314 -0.003045 0.012284 0.009196 260 F 18 Y 0.008833 0.007412 -0.004995 0.018823 0.012444 261 F 18 Z -0.034933 -0.010396 0.009829 -0.031617 -0.011247 262 F 18 X 0.006351 0.000390 -0.001623 0.005877 0.004956 263 F 18 Y 0.006423 0.002538 -0.002973 0.009885 0.004279 264 F 18 Z -0.021541 -0.004286 0.004901 -0.013656 -0.008024 265 F 18 XX -0.001962 -0.000467 0.000461 -0.001643 -0.000275 266 F 18 YY -0.001833 -0.000347 0.000331 -0.000803 -0.000124 267 F 18 ZZ 0.003795 0.000814 -0.000793 0.002447 0.000398 268 F 18 XY 0.000617 0.000144 -0.000219 0.000942 0.000466 269 F 18 XZ -0.002086 -0.000553 0.000571 -0.001895 -0.000757 270 F 18 YZ -0.001973 -0.000921 0.000863 -0.003022 -0.000946 271 C 19 S -0.000136 0.000063 0.000055 -0.000091 -0.000685 272 C 19 S -0.000234 0.000109 0.000098 -0.000154 0.019487 273 C 19 S 0.001192 -0.000589 0.000217 0.002909 -0.004031 274 C 19 X -0.000000 -0.000013 -0.000055 -0.000045 -0.005484 275 C 19 Y -0.000018 0.000008 -0.000033 -0.000040 -0.008466 276 C 19 Z 0.000001 -0.000000 -0.000011 0.000002 -0.001223 277 C 19 X -0.000338 0.000148 -0.000698 -0.000932 0.004295 278 C 19 Y -0.000914 0.000402 0.000678 -0.000816 0.003405 279 C 19 Z -0.000181 0.000118 0.000198 -0.000263 0.000537 280 C 19 XX -0.000038 0.000016 0.000148 0.000049 -0.000359 281 C 19 YY 0.000074 -0.000019 -0.000120 -0.000038 0.001150 282 C 19 ZZ -0.000036 0.000002 -0.000028 -0.000011 -0.000791 283 C 19 XY 0.000043 -0.000007 0.000068 0.000031 0.001510 284 C 19 XZ 0.000011 -0.000000 0.000012 0.000005 0.000205 285 C 19 YZ 0.000025 -0.000002 -0.000012 -0.000015 0.000311 286 H 20 S -0.000045 0.000003 -0.000045 -0.000110 0.006260 287 H 20 S 0.000119 0.000002 0.000190 0.000186 -0.000956 288 H 20 X -0.000031 0.000012 0.000082 0.000029 -0.001156 289 H 20 Y -0.000006 0.000004 0.000034 0.000006 -0.000082 290 H 20 Z 0.000003 -0.000002 -0.000001 0.000009 -0.000058 291 H 21 S -0.000103 0.000064 0.000071 -0.000072 0.006313 292 H 21 S 0.000186 -0.000052 -0.000208 -0.000148 -0.000428 293 H 21 X 0.000015 -0.000010 -0.000015 -0.000014 -0.000072 294 H 21 Y 0.000027 -0.000018 -0.000072 -0.000006 -0.000636 295 H 21 Z 0.000025 -0.000006 -0.000025 -0.000021 0.000730 296 C 22 S -0.000046 0.000114 -0.000164 -0.000008 -0.000606 297 C 22 S -0.000087 0.000196 -0.000279 -0.000003 0.016503 298 C 22 S -0.002605 -0.001215 0.004288 0.002684 -0.001198 299 C 22 X 0.000083 -0.000021 -0.000042 -0.000073 -0.003969 300 C 22 Y -0.000099 -0.000037 0.000087 0.000118 0.007745 301 C 22 Z -0.000009 -0.000004 0.000008 0.000001 0.000585 302 C 22 X 0.000341 0.000743 -0.001078 -0.000738 0.001046 303 C 22 Y -0.000922 -0.000388 0.001292 0.000881 -0.003286 304 C 22 Z -0.000087 0.000026 0.000052 0.000342 0.000294 305 C 22 XX 0.000023 -0.000021 0.000023 -0.000014 -0.000339 306 C 22 YY 0.000063 -0.000024 -0.000040 -0.000059 0.000971 307 C 22 ZZ -0.000086 0.000045 0.000017 0.000073 -0.000632 308 C 22 XY 0.000074 0.000037 -0.000048 -0.000112 -0.001307 309 C 22 XZ 0.000002 0.000006 -0.000001 -0.000017 -0.000043 310 C 22 YZ 0.000000 -0.000000 -0.000003 0.000036 0.000182 311 H 23 S -0.000022 0.000138 -0.000121 -0.000033 0.005432 312 H 23 S -0.000158 0.000088 -0.000339 0.000058 -0.000323 313 H 23 X -0.000036 0.000020 -0.000016 0.000027 0.000489 314 H 23 Y -0.000023 -0.000013 -0.000007 0.000046 0.000858 315 H 23 Z 0.000003 -0.000008 0.000003 -0.000018 0.000005 316 H 24 S 0.000097 0.000014 -0.000156 -0.000124 0.005117 317 H 24 S 0.000003 -0.000090 0.000131 0.000053 -0.000523 318 H 24 X 0.000005 -0.000032 0.000021 0.000009 -0.000435 319 H 24 Y -0.000009 0.000010 0.000010 0.000016 0.000319 320 H 24 Z -0.000039 0.000018 0.000022 0.000017 -0.000591 321 H 25 S 0.000094 0.000029 -0.000149 -0.000090 0.005303 322 H 25 S 0.000036 -0.000066 -0.000000 -0.000005 -0.000295 323 H 25 X 0.000002 -0.000033 0.000028 0.000034 -0.000426 324 H 25 Y -0.000007 0.000005 0.000005 -0.000027 0.000245 325 H 25 Z 0.000042 -0.000016 -0.000027 -0.000042 0.000663 326 C 26 S 0.000071 -0.000175 -0.000115 -0.000020 -0.001876 327 C 26 S 0.000144 -0.000313 -0.000198 -0.000036 0.056735 328 C 26 S -0.001880 0.002110 0.003411 0.000179 0.006539 329 C 26 X 0.000042 0.000009 0.000031 0.000023 -0.002678 330 C 26 Y 0.000039 0.000011 -0.000011 0.000003 0.003954 331 C 26 Z -0.000035 0.000021 0.000111 -0.000024 0.028876 332 C 26 X -0.000489 -0.000210 0.000199 0.000201 0.001053 333 C 26 Y 0.000186 -0.000222 0.000243 -0.000427 -0.001251 334 C 26 Z -0.001396 0.000594 0.001871 0.001401 -0.009351 335 C 26 XX -0.000047 0.000071 -0.000044 -0.000131 -0.002656 336 C 26 YY 0.000099 -0.000062 -0.000063 -0.000042 -0.002494 337 C 26 ZZ -0.000052 -0.000009 0.000107 0.000173 0.005150 338 C 26 XY 0.000206 0.000014 -0.000012 -0.000075 0.000176 339 C 26 XZ 0.000177 -0.000053 0.000000 0.000006 0.000033 340 C 26 YZ 0.000201 0.000048 -0.000015 -0.000144 0.001452 341 H 27 S 0.000037 -0.000104 -0.000197 -0.000053 0.021395 342 H 27 S -0.000658 -0.000731 0.000639 0.001202 -0.004645 343 H 27 X -0.000242 -0.000023 0.000039 0.000084 0.001849 344 H 27 Y -0.000089 -0.000076 0.000055 0.000103 0.001766 345 H 27 Z 0.000050 -0.000039 -0.000014 0.000096 0.000960 346 H 28 S 0.000178 -0.000057 -0.000160 0.000023 0.018498 347 H 28 S -0.000360 -0.000033 0.000146 0.000649 -0.003277 348 H 28 X 0.000061 0.000031 0.000020 -0.000037 0.000216 349 H 28 Y 0.000006 -0.000022 -0.000009 0.000011 -0.002175 350 H 28 Z 0.000078 -0.000037 -0.000040 -0.000022 0.001664 351 H 29 S 0.000214 -0.000131 -0.000058 0.000079 0.016521 352 H 29 S -0.000039 0.000152 0.000036 0.000131 -0.000876 353 H 29 X -0.000058 0.000047 -0.000005 -0.000042 -0.002314 354 H 29 Y 0.000034 0.000003 -0.000003 0.000046 0.000938 355 H 29 Z -0.000008 0.000034 0.000016 0.000004 0.001678 356 C 30 S 0.000042 -0.000044 0.000070 0.000039 -0.001684 357 C 30 S 0.000098 -0.000079 0.000134 0.000104 0.056579 358 C 30 S -0.003437 0.000318 0.001405 0.001189 0.005955 359 C 30 X 0.000071 -0.000001 -0.000031 -0.000078 -0.004706 360 C 30 Y 0.000042 0.000032 0.000024 -0.000011 -0.003784 361 C 30 Z 0.000137 0.000022 -0.000097 -0.000068 -0.028181 362 C 30 X -0.000235 0.000321 0.000547 0.000831 0.000706 363 C 30 Y -0.000022 -0.000367 0.000260 0.000345 0.003000 364 C 30 Z 0.001352 -0.000347 -0.001252 -0.000672 0.010656 365 C 30 XX 0.000023 0.000113 -0.000189 -0.000051 -0.002403 366 C 30 YY -0.000004 -0.000074 0.000041 0.000011 -0.002422 367 C 30 ZZ -0.000019 -0.000039 0.000148 0.000040 0.004825 368 C 30 XY -0.000109 0.000110 0.000063 0.000110 -0.000016 369 C 30 XZ -0.000168 0.000071 0.000076 0.000052 0.000627 370 C 30 YZ 0.000079 0.000032 -0.000237 -0.000091 0.001354 371 H 31 S 0.000093 -0.000050 -0.000069 0.000033 0.017917 372 H 31 S -0.000076 -0.000192 0.000274 0.000395 -0.002300 373 H 31 X 0.000047 -0.000007 -0.000100 -0.000093 -0.000360 374 H 31 Y 0.000058 0.000053 -0.000107 -0.000039 0.002032 375 H 31 Z 0.000014 0.000049 0.000022 -0.000044 -0.001838 376 H 32 S 0.000061 -0.000056 0.000081 0.000156 0.021892 377 H 32 S 0.000006 0.000539 0.000942 0.000411 -0.006862 378 H 32 X -0.000117 0.000140 0.000238 0.000063 0.002082 379 H 32 Y 0.000035 0.000007 -0.000133 -0.000078 -0.001366 380 H 32 Z -0.000048 0.000049 -0.000029 0.000002 -0.001018 381 H 33 S 0.000256 -0.000068 0.000018 -0.000095 0.016801 382 H 33 S 0.000179 0.000165 -0.000110 -0.000517 -0.001164 383 H 33 X -0.000057 0.000023 -0.000035 0.000029 -0.002118 384 H 33 Y -0.000055 0.000049 -0.000020 0.000034 -0.001396 385 H 33 Z 0.000002 -0.000024 -0.000037 -0.000025 -0.001519 386 H 34 S -0.000090 0.000066 0.000068 -0.000047 0.006329 387 H 34 S 0.000206 -0.000161 -0.000421 0.000076 -0.000486 388 H 34 X 0.000022 -0.000013 -0.000022 -0.000008 0.000005 389 H 34 Y 0.000037 -0.000012 -0.000065 -0.000031 -0.000470 390 H 34 Z -0.000012 0.000007 0.000015 0.000003 -0.000853 391 F 35 S 0.003630 -0.003356 0.000963 0.001101 0.000030 392 F 35 S -0.190415 0.303748 -0.095620 -0.122803 -0.016804 393 F 35 S -0.219585 0.330471 -0.104766 -0.133696 -0.022369 394 F 35 X -0.029560 0.037296 -0.010333 -0.012716 0.011174 395 F 35 Y -0.003948 0.002931 -0.000118 -0.001826 0.000718 396 F 35 Z 0.015805 -0.005254 0.002702 0.003560 0.001014 397 F 35 X -0.019573 0.017286 -0.004275 -0.004859 0.005611 398 F 35 Y -0.001807 0.001183 0.001096 -0.001358 0.000679 399 F 35 Z 0.008651 -0.000891 0.001011 0.001214 -0.001445 400 F 35 XX -0.003131 0.004155 -0.001093 -0.001324 0.000826 401 F 35 YY 0.002037 -0.002012 0.000527 0.000677 -0.000342 402 F 35 ZZ 0.001095 -0.002143 0.000566 0.000647 -0.000484 403 F 35 XY -0.000711 0.000588 -0.000055 -0.000291 0.000109 404 F 35 XZ 0.002892 -0.001313 0.000488 0.000626 -0.000057 405 F 35 YZ 0.000283 -0.000069 0.000152 -0.000050 0.000008 406 F 36 S 0.003158 0.003205 -0.001229 -0.001524 -0.000171 407 F 36 S -0.192650 -0.305519 0.097554 0.126207 -0.027610 408 F 36 S -0.217916 -0.330261 0.109534 0.141591 -0.031907 409 F 36 X 0.003510 -0.008074 0.002298 0.002440 0.009818 410 F 36 Y 0.002556 0.002585 -0.002845 0.000434 -0.000394 411 F 36 Z -0.033136 -0.036100 0.010603 0.013793 0.015238 412 F 36 X 0.000874 -0.005206 0.002044 0.002399 0.002198 413 F 36 Y 0.001732 0.001029 -0.001743 0.000729 -0.000581 414 F 36 Z -0.020923 -0.016080 0.004855 0.006368 0.008892 415 F 36 XX 0.001981 0.002059 -0.000556 -0.000694 -0.000446 416 F 36 YY 0.002209 0.001894 -0.000674 -0.000898 -0.000562 417 F 36 ZZ -0.004190 -0.003954 0.001231 0.001592 0.001008 418 F 36 XY -0.000110 0.000108 -0.000088 0.000010 -0.000045 419 F 36 XZ 0.000566 -0.001157 0.000482 0.000629 0.000646 420 F 36 YZ 0.000630 0.000527 -0.000205 -0.000173 -0.000104 421 C 37 S -0.000331 0.000111 0.000099 -0.000021 -0.006174 422 C 37 S -0.000517 0.000151 0.000125 -0.000051 0.079838 423 C 37 S 0.007913 -0.002928 -0.006915 -0.006851 0.058976 424 C 37 X -0.000072 0.000032 0.000143 0.000112 -0.032581 425 C 37 Y -0.000148 0.000085 0.000082 0.000004 -0.003192 426 C 37 Z -0.000010 -0.000028 -0.000121 0.000032 -0.002613 427 C 37 X -0.004259 0.001982 0.001164 0.002450 -0.019047 428 C 37 Y 0.000895 -0.001790 -0.003957 -0.002025 0.004879 429 C 37 Z -0.000336 -0.000448 -0.000732 0.000533 0.001054 430 C 37 XX 0.000155 -0.000074 -0.000041 0.000066 0.000734 431 C 37 YY 0.000083 -0.000079 -0.000148 -0.000030 0.003923 432 C 37 ZZ -0.000238 0.000153 0.000189 -0.000036 -0.004657 433 C 37 XY 0.000140 -0.000050 0.000004 0.000046 0.003169 434 C 37 XZ 0.000083 0.000014 0.000079 -0.000096 0.000841 435 C 37 YZ 0.000018 0.000022 0.000035 -0.000081 0.001643 436 S 38 S -0.000076 0.000080 0.000006 0.000012 0.000156 437 S 38 S -0.000554 0.000581 0.000100 0.000086 -0.001127 438 S 38 S -0.000141 0.000420 -0.000405 -0.000002 0.085432 439 S 38 S 0.005817 -0.004747 0.001978 0.001210 0.058972 440 S 38 X 0.000055 -0.000075 -0.000314 -0.000028 -0.001335 441 S 38 Y -0.000112 0.000058 -0.000128 -0.000063 0.002785 442 S 38 Z 0.000057 -0.000022 -0.000062 -0.000033 0.000008 443 S 38 X -0.000131 -0.000042 -0.000494 0.000006 0.014398 444 S 38 Y -0.000639 0.000309 -0.000125 -0.000134 -0.031273 445 S 38 Z 0.000206 -0.000032 -0.000034 -0.000149 -0.000943 446 S 38 X -0.001738 0.001048 0.006163 0.002110 0.005644 447 S 38 Y -0.002993 0.002356 0.001210 0.000309 -0.008645 448 S 38 Z -0.000314 0.000494 0.001106 -0.000345 0.000017 449 S 38 XX -0.000163 0.000001 0.000169 -0.000065 0.001056 450 S 38 YY 0.000335 -0.000125 -0.000160 -0.000047 0.007601 451 S 38 ZZ -0.000171 0.000125 -0.000009 0.000112 -0.008657 452 S 38 XY 0.000302 -0.000164 -0.000455 -0.000391 -0.001047 453 S 38 XZ 0.000049 -0.000011 0.000014 -0.000008 0.000144 454 S 38 YZ -0.000078 -0.000136 -0.000208 0.000189 0.000323 455 S 38 XX 0.000010 -0.000003 -0.000019 -0.000000 0.000088 456 S 38 YY -0.000004 0.000002 0.000005 0.000004 0.001298 457 S 38 ZZ -0.000005 0.000001 0.000014 -0.000003 -0.001386 458 S 38 XY 0.000000 0.000002 0.000009 0.000014 -0.000095 459 S 38 XZ -0.000003 -0.000002 -0.000006 -0.000000 0.000011 460 S 38 YZ 0.000004 0.000004 0.000007 -0.000011 0.000092 461 H 39 S 0.000010 -0.000112 0.000123 -0.000026 0.020732 462 H 39 S 0.001256 -0.000725 -0.000389 -0.000638 0.004841 463 H 39 X 0.000088 -0.000036 -0.000025 -0.000013 -0.003557 464 H 39 Y -0.000002 0.000049 0.000135 0.000057 0.000252 465 H 39 Z 0.000029 0.000014 0.000004 -0.000032 0.000054 41 42 43 44 45 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S 0.001641 -0.010821 -0.010885 -0.007639 0.005153 2 C 1 S -0.020909 0.174656 0.172118 0.113512 -0.067465 3 C 1 S -0.016388 0.126505 0.150069 0.108983 -0.089955 4 C 1 X -0.001619 -0.033149 -0.021573 -0.002963 -0.043166 5 C 1 Y -0.006149 0.031630 -0.009184 -0.025737 0.003727 6 C 1 Z -0.000323 0.003799 0.000342 -0.001836 0.002951 7 C 1 X 0.003050 0.002215 -0.000105 0.001002 0.000876 8 C 1 Y -0.000490 -0.007558 -0.020058 -0.021955 0.002481 9 C 1 Z -0.000623 -0.001159 -0.000689 0.000758 0.000168 10 C 1 XX -0.000650 0.007868 0.006952 0.003547 0.001097 11 C 1 YY -0.001356 0.005222 0.004968 0.004340 -0.007025 12 C 1 ZZ 0.002006 -0.013091 -0.011920 -0.007888 0.005929 13 C 1 XY -0.001253 -0.001606 -0.004320 -0.003864 -0.004429 14 C 1 XZ 0.000242 -0.001958 -0.001819 -0.001264 0.000359 15 C 1 YZ -0.000064 0.000965 0.001198 0.000947 -0.000260 16 C 2 S 0.000541 -0.010877 -0.007014 -0.003619 -0.006008 17 C 2 S -0.002636 0.168564 0.117274 0.044490 0.066965 18 C 2 S -0.013800 0.097282 0.058836 0.031079 0.079381 19 C 2 X -0.011665 0.050992 0.055857 0.040875 -0.039855 20 C 2 Y 0.003678 0.036714 -0.013095 -0.029260 0.048030 21 C 2 Z 0.000167 -0.001723 -0.005376 -0.004871 0.003378 22 C 2 X -0.001058 0.015097 0.006510 0.001494 0.016485 23 C 2 Y -0.011491 0.019864 0.007933 0.011784 0.015040 24 C 2 Z 0.000074 0.000196 0.000799 -0.001424 -0.000037 25 C 2 XX -0.000640 0.005222 0.008534 0.006609 -0.004084 26 C 2 YY 0.000340 0.002488 -0.004405 -0.005344 0.008061 27 C 2 ZZ 0.000300 -0.007709 -0.004129 -0.001265 -0.003977 28 C 2 XY -0.002352 -0.003519 -0.003341 -0.002043 -0.006421 29 C 2 XZ -0.000019 -0.001240 -0.000953 -0.000522 -0.000286 30 C 2 YZ -0.000004 0.000615 0.000208 -0.000363 0.000638 31 C 3 S -0.002808 -0.010544 0.001769 0.004393 -0.012230 32 C 3 S 0.028405 0.143893 -0.030940 -0.060344 0.179432 33 C 3 S 0.016546 0.118476 -0.031334 -0.047048 0.148505 34 C 3 X -0.043498 0.040131 0.004734 0.003316 -0.075502 35 C 3 Y 0.007467 -0.028594 -0.067498 -0.023992 0.002637 36 C 3 Z -0.002113 0.003029 -0.005991 -0.006608 -0.002751 37 C 3 X 0.014953 -0.031921 0.006093 0.003078 -0.040673 38 C 3 Y -0.017801 0.008981 -0.017931 0.006994 0.018354 39 C 3 Z -0.001353 -0.000736 -0.000963 0.004125 0.001009 40 C 3 XX 0.002082 0.003491 -0.004500 -0.005558 0.005927 41 C 3 YY -0.001229 0.006970 0.003116 0.002885 0.003477 42 C 3 ZZ -0.000852 -0.010461 0.001384 0.002673 -0.009404 43 C 3 XY -0.005348 -0.002582 -0.006168 -0.006031 -0.011687 44 C 3 XZ 0.000118 0.001473 -0.001423 -0.001283 0.000859 45 C 3 YZ -0.000429 0.001804 -0.000407 -0.000522 0.000131 46 C 4 S 0.005844 -0.010731 0.008790 0.006753 0.003694 47 C 4 S -0.063029 0.114944 -0.114182 -0.093905 -0.054793 48 C 4 S -0.066617 0.115476 -0.106820 -0.093696 -0.047598 49 C 4 X -0.011114 -0.006159 0.022179 0.004034 -0.059042 50 C 4 Y -0.022293 -0.048630 -0.038848 -0.003413 -0.036586 51 C 4 Z 0.008596 0.002498 -0.000160 -0.015049 0.006716 52 C 4 X -0.000324 -0.003026 0.009682 0.005101 -0.032543 53 C 4 Y -0.003353 -0.030374 -0.019088 0.003117 -0.012057 54 C 4 Z 0.002236 0.006404 -0.014798 -0.016576 -0.006819 55 C 4 XX 0.003861 0.003780 0.003371 0.000593 0.005756 56 C 4 YY -0.004136 -0.000492 0.000346 0.002145 -0.002772 57 C 4 ZZ 0.000275 -0.003288 -0.003717 -0.002737 -0.002984 58 C 4 XY 0.002180 0.001372 -0.001380 -0.002564 0.010608 59 C 4 XZ 0.000719 -0.000459 -0.002039 0.000340 0.003635 60 C 4 YZ 0.002800 0.005289 0.004166 -0.000627 0.003106 61 S 5 S 0.000040 -0.000118 0.000013 -0.000080 -0.000085 62 S 5 S 0.001318 -0.004506 -0.000949 -0.000709 0.001538 63 S 5 S -0.042464 0.150625 0.054394 0.007575 -0.132350 64 S 5 S -0.032223 0.109879 0.042037 0.010693 -0.103235 65 S 5 X -0.001304 0.004885 0.000905 -0.000304 -0.002217 66 S 5 Y 0.000246 0.001286 0.003082 0.002319 -0.000626 67 S 5 Z 0.000266 -0.000973 0.000183 0.000507 0.000506 68 S 5 X 0.013541 -0.051274 -0.009350 0.003305 0.023322 69 S 5 Y -0.004777 -0.020087 -0.046704 -0.036537 0.004566 70 S 5 Z -0.002396 0.008056 -0.003334 -0.005876 -0.003877 71 S 5 X 0.004176 -0.014954 -0.002440 -0.000661 0.005197 72 S 5 Y 0.000676 -0.003225 -0.012687 -0.010676 0.005027 73 S 5 Z -0.000300 0.002744 0.000182 -0.001645 -0.000237 74 S 5 XX -0.002025 0.008125 -0.002194 -0.003449 -0.000596 75 S 5 YY -0.001377 0.004850 0.006657 0.004946 -0.005986 76 S 5 ZZ 0.003402 -0.012975 -0.004463 -0.001497 0.006581 77 S 5 XY 0.002056 0.005925 0.017468 0.012875 -0.000232 78 S 5 XZ 0.001333 -0.004303 0.001293 0.002382 0.001926 79 S 5 YZ -0.000982 0.001774 -0.001603 -0.001927 -0.001322 80 S 5 XX -0.000231 0.001144 -0.000246 -0.000544 0.000085 81 S 5 YY -0.000289 0.000883 0.001080 0.000829 -0.001276 82 S 5 ZZ 0.000520 -0.002026 -0.000833 -0.000285 0.001190 83 S 5 XY 0.000326 0.000926 0.002605 0.001966 -0.000024 84 S 5 XZ 0.000215 -0.000684 0.000215 0.000411 0.000359 85 S 5 YZ -0.000132 0.000329 -0.000237 -0.000320 -0.000275 86 H 6 S 0.001559 0.045432 0.040608 0.019170 0.029878 87 H 6 S -0.003941 0.005423 0.003474 0.005816 0.005925 88 H 6 X -0.000056 0.005743 0.005762 0.003648 0.001630 89 H 6 Y 0.000698 0.005297 0.003712 0.001092 0.004565 90 H 6 Z 0.000022 0.000041 -0.000013 -0.000008 0.000198 91 C 7 S 0.003915 0.008191 0.002599 -0.011696 -0.000817 92 C 7 S -0.057806 -0.109426 -0.051120 0.194144 0.016557 93 C 7 S -0.065291 -0.098486 -0.049314 0.164311 0.022011 94 C 7 X -0.059284 0.004866 -0.002925 -0.070343 -0.035158 95 C 7 Y -0.027629 -0.011829 0.061973 -0.009061 0.012249 96 C 7 Z 0.008506 0.001085 0.003190 0.008215 0.011712 97 C 7 X 0.004151 0.006095 0.000300 -0.017046 -0.009645 98 C 7 Y 0.012346 -0.002432 0.022785 -0.002627 0.003541 99 C 7 Z -0.000258 -0.000420 -0.002332 0.005454 0.002824 100 C 7 XX -0.001068 -0.002850 -0.006020 0.003504 -0.006340 101 C 7 YY -0.005085 -0.005296 0.004110 0.007142 0.007449 102 C 7 ZZ 0.006154 0.008146 0.001909 -0.010647 -0.001109 103 C 7 XY 0.004245 -0.003650 0.002216 0.008487 0.006905 104 C 7 XZ 0.002467 0.002164 0.002585 -0.003244 0.000599 105 C 7 YZ -0.001064 -0.000283 0.000134 -0.001197 -0.001445 106 C 8 S 0.008672 0.006958 -0.011736 0.006697 -0.005285 107 C 8 S -0.135831 -0.107494 0.175967 -0.106869 0.069809 108 C 8 S -0.096990 -0.087328 0.166785 -0.083774 0.090546 109 C 8 X 0.007703 0.012283 0.004240 -0.049572 -0.004164 110 C 8 Y 0.034141 0.020707 0.005274 0.008768 0.032160 111 C 8 Z 0.005606 0.003778 0.000148 0.000369 0.004737 112 C 8 X -0.001959 -0.006087 0.012951 -0.017738 0.004233 113 C 8 Y -0.007277 -0.002014 0.008052 -0.018860 0.002520 114 C 8 Z -0.000342 0.000514 0.000062 -0.002966 -0.000529 115 C 8 XX -0.003082 -0.004404 0.005680 0.005425 0.005048 116 C 8 YY -0.006378 -0.003579 0.007001 -0.011232 0.001067 117 C 8 ZZ 0.009460 0.007983 -0.012680 0.005806 -0.006115 118 C 8 XY 0.000006 0.000417 0.001453 -0.001929 0.002124 119 C 8 XZ -0.000430 -0.000447 0.001015 -0.000233 0.000833 120 C 8 YZ -0.002345 -0.001665 0.002901 -0.002536 0.000953 121 C 9 S 0.010584 0.003314 0.008284 0.002044 0.008610 122 C 9 S -0.131673 -0.041182 -0.109100 -0.025554 -0.111655 123 C 9 S -0.100495 -0.022904 -0.090235 -0.023344 -0.103934 124 C 9 X -0.010325 0.010824 0.022960 -0.060288 -0.023360 125 C 9 Y -0.023879 -0.050804 0.043442 0.020029 0.008309 126 C 9 Z -0.006548 0.005557 -0.004248 -0.007920 0.011973 127 C 9 X -0.004977 0.005340 0.007391 -0.026093 -0.003307 128 C 9 Y -0.013185 -0.011458 0.020188 0.008498 0.013573 129 C 9 Z 0.007249 0.010587 0.016420 -0.002752 0.017232 130 C 9 XX 0.001078 -0.004690 0.001408 0.007684 0.002856 131 C 9 YY -0.003273 0.002729 0.002536 -0.006428 0.000930 132 C 9 ZZ 0.002196 0.001961 -0.003944 -0.001256 -0.003786 133 C 9 XY -0.002247 -0.000184 0.003520 -0.009003 -0.001450 134 C 9 XZ -0.001044 0.000727 0.001398 -0.003742 -0.002104 135 C 9 YZ -0.001856 -0.005623 0.004810 0.003204 0.000852 136 C 10 S -0.007696 0.006277 0.002058 -0.010007 -0.004101 137 C 10 S 0.124899 -0.093951 -0.033140 0.162626 0.023627 138 C 10 S 0.084935 -0.062971 -0.016431 0.103680 0.034484 139 C 10 X -0.052997 0.002355 -0.052034 0.052906 0.057405 140 C 10 Y -0.045153 -0.017060 0.000300 0.072814 -0.036935 141 C 10 Z 0.002195 0.004038 0.003949 -0.008430 0.000095 142 C 10 X 0.021179 0.016601 0.013503 -0.012446 -0.002318 143 C 10 Y -0.001689 0.021755 0.001587 0.004464 -0.019396 144 C 10 Z 0.000645 -0.003197 0.001585 -0.001951 -0.002932 145 C 10 XX 0.004319 -0.004429 0.000012 0.007245 -0.010565 146 C 10 YY 0.005373 -0.001335 -0.000559 -0.000200 0.011272 147 C 10 ZZ -0.009693 0.005764 0.000547 -0.007046 -0.000707 148 C 10 XY -0.000101 -0.005304 0.000059 0.006533 -0.000883 149 C 10 XZ -0.001670 0.001058 0.000599 -0.002169 0.000496 150 C 10 YZ 0.000917 0.000070 0.000625 -0.001399 -0.000885 151 C 11 S -0.009851 -0.000258 0.001407 0.001326 -0.010131 152 C 11 S 0.151008 0.000480 -0.024080 -0.054567 0.167390 153 C 11 S 0.103120 -0.017129 -0.014440 -0.028096 0.074225 154 C 11 X -0.041945 0.043732 -0.047822 0.019752 0.073855 155 C 11 Y 0.020749 -0.039321 -0.012416 0.061368 -0.038065 156 C 11 Z -0.000356 0.003002 -0.002550 -0.000808 0.006558 157 C 11 X 0.014159 -0.033415 0.006743 -0.001020 -0.014840 158 C 11 Y 0.004237 0.023161 -0.006928 0.009606 0.002076 159 C 11 Z 0.004625 -0.002728 0.001366 -0.003195 -0.005712 160 C 11 XX 0.006631 0.001878 0.000504 -0.013618 0.004484 161 C 11 YY 0.004293 -0.003147 -0.000980 0.010114 0.002647 162 C 11 ZZ -0.010925 0.001270 0.000476 0.003504 -0.007131 163 C 11 XY -0.003190 -0.003828 -0.000234 0.000713 -0.004660 164 C 11 XZ 0.000704 -0.000148 -0.000240 -0.001022 0.000606 165 C 11 YZ -0.000250 0.000121 -0.000037 0.000255 -0.000227 166 C 12 S -0.000105 -0.000157 0.000520 -0.000355 -0.001696 167 C 12 S 0.133436 -0.069538 0.058367 0.028465 -0.133378 168 C 12 S 0.074153 -0.025098 0.040108 0.013677 -0.067997 169 C 12 X 0.030838 -0.025966 -0.011383 0.069792 0.026850 170 C 12 Y -0.068587 0.027872 -0.032747 0.027647 0.056087 171 C 12 Z -0.027449 0.012876 -0.013318 0.005050 0.027540 172 C 12 X 0.023602 -0.010891 0.006288 0.014050 -0.009142 173 C 12 Y -0.025805 0.009577 -0.014888 -0.006957 0.031513 174 C 12 Z -0.023058 0.009066 -0.009957 0.003602 0.015506 175 C 12 XX 0.005572 -0.005228 -0.000449 0.008218 0.000183 176 C 12 YY 0.002907 0.000521 0.003100 -0.007485 -0.004250 177 C 12 ZZ -0.008479 0.004707 -0.002651 -0.000734 0.004067 178 C 12 XY 0.000106 -0.001298 0.002332 -0.002192 -0.006364 179 C 12 XZ 0.001482 -0.000032 0.001320 -0.002784 -0.002468 180 C 12 YZ 0.003579 -0.001654 0.001788 -0.001372 -0.002922 181 C 13 S 0.000472 0.000127 0.000822 -0.000966 -0.001513 182 C 13 S 0.134498 -0.052355 0.088524 -0.104120 -0.161888 183 C 13 S 0.060821 -0.026338 0.041379 -0.059939 -0.090066 184 C 13 X 0.071611 -0.027302 0.033068 -0.032572 -0.043259 185 C 13 Y 0.001548 -0.005447 0.000084 0.034723 -0.026339 186 C 13 Z 0.036567 -0.014516 0.019220 -0.017137 -0.031706 187 C 13 X 0.024801 -0.011697 0.019858 -0.025924 -0.040850 188 C 13 Y -0.002295 -0.000508 -0.000195 0.006130 -0.007134 189 C 13 Z 0.027625 -0.011226 0.012215 -0.014449 -0.024123 190 C 13 XX 0.002727 -0.000901 0.000257 -0.000059 0.001324 191 C 13 YY 0.005981 -0.002434 0.003275 -0.003069 -0.005553 192 C 13 ZZ -0.008708 0.003335 -0.003532 0.003127 0.004229 193 C 13 XY -0.000827 -0.000620 -0.000485 0.005575 -0.003143 194 C 13 XZ 0.004370 -0.001769 0.001675 -0.001120 -0.002023 195 C 13 YZ 0.001772 -0.000725 0.000781 0.000678 -0.002301 196 C 14 S 0.000356 -0.000158 0.000919 -0.001359 -0.001810 197 C 14 S 0.140052 -0.034931 0.062746 -0.132748 -0.020251 198 C 14 S 0.068914 -0.023276 0.034620 -0.067919 -0.000156 199 C 14 X 0.028608 0.005983 -0.012528 -0.002439 0.082392 200 C 14 Y 0.076507 -0.025380 0.033188 -0.045108 -0.037387 201 C 14 Z -0.011184 0.004488 -0.007395 0.011319 0.012711 202 C 14 X 0.021239 -0.003395 0.002581 -0.011499 0.018463 203 C 14 Y 0.031738 -0.011516 0.017915 -0.032242 -0.004880 204 C 14 Z -0.014025 0.006549 -0.005618 0.004667 0.011431 205 C 14 XX 0.007221 0.001039 0.000617 -0.004743 0.006283 206 C 14 YY 0.002456 -0.002966 0.002606 -0.000013 -0.007544 207 C 14 ZZ -0.009677 0.001927 -0.003224 0.004756 0.001262 208 C 14 XY -0.000120 -0.000010 -0.002948 0.004399 0.008446 209 C 14 XZ 0.002663 -0.000804 0.001111 -0.001661 -0.001422 210 C 14 YZ -0.000843 0.000030 -0.000633 0.000824 0.000888 211 F 15 S -0.000488 0.000227 -0.000221 -0.000002 0.000451 212 F 15 S -0.052884 0.026765 -0.021069 -0.008029 0.045688 213 F 15 S -0.063533 0.032458 -0.026939 -0.012167 0.060665 214 F 15 X 0.014357 -0.009538 0.001614 0.020912 -0.004524 215 F 15 Y -0.019688 0.008215 -0.011089 0.008377 0.022011 216 F 15 Z -0.033900 0.017212 -0.021032 -0.005252 0.054335 217 F 15 X 0.007157 -0.004394 0.001523 0.009306 -0.003068 218 F 15 Y -0.005202 0.001888 -0.003460 0.004875 0.007362 219 F 15 Z -0.020495 0.010667 -0.012507 -0.003195 0.032776 220 F 15 XX -0.000882 0.000393 -0.000664 0.000372 0.001616 221 F 15 YY -0.001077 0.000598 -0.000566 -0.000413 0.001481 222 F 15 ZZ 0.001959 -0.000991 0.001230 0.000042 -0.003096 223 F 15 XY -0.000440 0.000168 -0.000150 0.000044 0.000249 224 F 15 XZ -0.001372 0.000858 -0.000355 -0.001260 0.000863 225 F 15 YZ 0.001353 -0.000565 0.000722 -0.000509 -0.001410 226 F 16 S -0.000018 0.000260 -0.000179 -0.000562 0.000788 227 F 16 S -0.041162 0.025799 -0.017705 -0.019152 0.043566 228 F 16 S -0.055178 0.031959 -0.023568 -0.020762 0.055268 229 F 16 X 0.011528 -0.011180 0.001712 0.028858 -0.005085 230 F 16 Y -0.032443 0.016954 -0.019599 -0.009037 0.056091 231 F 16 Z 0.004422 -0.003286 0.003531 0.007997 -0.013164 232 F 16 X 0.003214 -0.004984 0.000421 0.015372 -0.001309 233 F 16 Y -0.016221 0.009406 -0.010067 -0.006306 0.031915 234 F 16 Z 0.006393 -0.004081 0.003737 0.006068 -0.011761 235 F 16 XX -0.000734 0.000278 -0.000532 0.000286 0.001593 236 F 16 YY 0.001750 -0.000849 0.001046 -0.000105 -0.002765 237 F 16 ZZ -0.001016 0.000571 -0.000514 -0.000181 0.001173 238 F 16 XY -0.001083 0.000763 -0.000225 -0.001452 0.000761 239 F 16 XZ 0.000320 -0.000309 0.000015 0.000864 -0.000166 240 F 16 YZ -0.000864 0.000560 -0.000543 -0.000624 0.001766 241 F 17 S -0.000155 -0.000169 -0.000255 0.000846 -0.000148 242 F 17 S -0.045647 0.007621 -0.019540 0.045768 -0.001174 243 F 17 S -0.059361 0.011986 -0.024981 0.057106 0.000616 244 F 17 X 0.009438 0.002316 -0.000192 -0.007358 0.025047 245 F 17 Y 0.033391 -0.008513 0.019609 -0.049049 -0.008478 246 F 17 Z 0.013035 -0.001846 0.008574 -0.026105 0.003195 247 F 17 X 0.002214 0.002140 -0.000631 -0.002305 0.013079 248 F 17 Y 0.016007 -0.003319 0.010003 -0.027227 -0.004288 249 F 17 Z 0.010826 -0.001739 0.006741 -0.018802 0.001055 250 F 17 XX -0.000981 0.000288 -0.000596 0.001505 0.000431 251 F 17 YY 0.001515 -0.000465 0.000833 -0.001736 -0.000782 252 F 17 ZZ -0.000534 0.000177 -0.000238 0.000230 0.000351 253 F 17 XY 0.000643 0.000022 0.000007 -0.000452 0.001121 254 F 17 XZ 0.000418 0.000093 -0.000022 -0.000318 0.001030 255 F 17 YZ 0.001711 -0.000322 0.000968 -0.002591 -0.000176 256 F 18 S -0.000458 0.000213 -0.000252 0.000308 0.000422 257 F 18 S -0.054025 0.012654 -0.022144 0.046040 0.006516 258 F 18 S -0.065066 0.014063 -0.027916 0.062248 0.004035 259 F 18 X 0.014219 -0.000130 0.001886 -0.014060 0.022101 260 F 18 Y 0.027785 -0.008574 0.015516 -0.029901 -0.014399 261 F 18 Z -0.028189 0.007361 -0.018566 0.044396 0.010278 262 F 18 X 0.007732 -0.000709 0.002103 -0.007729 0.008617 263 F 18 Y 0.010333 -0.003319 0.006280 -0.012880 -0.007119 264 F 18 Z -0.018764 0.004830 -0.011893 0.028000 0.006957 265 F 18 XX -0.000880 0.000354 -0.000673 0.001243 0.001008 266 F 18 YY -0.000300 -0.000027 -0.000184 0.000743 -0.000289 267 F 18 ZZ 0.001180 -0.000326 0.000857 -0.001986 -0.000720 268 F 18 XY 0.000809 -0.000186 0.000252 -0.000624 0.000226 269 F 18 XZ -0.001251 0.000120 -0.000357 0.001254 -0.000969 270 F 18 YZ -0.002082 0.000622 -0.001140 0.002189 0.001010 271 C 19 S 0.002937 0.002299 -0.007100 0.005952 -0.004524 272 C 19 S -0.052612 -0.043761 0.125114 -0.099899 0.079454 273 C 19 S -0.012798 -0.009814 0.050193 -0.042281 0.038364 274 C 19 X 0.012685 0.011045 -0.023027 0.010146 -0.013106 275 C 19 Y 0.020665 0.016458 -0.034887 0.024992 -0.015691 276 C 19 Z 0.002996 0.002455 -0.005152 0.003450 -0.002350 277 C 19 X -0.002044 -0.000710 -0.001128 -0.001740 -0.002635 278 C 19 Y -0.002398 -0.002977 0.003981 -0.002442 0.002163 279 C 19 Z -0.000138 -0.000716 0.001122 0.000092 0.000826 280 C 19 XX 0.000756 0.000100 -0.000065 0.001559 0.000670 281 C 19 YY -0.002786 -0.001831 0.003830 -0.004110 0.001195 282 C 19 ZZ 0.002030 0.001731 -0.003765 0.002551 -0.001864 283 C 19 XY -0.003545 -0.003232 0.006321 -0.002860 0.003431 284 C 19 XZ -0.000505 -0.000446 0.000925 -0.000464 0.000478 285 C 19 YZ -0.000765 -0.000601 0.001291 -0.001024 0.000533 286 H 20 S -0.018509 -0.015009 0.047642 -0.043029 0.030947 287 H 20 S -0.000797 -0.001506 0.004737 -0.003534 0.004331 288 H 20 X 0.003227 0.002584 -0.007483 0.006471 -0.004709 289 H 20 Y -0.000105 0.000004 0.000608 -0.001093 0.000425 290 H 20 Z 0.000122 0.000141 -0.000318 0.000143 -0.000204 291 H 21 S -0.017857 -0.015330 0.048027 -0.038799 0.032982 292 H 21 S 0.000682 0.000620 0.000750 -0.001383 0.001443 293 H 21 X -0.000132 -0.000113 0.000807 -0.000885 0.000645 294 H 21 Y 0.001944 0.001692 -0.005127 0.004094 -0.003345 295 H 21 Z -0.001992 -0.001719 0.005248 -0.004112 0.003591 296 C 22 S 0.000578 -0.003760 -0.006556 -0.006265 0.004043 297 C 22 S -0.008096 0.067449 0.114094 0.105727 -0.073751 298 C 22 S -0.004367 0.016752 0.042486 0.045446 -0.035667 299 C 22 X 0.001350 -0.014500 -0.019115 -0.014230 0.005019 300 C 22 Y -0.003814 0.027587 0.034148 0.025612 -0.019728 301 C 22 Z -0.000256 0.002170 0.002708 0.001988 -0.001137 302 C 22 X 0.000132 0.002035 0.003218 0.002345 -0.003150 303 C 22 Y -0.000876 -0.003178 -0.002406 -0.001506 -0.000710 304 C 22 Z -0.000064 0.000154 -0.000745 -0.001042 -0.000145 305 C 22 XX 0.000461 -0.001158 -0.001070 -0.000787 0.002172 306 C 22 YY -0.000894 0.003770 0.004620 0.003664 -0.004018 307 C 22 ZZ 0.000433 -0.002612 -0.003550 -0.002877 0.001846 308 C 22 XY 0.000408 -0.004449 -0.005188 -0.003731 0.001480 309 C 22 XZ -0.000015 -0.000278 -0.000485 -0.000369 0.000022 310 C 22 YZ -0.000075 0.000612 0.000728 0.000498 -0.000369 311 H 23 S -0.002486 0.023902 0.044587 0.043118 -0.027352 312 H 23 S -0.000366 0.001611 0.004158 0.004323 -0.003102 313 H 23 X -0.000160 0.002231 0.004190 0.004025 -0.002300 314 H 23 Y -0.000413 0.003506 0.005682 0.005207 -0.003451 315 H 23 Z -0.000018 0.000118 0.000226 0.000220 -0.000098 316 H 24 S -0.002871 0.022798 0.042738 0.041928 -0.030518 317 H 24 S 0.000031 -0.000908 0.000423 0.001520 -0.001033 318 H 24 X 0.000242 -0.002174 -0.004203 -0.004017 0.002758 319 H 24 Y -0.000135 0.001024 0.001513 0.001274 -0.001013 320 H 24 Z 0.000388 -0.002638 -0.004823 -0.004727 0.003549 321 H 25 S -0.002979 0.022939 0.042629 0.041832 -0.030941 322 H 25 S 0.000020 -0.000720 0.000277 0.001399 -0.001188 323 H 25 X 0.000239 -0.002003 -0.003792 -0.003642 0.002540 324 H 25 Y -0.000102 0.000732 0.000989 0.000796 -0.000601 325 H 25 Z -0.000439 0.002914 0.005257 0.005148 -0.003872 326 C 26 S 0.002404 0.000866 0.003414 0.001239 0.005088 327 C 26 S -0.057100 -0.016457 -0.068459 -0.011746 -0.086203 328 C 26 S -0.012812 -0.001582 -0.017608 -0.008355 -0.031647 329 C 26 X -0.002148 0.001715 0.003148 -0.009002 -0.006000 330 C 26 Y -0.007947 -0.009099 0.000846 0.002270 -0.004982 331 C 26 Z -0.026447 -0.006973 -0.025697 -0.004643 -0.025745 332 C 26 X -0.002084 -0.003168 -0.003599 0.005892 -0.000259 333 C 26 Y -0.000317 0.006254 -0.000411 -0.000322 -0.001672 334 C 26 Z 0.001109 0.001724 0.000794 -0.002764 -0.001952 335 C 26 XX 0.002997 0.000909 0.002283 0.000258 0.002652 336 C 26 YY 0.002511 0.000323 0.002850 0.000989 0.002798 337 C 26 ZZ -0.005507 -0.001231 -0.005132 -0.001247 -0.005450 338 C 26 XY 0.000347 0.000099 -0.000046 -0.000095 -0.000058 339 C 26 XZ -0.000405 0.000139 0.000228 -0.000915 -0.000984 340 C 26 YZ -0.001858 -0.001357 -0.000793 0.000039 -0.001710 341 H 27 S -0.016472 -0.002476 -0.028969 -0.002054 -0.029228 342 H 27 S -0.005812 -0.000747 -0.004374 0.002556 -0.006605 343 H 27 X -0.002397 0.000009 -0.003313 -0.000740 -0.003819 344 H 27 Y -0.002360 -0.001109 -0.002922 0.000045 -0.003096 345 H 27 Z -0.001631 -0.000400 -0.000937 -0.000299 -0.001763 346 H 28 S -0.021908 -0.011182 -0.022681 -0.001989 -0.033962 347 H 28 S 0.003060 -0.000867 -0.003749 -0.000577 -0.002366 348 H 28 X -0.000519 -0.000091 -0.000339 -0.000773 -0.001173 349 H 28 Y 0.002520 0.001016 0.003537 0.000479 0.004640 350 H 28 Z -0.001400 -0.000406 -0.002453 -0.000375 -0.002691 351 H 29 S -0.019195 -0.002133 -0.024132 -0.009613 -0.037640 352 H 29 S 0.000226 0.003071 0.000372 -0.004470 -0.004493 353 H 29 X 0.002513 0.000274 0.003479 0.001015 0.004805 354 H 29 Y -0.001334 -0.000902 -0.001248 -0.000522 -0.002262 355 H 29 Z -0.001384 -0.000160 -0.001483 -0.000115 -0.001905 356 C 30 S 0.001070 -0.002106 0.003927 0.004155 0.002677 357 C 30 S -0.030833 0.054009 -0.075048 -0.076066 -0.038735 358 C 30 S -0.004045 0.010601 -0.020025 -0.026990 -0.017251 359 C 30 X -0.001780 -0.000851 0.004975 -0.000649 -0.009756 360 C 30 Y -0.000904 -0.012308 0.000152 0.004993 -0.001860 361 C 30 Z 0.014270 -0.023804 0.027226 0.023113 0.013279 362 C 30 X -0.000728 0.002309 -0.002454 -0.001714 0.007781 363 C 30 Y 0.005581 0.007386 -0.000378 -0.001438 0.000251 364 C 30 Z 0.000022 0.001964 -0.000079 0.001138 0.000649 365 C 30 XX 0.001824 -0.002887 0.002473 0.002322 0.001186 366 C 30 YY 0.001399 -0.001863 0.002891 0.002347 0.001684 367 C 30 ZZ -0.003223 0.004750 -0.005364 -0.004670 -0.002869 368 C 30 XY -0.000075 0.000355 -0.000111 -0.000351 -0.000175 369 C 30 XZ 0.000260 0.000381 -0.000597 -0.000308 0.000628 370 C 30 YZ -0.000490 0.001942 -0.001017 -0.001422 -0.000130 371 H 31 S -0.008753 0.024294 -0.025039 -0.030341 -0.013644 372 H 31 S 0.002968 -0.000596 -0.004592 -0.003656 -0.001451 373 H 31 X -0.000080 -0.000220 0.000509 0.000316 -0.000765 374 H 31 Y -0.001219 0.002430 -0.003820 -0.004145 -0.001985 375 H 31 Z 0.000822 -0.001447 0.002709 0.002477 0.001379 376 H 32 S -0.009883 0.014859 -0.031492 -0.026720 -0.010162 377 H 32 S -0.006631 0.003838 -0.004140 -0.005315 0.002883 378 H 32 X -0.001759 0.002092 -0.004013 -0.003834 -0.001901 379 H 32 Y 0.000637 -0.002234 0.002377 0.002260 0.000529 380 H 32 Z 0.001193 -0.001629 0.001392 0.001792 0.001077 381 H 33 S -0.013613 0.015310 -0.027255 -0.030959 -0.021409 382 H 33 S -0.002336 -0.001986 -0.000614 -0.001577 -0.005391 383 H 33 X 0.001770 -0.001648 0.003669 0.003534 0.002047 384 H 33 Y 0.000855 -0.002164 0.002237 0.002665 0.001775 385 H 33 Z 0.000729 -0.001290 0.001268 0.001326 0.000460 386 H 34 S -0.017852 -0.015158 0.047596 -0.038708 0.032691 387 H 34 S 0.000459 0.000837 0.000149 -0.001434 0.001105 388 H 34 X -0.000340 -0.000269 0.001281 -0.001304 0.000970 389 H 34 Y 0.001496 0.001266 -0.003825 0.003117 -0.002464 390 H 34 Z 0.002367 0.002037 -0.006142 0.004787 -0.004181 391 F 35 S -0.000209 0.000135 -0.000535 0.000630 0.001121 392 F 35 S -0.041596 0.016482 -0.029760 0.036669 0.057330 393 F 35 S -0.054227 0.020996 -0.036642 0.046729 0.071886 394 F 35 X 0.034287 -0.013767 0.032188 -0.045206 -0.070584 395 F 35 Y 0.002304 -0.001320 0.002323 0.003578 -0.010956 396 F 35 Z 0.000423 -0.000149 -0.002689 0.006105 0.008674 397 F 35 X 0.017234 -0.006836 0.017760 -0.025161 -0.039430 398 F 35 Y 0.001726 -0.001257 0.001668 0.002096 -0.006865 399 F 35 Z -0.004265 0.001800 -0.004288 0.006816 0.010390 400 F 35 XX 0.002171 -0.000850 0.001789 -0.002419 -0.003626 401 F 35 YY -0.000957 0.000369 -0.000868 0.001286 0.001795 402 F 35 ZZ -0.001214 0.000481 -0.000920 0.001134 0.001831 403 F 35 XY 0.000275 -0.000194 0.000254 0.000236 -0.001000 404 F 35 XZ -0.000355 0.000143 -0.000567 0.000968 0.001420 405 F 35 YZ 0.000002 0.000027 -0.000031 -0.000147 0.000263 406 F 36 S -0.000277 0.000065 -0.000129 0.000218 0.000392 407 F 36 S -0.055791 0.021876 -0.031583 0.035320 0.056034 408 F 36 S -0.069201 0.027743 -0.042707 0.048772 0.077173 409 F 36 X 0.020237 -0.007995 0.010097 -0.009786 -0.014363 410 F 36 Y -0.002160 -0.000327 -0.002445 0.014062 -0.002603 411 F 36 Z 0.041449 -0.016729 0.033874 -0.042993 -0.071207 412 F 36 X 0.004613 -0.001613 0.002022 -0.001519 -0.001647 413 F 36 Y -0.001764 0.000393 -0.001643 0.006683 0.000328 414 F 36 Z 0.023725 -0.009347 0.019533 -0.024965 -0.041168 415 F 36 XX -0.001293 0.000512 -0.001052 0.001343 0.002144 416 F 36 YY -0.001413 0.000567 -0.001012 0.001142 0.002017 417 F 36 ZZ 0.002706 -0.001079 0.002064 -0.002485 -0.004160 418 F 36 XY -0.000104 0.000025 -0.000057 0.000144 0.000027 419 F 36 XZ 0.001269 -0.000485 0.000590 -0.000572 -0.000793 420 F 36 YZ -0.000334 0.000067 -0.000285 0.000981 0.000112 421 C 37 S 0.009884 0.005687 -0.004458 0.008331 0.002920 422 C 37 S -0.133663 -0.080275 0.065377 -0.104712 -0.034446 423 C 37 S -0.073204 -0.041239 0.018761 -0.075495 -0.045739 424 C 37 X 0.042999 0.027208 -0.002249 0.004461 0.014681 425 C 37 Y -0.016122 -0.025897 0.074495 -0.025880 0.047798 426 C 37 Z 0.002577 0.000512 0.009150 -0.002463 0.010527 427 C 37 X 0.017320 0.011344 -0.000985 0.018897 0.014902 428 C 37 Y -0.003982 0.005800 -0.003117 -0.012874 -0.008391 429 C 37 Z -0.000889 0.001389 -0.001503 -0.001321 0.000350 430 C 37 XX 0.000572 -0.000395 -0.004487 0.004217 -0.002376 431 C 37 YY -0.006567 -0.002696 0.004493 -0.007487 -0.000479 432 C 37 ZZ 0.005994 0.003091 -0.000007 0.003269 0.002855 433 C 37 XY -0.001155 0.001421 -0.008642 0.000290 -0.006153 434 C 37 XZ -0.001067 -0.000803 -0.001060 0.000106 -0.001706 435 C 37 YZ -0.002429 -0.001136 0.000254 -0.001711 -0.001639 436 S 38 S -0.000135 -0.000237 0.000173 0.000140 0.000054 437 S 38 S 0.001675 0.001091 -0.000858 -0.000580 -0.000884 438 S 38 S -0.114946 -0.124326 0.119564 0.103027 0.082281 439 S 38 S -0.087710 -0.087305 0.091117 0.080393 0.065839 440 S 38 X 0.002597 0.002143 -0.003226 0.001083 -0.001328 441 S 38 Y -0.002298 -0.003053 0.000703 0.003687 0.000836 442 S 38 Z -0.000066 0.000012 -0.000128 0.000106 -0.000053 443 S 38 X -0.036087 -0.025212 0.045017 -0.028770 0.017852 444 S 38 Y 0.025977 0.032698 -0.001734 -0.050674 -0.003387 445 S 38 Z 0.000941 0.000587 0.001750 -0.000971 0.002397 446 S 38 X -0.008842 -0.009245 0.014168 -0.004554 0.003944 447 S 38 Y 0.010783 0.007277 -0.000303 -0.011143 -0.000860 448 S 38 Z 0.000759 -0.000505 0.001133 -0.000810 0.000279 449 S 38 XX -0.008037 -0.005080 0.015857 -0.014176 0.006487 450 S 38 YY -0.002364 -0.005696 -0.007366 0.020193 -0.001834 451 S 38 ZZ 0.010401 0.010776 -0.008491 -0.006017 -0.004653 452 S 38 XY 0.005098 0.001262 -0.002276 0.006049 0.001950 453 S 38 XZ -0.000319 -0.000300 0.000680 -0.000142 0.000605 454 S 38 YZ -0.000584 -0.000414 -0.000157 0.000655 -0.000460 455 S 38 XX -0.001187 -0.000684 0.002432 -0.002219 0.001008 456 S 38 YY -0.000515 -0.001109 -0.001002 0.003321 -0.000152 457 S 38 ZZ 0.001703 0.001793 -0.001429 -0.001101 -0.000856 458 S 38 XY 0.000581 0.000098 -0.000154 0.000883 0.000326 459 S 38 XZ -0.000047 -0.000050 0.000147 -0.000039 0.000114 460 S 38 YZ -0.000129 -0.000105 -0.000014 0.000067 -0.000070 461 H 39 S -0.038169 -0.019763 0.021471 -0.047166 -0.015729 462 H 39 S -0.004749 -0.002226 0.001874 -0.009237 -0.005153 463 H 39 X 0.006372 0.003234 -0.003371 0.006777 0.002116 464 H 39 Y -0.001575 -0.001738 0.003289 -0.001795 0.001528 465 H 39 Z -0.000084 0.000019 0.000370 -0.000392 0.000188 46 47 48 49 50 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S 0.003118 0.001426 -0.003068 0.000569 -0.000330 2 C 1 S -0.047597 -0.011756 0.026248 0.005754 0.014390 3 C 1 S -0.047132 -0.015735 0.070387 -0.010155 -0.003433 4 C 1 X 0.023833 -0.007863 0.120259 0.026568 0.039299 5 C 1 Y 0.044426 0.024573 -0.075378 0.094490 0.088343 6 C 1 Z 0.002379 0.002530 -0.010488 0.001026 0.000760 7 C 1 X 0.001244 -0.002668 0.043935 0.001172 0.010196 8 C 1 Y 0.023443 0.011119 -0.049328 0.059495 0.059474 9 C 1 Z 0.000052 0.000067 -0.005458 0.003338 0.002100 10 C 1 XX -0.003152 0.000389 -0.009420 -0.001052 -0.001765 11 C 1 YY 0.000454 -0.001601 0.013164 0.001266 0.002685 12 C 1 ZZ 0.002698 0.001212 -0.003744 -0.000214 -0.000920 13 C 1 XY 0.007933 0.002762 -0.001367 0.014333 0.014360 14 C 1 XZ 0.000880 0.000239 0.000280 0.000449 0.000577 15 C 1 YZ -0.000606 -0.000253 0.001035 -0.001218 -0.000986 16 C 2 S 0.004244 0.000741 0.011657 0.003622 0.003099 17 C 2 S -0.065583 0.009748 -0.179369 -0.042293 -0.052280 18 C 2 S -0.028192 -0.008584 -0.129410 -0.049454 -0.021735 19 C 2 X -0.003485 -0.001091 -0.002631 0.017152 0.013209 20 C 2 Y 0.008307 0.010865 -0.051648 0.008131 0.003167 21 C 2 Z 0.004077 0.001401 0.000135 -0.001878 -0.000740 22 C 2 X -0.004210 -0.004160 -0.017492 0.002227 0.006705 23 C 2 Y 0.002182 -0.010547 -0.012556 -0.019567 -0.008350 24 C 2 Z 0.000545 0.000493 0.000485 -0.002751 -0.000587 25 C 2 XX -0.002201 -0.000709 -0.000653 0.001987 0.003105 26 C 2 YY 0.000078 0.001209 -0.006923 -0.002910 -0.004359 27 C 2 ZZ 0.002123 -0.000499 0.007576 0.000923 0.001254 28 C 2 XY 0.005759 0.001129 0.000429 0.005726 0.004378 29 C 2 XZ 0.000362 -0.000086 0.000445 0.000288 0.000253 30 C 2 YZ 0.000119 0.000249 -0.000718 -0.001135 -0.000780 31 C 3 S 0.000592 0.000852 0.006290 0.004784 0.001873 32 C 3 S -0.026939 -0.000577 -0.096145 -0.042157 -0.046266 33 C 3 S 0.014578 -0.057674 -0.131973 -0.064490 0.002749 34 C 3 X 0.059498 0.016402 -0.047006 0.023556 -0.018053 35 C 3 Y 0.026768 -0.018211 0.092911 0.003889 0.005664 36 C 3 Z 0.018458 0.005429 0.008022 -0.010958 -0.005305 37 C 3 X -0.018871 0.042825 0.039304 0.006280 -0.044068 38 C 3 Y 0.037087 -0.031488 0.009106 -0.025792 0.029091 39 C 3 Z -0.000890 0.001447 0.003481 0.003716 0.002554 40 C 3 XX 0.000645 0.001611 0.006602 0.001988 0.003159 41 C 3 YY -0.001516 -0.002189 -0.012654 -0.003898 -0.004114 42 C 3 ZZ 0.000870 0.000578 0.006052 0.001910 0.000955 43 C 3 XY 0.007517 0.005069 0.004192 0.002455 -0.002767 44 C 3 XZ 0.001918 0.000891 0.000573 -0.000324 -0.001106 45 C 3 YZ 0.001567 0.000688 -0.000499 -0.001172 -0.001212 46 C 4 S -0.010175 -0.001774 -0.002776 0.000718 0.002075 47 C 4 S 0.116896 0.022768 0.028223 0.000078 -0.025137 48 C 4 S 0.136259 0.027558 0.031746 -0.000683 -0.024544 49 C 4 X 0.019779 0.009060 0.026123 0.042487 0.062624 50 C 4 Y -0.030029 -0.013429 0.031133 -0.039559 -0.033661 51 C 4 Z 0.069668 0.029995 0.035848 -0.068965 -0.032029 52 C 4 X 0.016007 0.003293 0.011041 0.019741 0.034637 53 C 4 Y -0.025785 0.000227 0.019025 -0.020258 -0.030649 54 C 4 Z 0.045734 0.017138 0.022370 -0.052200 -0.037043 55 C 4 XX -0.001085 -0.000348 -0.001129 0.007372 0.006000 56 C 4 YY -0.006185 -0.002504 -0.005481 0.002628 0.002896 57 C 4 ZZ 0.007270 0.002852 0.006610 -0.010000 -0.008897 58 C 4 XY -0.003672 -0.002101 -0.007197 -0.009172 -0.008409 59 C 4 XZ -0.001225 -0.000007 -0.001011 -0.002869 -0.004982 60 C 4 YZ 0.008570 0.003373 0.000304 -0.001225 0.002192 61 S 5 S -0.000333 -0.000039 -0.000063 -0.000073 -0.000077 62 S 5 S -0.003925 -0.000630 -0.001167 -0.002657 -0.002606 63 S 5 S 0.104119 0.027878 0.066238 0.222499 0.232529 64 S 5 S 0.088244 0.024350 0.064710 0.190627 0.197675 65 S 5 X 0.002657 0.000652 -0.000258 0.003208 0.002875 66 S 5 Y -0.001391 -0.000259 0.000677 0.000869 0.001022 67 S 5 Z -0.001384 -0.000447 -0.000279 0.000046 -0.000325 68 S 5 X -0.024571 -0.007811 0.004555 -0.032298 -0.024909 69 S 5 Y 0.018980 0.003786 -0.009534 -0.008529 -0.015952 70 S 5 Z 0.017477 0.006522 0.005610 -0.002710 0.002080 71 S 5 X -0.008053 -0.002120 -0.002062 -0.005096 -0.000710 72 S 5 Y 0.006476 0.002473 -0.000686 -0.001922 -0.002177 73 S 5 Z 0.003722 0.002341 0.001265 -0.001303 0.000931 74 S 5 XX 0.005835 0.001787 -0.004898 0.004745 0.002658 75 S 5 YY -0.001455 -0.000883 0.006142 0.003807 0.005392 76 S 5 ZZ -0.004380 -0.000904 -0.001244 -0.008552 -0.008050 77 S 5 XY -0.008594 -0.001573 -0.000912 0.002582 0.005115 78 S 5 XZ -0.005240 -0.001798 -0.000874 -0.001880 -0.002142 79 S 5 YZ 0.003410 0.000999 0.001094 0.000390 0.000996 80 S 5 XX 0.000810 0.000333 -0.001074 0.000850 0.000448 81 S 5 YY -0.000224 -0.000202 0.001326 0.000755 0.001103 82 S 5 ZZ -0.000586 -0.000131 -0.000252 -0.001605 -0.001551 83 S 5 XY -0.001196 -0.000154 -0.000145 0.000563 0.001007 84 S 5 XZ -0.001064 -0.000351 -0.000219 -0.000157 -0.000298 85 S 5 YZ 0.000775 0.000250 0.000322 -0.000031 0.000136 86 H 6 S -0.035775 -0.000711 -0.067322 -0.033916 -0.034491 87 H 6 S -0.001996 -0.006287 -0.010877 -0.009344 -0.006112 88 H 6 X -0.003608 -0.000467 -0.005785 -0.002932 -0.002865 89 H 6 Y -0.003822 0.000203 -0.007779 -0.003608 -0.003871 90 H 6 Z -0.000167 0.000029 -0.000211 -0.000071 -0.000191 91 C 7 S 0.000514 -0.004355 -0.001408 -0.004075 0.002118 92 C 7 S 0.018391 0.065928 0.007457 0.041038 -0.042405 93 C 7 S -0.037393 0.116613 0.062374 0.075906 -0.022895 94 C 7 X -0.061911 0.036549 -0.017515 -0.027583 -0.017597 95 C 7 Y 0.019505 0.102268 -0.032194 -0.003096 -0.006390 96 C 7 Z 0.024256 0.002309 0.008278 -0.009163 0.009317 97 C 7 X 0.007169 -0.026882 -0.029792 -0.006593 -0.036773 98 C 7 Y 0.034784 0.014081 -0.029040 -0.010135 -0.024397 99 C 7 Z 0.000284 0.001992 0.008072 0.004045 0.004491 100 C 7 XX -0.003553 -0.009609 -0.001451 -0.003005 0.002391 101 C 7 YY 0.003946 0.015665 0.001736 0.004760 -0.003767 102 C 7 ZZ -0.000393 -0.006056 -0.000285 -0.001755 0.001375 103 C 7 XY 0.004528 0.000732 0.003454 0.001244 0.003617 104 C 7 XZ 0.002385 0.001052 0.000266 -0.000513 0.000982 105 C 7 YZ -0.001315 0.000304 -0.001379 0.000359 -0.001314 106 C 8 S -0.003050 0.002668 -0.000927 0.000851 -0.001541 107 C 8 S 0.041796 -0.046705 0.007219 -0.033244 0.049994 108 C 8 S 0.058939 -0.051584 0.013048 -0.004031 0.016529 109 C 8 X -0.004819 -0.107926 0.020769 -0.003936 0.016952 110 C 8 Y 0.060447 -0.029033 0.027395 0.123866 -0.129921 111 C 8 Z 0.011711 -0.004639 0.005837 0.012536 -0.015244 112 C 8 X 0.004681 -0.061778 0.005139 0.006930 -0.002927 113 C 8 Y 0.021227 -0.047228 0.013832 0.060318 -0.062893 114 C 8 Z 0.004195 -0.006770 0.003578 0.006709 -0.007175 115 C 8 XX 0.005105 0.013368 -0.001468 0.003736 -0.004411 116 C 8 YY -0.000657 -0.014968 0.002516 -0.002432 0.003580 117 C 8 ZZ -0.004447 0.001600 -0.001048 -0.001304 0.000831 118 C 8 XY 0.003995 -0.006741 0.003288 0.010505 -0.010713 119 C 8 XZ 0.001293 -0.000027 0.000391 0.001288 -0.001578 120 C 8 YZ 0.000039 -0.002881 0.000274 0.000410 0.000176 121 C 9 S 0.010123 0.003105 0.001339 -0.000682 0.002034 122 C 9 S -0.119588 -0.035324 -0.013481 -0.003716 -0.024306 123 C 9 S -0.118788 -0.021584 -0.021602 -0.001346 -0.012590 124 C 9 X -0.010440 -0.021976 -0.006330 -0.040028 0.061433 125 C 9 Y -0.037870 0.016574 -0.014610 -0.050697 0.046598 126 C 9 Z 0.063014 0.030981 0.027557 -0.062625 0.033790 127 C 9 X -0.008539 -0.002402 -0.001995 -0.027796 0.036101 128 C 9 Y -0.010372 0.016510 0.004382 -0.024145 0.043898 129 C 9 Z 0.054648 0.026772 0.015853 -0.048015 0.040926 130 C 9 XX 0.001303 0.001758 0.001494 -0.004381 0.004529 131 C 9 YY 0.005272 0.003342 0.000628 -0.005141 0.006010 132 C 9 ZZ -0.006575 -0.005100 -0.002123 0.009522 -0.010539 133 C 9 XY -0.004144 -0.006550 -0.002242 -0.009508 0.008829 134 C 9 XZ -0.000849 -0.001092 -0.000011 -0.001228 0.003449 135 C 9 YZ -0.007856 -0.000657 -0.003072 0.001076 0.002340 136 C 10 S -0.003255 0.005273 -0.004548 -0.001531 -0.004107 137 C 10 S 0.073588 -0.115640 0.033520 0.014812 0.060754 138 C 10 S 0.067221 -0.076287 0.046064 0.019293 0.021178 139 C 10 X -0.027824 0.037831 0.050983 0.036766 -0.035479 140 C 10 Y 0.045131 0.014780 -0.045228 0.013018 -0.030473 141 C 10 Z 0.008508 -0.003458 -0.001467 -0.011923 0.007705 142 C 10 X 0.044462 -0.052791 -0.065803 -0.040891 -0.020014 143 C 10 Y 0.032593 -0.039564 -0.052995 -0.011090 -0.028630 144 C 10 Z -0.003361 0.009990 0.005139 0.000728 0.005127 145 C 10 XX 0.007485 -0.009815 -0.007895 -0.002961 -0.000112 146 C 10 YY -0.002790 0.003289 0.009034 0.002886 0.003857 147 C 10 ZZ -0.004695 0.006526 -0.001138 0.000076 -0.003745 148 C 10 XY 0.000233 0.007002 0.004791 0.005881 -0.002273 149 C 10 XZ -0.000481 0.002405 0.000296 -0.000510 -0.000697 150 C 10 YZ 0.000068 -0.000549 -0.000414 -0.000925 0.000841 151 C 11 S 0.004052 0.003543 -0.004478 0.001318 -0.002894 152 C 11 S -0.081042 -0.020069 0.097593 -0.009912 0.062617 153 C 11 S -0.071863 -0.027820 0.074573 -0.017094 -0.005092 154 C 11 X 0.019004 -0.042332 -0.048558 -0.037540 -0.041818 155 C 11 Y 0.046383 -0.057681 0.019621 0.009983 0.024852 156 C 11 Z 0.006873 -0.002422 0.001656 -0.008915 0.001896 157 C 11 X -0.046421 0.080067 0.060873 0.043060 -0.038059 158 C 11 Y 0.022963 -0.049958 -0.026495 0.000612 0.023376 159 C 11 Z 0.002547 0.000791 0.000506 -0.003709 -0.006303 160 C 11 XX -0.007050 0.009002 0.005292 0.001191 -0.001345 161 C 11 YY 0.002134 -0.009325 0.000655 -0.001054 0.004548 162 C 11 ZZ 0.004915 0.000324 -0.005947 -0.000137 -0.003203 163 C 11 XY -0.001390 0.006889 0.008944 0.006642 0.002027 164 C 11 XZ -0.000206 0.001427 0.001461 0.000130 -0.000442 165 C 11 YZ 0.000391 -0.000995 -0.000179 -0.000165 0.000661 166 C 12 S 0.000759 0.000843 -0.001666 -0.000382 -0.000995 167 C 12 S 0.112516 -0.110385 -0.142242 -0.069864 0.005118 168 C 12 S 0.087534 -0.104167 -0.119685 -0.069639 0.012509 169 C 12 X 0.031033 -0.054435 0.035930 0.014733 0.065389 170 C 12 Y -0.010258 -0.005475 0.025238 0.006631 0.016965 171 C 12 Z -0.010613 0.003090 0.020947 0.005247 0.012886 172 C 12 X 0.023116 -0.036383 -0.017513 -0.014056 0.021273 173 C 12 Y -0.034668 0.032560 0.047384 0.023201 0.008241 174 C 12 Z -0.005397 0.006549 0.012922 0.003780 -0.002829 175 C 12 XX 0.004150 -0.004057 0.001246 0.001231 0.002610 176 C 12 YY -0.002635 0.004239 -0.001239 -0.000230 -0.002680 177 C 12 ZZ -0.001514 -0.000182 -0.000007 -0.001002 0.000070 178 C 12 XY 0.000085 0.005964 -0.003832 0.000838 -0.006095 179 C 12 XZ -0.000205 0.001302 -0.001725 -0.000741 -0.002299 180 C 12 YZ 0.000267 0.001596 -0.001293 0.000171 -0.001916 181 C 13 S 0.000231 0.002172 -0.001883 0.000362 -0.002909 182 C 13 S 0.002962 0.092040 -0.083633 -0.000781 -0.112733 183 C 13 S -0.001026 0.044851 -0.045764 -0.006663 -0.059119 184 C 13 X -0.003518 0.011456 0.003012 0.004348 0.017149 185 C 13 Y 0.060626 -0.087510 -0.087321 -0.058547 -0.002589 186 C 13 Z 0.005501 0.001702 -0.014355 -0.005687 0.000094 187 C 13 X -0.000333 0.022566 -0.018226 -0.001321 -0.027889 188 C 13 Y 0.012868 -0.019358 -0.020486 -0.015400 -0.004505 189 C 13 Z -0.000339 0.004777 -0.010725 -0.001078 -0.005996 190 C 13 XX -0.000821 -0.000413 0.002179 0.000570 0.001148 191 C 13 YY 0.000558 0.001161 -0.001732 -0.000196 0.000563 192 C 13 ZZ 0.000262 -0.000749 -0.000448 -0.000375 -0.001711 193 C 13 XY 0.007473 -0.009212 -0.008301 -0.004545 -0.000346 194 C 13 XZ 0.000307 -0.000484 -0.000028 -0.000287 0.001356 195 C 13 YZ 0.002774 -0.003854 -0.004054 -0.002603 0.000245 196 C 14 S -0.000423 0.001519 -0.001370 -0.000198 -0.000992 197 C 14 S -0.110527 0.151724 0.108304 0.066861 0.012615 198 C 14 S -0.085669 0.126633 0.110627 0.075559 0.013649 199 C 14 X -0.032044 -0.033546 0.045535 -0.013701 0.064126 200 C 14 Y -0.015565 0.029000 0.005082 0.006193 -0.009495 201 C 14 Z 0.005139 -0.015994 -0.000582 -0.007211 0.011022 202 C 14 X -0.021242 0.011241 0.028636 0.010155 0.024164 203 C 14 Y -0.035005 0.054649 0.042970 0.028179 -0.001804 204 C 14 Z 0.000220 -0.001418 0.003444 -0.001473 0.002941 205 C 14 XX -0.004284 0.000416 0.001863 -0.001202 0.001284 206 C 14 YY 0.002466 0.000465 -0.002313 0.000359 -0.001727 207 C 14 ZZ 0.001818 -0.000881 0.000450 0.000843 0.000443 208 C 14 XY -0.001487 -0.004628 0.006482 0.000348 0.007212 209 C 14 XZ -0.000268 0.001281 -0.000223 0.000108 -0.001035 210 C 14 YZ 0.000195 -0.000881 0.000619 -0.000125 0.001212 211 F 15 S -0.000131 0.000248 0.000413 0.000097 -0.000230 212 F 15 S -0.036996 0.035846 0.047200 0.024078 -0.001747 213 F 15 S -0.054472 0.053135 0.068839 0.037491 -0.000348 214 F 15 X 0.021353 -0.031113 -0.005298 -0.005514 0.026083 215 F 15 Y -0.007550 0.003275 0.015884 0.007084 0.006000 216 F 15 Z -0.048287 0.051716 0.078761 0.044365 0.003564 217 F 15 X 0.010560 -0.014871 -0.002945 -0.002368 0.013225 218 F 15 Y -0.000584 -0.000456 0.004174 0.001974 0.002563 219 F 15 Z -0.028294 0.030399 0.046776 0.026179 0.001773 220 F 15 XX -0.000896 0.000739 0.001998 0.001020 0.000573 221 F 15 YY -0.001475 0.001619 0.002055 0.001141 -0.000111 222 F 15 ZZ 0.002371 -0.002358 -0.004053 -0.002161 -0.000461 223 F 15 XY -0.000144 0.000221 0.000103 0.000085 -0.000127 224 F 15 XZ -0.001626 0.002081 0.001025 0.000641 -0.001225 225 F 15 YZ 0.000510 -0.000275 -0.001057 -0.000476 -0.000339 226 F 16 S -0.001140 0.000823 0.001357 0.000696 0.000365 227 F 16 S -0.043390 0.039383 0.054521 0.025506 0.002125 228 F 16 S -0.052277 0.051673 0.069342 0.032808 -0.001225 229 F 16 X 0.026039 -0.027015 -0.010854 -0.002661 0.021057 230 F 16 Y -0.051690 0.057154 0.085951 0.046593 0.009918 231 F 16 Z 0.019902 -0.024290 -0.030111 -0.018439 0.002687 232 F 16 X 0.013606 -0.013632 -0.005018 -0.001055 0.011637 233 F 16 Y -0.029912 0.032130 0.049836 0.027057 0.006727 234 F 16 Z 0.015043 -0.017128 -0.022293 -0.012658 0.001118 235 F 16 XX -0.000988 0.001090 0.002184 0.001188 0.000587 236 F 16 YY 0.001894 -0.001830 -0.003468 -0.001749 -0.000790 237 F 16 ZZ -0.000906 0.000740 0.001284 0.000561 0.000203 238 F 16 XY -0.001686 0.002057 0.001219 0.000635 -0.000950 239 F 16 XZ 0.000857 -0.001039 -0.000533 -0.000303 0.000573 240 F 16 YZ -0.001899 0.002082 0.002923 0.001591 0.000107 241 F 17 S 0.000880 -0.001335 -0.000975 -0.000614 0.000021 242 F 17 S 0.042222 -0.056230 -0.038834 -0.025191 -0.001772 243 F 17 S 0.053320 -0.071283 -0.049098 -0.033265 -0.003383 244 F 17 X -0.017434 -0.001911 0.015401 -0.003698 0.021896 245 F 17 Y -0.047652 0.078092 0.053664 0.041197 -0.001139 246 F 17 Z -0.031356 0.047591 0.036188 0.025642 0.004861 247 F 17 X -0.008185 -0.002494 0.007008 -0.002520 0.011795 248 F 17 Y -0.026254 0.043811 0.029811 0.023062 -0.000775 249 F 17 Z -0.021382 0.032469 0.023842 0.017060 0.002317 250 F 17 XX 0.001339 -0.002361 -0.001559 -0.001223 0.000092 251 F 17 YY -0.001289 0.002335 0.001339 0.001134 -0.000277 252 F 17 ZZ -0.000050 0.000025 0.000220 0.000089 0.000185 253 F 17 XY -0.000892 0.000135 0.001045 0.000077 0.000984 254 F 17 XZ -0.000757 0.000108 0.000822 0.000035 0.000804 255 F 17 YZ -0.002536 0.003926 0.002746 0.001981 0.000109 256 F 18 S 0.000269 -0.000322 -0.000093 -0.000230 -0.000080 257 F 18 S 0.037100 -0.051582 -0.035446 -0.022097 -0.003142 258 F 18 S 0.052567 -0.075606 -0.054383 -0.032872 -0.004628 259 F 18 X -0.022601 0.009677 0.028792 0.003916 0.025032 260 F 18 Y -0.021006 0.037449 0.021607 0.016571 -0.001855 261 F 18 Z 0.042977 -0.074213 -0.048649 -0.038446 0.000153 262 F 18 X -0.011591 0.005910 0.014039 0.002306 0.012555 263 F 18 Y -0.008846 0.016513 0.008758 0.007413 -0.000774 264 F 18 Z 0.026409 -0.045255 -0.029319 -0.023265 -0.000126 265 F 18 XX 0.000801 -0.001981 -0.000790 -0.000950 0.000486 266 F 18 YY 0.000941 -0.001274 -0.001081 -0.000685 -0.000227 267 F 18 ZZ -0.001742 0.003255 0.001871 0.001635 -0.000259 268 F 18 XY -0.000643 0.000516 0.000793 0.000240 0.000485 269 F 18 XZ 0.001593 -0.001232 -0.001860 -0.000589 -0.001131 270 F 18 YZ 0.001567 -0.002750 -0.001530 -0.001228 0.000154 271 C 19 S -0.005067 0.009468 -0.003547 -0.008253 0.007829 272 C 19 S 0.096618 -0.171710 0.061016 0.151498 -0.144905 273 C 19 S 0.046339 -0.071690 0.034275 0.078885 -0.075836 274 C 19 X -0.012566 -0.001165 -0.001669 -0.006219 0.005115 275 C 19 Y -0.011168 0.017593 -0.003560 0.009010 -0.015696 276 C 19 Z -0.001508 0.002406 -0.000327 0.000477 -0.001543 277 C 19 X 0.000434 -0.006292 0.001145 0.006134 -0.006610 278 C 19 Y 0.005019 -0.013897 0.002065 0.011590 -0.012812 279 C 19 Z 0.001825 -0.001037 -0.000035 0.000717 -0.001639 280 C 19 XX 0.001012 0.001545 -0.000097 0.001647 -0.001854 281 C 19 YY 0.000453 -0.003802 0.000665 -0.001454 0.002207 282 C 19 ZZ -0.001465 0.002257 -0.000568 -0.000192 -0.000353 283 C 19 XY 0.002991 -0.000845 0.000549 0.000881 -0.000360 284 C 19 XZ 0.000387 -0.000261 0.000091 0.000274 -0.000113 285 C 19 YZ 0.000385 -0.000847 0.000178 -0.000184 0.000426 286 H 20 S 0.039176 -0.084628 0.028659 0.068508 -0.065596 287 H 20 S 0.003926 -0.010283 0.003092 0.008319 -0.008642 288 H 20 X -0.005686 0.011469 -0.003957 -0.009429 0.009020 289 H 20 Y 0.000653 -0.002618 0.000776 0.001756 -0.001767 290 H 20 Z -0.000244 0.000186 -0.000068 -0.000181 0.000189 291 H 21 S 0.042997 -0.075632 0.028049 0.077378 -0.076944 292 H 21 S 0.003248 -0.005269 0.002563 0.008049 -0.009005 293 H 21 X 0.000827 -0.002148 0.000696 0.001757 -0.001747 294 H 21 Y -0.004151 0.007358 -0.002589 -0.006322 0.006061 295 H 21 Z 0.004618 -0.007820 0.002953 0.008210 -0.008135 296 C 22 S 0.004443 0.002959 -0.011275 0.007409 0.006206 297 C 22 S -0.077221 -0.048171 0.207754 -0.129868 -0.111643 298 C 22 S -0.035526 -0.027373 0.100381 -0.062142 -0.051484 299 C 22 X 0.010669 0.002709 0.001359 0.008540 0.007992 300 C 22 Y -0.009980 -0.004060 0.018495 0.006126 0.010945 301 C 22 Z -0.000918 -0.000242 0.000699 -0.000541 -0.000184 302 C 22 X -0.001594 -0.000520 0.008692 -0.006592 -0.008060 303 C 22 Y 0.002853 0.001100 -0.010807 0.009781 0.010254 304 C 22 Z 0.001107 0.000435 -0.000324 0.000300 0.000610 305 C 22 XX -0.000773 -0.000019 -0.002291 -0.002058 -0.002274 306 C 22 YY -0.000749 -0.000659 0.004316 0.001119 0.001728 307 C 22 ZZ 0.001521 0.000678 -0.002025 0.000939 0.000546 308 C 22 XY 0.002408 0.000682 -0.000884 0.001360 0.000893 309 C 22 XZ 0.000368 0.000100 -0.000077 0.000278 0.000220 310 C 22 YZ -0.000218 -0.000064 0.000374 -0.000135 -0.000022 311 H 23 S -0.036059 -0.022222 0.090209 -0.069735 -0.063379 312 H 23 S -0.003828 -0.002153 0.010660 -0.009991 -0.009646 313 H 23 X -0.003505 -0.002063 0.008261 -0.006663 -0.006065 314 H 23 Y -0.003864 -0.002344 0.009922 -0.006601 -0.005661 315 H 23 Z -0.000163 -0.000085 0.000232 -0.000142 -0.000123 316 H 24 S -0.031770 -0.021668 0.097634 -0.060412 -0.052424 317 H 24 S -0.001728 -0.001763 0.008478 -0.006009 -0.005103 318 H 24 X 0.003126 0.001934 -0.008227 0.005626 0.004989 319 H 24 Y -0.000820 -0.000483 0.002120 -0.000971 -0.000739 320 H 24 Z 0.003406 0.002376 -0.010899 0.006417 0.005453 321 H 25 S -0.031568 -0.021697 0.098310 -0.059820 -0.051842 322 H 25 S -0.001944 -0.001890 0.009025 -0.005950 -0.005244 323 H 25 X 0.002816 0.001754 -0.007459 0.005096 0.004556 324 H 25 Y -0.000481 -0.000228 0.000871 -0.000242 -0.000144 325 H 25 Z -0.003709 -0.002572 0.011648 -0.006796 -0.005805 326 C 26 S 0.008257 0.004111 0.002393 -0.006459 0.006891 327 C 26 S -0.158044 -0.078415 -0.047979 0.129370 -0.109339 328 C 26 S -0.060890 -0.032357 -0.021625 0.059366 -0.056311 329 C 26 X -0.001233 -0.002782 -0.000942 -0.004797 0.011838 330 C 26 Y -0.011956 0.001152 -0.002971 -0.008178 0.002470 331 C 26 Z -0.031401 -0.010636 -0.004624 0.002949 -0.003516 332 C 26 X 0.003044 -0.001448 0.001893 0.001342 -0.003623 333 C 26 Y 0.002998 -0.002061 -0.003514 0.004034 0.001120 334 C 26 Z 0.009387 0.003269 0.005820 -0.011867 0.005948 335 C 26 XX 0.003049 0.000759 0.000509 -0.000234 0.000821 336 C 26 YY 0.002300 0.001413 -0.000073 -0.000438 0.000792 337 C 26 ZZ -0.005350 -0.002172 -0.000436 0.000671 -0.001613 338 C 26 XY -0.000190 0.000285 -0.000024 0.000288 -0.000360 339 C 26 XZ -0.000236 -0.000447 -0.000031 -0.000183 0.000962 340 C 26 YZ -0.002980 -0.000575 -0.000973 -0.000262 0.000153 341 H 27 S -0.064251 -0.035981 -0.020848 0.067124 -0.058352 342 H 27 S -0.001580 -0.005364 -0.001675 0.009678 -0.009102 343 H 27 X -0.006615 -0.004056 -0.002042 0.006740 -0.005476 344 H 27 Y -0.006210 -0.003216 -0.001676 0.005293 -0.005367 345 H 27 Z -0.002724 -0.001215 -0.000973 0.001871 -0.001101 346 H 28 S -0.069675 -0.031338 -0.022517 0.056617 -0.052464 347 H 28 S -0.006282 -0.004309 0.001701 0.004292 -0.008453 348 H 28 X -0.001933 -0.000945 -0.000707 0.001093 -0.000869 349 H 28 Y 0.008821 0.004392 0.002661 -0.007132 0.006549 350 H 28 Z -0.004970 -0.002483 -0.001302 0.004048 -0.003794 351 H 29 S -0.064972 -0.036313 -0.021595 0.063168 -0.045210 352 H 29 S -0.005920 -0.003495 -0.002711 0.007939 -0.001264 353 H 29 X 0.008192 0.004496 0.002610 -0.007830 0.006271 354 H 29 Y -0.004196 -0.001767 -0.001095 0.002507 -0.002501 355 H 29 Z -0.003382 -0.001492 -0.001105 0.003159 -0.001920 356 C 30 S -0.009099 -0.003056 -0.005181 0.006714 0.006565 357 C 30 S 0.168655 0.057357 0.090303 -0.134216 -0.095977 358 C 30 S 0.072386 0.026889 0.043325 -0.061563 -0.051003 359 C 30 X 0.000874 0.001000 0.001922 0.007782 0.012760 360 C 30 Y -0.012309 -0.004024 0.002933 -0.007113 -0.001521 361 C 30 Z -0.032914 -0.007091 -0.009783 0.003025 0.002290 362 C 30 X -0.005573 0.000188 0.000268 -0.001562 -0.002864 363 C 30 Y 0.005760 -0.001915 -0.002379 0.003726 -0.003183 364 C 30 Z 0.006325 0.003753 0.001833 -0.012659 -0.002928 365 C 30 XX -0.003197 -0.000708 -0.000997 0.000131 0.000452 366 C 30 YY -0.002584 -0.000373 -0.001245 0.000518 0.001017 367 C 30 ZZ 0.005782 0.001081 0.002242 -0.000649 -0.001469 368 C 30 XY -0.000093 0.000199 0.000123 0.000187 -0.000060 369 C 30 XZ 0.000148 0.000112 -0.000446 -0.000824 -0.001548 370 C 30 YZ 0.002677 0.001024 0.000256 0.000123 0.000330 371 H 31 S 0.074737 0.026965 0.037330 -0.058395 -0.045185 372 H 31 S 0.008920 0.000106 0.005193 -0.003710 -0.007460 373 H 31 X -0.000266 -0.000069 -0.000103 0.000952 0.000964 374 H 31 Y 0.009429 0.003321 0.005025 -0.007401 -0.005679 375 H 31 Z -0.005534 -0.001717 -0.003063 0.004157 0.003135 376 H 32 S 0.068391 0.023947 0.042233 -0.069741 -0.052420 377 H 32 S 0.000045 0.003549 0.006257 -0.008709 -0.009121 378 H 32 X 0.008078 0.002883 0.005215 -0.007887 -0.005974 379 H 32 Y -0.005112 -0.001679 -0.002660 0.004008 0.003855 380 H 32 Z -0.003589 -0.001392 -0.001913 0.002561 0.001369 381 H 33 S 0.070054 0.024910 0.043495 -0.064577 -0.039336 382 H 33 S 0.007653 0.002366 0.005478 -0.008183 -0.001757 383 H 33 X -0.007892 -0.002732 -0.004992 0.007625 0.005109 384 H 33 Y -0.006329 -0.001915 -0.003167 0.004276 0.003058 385 H 33 Z -0.003018 -0.000977 -0.001203 0.002256 0.001166 386 H 34 S 0.042689 -0.075356 0.028091 0.077320 -0.076908 387 H 34 S 0.001697 -0.005969 0.002729 0.008936 -0.008904 388 H 34 X 0.001255 -0.002934 0.001025 0.002604 -0.002579 389 H 34 Y -0.002889 0.005563 -0.001857 -0.004459 0.004162 390 H 34 Z -0.005272 0.009025 -0.003373 -0.009254 0.009107 391 F 35 S -0.000073 -0.001003 0.000857 0.000029 0.001493 392 F 35 S -0.001028 -0.035683 0.032742 0.000794 0.047959 393 F 35 S -0.000690 -0.043648 0.041320 0.000973 0.059489 394 F 35 X 0.000180 0.057037 -0.050229 0.000155 -0.086903 395 F 35 Y 0.015896 -0.022495 -0.033325 -0.022769 -0.009765 396 F 35 Z 0.001086 -0.014943 0.010128 -0.001559 0.027693 397 F 35 X 0.000242 0.033954 -0.029766 0.000210 -0.052380 398 F 35 Y 0.009128 -0.012405 -0.019321 -0.012989 -0.005837 399 F 35 Z 0.000711 -0.011418 0.008526 -0.000970 0.020016 400 F 35 XX -0.000070 0.002813 -0.002213 0.000083 -0.003740 401 F 35 YY 0.000156 -0.001714 0.001053 -0.000170 0.002186 402 F 35 ZZ -0.000086 -0.001099 0.001160 0.000087 0.001554 403 F 35 XY 0.001087 -0.001209 -0.002099 -0.001217 -0.000753 404 F 35 XZ 0.000098 -0.001585 0.001170 -0.000104 0.002480 405 F 35 YZ -0.000378 0.000427 0.000677 0.000385 0.000259 406 F 36 S -0.000003 -0.000232 0.000371 -0.000076 0.000514 407 F 36 S -0.001119 -0.029365 0.027768 0.000007 0.037890 408 F 36 S -0.001821 -0.042864 0.039209 0.001128 0.055802 409 F 36 X -0.001047 0.003364 0.001393 0.002415 0.007567 410 F 36 Y 0.020237 -0.036352 -0.028566 -0.023772 0.006024 411 F 36 Z 0.003416 0.046840 -0.050552 -0.002815 -0.077130 412 F 36 X -0.000411 -0.001246 0.003323 0.001255 0.008184 413 F 36 Y 0.009201 -0.018068 -0.013315 -0.012056 0.003982 414 F 36 Z 0.001944 0.028180 -0.030009 -0.001232 -0.046784 415 F 36 XX -0.000069 -0.001418 0.001380 0.000042 0.002093 416 F 36 YY -0.000206 -0.000994 0.001441 0.000196 0.001829 417 F 36 ZZ 0.000275 0.002412 -0.002821 -0.000238 -0.003922 418 F 36 XY 0.000124 -0.000176 -0.000135 -0.000086 -0.000025 419 F 36 XZ -0.000056 0.000186 0.000071 0.000109 0.000382 420 F 36 YZ 0.001139 -0.002157 -0.001403 -0.001248 0.000547 421 C 37 S 0.006838 0.005387 0.001188 0.009063 -0.010301 422 C 37 S -0.073890 -0.062018 -0.015687 -0.152529 0.169480 423 C 37 S -0.062662 -0.068610 -0.010538 -0.081142 0.087156 424 C 37 X 0.026513 -0.018165 0.010150 0.020941 -0.008297 425 C 37 Y 0.030454 -0.011465 0.001811 -0.024761 0.038416 426 C 37 Z 0.018953 0.004274 0.006165 -0.008291 0.004952 427 C 37 X 0.016426 0.025569 0.001020 -0.001158 0.004262 428 C 37 Y 0.002497 0.004112 0.005239 -0.008184 0.013751 429 C 37 Z -0.001047 0.000276 0.000527 -0.000847 0.000420 430 C 37 XX -0.003303 0.003956 -0.000995 -0.001326 -0.000662 431 C 37 YY -0.001095 -0.005105 0.000389 -0.003821 0.005587 432 C 37 ZZ 0.004398 0.001149 0.000606 0.005147 -0.004924 433 C 37 XY -0.005707 -0.004038 0.000370 0.003025 -0.005013 434 C 37 XZ -0.002668 -0.001003 -0.000548 0.000475 -0.000428 435 C 37 YZ -0.002043 -0.001179 -0.000336 -0.000865 0.001381 436 S 38 S 0.000154 0.000220 -0.000054 0.000105 -0.000222 437 S 38 S 0.000130 -0.001325 -0.000032 0.000383 -0.001113 438 S 38 S 0.081064 0.262587 -0.039027 0.046739 -0.063242 439 S 38 S 0.059532 0.219348 -0.030903 0.041975 -0.045270 440 S 38 X -0.000944 -0.001459 0.000485 0.000559 -0.000274 441 S 38 Y 0.000598 0.004511 -0.000645 0.000157 -0.000657 442 S 38 Z -0.000219 0.000047 -0.000036 0.000051 0.000018 443 S 38 X 0.007015 0.010611 -0.002596 -0.010091 0.007859 444 S 38 Y -0.002241 -0.051963 0.009665 -0.000756 0.003029 445 S 38 Z 0.004909 -0.000764 0.002179 -0.001114 0.001005 446 S 38 X 0.004006 0.001673 -0.003582 -0.006843 0.007638 447 S 38 Y 0.002480 -0.013265 0.000491 -0.002353 -0.000958 448 S 38 Z 0.001922 -0.000126 -0.000588 -0.002388 0.000421 449 S 38 XX 0.003924 -0.003247 0.000281 -0.003315 0.004396 450 S 38 YY -0.000132 0.015043 -0.002537 0.003455 -0.005013 451 S 38 ZZ -0.003792 -0.011795 0.002256 -0.000140 0.000618 452 S 38 XY 0.004347 -0.001482 0.001192 0.006225 -0.005117 453 S 38 XZ 0.000630 0.000012 0.000179 0.000269 -0.000325 454 S 38 YZ -0.001230 0.000554 -0.000426 0.001278 -0.000726 455 S 38 XX 0.000661 -0.000447 0.000042 -0.000505 0.000665 456 S 38 YY 0.000035 0.002664 -0.000357 0.000698 -0.000947 457 S 38 ZZ -0.000696 -0.002217 0.000315 -0.000193 0.000282 458 S 38 XY 0.000846 -0.000149 0.000249 0.001174 -0.000925 459 S 38 XZ 0.000168 0.000062 0.000051 0.000070 -0.000091 460 S 38 YZ -0.000207 0.000084 -0.000095 0.000148 -0.000149 461 H 39 S -0.026128 -0.042620 -0.001738 -0.061741 0.079084 462 H 39 S -0.005918 -0.012442 0.000729 -0.005206 0.008643 463 H 39 X 0.003828 0.005550 0.000348 0.008460 -0.010431 464 H 39 Y -0.000090 -0.001308 -0.000497 -0.002242 0.002732 465 H 39 Z 0.000665 0.000103 0.000183 -0.000518 0.000418 51 52 53 54 55 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S 0.001968 -0.001003 -0.001346 -0.002625 -0.000384 2 C 1 S -0.061423 0.033970 0.030165 0.067000 0.015253 3 C 1 S -0.036776 0.018278 0.030153 0.049522 0.022773 4 C 1 X 0.114461 -0.054840 0.008308 -0.030104 0.053995 5 C 1 Y -0.025960 0.010608 0.025144 0.012143 0.028353 6 C 1 Z -0.009541 0.005303 0.000884 0.001972 -0.002333 7 C 1 X 0.049356 -0.031029 -0.003290 -0.017465 0.018596 8 C 1 Y -0.021480 0.015073 0.015037 0.022233 0.018676 9 C 1 Z -0.005394 0.001909 0.001002 0.003773 -0.001270 10 C 1 XX -0.010731 0.005430 0.001163 0.004949 -0.001614 11 C 1 YY 0.009598 -0.005006 -0.000046 -0.002857 0.002072 12 C 1 ZZ 0.001133 -0.000425 -0.001118 -0.002092 -0.000458 13 C 1 XY 0.000225 0.000226 0.004061 0.004871 0.005658 14 C 1 XZ 0.000905 -0.000343 -0.000010 -0.000299 0.000421 15 C 1 YZ 0.000144 -0.000054 -0.000150 -0.000309 -0.000222 16 C 2 S 0.007639 -0.003391 0.000212 -0.002495 0.002541 17 C 2 S -0.143011 0.071918 -0.008155 0.030615 -0.030357 18 C 2 S -0.071877 0.032432 -0.010551 0.040843 -0.056993 19 C 2 X -0.056159 0.023664 0.016004 0.035138 -0.021316 20 C 2 Y 0.035720 -0.027714 -0.012058 -0.066660 0.010093 21 C 2 Z 0.005324 -0.001869 -0.001120 -0.006975 0.001498 22 C 2 X -0.008753 0.001136 0.000135 0.016734 -0.012910 23 C 2 Y 0.015178 -0.014871 0.002244 -0.005848 -0.022406 24 C 2 Z 0.001319 0.000119 -0.000067 -0.001100 0.001350 25 C 2 XX -0.008298 0.005523 0.003137 0.008416 0.000831 26 C 2 YY 0.004154 -0.004180 -0.003817 -0.008166 -0.002172 27 C 2 ZZ 0.004144 -0.001343 0.000681 -0.000250 0.001341 28 C 2 XY -0.001135 -0.000355 -0.000724 0.000118 -0.002319 29 C 2 XZ 0.000758 -0.000490 -0.000303 -0.000407 -0.000042 30 C 2 YZ -0.000305 0.000392 -0.000218 -0.000402 -0.000209 31 C 3 S -0.005485 0.002315 -0.000869 0.002447 0.000704 32 C 3 S 0.092731 -0.081369 -0.019574 -0.102589 0.021248 33 C 3 S 0.120446 -0.029674 0.008472 -0.003272 -0.005043 34 C 3 X -0.060031 0.000191 -0.043104 -0.062236 -0.099933 35 C 3 Y 0.084402 -0.065722 0.009112 -0.014550 -0.000608 36 C 3 Z -0.000645 0.005070 0.000872 -0.008937 -0.002533 37 C 3 X -0.042524 0.013009 -0.025874 -0.072346 0.021757 38 C 3 Y 0.062896 -0.021224 0.014829 0.036546 -0.042557 39 C 3 Z -0.002938 -0.001342 -0.005679 -0.004916 -0.003078 40 C 3 XX 0.010623 -0.004067 -0.000432 0.000386 0.002694 41 C 3 YY -0.007215 0.000227 -0.001067 -0.003173 -0.003967 42 C 3 ZZ -0.003408 0.003840 0.001500 0.002787 0.001273 43 C 3 XY 0.000103 -0.002526 -0.008923 -0.005050 -0.006798 44 C 3 XZ 0.000974 -0.000685 0.000568 -0.001363 -0.000006 45 C 3 YZ -0.000774 0.000709 -0.000626 -0.000844 -0.000618 46 C 4 S -0.000916 0.001408 0.003185 0.002386 0.003894 47 C 4 S 0.035464 -0.058920 -0.084342 -0.046507 -0.106808 48 C 4 S 0.005305 -0.043118 -0.076954 -0.050822 -0.108113 49 C 4 X -0.011855 0.040493 0.016718 0.045040 0.018593 50 C 4 Y -0.041317 0.000098 -0.040679 0.082183 -0.024272 51 C 4 Z -0.033057 0.081488 0.058310 0.004522 0.043550 52 C 4 X -0.001540 0.019273 0.007295 0.026903 0.001615 53 C 4 Y -0.040311 0.027070 -0.016334 0.034310 0.015358 54 C 4 Z -0.017896 0.065921 0.037011 0.006949 0.038007 55 C 4 XX 0.009226 -0.007891 0.000956 -0.007036 0.002637 56 C 4 YY -0.002783 -0.006848 -0.007797 0.002652 -0.006066 57 C 4 ZZ -0.006442 0.014739 0.006842 0.004384 0.003429 58 C 4 XY 0.000929 -0.001798 -0.000851 -0.007562 -0.003613 59 C 4 XZ -0.000341 -0.000955 -0.000640 -0.000926 -0.000455 60 C 4 YZ 0.001370 0.003715 0.006216 -0.004645 0.003894 61 S 5 S 0.000023 -0.000244 -0.000308 -0.000058 -0.000437 62 S 5 S -0.000349 -0.001515 -0.002369 -0.000408 -0.003111 63 S 5 S 0.083954 -0.036574 0.049159 0.021106 0.091893 64 S 5 S 0.075915 -0.022034 0.056933 0.021230 0.111844 65 S 5 X 0.000315 -0.000450 0.000022 -0.000350 -0.000680 66 S 5 Y -0.000276 0.000465 0.001398 0.001153 0.002152 67 S 5 Z 0.000136 -0.000438 -0.000167 0.000058 -0.000011 68 S 5 X -0.002390 0.005273 0.006803 0.009349 0.018181 69 S 5 Y 0.009592 -0.005796 -0.029666 -0.023513 -0.043329 70 S 5 Z -0.002051 0.005131 0.001920 -0.002589 -0.000555 71 S 5 X 0.000219 -0.003321 0.001599 0.004004 0.004720 72 S 5 Y 0.006634 -0.006648 -0.009723 -0.011715 -0.010420 73 S 5 Z -0.002217 0.001610 -0.000752 -0.001958 0.001133 74 S 5 XX 0.000496 -0.001495 -0.002761 -0.004610 -0.005571 75 S 5 YY 0.001327 -0.001184 0.002265 0.005160 0.005051 76 S 5 ZZ -0.001823 0.002679 0.000496 -0.000550 0.000519 77 S 5 XY -0.006666 0.004490 0.009973 0.008778 0.012361 78 S 5 XZ -0.000516 -0.000408 0.000483 0.002200 0.001267 79 S 5 YZ 0.000543 -0.000194 -0.000925 -0.000939 -0.001409 80 S 5 XX -0.000019 -0.000396 -0.000503 -0.000904 -0.000979 81 S 5 YY 0.000377 -0.000190 0.000367 0.000962 0.000883 82 S 5 ZZ -0.000358 0.000586 0.000136 -0.000058 0.000096 83 S 5 XY -0.001097 0.000739 0.001735 0.001537 0.002349 84 S 5 XZ -0.000084 -0.000164 -0.000032 0.000291 0.000188 85 S 5 YZ 0.000059 0.000109 -0.000046 -0.000089 -0.000136 86 H 6 S -0.067541 0.041149 -0.006268 0.035885 -0.012980 87 H 6 S -0.004286 0.000105 0.004786 0.014203 -0.012245 88 H 6 X -0.007246 0.004061 0.001003 0.003741 -0.001382 89 H 6 Y -0.005558 0.003355 -0.000734 0.001711 -0.000810 90 H 6 Z -0.000168 0.000046 -0.000219 -0.000284 -0.000116 91 C 7 S 0.006428 0.001844 -0.001537 -0.000829 -0.001481 92 C 7 S -0.112240 -0.070581 -0.028254 0.032660 0.097052 93 C 7 S -0.162635 -0.034185 0.026907 -0.006891 0.024031 94 C 7 X 0.044497 -0.013852 -0.057623 0.110743 -0.038997 95 C 7 Y 0.095791 0.052802 -0.012770 0.005775 -0.033928 96 C 7 Z -0.010560 -0.005572 0.001740 -0.019028 -0.000003 97 C 7 X 0.035394 0.015026 -0.048855 0.048227 0.027074 98 C 7 Y 0.056071 0.007379 -0.026209 0.019068 0.028598 99 C 7 Z -0.008418 0.004132 0.003132 -0.010690 -0.001779 100 C 7 XX -0.011835 -0.003665 -0.002766 -0.000390 0.002298 101 C 7 YY 0.007052 -0.000493 0.000849 0.003275 -0.000706 102 C 7 ZZ 0.004784 0.004158 0.001917 -0.002885 -0.001592 103 C 7 XY -0.003905 0.000134 0.009331 -0.005862 0.003505 104 C 7 XZ 0.002958 0.000433 0.000438 -0.000057 -0.001556 105 C 7 YZ 0.001439 -0.000024 -0.000805 0.001548 -0.000696 106 C 8 S -0.000560 0.000343 -0.002605 0.002821 0.000681 107 C 8 S 0.023948 0.011198 0.054700 -0.074903 0.001668 108 C 8 S 0.014615 -0.013675 0.042458 -0.065426 -0.005158 109 C 8 X -0.078693 -0.025323 0.009343 -0.026673 0.044258 110 C 8 Y 0.011832 0.004104 -0.043628 0.048809 -0.033001 111 C 8 Z -0.003926 -0.003902 -0.008709 0.007586 -0.003847 112 C 8 X -0.038942 -0.010988 -0.012062 -0.006987 0.037300 113 C 8 Y -0.004738 0.012274 -0.027448 0.034241 0.001957 114 C 8 Z -0.004259 0.000154 -0.004391 0.005666 0.000531 115 C 8 XX 0.010788 0.003919 0.001398 -0.000248 -0.004491 116 C 8 YY -0.009017 -0.003815 -0.000068 -0.001083 0.003168 117 C 8 ZZ -0.001771 -0.000104 -0.001330 0.001331 0.001323 118 C 8 XY -0.003698 -0.001672 -0.005441 0.006750 -0.000392 119 C 8 XZ 0.000279 -0.000203 -0.000792 0.000969 -0.000512 120 C 8 YZ -0.000720 -0.000090 0.000477 -0.000568 0.000487 121 C 9 S 0.001103 0.001838 0.003129 -0.004085 0.001415 122 C 9 S -0.040063 -0.048756 -0.101571 0.107132 -0.046945 123 C 9 S 0.003173 -0.051577 -0.070212 0.098745 -0.058390 124 C 9 X 0.020800 0.031041 0.008165 -0.022985 -0.034586 125 C 9 Y -0.039818 0.011056 0.028037 0.038227 0.065626 126 C 9 Z -0.046488 -0.079523 -0.066226 0.038395 -0.027907 127 C 9 X 0.009666 0.016307 0.009870 -0.013062 -0.031100 128 C 9 Y -0.025861 -0.021990 0.009491 0.018781 0.004580 129 C 9 Z -0.017284 -0.071723 -0.036277 0.029640 -0.029007 130 C 9 XX -0.010080 -0.006718 -0.001642 0.005516 0.007301 131 C 9 YY 0.002065 -0.007089 -0.005901 -0.000628 -0.007143 132 C 9 ZZ 0.008015 0.013807 0.007542 -0.004888 -0.000158 133 C 9 XY -0.000383 0.001604 0.002311 -0.005813 -0.002515 134 C 9 XZ 0.002138 0.002940 0.001194 -0.001001 -0.001775 135 C 9 YZ -0.000606 0.004309 0.005435 0.000243 0.005910 136 C 10 S 0.006159 -0.001884 -0.003659 0.002280 0.000942 137 C 10 S -0.087815 0.013620 0.071572 -0.069052 -0.015241 138 C 10 S -0.071100 0.037086 0.014773 -0.074455 0.025325 139 C 10 X -0.080874 -0.094380 0.036719 0.015592 0.115010 140 C 10 Y -0.063635 0.000701 -0.064632 -0.086720 0.062377 141 C 10 Z 0.010554 0.015113 -0.012564 -0.010563 -0.016735 142 C 10 X 0.074546 -0.043826 -0.017903 0.065889 0.084402 143 C 10 Y 0.020443 0.007630 -0.048268 -0.007638 0.053120 144 C 10 Z -0.009057 -0.000638 0.001945 -0.007348 -0.013635 145 C 10 XX -0.005999 0.001890 -0.006823 -0.005566 -0.002017 146 C 10 YY 0.004367 0.000103 0.007683 0.003206 0.000301 147 C 10 ZZ 0.001632 -0.001994 -0.000860 0.002360 0.001716 148 C 10 XY -0.009852 -0.003264 0.002738 0.005257 0.003672 149 C 10 XZ 0.001679 -0.001571 0.002558 0.003029 -0.000513 150 C 10 YZ 0.001023 0.000570 -0.001230 -0.000349 -0.001367 151 C 11 S -0.006584 -0.000085 -0.005153 -0.003567 -0.001294 152 C 11 S 0.094631 0.004602 0.061115 0.081991 0.037090 153 C 11 S 0.090075 0.010245 0.038134 0.040186 0.104902 154 C 11 X 0.067594 -0.102274 0.030629 -0.086480 0.057636 155 C 11 Y -0.051473 -0.007667 0.073835 -0.014486 -0.084435 156 C 11 Z 0.005877 0.003860 -0.003059 -0.001163 0.003302 157 C 11 X -0.082212 -0.031098 -0.009097 -0.126095 0.044844 158 C 11 Y 0.000810 -0.003587 0.034699 0.027268 -0.041847 159 C 11 Z 0.001012 0.002570 -0.000168 -0.002104 0.009416 160 C 11 XX 0.008956 -0.000786 -0.006004 0.002362 0.001293 161 C 11 YY -0.006015 0.001955 0.006618 0.000628 0.000274 162 C 11 ZZ -0.002941 -0.001169 -0.000614 -0.002990 -0.001568 163 C 11 XY -0.007336 0.004855 -0.005690 0.006502 0.004580 164 C 11 XZ -0.000206 -0.000872 0.001192 -0.001310 0.000095 165 C 11 YZ 0.000282 0.000334 -0.000299 0.000139 -0.001295 166 C 12 S 0.000715 0.002363 -0.006373 -0.004868 0.004859 167 C 12 S 0.097215 0.071102 -0.135163 -0.031012 0.029384 168 C 12 S 0.112058 0.014851 -0.052241 0.044596 0.004832 169 C 12 X -0.058257 0.080167 0.024309 -0.123041 -0.116092 170 C 12 Y -0.006219 0.034976 -0.090553 -0.094420 0.111250 171 C 12 Z -0.004950 0.025339 -0.044415 -0.043678 -0.002953 172 C 12 X 0.013191 0.025426 -0.014336 -0.032291 -0.026387 173 C 12 Y -0.041135 0.002964 0.008602 -0.036327 0.002551 174 C 12 Z -0.006841 0.000797 0.000603 -0.015336 0.001937 175 C 12 XX -0.005115 -0.001200 0.009936 -0.000028 -0.002546 176 C 12 YY 0.001984 -0.000421 -0.004285 0.000083 0.001727 177 C 12 ZZ 0.003132 0.001620 -0.005650 -0.000055 0.000819 178 C 12 XY -0.003147 -0.007947 0.006319 0.002545 -0.002442 179 C 12 XZ 0.000787 -0.003835 0.004742 0.002817 0.001866 180 C 12 YZ -0.000183 -0.003701 0.005309 0.001872 -0.001456 181 C 13 S -0.000774 -0.005662 0.003250 -0.002633 0.006025 182 C 13 S -0.019739 -0.155338 0.106326 -0.013610 0.038368 183 C 13 S -0.008560 -0.062739 0.039088 0.008206 -0.014659 184 C 13 X -0.001931 0.062348 -0.050065 0.038676 -0.144942 185 C 13 Y 0.111488 -0.007055 -0.000427 0.154941 0.073152 186 C 13 Z 0.013072 0.025904 -0.053141 0.030892 -0.051514 187 C 13 X -0.004365 -0.024708 0.015418 0.004530 -0.022177 188 C 13 Y 0.033236 -0.005589 0.001878 0.049782 0.027468 189 C 13 Z 0.000727 -0.002667 -0.002675 0.011066 -0.015809 190 C 13 XX -0.000571 -0.001549 0.007081 0.000246 0.002772 191 C 13 YY 0.000428 0.007611 -0.015697 -0.000812 -0.003448 192 C 13 ZZ 0.000142 -0.006062 0.008616 0.000566 0.000677 193 C 13 XY 0.005592 -0.001354 0.002009 -0.001276 -0.000672 194 C 13 XZ 0.000595 0.003270 -0.001912 0.000111 0.000483 195 C 13 YZ 0.004765 0.001152 -0.002729 0.001299 -0.000537 196 C 14 S 0.000131 0.001876 -0.006014 -0.000935 0.007178 197 C 14 S -0.080906 0.082856 -0.134306 -0.020999 0.048318 198 C 14 S -0.110400 0.038583 -0.053943 -0.050286 -0.014703 199 C 14 X 0.078591 0.072070 0.003469 0.170875 0.048530 200 C 14 Y -0.005156 -0.027621 0.095704 0.042399 -0.149469 201 C 14 Z 0.015732 0.019952 -0.025252 0.034926 0.019718 202 C 14 X -0.004425 0.032537 -0.019861 0.043038 0.019292 203 C 14 Y -0.040798 0.006464 -0.008784 -0.023464 -0.030345 204 C 14 Z 0.001160 -0.000087 0.001017 0.008318 0.003868 205 C 14 XX 0.004997 -0.003523 0.010122 0.004206 -0.003765 206 C 14 YY -0.002505 0.000801 -0.003609 -0.001692 0.001428 207 C 14 ZZ -0.002492 0.002721 -0.006513 -0.002515 0.002337 208 C 14 XY 0.000220 0.008698 -0.005043 0.001550 0.004072 209 C 14 XZ -0.000413 -0.003015 0.005042 -0.001634 -0.000874 210 C 14 YZ 0.000671 0.002809 -0.004108 -0.000470 0.001848 211 F 15 S -0.000325 -0.000871 0.001825 0.000546 -0.000515 212 F 15 S -0.035336 -0.025573 0.058175 0.012109 -0.015209 213 F 15 S -0.055375 -0.032286 0.077769 0.013172 -0.019225 214 F 15 X -0.006333 0.052211 -0.031627 -0.099765 -0.056570 215 F 15 Y -0.011130 0.008513 -0.030665 -0.063441 0.081055 216 F 15 Z -0.082494 -0.046471 0.157865 0.021893 -0.080901 217 F 15 X -0.004192 0.029277 -0.018054 -0.061357 -0.033141 218 F 15 Y -0.002824 0.005542 -0.021954 -0.038622 0.053662 219 F 15 Z -0.049470 -0.030945 0.102657 0.017018 -0.053264 220 F 15 XX -0.002061 -0.000308 0.003064 -0.000755 -0.002188 221 F 15 YY -0.001881 -0.001473 0.003908 0.001360 -0.002022 222 F 15 ZZ 0.003942 0.001781 -0.006972 -0.000605 0.004210 223 F 15 XY -0.000051 -0.000181 -0.000299 -0.000241 0.001035 224 F 15 XZ -0.000414 -0.002823 0.002846 0.004175 0.001405 225 F 15 YZ 0.000764 -0.000314 0.000817 0.002357 -0.002663 226 F 16 S -0.001204 -0.000533 0.001734 0.000491 -0.001433 227 F 16 S -0.038772 -0.021566 0.060351 0.015302 -0.049022 228 F 16 S -0.050024 -0.029518 0.082253 0.020241 -0.069458 229 F 16 X -0.008391 0.052033 -0.043234 -0.118852 -0.027291 230 F 16 Y -0.082060 -0.025274 0.122540 -0.013327 -0.137801 231 F 16 Z 0.035971 0.034444 -0.118910 -0.072383 0.112247 232 F 16 X -0.004973 0.030400 -0.024596 -0.073318 -0.017974 233 F 16 Y -0.047758 -0.015582 0.076718 -0.005884 -0.088608 234 F 16 Z 0.024467 0.021981 -0.077484 -0.046797 0.073192 235 F 16 XX -0.002191 -0.000108 0.003141 -0.000972 -0.003894 236 F 16 YY 0.002985 0.000102 -0.003083 0.001949 0.003921 237 F 16 ZZ -0.000794 0.000006 -0.000059 -0.000976 -0.000027 238 F 16 XY -0.000415 -0.002267 0.002536 0.003852 -0.000335 239 F 16 XZ 0.000250 0.001438 -0.001961 -0.002772 0.000674 240 F 16 YZ -0.002762 -0.001673 0.006279 0.002271 -0.005774 241 F 17 S 0.000947 -0.000538 0.001473 0.000862 -0.000975 242 F 17 S 0.034406 -0.026732 0.057895 0.031360 -0.041155 243 F 17 S 0.046012 -0.038014 0.080787 0.044914 -0.059922 244 F 17 X 0.031273 0.040241 -0.023185 0.113538 0.062993 245 F 17 Y -0.066469 0.035456 -0.093569 -0.090472 0.044573 246 F 17 Z -0.042683 0.049097 -0.137927 -0.064185 0.155387 247 F 17 X 0.018460 0.022655 -0.011566 0.070696 0.037824 248 F 17 Y -0.038019 0.020847 -0.057504 -0.055887 0.029314 249 F 17 Z -0.027944 0.030996 -0.089171 -0.041884 0.101491 250 F 17 XX 0.002018 -0.001112 0.003491 0.002880 -0.002478 251 F 17 YY -0.001847 0.000265 -0.000915 -0.002229 -0.001028 252 F 17 ZZ -0.000171 0.000847 -0.002576 -0.000651 0.003507 253 F 17 XY 0.000908 0.001581 -0.000977 0.003122 0.002033 254 F 17 XZ 0.000695 0.001414 -0.001097 0.002526 0.002202 255 F 17 YZ -0.003036 0.002392 -0.006445 -0.003787 0.005491 256 F 18 S 0.000146 -0.000898 0.001863 0.000339 -0.000937 257 F 18 S 0.028872 -0.029698 0.058287 0.014651 -0.026377 258 F 18 S 0.046334 -0.038831 0.076962 0.021705 -0.032830 259 F 18 X 0.018564 0.050958 -0.047385 0.095535 0.079145 260 F 18 Y -0.025145 0.012245 -0.012764 0.007440 -0.070827 261 F 18 Z 0.068018 -0.053601 0.153777 0.085186 -0.102912 262 F 18 X 0.010587 0.027963 -0.027550 0.057212 0.050299 263 F 18 Y -0.011496 0.006831 -0.006191 0.007520 -0.044553 264 F 18 Z 0.040722 -0.035223 0.100888 0.054024 -0.068845 265 F 18 XX 0.001979 -0.000461 0.002648 0.002785 -0.000582 266 F 18 YY 0.000986 -0.001361 0.003470 0.001387 -0.003717 267 F 18 ZZ -0.002965 0.001822 -0.006118 -0.004172 0.004299 268 F 18 XY 0.000099 0.000968 -0.000692 0.001461 0.000328 269 F 18 XZ -0.000142 -0.002703 0.003451 -0.002682 -0.003856 270 F 18 YZ 0.001945 -0.001103 0.002389 0.000911 0.001056 271 C 19 S 0.003840 0.001484 0.002625 -0.003164 -0.000002 272 C 19 S -0.065195 -0.024150 -0.053622 0.057205 0.007324 273 C 19 S -0.035458 -0.017599 -0.025845 0.034818 -0.008769 274 C 19 X -0.017490 -0.006866 -0.007982 0.011621 0.013844 275 C 19 Y -0.003409 -0.002686 -0.023712 0.038824 -0.003448 276 C 19 Z -0.001361 -0.000964 -0.003551 0.005375 -0.000149 277 C 19 X -0.003619 0.000895 -0.005069 0.008254 0.005221 278 C 19 Y -0.006926 -0.002307 -0.013433 0.015195 0.005401 279 C 19 Z -0.000406 -0.001383 -0.003089 0.002529 0.000883 280 C 19 XX 0.001187 0.000376 -0.000808 0.000812 -0.000524 281 C 19 YY -0.001157 -0.000173 0.002390 -0.003433 0.000862 282 C 19 ZZ -0.000030 -0.000203 -0.001581 0.002621 -0.000338 283 C 19 XY 0.002248 0.001004 0.002091 -0.003224 -0.001046 284 C 19 XZ 0.000321 0.000240 0.000400 -0.000522 -0.000098 285 C 19 YZ -0.000023 0.000050 0.000663 -0.001005 0.000150 286 H 20 S -0.043337 -0.016348 -0.029731 0.032811 0.013644 287 H 20 S -0.007421 -0.004025 -0.005785 0.005594 0.002813 288 H 20 X 0.005114 0.001911 0.003553 -0.003901 -0.001138 289 H 20 Y -0.001715 -0.000700 -0.001263 0.001598 0.000470 290 H 20 Z -0.000002 0.000057 0.000067 0.000006 -0.000019 291 H 21 S -0.031291 -0.012079 -0.035083 0.043076 0.000765 292 H 21 S -0.003871 -0.002132 -0.005847 0.008448 -0.000461 293 H 21 X -0.001289 -0.000537 -0.000988 0.001163 0.000437 294 H 21 Y 0.002931 0.001201 0.002408 -0.002419 -0.000372 295 H 21 Z -0.003112 -0.001146 -0.003487 0.004281 0.000046 296 C 22 S -0.005593 0.002614 0.001883 0.003006 0.001429 297 C 22 S 0.103371 -0.051596 -0.035528 -0.057991 -0.019561 298 C 22 S 0.057274 -0.023248 -0.020829 -0.029782 -0.014293 299 C 22 X 0.021089 -0.012158 -0.002947 -0.021045 0.006795 300 C 22 Y -0.009412 0.007235 0.015040 0.031069 0.018339 301 C 22 Z -0.002083 0.001431 0.000980 0.002634 0.000366 302 C 22 X 0.006226 -0.003759 -0.002320 -0.010229 0.000736 303 C 22 Y -0.011670 0.009390 0.006235 0.015027 0.005845 304 C 22 Z -0.000254 0.001194 0.000439 0.000088 0.000317 305 C 22 XX -0.001363 0.000477 -0.000901 -0.000600 -0.001850 306 C 22 YY 0.000190 0.000337 0.001583 0.002924 0.001998 307 C 22 ZZ 0.001173 -0.000814 -0.000682 -0.002324 -0.000148 308 C 22 XY 0.002786 -0.001673 -0.000798 -0.003218 -0.000180 309 C 22 XZ 0.000259 -0.000091 0.000004 -0.000274 0.000050 310 C 22 YZ -0.000262 0.000236 0.000174 0.000426 0.000122 311 H 23 S 0.046638 -0.023833 -0.024400 -0.036561 -0.022947 312 H 23 S 0.005575 -0.002508 -0.004789 -0.007956 -0.003932 313 H 23 X 0.004374 -0.002243 -0.002286 -0.003675 -0.001903 314 H 23 Y 0.004719 -0.002389 -0.001975 -0.002748 -0.001451 315 H 23 Z 0.000054 -0.000071 -0.000042 0.000029 -0.000047 316 H 24 S 0.059182 -0.030561 -0.020381 -0.040875 -0.009424 317 H 24 S 0.007805 -0.004267 -0.003052 -0.006872 -0.001426 318 H 24 X -0.004108 0.002035 0.001610 0.002652 0.001035 319 H 24 Y 0.000819 -0.000338 -0.000015 0.000036 0.000250 320 H 24 Z -0.006467 0.003318 0.002082 0.004130 0.000890 321 H 25 S 0.060276 -0.031198 -0.020372 -0.041065 -0.008901 322 H 25 S 0.008622 -0.004746 -0.003566 -0.007884 -0.001751 323 H 25 X -0.003697 0.001803 0.001451 0.002408 0.000968 324 H 25 Y 0.000042 0.000021 0.000207 0.000508 0.000319 325 H 25 Z 0.006839 -0.003526 -0.002198 -0.004290 -0.000939 326 C 26 S -0.005187 -0.011510 -0.007288 0.003942 -0.002267 327 C 26 S 0.093954 0.168531 0.110544 -0.073092 0.026747 328 C 26 S 0.056572 0.102829 0.080433 -0.049517 0.016596 329 C 26 X 0.003556 0.006160 -0.000653 -0.003154 -0.008105 330 C 26 Y -0.009483 0.004211 0.000843 0.015801 0.011210 331 C 26 Z -0.012085 -0.027724 -0.041921 0.041111 -0.021874 332 C 26 X -0.002065 -0.001984 0.000269 0.003060 -0.000653 333 C 26 Y 0.004010 -0.006171 -0.007027 -0.000149 -0.004378 334 C 26 Z -0.009464 -0.010811 -0.012898 0.017944 -0.008956 335 C 26 XX 0.001355 0.000928 0.002256 -0.002933 0.001060 336 C 26 YY 0.000496 0.001274 0.002773 -0.002290 0.002017 337 C 26 ZZ -0.001851 -0.002202 -0.005029 0.005224 -0.003076 338 C 26 XY 0.000130 0.000017 -0.000271 -0.000063 -0.000072 339 C 26 XZ 0.000205 0.000550 -0.000125 -0.000194 -0.000489 340 C 26 YZ -0.000524 -0.000423 -0.001180 0.002151 0.000726 341 H 27 S 0.051321 0.082508 0.064664 -0.051785 0.017304 342 H 27 S 0.008413 0.012130 0.007417 -0.007514 -0.001198 343 H 27 X 0.005254 0.008390 0.005923 -0.004947 0.000864 344 H 27 Y 0.003941 0.007683 0.005693 -0.003516 0.001656 345 H 27 Z 0.001270 0.002092 0.000989 -0.000625 -0.000285 346 H 28 S 0.045159 0.096002 0.071473 -0.042035 0.029451 347 H 28 S 0.002792 0.017858 0.015082 -0.005857 0.006698 348 H 28 X 0.001301 0.002654 0.001469 -0.001109 0.000494 349 H 28 Y -0.005510 -0.011105 -0.007777 0.004760 -0.002961 350 H 28 Z 0.002904 0.005290 0.003426 -0.001917 0.000779 351 H 29 S 0.053520 0.092787 0.065166 -0.053199 0.012323 352 H 29 S 0.009270 0.013653 0.010108 -0.011466 0.003149 353 H 29 X -0.006105 -0.010903 -0.007321 0.005815 -0.001426 354 H 29 Y 0.002055 0.005415 0.003610 -0.001959 0.001261 355 H 29 Z 0.001863 0.002498 0.001515 -0.001091 0.000343 356 C 30 S 0.002875 -0.011735 -0.006322 -0.001243 -0.004361 357 C 30 S -0.065463 0.171466 0.095390 0.032454 0.065224 358 C 30 S -0.031884 0.108031 0.067116 0.019751 0.046193 359 C 30 X -0.000951 0.008700 0.002557 0.009170 0.002887 360 C 30 Y -0.010743 -0.001209 -0.004115 0.021084 0.002833 361 C 30 Z -0.008745 0.029152 0.037502 0.014507 0.045937 362 C 30 X -0.000137 -0.002793 0.001913 -0.000452 -0.001095 363 C 30 Y 0.006790 0.006927 0.005305 -0.003496 0.000709 364 C 30 Z -0.013200 0.012921 0.008257 0.008269 0.019252 365 C 30 XX -0.001347 0.001023 0.001569 0.001321 0.002970 366 C 30 YY -0.000677 0.001524 0.002570 0.000428 0.003085 367 C 30 ZZ 0.002024 -0.002547 -0.004139 -0.001749 -0.006055 368 C 30 XY -0.000115 -0.000184 0.000157 0.000006 -0.000410 369 C 30 XZ 0.000071 -0.000767 -0.000363 -0.001009 -0.001002 370 C 30 YZ 0.000344 -0.000890 -0.000935 -0.002106 -0.000783 371 H 31 S -0.029378 0.097887 0.064337 0.009642 0.049004 372 H 31 S 0.003128 0.016861 0.014149 -0.000745 0.008670 373 H 31 X 0.000179 -0.000271 -0.000514 0.000231 -0.000095 374 H 31 Y -0.003672 0.011305 0.007089 0.001409 0.005378 375 H 31 Z 0.002005 -0.005630 -0.002916 -0.000900 -0.002003 376 H 32 S -0.037669 0.085257 0.054602 0.021972 0.045218 377 H 32 S -0.006511 0.010033 0.012134 0.005197 0.003557 378 H 32 X -0.004225 0.009617 0.006330 0.002806 0.004284 379 H 32 Y 0.001765 -0.005956 -0.004065 -0.000478 -0.002393 380 H 32 Z 0.001295 -0.002853 -0.001355 -0.000718 -0.000488 381 H 33 S -0.038014 0.094927 0.055011 0.031874 0.045377 382 H 33 S -0.006933 0.013524 0.008194 0.007681 0.009907 383 H 33 X 0.004041 -0.009880 -0.005590 -0.003135 -0.004418 384 H 33 Y 0.001905 -0.007494 -0.004372 -0.001322 -0.003120 385 H 33 Z 0.000915 -0.001658 -0.000689 -0.000233 -0.000297 386 H 34 S -0.031460 -0.012125 -0.035313 0.043460 0.000448 387 H 34 S -0.004160 -0.000806 -0.004349 0.007583 -0.000570 388 H 34 X -0.001654 -0.000627 -0.001311 0.001612 0.000411 389 H 34 Y 0.002180 0.000814 0.001492 -0.001363 -0.000349 390 H 34 Z 0.003550 0.001291 0.003810 -0.004584 -0.000062 391 F 35 S 0.000191 0.002338 -0.001485 0.000608 -0.001641 392 F 35 S 0.008155 0.070482 -0.042056 0.016499 -0.045167 393 F 35 S 0.011189 0.089915 -0.054087 0.021906 -0.060946 394 F 35 X -0.020226 -0.147216 0.098689 -0.049975 0.109336 395 F 35 Y 0.054104 -0.020392 0.010886 0.129585 0.091988 396 F 35 Z 0.012007 0.066382 -0.071126 0.054023 -0.125951 397 F 35 X -0.012208 -0.090984 0.060830 -0.032491 0.071594 398 F 35 Y 0.031043 -0.012716 0.006857 0.079525 0.057427 399 F 35 Z 0.007742 0.044090 -0.045823 0.034659 -0.081606 400 F 35 XX -0.000977 -0.005819 0.003486 -0.001950 0.003393 401 F 35 YY 0.000849 0.003687 -0.002639 0.001918 -0.002761 402 F 35 ZZ 0.000129 0.002132 -0.000847 0.000032 -0.000632 403 F 35 XY 0.002454 -0.001380 0.000768 0.004630 0.003708 404 F 35 XZ 0.000834 0.004810 -0.004106 0.002641 -0.005966 405 F 35 YZ -0.000732 0.000558 -0.000449 -0.001280 -0.001491 406 F 36 S 0.000193 0.001278 -0.001450 0.000132 -0.000549 407 F 36 S 0.007567 0.057651 -0.051101 0.007226 -0.023923 408 F 36 S 0.010079 0.082423 -0.072586 0.010416 -0.034556 409 F 36 X -0.001768 0.029453 -0.019724 0.030136 -0.118552 410 F 36 Y 0.054163 0.010358 -0.015048 0.123856 0.050139 411 F 36 Z -0.012083 -0.138835 0.139422 -0.016290 0.096808 412 F 36 X -0.000156 0.022209 -0.015562 0.019201 -0.075352 413 F 36 Y 0.029276 0.007287 -0.010011 0.076353 0.031123 414 F 36 Z -0.007938 -0.086455 0.087851 -0.011492 0.063864 415 F 36 XX 0.000409 0.003507 -0.003111 0.000714 -0.002280 416 F 36 YY -0.000009 0.003129 -0.002998 -0.000137 -0.002379 417 F 36 ZZ -0.000400 -0.006636 0.006109 -0.000577 0.004660 418 F 36 XY 0.000109 -0.000096 0.000071 -0.000029 0.000449 419 F 36 XZ -0.000078 0.001341 -0.000863 0.001164 -0.004456 420 F 36 YZ 0.002711 0.000899 -0.001061 0.005041 0.001602 421 C 37 S 0.003371 -0.000115 -0.003512 0.003366 -0.002573 422 C 37 S -0.056625 -0.018243 0.033251 -0.043438 0.028967 423 C 37 S -0.045013 0.018817 0.023585 -0.028734 0.047924 424 C 37 X -0.003633 0.005162 0.019267 -0.039635 0.011537 425 C 37 Y 0.011007 0.007133 0.064449 -0.086026 0.033676 426 C 37 Z -0.004246 -0.007904 0.001062 -0.008331 0.000603 427 C 37 X 0.010945 -0.016715 0.002730 -0.008472 -0.014244 428 C 37 Y 0.007910 0.012086 0.017414 -0.013231 -0.005979 429 C 37 Z 0.000238 0.002634 0.002945 -0.002914 -0.002176 430 C 37 XX -0.001357 -0.000571 -0.002346 0.004924 0.000899 431 C 37 YY -0.001055 -0.000801 0.001482 -0.003959 -0.000650 432 C 37 ZZ 0.002413 0.001372 0.000863 -0.000965 -0.000250 433 C 37 XY -0.005078 -0.002849 -0.007543 0.009435 -0.001834 434 C 37 XZ -0.000239 0.000830 -0.000110 0.001825 0.000601 435 C 37 YZ -0.000208 0.000379 0.000111 0.000532 0.000207 436 S 38 S 0.000057 -0.000019 -0.000023 0.000191 0.000159 437 S 38 S -0.000602 -0.000373 -0.000189 0.001250 0.001033 438 S 38 S 0.188229 0.066374 -0.005880 0.015097 -0.078029 439 S 38 S 0.169817 0.067151 -0.004840 0.004467 -0.090086 440 S 38 X -0.002467 -0.000691 -0.000223 0.000164 0.000845 441 S 38 Y 0.000372 -0.000202 -0.000420 0.000782 0.001331 442 S 38 Z -0.000041 0.000001 0.000104 0.000119 -0.000021 443 S 38 X 0.035182 0.008741 0.013623 -0.003557 -0.021560 444 S 38 Y 0.013117 0.008008 0.011911 -0.013822 -0.030908 445 S 38 Z -0.001128 -0.001776 -0.001442 -0.002862 -0.002110 446 S 38 X 0.010956 0.002956 0.000273 -0.005356 0.000799 447 S 38 Y 0.006833 0.001707 0.002577 -0.004647 -0.007410 448 S 38 Z 0.000587 -0.001750 -0.002031 -0.000895 0.001265 449 S 38 XX 0.012019 0.005421 0.006071 -0.007788 -0.008453 450 S 38 YY -0.007081 -0.004271 -0.006729 0.007864 0.008726 451 S 38 ZZ -0.004938 -0.001150 0.000657 -0.000075 -0.000272 452 S 38 XY -0.002588 0.000697 -0.000573 -0.002663 0.001801 453 S 38 XZ 0.000129 -0.000119 -0.000013 -0.000087 -0.000461 454 S 38 YZ 0.000550 0.000863 0.000155 0.000754 0.000180 455 S 38 XX 0.002037 0.000815 0.001138 -0.001266 -0.001678 456 S 38 YY -0.001154 -0.000628 -0.001196 0.001410 0.001704 457 S 38 ZZ -0.000883 -0.000188 0.000058 -0.000143 -0.000026 458 S 38 XY -0.000398 0.000081 -0.000129 -0.000467 0.000227 459 S 38 XZ 0.000071 -0.000018 -0.000016 0.000028 -0.000100 460 S 38 YZ 0.000091 0.000062 0.000008 0.000212 0.000088 461 H 39 S -0.034072 -0.005937 0.022892 -0.038333 0.020692 462 H 39 S -0.007961 0.006050 0.006949 -0.006551 0.008751 463 H 39 X 0.004346 0.001294 -0.002556 0.003890 -0.001937 464 H 39 Y -0.000069 0.000067 0.002203 -0.003627 0.001208 465 H 39 Z -0.000167 -0.000352 -0.000116 -0.000301 -0.000045 56 57 58 59 60 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S 0.000557 -0.001791 0.000432 -0.003784 0.000769 2 C 1 S -0.015750 0.043931 -0.000211 0.140636 -0.033792 3 C 1 S -0.024215 0.038913 -0.012578 0.135464 -0.039421 4 C 1 X -0.017089 0.007493 0.039361 -0.076077 0.004955 5 C 1 Y -0.014033 0.008042 0.020823 -0.018626 0.002518 6 C 1 Z 0.000259 -0.000048 -0.001908 0.004786 0.000922 7 C 1 X -0.009212 -0.001947 0.026130 -0.036230 0.004037 8 C 1 Y -0.007245 0.019884 0.012607 0.010999 0.005394 9 C 1 Z -0.000451 0.001917 -0.000974 0.004070 -0.001372 10 C 1 XX 0.000334 0.002022 -0.002464 0.005969 -0.001168 11 C 1 YY -0.001032 -0.000521 0.002371 -0.002594 0.000395 12 C 1 ZZ 0.000698 -0.001501 0.000093 -0.003375 0.000773 13 C 1 XY -0.001215 0.003635 0.001071 0.000743 -0.000976 14 C 1 XZ 0.000207 -0.000191 0.000286 -0.001058 0.000311 15 C 1 YZ 0.000025 -0.000219 0.000123 0.000056 0.000081 16 C 2 S -0.001744 -0.000280 0.000569 0.001044 -0.000705 17 C 2 S 0.021142 -0.004240 -0.029833 -0.030428 0.009815 18 C 2 S 0.039015 -0.002676 0.002666 -0.036236 0.022118 19 C 2 X -0.013392 0.014753 -0.007515 0.160842 -0.027248 20 C 2 Y -0.012562 -0.030091 0.045258 -0.105328 0.020989 21 C 2 Z -0.002412 -0.002210 0.000691 -0.013361 0.002719 22 C 2 X -0.001408 0.012319 0.004987 0.029379 -0.000502 23 C 2 Y 0.004987 -0.007752 0.009194 -0.033048 0.001975 24 C 2 Z 0.000719 0.000288 -0.001886 -0.003181 0.001549 25 C 2 XX 0.000138 0.004065 -0.001793 0.013852 -0.002424 26 C 2 YY 0.000604 -0.004726 0.002350 -0.014891 0.002862 27 C 2 ZZ -0.000742 0.000661 -0.000557 0.001040 -0.000438 28 C 2 XY 0.000239 -0.001141 -0.001200 0.001239 0.000920 29 C 2 XZ 0.000204 -0.000191 -0.000008 -0.000873 0.000499 30 C 2 YZ -0.000444 -0.000351 -0.000704 -0.001040 -0.000259 31 C 3 S -0.000030 -0.001691 -0.002111 0.003266 -0.001206 32 C 3 S -0.026917 -0.023477 0.050348 -0.085754 0.005930 33 C 3 S 0.001433 0.066536 0.053259 -0.071871 0.048620 34 C 3 X 0.003543 -0.079840 -0.009146 0.046105 0.019597 35 C 3 Y -0.025799 0.014068 0.002477 0.138433 -0.029347 36 C 3 Z -0.009626 -0.006235 -0.009194 0.004981 -0.003018 37 C 3 X -0.004485 -0.081516 0.006218 0.024359 -0.024360 38 C 3 Y 0.019413 0.022916 0.017820 0.059978 0.004803 39 C 3 Z -0.000202 -0.005564 0.001891 0.006542 0.004909 40 C 3 XX -0.000206 0.001888 0.001373 0.001836 -0.000253 41 C 3 YY 0.000021 -0.002347 -0.000793 -0.003148 0.001499 42 C 3 ZZ 0.000185 0.000459 -0.000581 0.001312 -0.001246 43 C 3 XY 0.002894 -0.007128 -0.001897 0.000307 0.000611 44 C 3 XZ 0.000926 -0.000585 0.003134 0.000702 0.001567 45 C 3 YZ -0.000890 -0.001149 -0.000677 0.000265 -0.000314 46 C 4 S -0.001045 0.002262 0.001237 -0.001322 -0.000097 47 C 4 S 0.032338 -0.056916 -0.048049 0.070538 0.004748 48 C 4 S 0.025620 -0.057627 -0.054686 0.051556 0.005733 49 C 4 X 0.029743 0.017309 -0.029666 -0.063100 0.008225 50 C 4 Y 0.034075 0.040343 -0.045679 0.043352 -0.015404 51 C 4 Z -0.016418 0.006396 0.020223 -0.019104 0.001687 52 C 4 X 0.019093 0.008537 -0.017457 -0.026617 0.011080 53 C 4 Y 0.023487 0.011274 -0.005314 0.026521 -0.017857 54 C 4 Z -0.008894 0.010112 0.011941 -0.007834 -0.009656 55 C 4 XX -0.002901 -0.002192 0.002315 -0.001706 0.000135 56 C 4 YY 0.002744 -0.000030 -0.001622 0.000507 0.000373 57 C 4 ZZ 0.000158 0.002221 -0.000693 0.001199 -0.000508 58 C 4 XY -0.001862 -0.002664 0.000998 0.000816 -0.000426 59 C 4 XZ -0.001217 -0.000275 0.002056 0.002978 -0.000313 60 C 4 YZ -0.002890 -0.001649 0.003782 -0.003499 0.001115 61 S 5 S 0.000096 -0.000103 -0.000285 0.000311 -0.000021 62 S 5 S 0.000711 -0.000658 -0.001980 0.001697 -0.000121 63 S 5 S -0.013348 0.029021 0.026126 -0.108788 0.010881 64 S 5 S -0.013678 0.031273 0.036774 -0.130137 0.006550 65 S 5 X -0.000113 -0.000448 -0.000146 0.000969 0.000254 66 S 5 Y -0.001027 0.001407 0.001428 0.001287 -0.000681 67 S 5 Z -0.000031 0.000103 0.000090 0.000240 -0.000151 68 S 5 X -0.002979 0.014349 0.006531 -0.029315 0.000555 69 S 5 Y 0.028231 -0.030853 -0.034650 -0.033038 0.015084 70 S 5 Z 0.001031 -0.004582 -0.000235 -0.004722 0.002909 71 S 5 X -0.002474 0.006956 -0.000407 -0.017353 0.002789 72 S 5 Y 0.005513 -0.011980 -0.008138 -0.014386 0.006736 73 S 5 Z 0.000659 -0.002162 0.001095 -0.001583 0.001636 74 S 5 XX 0.001282 -0.005080 -0.000916 0.001973 0.001355 75 S 5 YY -0.001387 0.005039 0.001093 0.002236 -0.002135 76 S 5 ZZ 0.000105 0.000041 -0.000177 -0.004209 0.000780 77 S 5 XY -0.007312 0.009618 0.008572 0.008630 -0.004193 78 S 5 XZ -0.000943 0.002506 0.000572 0.000985 -0.001018 79 S 5 YZ 0.001078 -0.001431 -0.001168 -0.001383 0.000526 80 S 5 XX 0.000120 -0.000938 -0.000211 0.000182 0.000269 81 S 5 YY -0.000154 0.000928 0.000192 0.000475 -0.000365 82 S 5 ZZ 0.000034 0.000010 0.000019 -0.000658 0.000095 83 S 5 XY -0.001355 0.001720 0.001610 0.001514 -0.000754 84 S 5 XZ -0.000088 0.000350 0.000123 0.000250 -0.000164 85 S 5 YZ 0.000161 -0.000208 -0.000173 -0.000262 0.000104 86 H 6 S 0.026267 0.005016 -0.038086 -0.041879 0.009016 87 H 6 S 0.004478 0.003707 -0.015006 -0.016606 -0.002929 88 H 6 X 0.001380 0.001494 -0.003059 0.000734 -0.000532 89 H 6 Y 0.001795 -0.000296 -0.002669 -0.005943 0.000974 90 H 6 Z -0.000087 -0.000059 0.000012 -0.000351 0.000117 91 C 7 S 0.001170 0.002877 -0.001866 0.002517 -0.001726 92 C 7 S -0.044682 0.000989 0.078024 -0.071192 0.018227 93 C 7 S -0.011616 -0.089680 0.056514 -0.081339 0.034765 94 C 7 X 0.011623 0.066587 0.000074 0.028531 -0.017344 95 C 7 Y 0.036145 0.012389 -0.028116 -0.081710 0.001658 96 C 7 Z -0.004296 -0.005446 -0.018161 0.001297 0.007220 97 C 7 X 0.014086 0.069080 0.028974 0.011650 -0.022148 98 C 7 Y -0.014464 0.039232 -0.009864 -0.044776 -0.001261 99 C 7 Z -0.003353 -0.010997 -0.007797 -0.000168 -0.000951 100 C 7 XX 0.000956 -0.001315 0.001505 -0.003397 -0.000254 101 C 7 YY -0.000732 0.000786 0.000958 0.000641 -0.000086 102 C 7 ZZ -0.000224 0.000529 -0.002462 0.002756 0.000341 103 C 7 XY -0.003800 -0.004161 0.001527 0.001170 0.000894 104 C 7 XZ 0.002084 -0.001184 0.000101 0.001309 -0.001004 105 C 7 YZ 0.001095 0.000070 0.000902 0.000093 -0.000468 106 C 8 S 0.001839 0.001762 0.000148 -0.003350 -0.000767 107 C 8 S -0.033820 -0.041900 0.024019 0.127157 -0.003402 108 C 8 S -0.047106 -0.039898 0.018448 0.124437 0.004575 109 C 8 X -0.020718 -0.018562 0.031623 -0.041336 0.013191 110 C 8 Y 0.025249 0.017701 -0.032674 0.020261 -0.007841 111 C 8 Z 0.003398 0.001758 -0.004104 0.003690 -0.000728 112 C 8 X 0.001746 0.001532 0.029548 -0.042964 -0.006456 113 C 8 Y 0.020739 0.023111 -0.008487 -0.005212 -0.008327 114 C 8 Z 0.003156 0.001637 -0.001123 -0.001146 -0.000235 115 C 8 XX 0.000468 -0.000507 -0.002732 0.005809 -0.000116 116 C 8 YY -0.001478 -0.000605 0.002497 -0.001244 0.000184 117 C 8 ZZ 0.001010 0.001112 0.000235 -0.004565 -0.000067 118 C 8 XY 0.001717 0.002886 -0.000121 -0.003212 -0.000332 119 C 8 XZ 0.000247 0.000358 -0.000237 0.000533 -0.000222 120 C 8 YZ -0.000430 -0.000091 0.000474 -0.000202 0.000052 121 C 9 S -0.000498 -0.001682 0.001705 0.000245 0.000149 122 C 9 S 0.044212 0.051474 -0.035260 0.005194 -0.016566 123 C 9 S 0.013406 0.045269 -0.061021 -0.000558 -0.003364 124 C 9 X 0.045472 -0.001559 -0.064470 -0.055771 -0.001085 125 C 9 Y -0.020396 0.037415 0.045008 -0.085527 0.001024 126 C 9 Z 0.015857 0.008192 -0.017095 0.020906 -0.002020 127 C 9 X 0.026765 -0.005456 -0.036832 -0.031169 0.000047 128 C 9 Y -0.015698 0.003806 0.010519 -0.039596 0.009901 129 C 9 Z -0.003789 0.011075 -0.021908 0.005108 0.012059 130 C 9 XX -0.002710 0.003132 0.004906 -0.006747 0.000770 131 C 9 YY 0.002470 -0.001596 -0.003347 0.003427 -0.000391 132 C 9 ZZ 0.000240 -0.001536 -0.001559 0.003320 -0.000379 133 C 9 XY 0.001992 -0.001301 -0.003904 -0.002457 -0.000159 134 C 9 XZ 0.002570 -0.000364 -0.002289 -0.002318 -0.000403 135 C 9 YZ -0.002750 0.001633 0.003885 -0.005378 0.000470 136 C 10 S -0.001795 0.004361 -0.001500 -0.000962 -0.000179 137 C 10 S -0.005680 -0.044012 -0.045902 0.034287 0.016466 138 C 10 S 0.030751 -0.034843 0.010386 0.040057 0.015928 139 C 10 X -0.083614 0.002329 0.089010 0.030975 0.002392 140 C 10 Y 0.016682 -0.048124 0.027836 -0.122404 0.018859 141 C 10 Z -0.007472 0.020832 -0.046280 -0.000524 0.017281 142 C 10 X -0.071457 0.092402 0.012085 -0.003620 -0.006867 143 C 10 Y 0.016318 0.048876 0.036945 -0.039027 -0.020604 144 C 10 Z 0.001240 0.002631 -0.024422 0.005578 0.025240 145 C 10 XX 0.003650 -0.005784 0.000807 -0.005430 0.003579 146 C 10 YY -0.001899 0.004860 -0.001886 0.007231 -0.003964 147 C 10 ZZ -0.001752 0.000923 0.001079 -0.001801 0.000385 148 C 10 XY -0.005895 -0.006567 0.001931 -0.002960 0.006638 149 C 10 XZ 0.003678 -0.004497 0.003823 0.000479 -0.007565 150 C 10 YZ 0.001868 0.001809 0.000473 0.001602 0.000740 151 C 11 S -0.001840 -0.004583 -0.002136 -0.001343 0.001327 152 C 11 S 0.002356 0.075210 -0.023476 0.036899 -0.031844 153 C 11 S 0.024180 0.052570 0.017349 0.039630 -0.092919 154 C 11 X -0.056226 0.006227 0.053549 0.001673 -0.002273 155 C 11 Y -0.029530 -0.016353 -0.025700 0.125721 -0.005059 156 C 11 Z -0.022204 -0.001886 -0.034354 -0.004528 -0.018961 157 C 11 X -0.055999 -0.085932 -0.011056 -0.015197 -0.022799 158 C 11 Y -0.015847 0.053157 -0.018206 0.036173 0.006551 159 C 11 Z -0.015971 -0.000301 -0.022795 -0.007399 -0.023874 160 C 11 XX 0.002170 0.003743 0.003511 -0.004885 -0.005297 161 C 11 YY -0.001408 -0.002993 -0.004217 0.006260 0.003327 162 C 11 ZZ -0.000762 -0.000750 0.000706 -0.001375 0.001970 163 C 11 XY 0.002655 -0.005624 -0.000144 0.005801 0.003783 164 C 11 XZ 0.004353 0.001626 0.005723 0.000794 0.006085 165 C 11 YZ 0.000015 0.001976 -0.001261 0.000667 0.002425 166 C 12 S 0.005762 0.005024 0.004903 0.002693 0.003473 167 C 12 S 0.016059 0.035596 0.011649 0.000714 0.012786 168 C 12 S -0.062138 0.016925 -0.073885 -0.038408 -0.005991 169 C 12 X 0.107152 -0.026609 -0.123828 -0.056939 -0.003061 170 C 12 Y 0.074829 0.126546 0.037621 0.031244 -0.153282 171 C 12 Z -0.093439 0.152136 -0.093612 0.019579 0.184518 172 C 12 X 0.019796 0.013541 -0.056954 -0.024515 -0.013218 173 C 12 Y 0.040109 0.021713 0.014513 0.022534 -0.007394 174 C 12 Z -0.009289 0.031746 -0.005726 0.002065 0.007600 175 C 12 XX -0.001527 -0.012537 -0.007669 -0.000901 0.004725 176 C 12 YY 0.004400 0.004928 0.011955 0.000758 -0.025526 177 C 12 ZZ -0.002874 0.007610 -0.004286 0.000143 0.020800 178 C 12 XY -0.004868 -0.012271 -0.005809 -0.012272 0.010704 179 C 12 XZ 0.009255 -0.008770 -0.000121 -0.000243 -0.011127 180 C 12 YZ 0.000290 0.006649 -0.002858 0.003883 0.016067 181 C 13 S 0.001575 0.001773 -0.007658 -0.000571 0.000794 182 C 13 S 0.012458 0.007535 -0.019421 -0.018996 0.003646 183 C 13 S 0.013007 -0.013339 0.088481 0.002894 0.001890 184 C 13 X 0.023774 -0.043679 0.195150 -0.013830 0.010160 185 C 13 Y 0.009152 -0.143875 -0.006591 0.017246 0.049748 186 C 13 Z -0.233807 -0.006472 -0.013905 -0.050824 -0.009698 187 C 13 X 0.002167 -0.009488 0.063988 -0.007864 -0.002430 188 C 13 Y -0.003273 -0.050091 -0.004040 0.004407 0.012829 189 C 13 Z -0.032532 -0.006174 0.015037 -0.006930 0.003658 190 C 13 XX -0.007323 0.005749 -0.024230 -0.003818 -0.001698 191 C 13 YY -0.008991 -0.005993 0.018012 0.001923 -0.003144 192 C 13 ZZ 0.016314 0.000244 0.006218 0.001895 0.004842 193 C 13 XY -0.000339 -0.002732 -0.004312 -0.002274 -0.003889 194 C 13 XZ 0.008095 0.000577 -0.010428 0.004677 0.000182 195 C 13 YZ -0.001949 0.009547 0.003053 0.001875 0.013333 196 C 14 S 0.004579 -0.005249 0.002088 0.002093 -0.002746 197 C 14 S 0.006893 -0.043325 0.007702 0.006854 -0.010429 198 C 14 S -0.053930 -0.007154 -0.048221 -0.031249 0.002034 199 C 14 X 0.098015 0.023418 -0.061781 -0.023510 0.032019 200 C 14 Y -0.026333 0.135011 0.042584 -0.061317 -0.099400 201 C 14 Z -0.106391 -0.065448 -0.135249 -0.028797 -0.184947 202 C 14 X 0.021435 -0.006623 -0.033770 -0.007095 0.020622 203 C 14 Y -0.028902 0.021758 -0.001765 -0.025515 -0.010943 204 C 14 Z -0.011878 -0.019964 -0.021389 -0.002139 -0.011834 205 C 14 XX -0.001017 0.016922 -0.002272 -0.005788 -0.007483 206 C 14 YY 0.002653 -0.012619 0.003748 0.007590 0.017180 207 C 14 ZZ -0.001635 -0.004303 -0.001476 -0.001802 -0.009697 208 C 14 XY 0.000927 -0.008866 -0.002923 0.011055 0.000331 209 C 14 XZ 0.010018 0.006611 0.002969 0.002397 0.008936 210 C 14 YZ 0.002530 0.004148 0.009358 0.002404 0.022733 211 F 15 S 0.000696 -0.001285 -0.000046 -0.000202 -0.001988 212 F 15 S 0.037812 -0.057278 0.016442 -0.007546 -0.051161 213 F 15 S 0.064781 -0.089011 0.032937 -0.009441 -0.078095 214 F 15 X 0.064739 0.066522 -0.156080 -0.039782 0.080872 215 F 15 Y 0.106611 0.094170 0.039812 0.053325 -0.158218 216 F 15 Z 0.138808 -0.221244 0.026935 -0.056216 -0.210640 217 F 15 X 0.042773 0.042611 -0.099173 -0.024976 0.054116 218 F 15 Y 0.068610 0.059876 0.025183 0.034743 -0.108766 219 F 15 Z 0.088055 -0.142935 0.015803 -0.037564 -0.136861 220 F 15 XX 0.003393 -0.003583 -0.001033 -0.001354 -0.002993 221 F 15 YY 0.001570 -0.004719 0.000961 -0.001128 -0.003232 222 F 15 ZZ -0.004963 0.008301 0.000072 0.002482 0.006225 223 F 15 XY 0.000459 0.000379 0.000982 0.000271 -0.001803 224 F 15 XZ -0.001053 -0.004301 0.005317 0.000809 -0.004231 225 F 15 YZ -0.004020 -0.002370 -0.001399 -0.001253 0.006318 226 F 16 S -0.000545 -0.000576 -0.000932 0.000119 0.002203 227 F 16 S -0.028200 -0.015524 -0.031839 -0.005600 0.058833 228 F 16 S -0.047056 -0.018601 -0.048556 -0.012293 0.091029 229 F 16 X 0.129639 0.010082 -0.056145 -0.094863 -0.138490 230 F 16 Y -0.080926 0.032306 -0.163625 -0.035995 0.263204 231 F 16 Z 0.005973 0.225358 0.034716 0.069830 -0.074787 232 F 16 X 0.083689 0.005998 -0.033846 -0.061038 -0.090114 233 F 16 Y -0.054361 0.020976 -0.107734 -0.023301 0.170638 234 F 16 Z 0.003427 0.148553 0.020725 0.045353 -0.044669 235 F 16 XX -0.000003 -0.001464 -0.003764 -0.002098 0.003329 236 F 16 YY 0.002059 -0.003029 0.005734 0.001034 -0.007126 237 F 16 ZZ -0.002056 0.004493 -0.001969 0.001064 0.003798 238 F 16 XY -0.004928 -0.000288 0.000100 0.001834 0.006171 239 F 16 XZ 0.002292 0.002235 -0.000912 -0.000597 -0.002396 240 F 16 YZ -0.001065 -0.006567 -0.003170 -0.002321 0.005039 241 F 17 S -0.000564 0.000882 -0.000532 -0.000449 -0.001727 242 F 17 S -0.026655 0.023790 -0.020768 -0.017661 -0.053059 243 F 17 S -0.043364 0.030782 -0.033798 -0.028895 -0.084531 244 F 17 X 0.088980 -0.009813 -0.039984 -0.052056 0.093282 245 F 17 Y 0.098448 0.019577 0.157372 0.054675 0.220584 246 F 17 Z 0.017507 -0.189391 -0.046180 0.088595 0.129027 247 F 17 X 0.056881 -0.006495 -0.024663 -0.033872 0.060116 248 F 17 Y 0.066252 0.012676 0.104343 0.036355 0.144754 249 F 17 Z 0.011281 -0.124699 -0.032531 0.057368 0.081099 250 F 17 XX -0.001366 0.002268 -0.001966 -0.002213 -0.004207 251 F 17 YY 0.002807 0.002826 0.005532 0.000826 0.004899 252 F 17 ZZ -0.001441 -0.005094 -0.003567 0.001387 -0.000692 253 F 17 XY 0.002955 -0.000356 -0.000527 -0.000627 0.003110 254 F 17 XZ 0.002358 -0.000784 -0.001265 -0.000551 0.002265 255 F 17 YZ 0.002376 -0.004871 0.001844 0.003259 0.007070 256 F 18 S 0.001029 0.000941 0.000365 0.000185 0.001511 257 F 18 S 0.040896 0.042381 0.034794 0.002260 0.044371 258 F 18 S 0.065518 0.065565 0.060951 0.004486 0.070262 259 F 18 X 0.047874 -0.052569 -0.131120 -0.022916 -0.042801 260 F 18 Y -0.119487 0.039762 -0.028712 -0.075635 -0.197875 261 F 18 Z 0.121867 0.181491 0.109910 -0.036890 0.138939 262 F 18 X 0.032060 -0.033343 -0.084233 -0.013862 -0.027769 263 F 18 Y -0.077042 0.024953 -0.017787 -0.050058 -0.133940 264 F 18 Z 0.078129 0.116823 0.070255 -0.025124 0.089010 265 F 18 XX 0.003390 0.002644 0.000778 -0.000572 0.002877 266 F 18 YY 0.000055 0.003866 0.001938 -0.001529 -0.000458 267 F 18 ZZ -0.003446 -0.006511 -0.002716 0.002101 -0.002419 268 F 18 XY -0.000288 -0.000343 -0.001951 -0.000651 -0.002374 269 F 18 XZ -0.000342 0.003462 0.005033 0.000288 0.002302 270 F 18 YZ 0.004982 0.000831 0.002086 0.001676 0.007518 271 C 19 S -0.000830 -0.001243 0.000459 0.003406 -0.000237 272 C 19 S 0.016163 0.025408 -0.004057 -0.060310 0.000659 273 C 19 S 0.007111 0.009497 -0.011247 -0.036648 0.005995 274 C 19 X 0.002456 0.008615 0.007272 -0.061391 0.005501 275 C 19 Y 0.018607 0.026590 -0.012736 -0.063960 -0.001658 276 C 19 Z 0.002409 0.003469 -0.001599 -0.008990 0.000087 277 C 19 X 0.002100 0.006357 0.001274 -0.019004 0.001067 278 C 19 Y 0.008055 0.012448 0.000543 -0.027930 -0.003355 279 C 19 Z 0.001253 0.002686 0.000066 -0.003372 -0.001044 280 C 19 XX 0.000716 0.000474 -0.000362 -0.000713 -0.000323 281 C 19 YY -0.001862 -0.002202 0.001206 0.004419 0.000443 282 C 19 ZZ 0.001145 0.001727 -0.000845 -0.003706 -0.000120 283 C 19 XY -0.001117 -0.002217 0.000163 0.008022 -0.000357 284 C 19 XZ -0.000189 -0.000363 0.000058 0.000975 -0.000011 285 C 19 YZ -0.000479 -0.000613 0.000287 0.001390 0.000097 286 H 20 S 0.008080 0.016112 0.004459 -0.069631 0.004814 287 H 20 S 0.002006 0.003284 0.001450 -0.018052 0.001121 288 H 20 X -0.000899 -0.001775 -0.000167 0.006240 -0.000464 289 H 20 Y 0.000540 0.000963 0.000005 -0.003290 0.000079 290 H 20 Z 0.000013 -0.000023 -0.000027 -0.000069 0.000020 291 H 21 S 0.015651 0.023027 -0.008214 -0.050704 -0.001260 292 H 21 S 0.003343 0.005193 -0.002725 -0.012227 0.000123 293 H 21 X 0.000354 0.000677 0.000140 -0.002618 0.000125 294 H 21 Y -0.000744 -0.001101 0.000130 0.002687 0.000045 295 H 21 Z 0.001550 0.002239 -0.000848 -0.004890 -0.000064 296 C 22 S -0.000642 0.001614 -0.000243 0.003444 -0.001106 297 C 22 S 0.008424 -0.030825 0.000809 -0.060205 0.014956 298 C 22 S 0.009036 -0.013933 0.003224 -0.040270 0.016890 299 C 22 X -0.002007 -0.011204 0.012911 -0.057583 0.012003 300 C 22 Y -0.010354 0.028894 0.005294 0.066499 -0.020717 301 C 22 Z -0.000520 0.001987 -0.000649 0.006891 -0.001434 302 C 22 X -0.000680 -0.006638 0.000336 -0.019421 0.002697 303 C 22 Y -0.001360 0.012953 0.001805 0.026265 -0.005097 304 C 22 Z 0.000336 0.000410 0.000171 0.002154 0.000702 305 C 22 XX 0.000651 -0.001055 -0.000940 -0.000324 0.000427 306 C 22 YY -0.000749 0.002636 0.000335 0.005515 -0.001754 307 C 22 ZZ 0.000098 -0.001581 0.000606 -0.005191 0.001327 308 C 22 XY 0.000344 -0.002263 0.000217 -0.007483 0.001650 309 C 22 XZ -0.000031 -0.000178 0.000056 -0.000649 0.000126 310 C 22 YZ -0.000021 0.000350 -0.000043 0.001095 -0.000170 311 H 23 S 0.011165 -0.026662 -0.008990 -0.042187 0.014034 312 H 23 S 0.003288 -0.006257 -0.001500 -0.010754 0.004416 313 H 23 X 0.000878 -0.002505 -0.000326 -0.004506 0.001430 314 H 23 Y 0.000707 -0.001673 -0.000311 -0.002333 0.000830 315 H 23 Z -0.000007 0.000012 -0.000037 0.000065 -0.000050 316 H 24 S 0.004559 -0.023556 0.005191 -0.062392 0.015199 317 H 24 S 0.000880 -0.004644 0.001416 -0.015502 0.003784 318 H 24 X -0.000473 0.001547 0.000210 0.002977 -0.000761 319 H 24 Y -0.000134 0.000288 0.000107 0.000417 -0.000236 320 H 24 Z -0.000501 0.002320 -0.000583 0.006187 -0.001498 321 H 25 S 0.004689 -0.023414 0.005817 -0.063577 0.015167 322 H 25 S 0.001359 -0.005125 0.001731 -0.015570 0.004304 323 H 25 X -0.000442 0.001405 0.000214 0.002570 -0.000662 324 H 25 Y -0.000206 0.000542 0.000040 0.001134 -0.000440 325 H 25 Z 0.000500 -0.002383 0.000588 -0.006340 0.001470 326 C 26 S 0.001427 0.000974 0.000184 -0.000011 -0.000647 327 C 26 S -0.021611 -0.024471 0.010084 0.008243 0.004793 328 C 26 S -0.020481 -0.016393 -0.001986 0.005046 0.012596 329 C 26 X 0.012449 0.000553 -0.020902 -0.020711 0.000603 330 C 26 Y -0.001449 0.012106 0.007632 -0.022655 -0.001864 331 C 26 Z 0.019031 0.019978 -0.015248 0.001739 -0.008464 332 C 26 X -0.002163 0.002020 -0.000124 -0.001891 -0.000599 333 C 26 Y -0.001422 0.002127 0.000330 -0.002739 -0.000390 334 C 26 Z 0.002522 0.009597 -0.009768 -0.004711 0.000501 335 C 26 XX -0.000636 -0.001449 0.000432 0.000348 0.000453 336 C 26 YY -0.001406 -0.000958 0.001785 -0.000557 0.000333 337 C 26 ZZ 0.002042 0.002407 -0.002217 0.000209 -0.000786 338 C 26 XY 0.000520 -0.000096 -0.000136 0.000894 0.000061 339 C 26 XZ 0.001281 0.000102 -0.001258 -0.000937 -0.000090 340 C 26 YZ 0.000465 0.001721 0.000197 -0.001603 -0.000279 341 H 27 S -0.020895 -0.022612 0.016623 0.026042 0.004798 342 H 27 S -0.010195 -0.001950 0.006341 0.003649 0.000644 343 H 27 X -0.002062 -0.001961 0.000748 0.001589 0.000440 344 H 27 Y -0.002216 -0.001261 0.001691 0.001001 0.000328 345 H 27 Z -0.000025 -0.000239 -0.000047 0.000115 -0.000084 346 H 28 S -0.020409 -0.012734 0.017777 -0.007891 0.004548 347 H 28 S -0.003959 -0.002735 0.002305 -0.002389 0.001002 348 H 28 X 0.000131 -0.000195 -0.000422 -0.000870 0.000144 349 H 28 Y 0.002112 0.001400 -0.001564 0.000286 -0.000478 350 H 28 Z -0.000462 -0.000615 0.000264 0.000230 0.000004 351 H 29 S -0.007769 -0.020487 -0.006228 -0.005317 0.006155 352 H 29 S -0.000539 -0.004468 -0.003055 -0.004616 0.002837 353 H 29 X 0.001141 0.002228 0.000158 -0.000310 -0.000606 354 H 29 Y -0.000364 -0.000570 -0.000073 -0.000919 0.000249 355 H 29 Z -0.000157 -0.000375 -0.000107 0.000041 0.000130 356 C 30 S 0.000931 -0.001664 -0.001361 0.001486 -0.000105 357 C 30 S -0.013463 0.027382 0.023394 -0.020578 -0.003278 358 C 30 S -0.014235 0.023125 0.017746 -0.016960 0.006098 359 C 30 X 0.010431 0.003490 -0.007684 -0.024441 0.003101 360 C 30 Y 0.004893 0.015281 -0.007350 0.005658 -0.004200 361 C 30 Z -0.015772 0.024699 0.026064 -0.032772 -0.001873 362 C 30 X 0.002420 -0.003025 0.001372 -0.004801 -0.002571 363 C 30 Y -0.003317 0.002808 -0.002712 0.002673 0.001775 364 C 30 Z -0.006904 0.011326 0.008123 -0.007372 -0.003101 365 C 30 XX -0.001174 0.001979 0.000741 -0.001347 -0.000223 366 C 30 YY -0.001184 0.001065 0.002128 -0.002426 -0.000036 367 C 30 ZZ 0.002358 -0.003043 -0.002869 0.003772 0.000259 368 C 30 XY 0.000196 -0.000286 -0.000384 -0.000410 -0.000159 369 C 30 XZ -0.000572 -0.000680 0.000219 0.001624 -0.000036 370 C 30 YZ 0.000043 -0.001747 0.000297 0.000409 0.000349 371 H 31 S -0.015445 0.014410 0.026398 -0.028256 0.000485 372 H 31 S -0.003774 0.003682 0.004577 -0.006942 0.001604 373 H 31 X 0.000462 0.000039 -0.000416 -0.000615 0.000189 374 H 31 Y -0.001418 0.001737 0.002536 -0.002800 -0.000060 375 H 31 Z 0.000388 -0.000750 -0.000741 0.000563 -0.000046 376 H 32 S -0.016559 0.024144 0.020363 -0.001816 -0.005261 377 H 32 S 0.003266 -0.001958 0.007634 -0.004571 -0.005722 378 H 32 X -0.001094 0.002197 0.001743 -0.000908 -0.000643 379 H 32 Y 0.000901 -0.000567 -0.001609 0.000411 0.000211 380 H 32 Z -0.000266 -0.000095 -0.000252 0.000017 0.000178 381 H 33 S -0.001805 0.027208 0.010047 -0.031316 -0.001679 382 H 33 S -0.000446 0.007582 0.001176 -0.009802 0.000686 383 H 33 X 0.000363 -0.002591 -0.001306 0.002139 0.000354 384 H 33 Y 0.000354 -0.001443 -0.000939 0.002311 -0.000147 385 H 33 Z 0.000156 -0.000205 0.000069 -0.000005 -0.000070 386 H 34 S 0.015794 0.023119 -0.008788 -0.049875 -0.000987 387 H 34 S 0.002946 0.004151 -0.002673 -0.012580 0.000880 388 H 34 X 0.000509 0.000846 0.000023 -0.003043 0.000138 389 H 34 Y -0.000365 -0.000533 -0.000066 0.001586 0.000009 390 H 34 Z -0.001638 -0.002335 0.000880 0.005093 0.000085 391 F 35 S 0.001079 -0.000479 0.001440 0.000523 0.000275 392 F 35 S 0.034851 -0.017002 0.053781 0.005916 0.004709 393 F 35 S 0.056326 -0.026177 0.084410 0.005847 0.005975 394 F 35 X -0.177416 0.065548 -0.188313 -0.052212 -0.029680 395 F 35 Y -0.012978 -0.115486 -0.040497 0.026672 0.094111 396 F 35 Z -0.153901 -0.053427 0.194312 -0.054900 0.006956 397 F 35 X -0.114123 0.042392 -0.123778 -0.034410 -0.019166 398 F 35 Y -0.007807 -0.073090 -0.026243 0.017484 0.061465 399 F 35 Z -0.102642 -0.034041 0.125071 -0.036950 0.003977 400 F 35 XX -0.007612 0.002487 -0.006306 -0.002285 -0.001123 401 F 35 YY 0.002132 -0.002183 0.004962 0.000754 0.000787 402 F 35 ZZ 0.005480 -0.000304 0.001344 0.001530 0.000336 403 F 35 XY -0.000907 -0.004061 -0.002053 0.000641 0.002749 404 F 35 XZ -0.003936 -0.002454 0.007741 -0.001254 0.000423 405 F 35 YZ -0.000437 0.001449 0.001151 -0.000387 -0.000577 406 F 36 S -0.002262 0.000047 -0.000280 -0.000035 -0.000217 407 F 36 S -0.078507 0.002533 -0.008746 -0.010212 -0.004307 408 F 36 S -0.121519 0.005874 -0.020754 -0.018658 -0.005594 409 F 36 X 0.012422 -0.042235 0.231194 -0.035785 0.009674 410 F 36 Y -0.039058 -0.196100 -0.023880 0.001699 -0.013457 411 F 36 Z 0.293240 -0.021793 0.012906 0.050176 0.021177 412 F 36 X 0.010201 -0.027557 0.152416 -0.022968 0.006962 413 F 36 Y -0.025012 -0.128793 -0.015656 0.000785 -0.011629 414 F 36 Z 0.189768 -0.013726 0.005582 0.032108 0.013426 415 F 36 XX -0.005582 0.000043 0.000012 -0.000904 -0.000306 416 F 36 YY -0.005759 0.000916 0.000351 -0.000972 -0.000523 417 F 36 ZZ 0.011341 -0.000959 -0.000363 0.001875 0.000829 418 F 36 XY -0.000082 -0.000370 -0.000849 0.000014 -0.000440 419 F 36 XZ 0.001120 -0.001554 0.007716 -0.000915 0.000370 420 F 36 YZ -0.002193 -0.006516 -0.000600 0.000008 0.000056 421 C 37 S 0.000125 0.000919 -0.000535 0.003584 -0.000367 422 C 37 S -0.002636 -0.010924 0.002094 -0.070954 0.008364 423 C 37 S 0.016442 0.003459 0.009356 -0.063829 -0.001788 424 C 37 X -0.004016 -0.025398 -0.003033 -0.036954 0.011712 425 C 37 Y -0.055960 -0.050251 0.057662 0.085908 0.008463 426 C 37 Z -0.006178 -0.008863 0.005509 0.019794 0.000932 427 C 37 X -0.014850 -0.010940 -0.008014 0.001680 0.012037 428 C 37 Y -0.006775 -0.012630 -0.000706 0.026173 0.005575 429 C 37 Z -0.001432 -0.003577 0.000084 0.004861 -0.001117 430 C 37 XX 0.001379 0.002951 0.000065 -0.005266 -0.000588 431 C 37 YY -0.000427 -0.002279 -0.000177 0.003718 0.000270 432 C 37 ZZ -0.000952 -0.000672 0.000112 0.001548 0.000317 433 C 37 XY 0.004190 0.005014 -0.003153 -0.005927 -0.000930 434 C 37 XZ 0.000540 0.001598 -0.000227 -0.002310 -0.000101 435 C 37 YZ 0.000488 0.000609 -0.000489 -0.000949 -0.000016 436 S 38 S -0.000351 0.000078 -0.000046 -0.000081 0.000219 437 S 38 S -0.002269 0.000580 -0.000631 -0.000558 0.001460 438 S 38 S 0.039365 0.012204 -0.065230 0.000279 -0.006039 439 S 38 S 0.065397 0.005843 -0.064121 0.000965 -0.018254 440 S 38 X 0.000012 0.000001 -0.000224 -0.003546 0.000776 441 S 38 Y -0.000569 0.000315 0.000917 -0.002421 0.000293 442 S 38 Z -0.000044 -0.000100 0.000128 -0.000271 0.000098 443 S 38 X -0.008346 -0.002527 -0.002659 0.090426 -0.009271 444 S 38 Y 0.007168 -0.004896 -0.030604 0.072835 -0.010037 445 S 38 Z 0.000612 0.000916 -0.004857 0.006618 0.002882 446 S 38 X 0.000677 -0.004185 0.010557 0.034014 -0.013218 447 S 38 Y -0.002445 0.000496 -0.015338 0.023427 -0.002472 448 S 38 Z 0.000711 0.004315 -0.001306 0.003680 0.001689 449 S 38 XX 0.000453 -0.002751 -0.004475 0.029099 -0.004511 450 S 38 YY -0.000348 0.002907 0.006597 -0.028857 0.004019 451 S 38 ZZ -0.000106 -0.000156 -0.002123 -0.000242 0.000492 452 S 38 XY 0.001399 -0.001443 -0.000819 -0.006098 0.000861 453 S 38 XZ 0.000183 -0.000352 -0.000113 0.001094 -0.000161 454 S 38 YZ 0.000360 -0.000322 0.001468 -0.001434 -0.000504 455 S 38 XX -0.000081 -0.000570 -0.000966 0.005187 -0.000521 456 S 38 YY -0.000043 0.000588 0.001233 -0.005205 0.000568 457 S 38 ZZ 0.000124 -0.000018 -0.000267 0.000018 -0.000047 458 S 38 XY 0.000209 -0.000401 -0.000210 -0.001088 0.000185 459 S 38 XZ 0.000022 -0.000051 -0.000040 0.000230 -0.000018 460 S 38 YZ 0.000022 0.000078 0.000245 -0.000228 -0.000030 461 H 39 S 0.005267 -0.015927 -0.009604 -0.085486 0.011989 462 H 39 S 0.004937 -0.001976 -0.001050 -0.024218 0.000371 463 H 39 X -0.000225 0.001488 0.001138 0.008280 -0.001333 464 H 39 Y -0.001242 -0.001713 0.001251 0.000392 0.000325 465 H 39 Z 0.000034 -0.000303 -0.000044 0.000294 0.000079 61 62 63 64 65 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S 0.000225 0.002386 0.000474 0.002701 -0.001301 2 C 1 S 0.013455 -0.074253 -0.024052 -0.145706 0.037408 3 C 1 S 0.011015 -0.078645 -0.034105 -0.162034 0.047424 4 C 1 X -0.027062 -0.056828 -0.052552 0.013380 0.013064 5 C 1 Y -0.018924 -0.013814 -0.037515 -0.004083 -0.023728 6 C 1 Z 0.000437 0.004786 0.001093 -0.003393 -0.003278 7 C 1 X -0.012654 -0.024119 -0.032716 0.000339 -0.001096 8 C 1 Y -0.013939 -0.026600 -0.024244 -0.020429 -0.011492 9 C 1 Z 0.000762 0.001966 -0.000358 -0.002586 0.000868 10 C 1 XX 0.001197 -0.000330 0.002069 0.000090 0.001097 11 C 1 YY -0.001722 -0.001740 -0.003473 -0.003704 -0.000090 12 C 1 ZZ 0.000525 0.002071 0.001404 0.003613 -0.001006 13 C 1 XY 0.000511 -0.003978 0.000417 0.005749 0.002204 14 C 1 XZ 0.000085 0.000105 0.000230 0.001329 -0.000152 15 C 1 YZ -0.000175 0.000306 -0.000376 -0.000967 -0.000257 16 C 2 S -0.000703 -0.001479 -0.002887 -0.006462 -0.000401 17 C 2 S 0.014453 0.043701 0.046615 0.108409 -0.017657 18 C 2 S -0.003519 0.035024 0.050429 0.120018 0.000786 19 C 2 X 0.010535 -0.020077 -0.021134 -0.192519 0.005366 20 C 2 Y -0.047061 -0.006195 -0.086535 -0.053994 -0.048800 21 C 2 Z -0.006531 0.002075 -0.006025 0.001302 -0.004636 22 C 2 X -0.006807 -0.006175 -0.003479 -0.029529 -0.005184 23 C 2 Y -0.026453 0.007366 -0.016858 -0.008075 0.008595 24 C 2 Z -0.002803 -0.002692 0.000945 0.002061 -0.001411 25 C 2 XX 0.003835 -0.004091 0.003280 -0.006142 0.002480 26 C 2 YY -0.003771 0.005568 -0.003564 0.006591 -0.002754 27 C 2 ZZ -0.000063 -0.001476 0.000284 -0.000449 0.000274 28 C 2 XY -0.000704 0.005420 -0.000114 0.004515 -0.001150 29 C 2 XZ 0.000036 0.000632 -0.000133 0.000928 0.000056 30 C 2 YZ -0.001190 0.000552 -0.000499 -0.000514 -0.000700 31 C 3 S 0.003171 0.002979 0.000423 0.000627 0.000601 32 C 3 S -0.030083 -0.058651 -0.043030 -0.039267 -0.006325 33 C 3 S -0.097269 -0.092595 -0.017022 0.014290 -0.004914 34 C 3 X -0.024506 0.127727 -0.047707 -0.074715 -0.048927 35 C 3 Y 0.017036 -0.054642 0.020266 -0.106337 0.048081 36 C 3 Z -0.015425 0.007328 -0.009204 -0.026319 -0.006783 37 C 3 X 0.055294 0.036663 -0.029088 -0.096521 -0.027828 38 C 3 Y -0.034782 -0.036069 0.021864 -0.047169 0.048950 39 C 3 Z -0.000986 0.001677 -0.003318 -0.014028 0.001142 40 C 3 XX -0.001333 -0.000826 -0.001498 -0.010245 0.003527 41 C 3 YY -0.000288 -0.000920 0.002053 0.009843 -0.003773 42 C 3 ZZ 0.001621 0.001746 -0.000555 0.000402 0.000246 43 C 3 XY 0.000678 0.014763 -0.004617 -0.003693 0.000795 44 C 3 XZ 0.001234 0.001368 -0.000918 -0.001773 0.000514 45 C 3 YZ -0.001158 0.001101 -0.001090 -0.001919 -0.000541 46 C 4 S -0.000099 -0.004667 -0.000448 -0.000072 -0.000063 47 C 4 S 0.021895 0.104352 0.023280 -0.040850 0.010438 48 C 4 S 0.009203 0.140523 0.029122 -0.009663 -0.001287 49 C 4 X 0.028152 0.027299 0.068312 0.106508 -0.007249 50 C 4 Y 0.038664 -0.030479 0.038429 0.057456 0.039551 51 C 4 Z -0.013368 -0.002755 -0.011103 -0.020084 -0.010109 52 C 4 X 0.008442 0.022728 0.041493 0.053942 -0.004986 53 C 4 Y 0.037206 -0.030150 0.023194 0.012738 0.024986 54 C 4 Z -0.004069 -0.015068 -0.007593 -0.022275 -0.003291 55 C 4 XX -0.000591 0.000238 0.000710 -0.001507 -0.000521 56 C 4 YY -0.000843 0.000688 -0.002344 0.000373 -0.000909 57 C 4 ZZ 0.001434 -0.000926 0.001633 0.001134 0.001431 58 C 4 XY -0.001977 -0.003330 -0.002257 -0.010348 -0.001157 59 C 4 XZ -0.000430 -0.001178 -0.002783 -0.002798 0.000673 60 C 4 YZ -0.002306 0.001475 -0.001731 -0.002712 -0.002055 61 S 5 S 0.000045 0.000057 -0.000168 -0.000811 -0.000065 62 S 5 S 0.000341 0.000201 -0.000958 -0.004495 -0.000475 63 S 5 S -0.011091 -0.027121 0.010725 0.144660 -0.006450 64 S 5 S -0.004678 -0.035622 0.025146 0.195810 0.000048 65 S 5 X -0.000363 0.001256 -0.000498 -0.001644 -0.000414 66 S 5 Y -0.000686 -0.003599 -0.002524 -0.002772 0.000524 67 S 5 Z 0.000103 -0.000523 -0.000125 -0.000048 0.000253 68 S 5 X -0.001628 -0.027985 0.009548 0.055283 0.005300 69 S 5 Y 0.022188 0.083962 0.070338 0.075478 -0.014541 70 S 5 Z -0.000843 0.015244 0.000090 0.000176 -0.006432 71 S 5 X -0.003643 -0.011301 0.004202 0.031318 -0.000681 72 S 5 Y 0.006868 0.030451 0.022113 0.026790 -0.007753 73 S 5 Z 0.000263 0.004412 -0.000724 -0.001812 -0.003495 74 S 5 XX -0.000227 0.009766 0.000452 -0.003795 -0.003120 75 S 5 YY 0.000034 -0.010137 -0.003154 -0.003767 0.003787 76 S 5 ZZ 0.000193 0.000371 0.002702 0.007562 -0.000667 77 S 5 XY -0.005064 -0.022529 -0.015090 -0.018472 0.002969 78 S 5 XZ -0.000604 -0.005355 -0.001556 0.000216 0.001551 79 S 5 YZ 0.000973 0.003857 0.002195 0.002293 -0.000489 80 S 5 XX -0.000100 0.001771 -0.000012 -0.000492 -0.000643 81 S 5 YY 0.000069 -0.001863 -0.000450 -0.000835 0.000725 82 S 5 ZZ 0.000030 0.000092 0.000462 0.001327 -0.000081 83 S 5 XY -0.000921 -0.004157 -0.002852 -0.003301 0.000542 84 S 5 XZ 0.000020 -0.000951 -0.000192 -0.000011 0.000301 85 S 5 YZ 0.000095 0.000679 0.000343 0.000410 -0.000123 86 H 6 S 0.028231 0.042222 0.087640 0.199318 0.016319 87 H 6 S -0.005996 0.016868 0.021766 0.059481 0.020409 88 H 6 X 0.002516 0.001320 0.006899 0.010488 0.001155 89 H 6 Y 0.001186 0.003293 0.005162 0.014580 0.000680 90 H 6 Z -0.000036 0.000094 0.000159 0.000567 -0.000422 91 C 7 S 0.003461 -0.002596 0.000384 0.001330 0.000824 92 C 7 S -0.042530 0.058825 -0.042660 -0.015005 -0.002995 93 C 7 S -0.101993 0.078455 0.010751 -0.061159 -0.017939 94 C 7 X -0.029925 -0.108842 -0.126189 0.044901 -0.019068 95 C 7 Y 0.006301 -0.043624 0.036614 -0.087970 -0.014049 96 C 7 Z 0.001395 0.020406 0.035753 -0.014947 0.004708 97 C 7 X 0.029914 -0.052592 -0.069413 0.041682 0.006031 98 C 7 Y 0.024865 -0.031873 -0.004638 -0.036518 -0.003752 99 C 7 Z -0.008105 0.011333 0.021106 -0.008973 0.000719 100 C 7 XX -0.002008 -0.001766 -0.009848 0.005115 0.001049 101 C 7 YY 0.000383 0.002946 0.009186 -0.005681 -0.001427 102 C 7 ZZ 0.001625 -0.001180 0.000662 0.000566 0.000379 103 C 7 XY -0.001267 0.006298 0.007284 0.000628 -0.002173 104 C 7 XZ 0.002980 0.000830 0.003333 -0.000457 0.000228 105 C 7 YZ 0.000432 -0.001326 -0.002689 0.001104 0.000071 106 C 8 S 0.001065 -0.002159 0.002288 -0.001493 -0.000891 107 C 8 S -0.009762 0.079847 -0.101688 0.109170 0.024812 108 C 8 S -0.021286 0.079631 -0.111778 0.104095 0.027639 109 C 8 X -0.018402 0.049873 -0.002398 -0.050549 0.013767 110 C 8 Y 0.023273 -0.016958 0.030034 0.045725 0.009440 111 C 8 Z 0.003282 0.004034 0.006344 0.006099 0.005399 112 C 8 X 0.000387 0.015613 0.024767 -0.047243 -0.007018 113 C 8 Y 0.023864 -0.023912 0.015381 0.028588 0.008196 114 C 8 Z 0.003777 0.000075 0.004333 0.003420 0.001970 115 C 8 XX 0.001486 0.000119 0.002485 0.002805 0.000270 116 C 8 YY -0.002023 0.001438 -0.005547 0.001104 0.000277 117 C 8 ZZ 0.000537 -0.001557 0.003062 -0.003909 -0.000547 118 C 8 XY -0.001255 -0.003423 -0.005325 0.002560 -0.000548 119 C 8 XZ -0.000007 -0.000471 -0.001105 0.001144 -0.000023 120 C 8 YZ -0.000506 -0.000249 -0.001470 0.000272 -0.000237 121 C 9 S 0.000494 0.002550 0.002231 -0.000413 0.000130 122 C 9 S 0.011367 -0.076104 -0.040676 0.051797 0.002260 123 C 9 S -0.008067 -0.080703 -0.057943 0.039485 -0.006302 124 C 9 X 0.048874 -0.030792 0.136193 -0.044548 -0.007375 125 C 9 Y -0.038520 -0.082434 -0.061179 -0.008569 -0.040559 126 C 9 Z 0.009652 0.010916 0.012242 0.003978 0.012629 127 C 9 X 0.027321 -0.023164 0.083467 -0.031427 -0.000742 128 C 9 Y -0.031165 -0.032647 -0.025408 -0.006623 -0.024418 129 C 9 Z -0.002859 0.003961 -0.001813 0.004378 0.005251 130 C 9 XX -0.002063 -0.003254 -0.000032 -0.000285 -0.001739 131 C 9 YY 0.000890 0.001305 -0.001418 -0.000860 0.000465 132 C 9 ZZ 0.001172 0.001949 0.001450 0.001145 0.001274 133 C 9 XY 0.003227 -0.004152 0.008413 -0.007166 -0.000158 134 C 9 XZ 0.002671 -0.000965 0.005023 -0.000710 0.000347 135 C 9 YZ -0.002932 -0.004063 -0.003448 0.000123 -0.002356 136 C 10 S -0.000416 0.001071 -0.002247 -0.002249 -0.000688 137 C 10 S 0.027474 0.029848 0.057871 0.033861 -0.022444 138 C 10 S 0.085463 -0.016336 0.037808 0.037457 0.009025 139 C 10 X -0.023347 0.103076 0.069222 0.004849 0.013057 140 C 10 Y -0.014749 0.070884 -0.056105 -0.047529 0.042275 141 C 10 Z -0.022601 -0.019916 -0.007443 -0.010001 -0.005074 142 C 10 X 0.024898 0.001380 -0.004755 0.025424 0.003467 143 C 10 Y 0.042279 0.024496 -0.053883 0.008296 0.021437 144 C 10 Z -0.022766 -0.004335 -0.002748 -0.004474 -0.008523 145 C 10 XX -0.000688 -0.003757 -0.011587 0.002532 0.001840 146 C 10 YY 0.002551 0.003254 0.013508 -0.001289 -0.003096 147 C 10 ZZ -0.001864 0.000502 -0.001920 -0.001244 0.001256 148 C 10 XY -0.001343 0.013380 0.003072 -0.002057 -0.001241 149 C 10 XZ 0.003422 -0.000034 0.001712 -0.000280 -0.000687 150 C 10 YZ -0.000584 -0.000651 0.000986 0.001093 0.000843 151 C 11 S -0.001694 0.001512 -0.001513 0.001753 -0.000036 152 C 11 S 0.029216 -0.056188 0.050485 0.013814 -0.000027 153 C 11 S 0.117598 -0.035653 0.017019 -0.026923 -0.004275 154 C 11 X -0.005449 -0.160291 0.034375 0.003811 0.041363 155 C 11 Y 0.013088 -0.006461 0.077733 0.039602 -0.049703 156 C 11 Z -0.033441 -0.008364 -0.001829 -0.012961 -0.006275 157 C 11 X 0.065647 -0.015287 0.000925 -0.045479 -0.024903 158 C 11 Y -0.024394 0.007597 0.034917 0.061398 -0.021953 159 C 11 Z -0.019384 0.001401 -0.003174 -0.006120 -0.009308 160 C 11 XX -0.001264 0.005338 -0.006388 -0.009387 0.002391 161 C 11 YY 0.002192 -0.005743 0.007491 0.009407 -0.003235 162 C 11 ZZ -0.000928 0.000405 -0.001103 -0.000020 0.000844 163 C 11 XY -0.001281 0.015274 -0.000332 -0.004362 0.001508 164 C 11 XZ 0.005474 -0.000146 -0.000666 -0.001507 -0.000182 165 C 11 YZ 0.001931 -0.000426 -0.000844 -0.000138 -0.001061 166 C 12 S -0.000120 -0.000202 0.001051 0.000488 0.001782 167 C 12 S -0.001125 -0.035970 -0.030490 0.002597 -0.021960 168 C 12 S -0.004963 -0.050956 -0.052209 0.002406 -0.070611 169 C 12 X 0.023390 -0.069113 -0.082408 -0.001891 0.033944 170 C 12 Y 0.047268 0.051438 0.011280 0.002077 0.013855 171 C 12 Z -0.124193 0.011658 0.013221 -0.006264 0.029724 172 C 12 X -0.000974 -0.039695 -0.045911 0.001082 0.017133 173 C 12 Y -0.004003 0.016703 0.027843 0.004756 0.056107 174 C 12 Z -0.000831 0.014408 0.004933 -0.006419 0.017510 175 C 12 XX 0.005617 0.003278 0.006168 0.001425 -0.005974 176 C 12 YY 0.010789 0.004060 0.001365 0.000093 0.010794 177 C 12 ZZ -0.016406 -0.007337 -0.007534 -0.001518 -0.004821 178 C 12 XY 0.000037 -0.003244 -0.011489 -0.006932 0.012718 179 C 12 XZ 0.003554 -0.003949 -0.005218 0.000908 -0.005624 180 C 12 YZ -0.017803 0.005220 0.011288 0.000511 0.015808 181 C 13 S -0.004564 0.000561 -0.000559 -0.000664 0.001131 182 C 13 S -0.013248 0.003943 -0.002002 -0.002184 0.064102 183 C 13 S 0.016989 -0.008514 0.020097 0.012025 0.106226 184 C 13 X -0.125516 -0.016804 0.032678 0.002594 0.005002 185 C 13 Y -0.019457 -0.005220 0.008846 -0.019330 0.004872 186 C 13 Z 0.165004 0.010888 -0.034802 -0.004012 -0.000437 187 C 13 X 0.010183 -0.005013 0.008112 0.003908 0.079860 188 C 13 Y 0.001410 0.003111 0.001156 -0.011161 0.004439 189 C 13 Z 0.003841 0.000470 0.006822 0.005110 0.047316 190 C 13 XX 0.028426 0.005856 -0.010741 -0.001313 -0.007085 191 C 13 YY 0.002895 -0.004370 0.002871 0.001372 -0.008999 192 C 13 ZZ -0.031320 -0.001486 0.007871 -0.000059 0.016084 193 C 13 XY 0.003455 -0.009141 -0.003219 0.005716 0.003522 194 C 13 XZ -0.019690 -0.000591 -0.000532 -0.000317 -0.036146 195 C 13 YZ 0.003460 0.002354 -0.000472 -0.000439 -0.006308 196 C 14 S -0.001358 -0.001161 0.001080 0.000457 0.002037 197 C 14 S -0.007815 0.045685 -0.015098 -0.021624 -0.024104 198 C 14 S 0.008303 0.085528 -0.028557 -0.036659 -0.088788 199 C 14 X 0.031236 0.127122 -0.058029 -0.035591 0.027343 200 C 14 Y -0.039714 0.085923 -0.008959 -0.009051 -0.018775 201 C 14 Z -0.168171 0.017647 0.017454 0.001235 0.022709 202 C 14 X 0.004796 0.069197 -0.023462 -0.019596 0.011950 203 C 14 Y -0.000593 0.041544 -0.021708 -0.027100 -0.056792 204 C 14 Z -0.006485 -0.005188 -0.003059 -0.001106 0.006502 205 C 14 XX 0.004538 -0.000948 0.001043 0.003316 -0.000485 206 C 14 YY 0.006984 -0.010834 0.004574 0.006401 0.012282 207 C 14 ZZ -0.011522 0.011781 -0.005617 -0.009717 -0.011797 208 C 14 XY -0.000962 -0.011868 0.010963 0.004455 -0.011428 209 C 14 XZ 0.002282 -0.000216 -0.000877 -0.002287 -0.005103 210 C 14 YZ 0.027604 0.002449 -0.007522 -0.005221 -0.011039 211 F 15 S 0.000715 0.000373 0.000305 -0.000064 -0.000287 212 F 15 S 0.032642 -0.001645 -0.001782 0.002030 -0.003186 213 F 15 S 0.053770 -0.006219 -0.004826 0.005971 -0.002846 214 F 15 X -0.081543 -0.104785 -0.158863 -0.010053 0.043795 215 F 15 Y 0.020992 0.076099 0.085701 0.022102 0.130375 216 F 15 Z 0.155804 -0.037338 -0.058299 0.003665 -0.004160 217 F 15 X -0.054462 -0.068896 -0.104918 -0.006296 0.028249 218 F 15 Y 0.013070 0.049551 0.057212 0.015350 0.085025 219 F 15 Z 0.099040 -0.024093 -0.038285 0.001762 -0.003428 220 F 15 XX 0.002164 -0.001372 -0.001925 -0.000003 0.000673 221 F 15 YY 0.002669 -0.000298 -0.000483 -0.000032 -0.000353 222 F 15 ZZ -0.004833 0.001670 0.002408 0.000036 -0.000320 223 F 15 XY 0.000947 0.000880 0.000819 0.000009 0.001112 224 F 15 XZ 0.003480 0.002730 0.003901 0.000264 -0.001300 225 F 15 YZ -0.001644 -0.002088 -0.001760 -0.000535 -0.002762 226 F 16 S -0.001105 -0.000017 0.000761 0.000341 0.000841 227 F 16 S -0.025847 -0.006755 -0.000847 0.001614 0.006012 228 F 16 S -0.039174 -0.011375 -0.008881 -0.001998 0.002799 229 F 16 X 0.106013 -0.075344 -0.166764 -0.060293 0.191568 230 F 16 Y -0.144335 -0.004002 0.013637 -0.024143 0.190791 231 F 16 Z -0.032426 0.110698 0.105742 0.010997 0.126089 232 F 16 X 0.070756 -0.049176 -0.110411 -0.041105 0.130397 233 F 16 Y -0.094319 -0.003094 0.009078 -0.015081 0.126927 234 F 16 Z -0.025335 0.073283 0.069690 0.007195 0.083424 235 F 16 XX -0.000749 -0.001578 -0.001893 -0.000930 0.002875 236 F 16 YY 0.004136 -0.000217 -0.000252 0.000795 -0.006170 237 F 16 ZZ -0.003387 0.001795 0.002145 0.000134 0.003295 238 F 16 XY -0.003935 0.001805 0.004062 0.000807 -0.002484 239 F 16 XZ 0.000973 -0.000316 -0.001542 -0.000575 0.002806 240 F 16 YZ -0.000920 -0.002820 -0.001999 -0.000478 0.000018 241 F 17 S -0.001092 0.000038 0.000668 0.000575 0.000781 242 F 17 S -0.036074 0.012369 0.002831 -0.001503 0.005173 243 F 17 S -0.059672 0.021740 -0.001167 -0.008365 0.002127 244 F 17 X 0.085570 0.194441 -0.132122 -0.046614 0.174953 245 F 17 Y 0.203880 0.008945 -0.051350 -0.064612 -0.171953 246 F 17 Z 0.043591 -0.149945 0.050604 0.061978 0.100395 247 F 17 X 0.057090 0.126916 -0.088095 -0.030190 0.119121 248 F 17 Y 0.134213 0.004854 -0.034244 -0.043058 -0.113818 249 F 17 Z 0.023744 -0.098587 0.033565 0.041036 0.067094 250 F 17 XX -0.002720 0.002284 -0.000332 0.000193 0.001444 251 F 17 YY 0.005038 0.001137 -0.001355 -0.001832 -0.004692 252 F 17 ZZ -0.002318 -0.003421 0.001688 0.001639 0.003248 253 F 17 XY 0.002825 0.004118 -0.002868 -0.001375 0.002604 254 F 17 XZ 0.001621 0.003312 -0.002254 -0.000786 0.002876 255 F 17 YZ 0.004736 -0.003187 -0.000029 -0.000116 -0.001316 256 F 18 S 0.001052 -0.000464 0.000060 0.000188 -0.000288 257 F 18 S 0.041161 0.002609 -0.004824 -0.000242 -0.002781 258 F 18 S 0.067261 0.007872 -0.008842 -0.001632 -0.001557 259 F 18 X -0.109311 0.169156 -0.087377 -0.085183 0.036517 260 F 18 Y -0.114977 0.119774 -0.046636 -0.068167 -0.116836 261 F 18 Z 0.161417 0.104892 -0.076618 -0.043546 -0.028572 262 F 18 X -0.073578 0.110664 -0.057500 -0.056868 0.022754 263 F 18 Y -0.075103 0.078353 -0.031088 -0.044703 -0.076035 264 F 18 Z 0.103046 0.068752 -0.050289 -0.028593 -0.019953 265 F 18 XX 0.002521 0.002515 -0.001633 -0.000804 0.000817 266 F 18 YY 0.001098 0.002123 -0.001018 -0.000756 -0.001400 267 F 18 ZZ -0.003619 -0.004638 0.002651 0.001560 0.000583 268 F 18 XY -0.002546 0.002586 -0.000946 -0.001300 -0.000846 269 F 18 XZ 0.004049 -0.003874 0.001710 0.001840 -0.001181 270 F 18 YZ 0.005290 -0.002108 0.000162 0.001115 0.002219 271 C 19 S 0.000592 0.002222 -0.000536 0.002028 0.000652 272 C 19 S -0.000997 -0.033864 0.018349 -0.031673 -0.009501 273 C 19 S -0.011533 -0.022664 0.004485 -0.024311 -0.008786 274 C 19 X -0.008203 -0.018175 0.027293 -0.074175 -0.013411 275 C 19 Y 0.004097 -0.064897 0.042080 -0.052777 -0.026579 276 C 19 Z 0.000474 -0.006940 0.006789 -0.007943 -0.002019 277 C 19 X 0.000147 -0.010123 0.007237 -0.019029 -0.004186 278 C 19 Y 0.004874 -0.024015 0.018637 -0.021549 -0.011279 279 C 19 Z 0.000583 -0.002846 0.002351 -0.002653 -0.000559 280 C 19 XX 0.000444 -0.000736 0.001883 -0.001265 -0.000511 281 C 19 YY -0.000686 0.004775 -0.003817 0.003710 0.002030 282 C 19 ZZ 0.000242 -0.004039 0.001935 -0.002444 -0.001518 283 C 19 XY 0.000389 0.004851 -0.003604 0.007427 0.002074 284 C 19 XZ 0.000029 0.000611 -0.000500 0.000840 0.000153 285 C 19 YZ -0.000121 0.001304 -0.001007 0.001116 0.000499 286 H 20 S -0.006984 -0.023344 0.027160 -0.068562 -0.011913 287 H 20 S -0.001917 -0.005830 0.010433 -0.022484 -0.003896 288 H 20 X 0.000607 0.002392 -0.001925 0.005199 0.000851 289 H 20 Y -0.000218 -0.002003 0.001301 -0.002883 -0.000924 290 H 20 Z 0.000014 -0.000073 0.000089 -0.000049 -0.000033 291 H 21 S 0.002082 -0.044166 0.023646 -0.030036 -0.015957 292 H 21 S 0.000187 -0.011234 0.006983 -0.009409 -0.003763 293 H 21 X -0.000238 -0.001211 0.001042 -0.002580 -0.000577 294 H 21 Y 0.000005 0.001457 -0.000961 0.001454 0.000515 295 H 21 Z 0.000212 -0.004131 0.002392 -0.002914 -0.001381 296 C 22 S 0.000821 -0.002200 -0.000083 -0.001866 0.001129 297 C 22 S -0.006581 0.035880 0.003308 0.033954 -0.016389 298 C 22 S -0.011610 0.023007 0.001275 0.022753 -0.016590 299 C 22 X -0.016859 0.008866 -0.021692 0.035920 -0.023074 300 C 22 Y 0.005313 -0.066656 -0.021591 -0.084558 0.041368 301 C 22 Z 0.000942 -0.002849 -0.000209 -0.007807 0.002475 302 C 22 X -0.003102 0.007714 -0.004352 0.015376 -0.008227 303 C 22 Y 0.001804 -0.024227 -0.004352 -0.028137 0.014321 304 C 22 Z 0.000277 -0.001308 0.000464 -0.002516 0.000353 305 C 22 XX 0.000398 0.002750 0.001683 0.001616 -0.000943 306 C 22 YY 0.000776 -0.005108 -0.000771 -0.005413 0.003539 307 C 22 ZZ -0.001173 0.002359 -0.000912 0.003797 -0.002596 308 C 22 XY -0.001124 0.004229 0.000499 0.007361 -0.002938 309 C 22 XZ -0.000150 0.000316 -0.000084 0.000471 -0.000275 310 C 22 YZ 0.000177 -0.000599 0.000055 -0.000986 0.000413 311 H 23 S 0.001852 0.053633 0.026211 0.052492 -0.021383 312 H 23 S 0.001913 0.013688 0.008613 0.017702 -0.007342 313 H 23 X -0.000262 0.004349 0.001310 0.004278 -0.002329 314 H 23 Y 0.000181 0.002646 0.001316 0.002194 -0.000870 315 H 23 Z 0.000017 0.000057 0.000027 -0.000069 0.000028 316 H 24 S -0.011641 0.030347 -0.005764 0.041547 -0.024060 317 H 24 S -0.003388 0.007713 -0.001267 0.013082 -0.007203 318 H 24 X 0.000240 -0.002243 -0.000536 -0.002251 0.001031 319 H 24 Y -0.000065 -0.001072 -0.000520 -0.001156 0.000614 320 H 24 Z 0.001089 -0.002858 0.000442 -0.004204 0.002154 321 H 25 S -0.011507 0.028632 -0.005841 0.044010 -0.022996 322 H 25 S -0.002654 0.007598 -0.000653 0.013742 -0.006660 323 H 25 X 0.000129 -0.001989 -0.000570 -0.002031 0.000799 324 H 25 Y 0.000071 -0.001343 -0.000493 -0.001672 0.000878 325 H 25 Z -0.001083 0.002846 -0.000474 0.004269 -0.002065 326 C 26 S 0.000632 -0.001285 -0.000796 0.000733 0.000062 327 C 26 S -0.004124 0.030110 0.008897 -0.016412 0.001465 328 C 26 S -0.008864 0.025595 0.008579 -0.012758 -0.001864 329 C 26 X 0.013664 -0.007989 0.049785 -0.012544 -0.004922 330 C 26 Y -0.011650 -0.030245 -0.026884 -0.001990 -0.016305 331 C 26 Z 0.006416 -0.038852 -0.022081 0.030760 0.000155 332 C 26 X 0.003572 0.002393 0.005311 -0.001082 0.000158 333 C 26 Y -0.000042 -0.002394 -0.008000 -0.003910 -0.000897 334 C 26 Z -0.000563 -0.014012 -0.004609 0.012072 0.001870 335 C 26 XX 0.000677 0.002759 0.003122 -0.001443 0.000359 336 C 26 YY -0.001168 0.001209 -0.000690 -0.001596 -0.000639 337 C 26 ZZ 0.000491 -0.003968 -0.002432 0.003038 0.000280 338 C 26 XY 0.000071 0.000195 -0.000270 0.000549 0.000250 339 C 26 XZ 0.000851 -0.000650 0.002333 -0.000285 -0.000224 340 C 26 YZ -0.000253 -0.003142 -0.001843 0.001073 -0.000648 341 H 27 S -0.004355 0.041418 -0.003567 -0.008041 0.011770 342 H 27 S 0.000084 0.015193 -0.005843 -0.003581 0.009791 343 H 27 X 0.000183 0.003622 0.001140 -0.001339 0.001276 344 H 27 Y -0.000825 0.002237 -0.001373 -0.000945 0.000675 345 H 27 Z 0.000046 0.000273 -0.000421 0.000128 0.000203 346 H 28 S -0.014102 0.012778 -0.011258 -0.020030 -0.009675 347 H 28 S -0.003812 0.001493 0.002885 -0.005135 -0.002461 348 H 28 X 0.000071 -0.000277 0.001352 -0.000759 -0.000362 349 H 28 Y 0.000970 -0.001787 0.000335 0.001741 0.000357 350 H 28 Z -0.000302 0.000266 -0.000355 -0.000392 -0.000307 351 H 29 S 0.007798 0.029638 0.052508 -0.022979 0.001868 352 H 29 S 0.001305 0.005454 0.017744 -0.004074 0.000554 353 H 29 X -0.000366 -0.003328 -0.003756 0.002033 -0.000464 354 H 29 Y -0.000262 0.000212 0.001520 -0.001092 -0.000523 355 H 29 Z 0.000006 0.000373 0.000468 0.000378 -0.000101 356 C 30 S 0.000149 0.001742 0.000494 -0.002023 -0.000034 357 C 30 S -0.004019 -0.039056 -0.012587 0.011646 -0.000344 358 C 30 S -0.007597 -0.029177 -0.009325 0.025497 -0.001197 359 C 30 X 0.012273 0.009006 0.028580 0.037427 -0.003845 360 C 30 Y 0.010076 -0.021482 0.014348 0.021814 0.014981 361 C 30 Z -0.011295 -0.059099 -0.019980 0.022580 -0.006015 362 C 30 X 0.004597 -0.004685 0.003075 0.007095 0.000199 363 C 30 Y -0.002797 -0.001887 0.005785 0.003334 0.002592 364 C 30 Z -0.005874 -0.023087 -0.006419 0.002446 -0.002852 365 C 30 XX -0.000300 -0.003721 -0.000077 0.001674 0.000040 366 C 30 YY -0.001238 -0.002806 -0.001447 0.000437 -0.000887 367 C 30 ZZ 0.001538 0.006527 0.001523 -0.002112 0.000847 368 C 30 XY 0.000392 0.000395 0.000547 0.000599 -0.000157 369 C 30 XZ -0.000629 0.000273 -0.001543 -0.002626 -0.000106 370 C 30 YZ 0.000129 0.002451 -0.000055 -0.001928 -0.000374 371 H 31 S -0.012631 -0.029924 -0.023417 0.003183 -0.012953 372 H 31 S -0.004368 -0.005233 -0.003221 0.004103 -0.003283 373 H 31 X 0.000539 0.000848 0.001061 0.001208 -0.000084 374 H 31 Y -0.000682 -0.003252 -0.001852 0.000836 -0.000859 375 H 31 Z 0.000347 0.000705 0.000357 -0.000183 0.000279 376 H 32 S -0.010010 -0.048426 -0.023457 -0.001284 0.006243 377 H 32 S 0.005200 -0.015950 -0.013610 -0.002653 0.003294 378 H 32 X -0.000105 -0.004374 -0.001851 0.000805 0.000548 379 H 32 Y 0.000732 0.001999 0.002040 0.000772 0.000128 380 H 32 Z -0.000139 0.000243 0.000468 0.000343 -0.000225 381 H 33 S 0.007528 -0.036105 0.014817 0.041911 0.002602 382 H 33 S 0.002632 -0.006677 0.006696 0.012257 0.000771 383 H 33 X -0.000471 0.003809 -0.000306 -0.002753 -0.000529 384 H 33 Y -0.000054 0.001537 -0.000673 -0.002007 0.000276 385 H 33 Z -0.000041 -0.000310 -0.000388 -0.000123 -0.000097 386 H 34 S 0.002491 -0.042940 0.024767 -0.028736 -0.014150 387 H 34 S 0.000258 -0.011095 0.007586 -0.009628 -0.003615 388 H 34 X -0.000202 -0.001530 0.001322 -0.002783 -0.000656 389 H 34 Y 0.000042 0.000501 -0.000502 0.000806 0.000142 390 H 34 Z -0.000242 0.004173 -0.002528 0.002886 0.001314 391 F 35 S -0.002146 -0.000209 0.000321 0.000082 -0.001971 392 F 35 S -0.046898 -0.004894 0.007930 -0.000179 -0.007634 393 F 35 S -0.071575 -0.007479 0.012442 -0.001759 0.006584 394 F 35 X 0.276386 0.022246 -0.056838 0.004713 0.172735 395 F 35 Y 0.020705 0.079771 0.017914 -0.082917 -0.008048 396 F 35 Z 0.035250 -0.010433 0.039534 -0.000471 0.241857 397 F 35 X 0.178048 0.014690 -0.037680 0.002371 0.115622 398 F 35 Y 0.012186 0.053552 0.012514 -0.055800 -0.005334 399 F 35 Z 0.030261 -0.006435 0.024897 -0.000869 0.156402 400 F 35 XX 0.009480 0.000781 -0.002059 0.000113 0.006286 401 F 35 YY -0.004283 -0.000419 0.001443 -0.000175 -0.001620 402 F 35 ZZ -0.005197 -0.000362 0.000616 0.000063 -0.004666 403 F 35 XY 0.001325 0.001949 0.000232 -0.002072 0.000428 404 F 35 XZ -0.001105 -0.000512 0.001374 -0.000067 0.002860 405 F 35 YZ -0.000024 -0.000429 -0.000009 0.000652 0.000445 406 F 36 S 0.001533 -0.000001 -0.000158 0.000083 -0.001432 407 F 36 S 0.043386 0.002520 -0.007541 0.000323 -0.006706 408 F 36 S 0.068140 0.005832 -0.013648 0.000365 0.001300 409 F 36 X -0.057752 -0.015905 0.040623 0.006156 0.312347 410 F 36 Y 0.017484 -0.030977 -0.001121 -0.019192 0.037300 411 F 36 Z -0.247765 -0.016604 0.054436 -0.000219 0.091143 412 F 36 X -0.041938 -0.010800 0.027388 0.003214 0.207424 413 F 36 Y 0.010995 -0.022028 -0.000827 -0.011313 0.024991 414 F 36 Z -0.159217 -0.010535 0.034762 -0.000234 0.063322 415 F 36 XX 0.003983 0.000294 -0.000811 0.000013 -0.001155 416 F 36 YY 0.004685 0.000236 -0.001016 0.000011 -0.002684 417 F 36 ZZ -0.008667 -0.000530 0.001826 -0.000025 0.003839 418 F 36 XY 0.000201 -0.000293 -0.000159 0.000145 -0.000443 419 F 36 XZ -0.003313 -0.000606 0.001363 0.000159 0.006990 420 F 36 YZ 0.001170 -0.000764 -0.000140 -0.000623 0.000411 421 C 37 S -0.000020 0.000447 -0.004747 0.004609 0.000444 422 C 37 S 0.008546 -0.006732 0.085386 -0.090230 -0.008386 423 C 37 S 0.025482 -0.017058 0.090520 -0.069574 -0.000881 424 C 37 X 0.019425 0.048010 0.139156 -0.101344 0.010398 425 C 37 Y -0.037515 0.102291 -0.117070 0.040826 0.020106 426 C 37 Z -0.002338 0.025667 -0.009384 0.008448 0.009393 427 C 37 X -0.003904 0.019737 0.022674 -0.026750 0.004942 428 C 37 Y -0.001557 0.022358 -0.026681 0.022887 0.012745 429 C 37 Z -0.000556 0.005366 -0.000760 0.002733 0.004043 430 C 37 XX -0.000101 -0.006232 0.003500 -0.003828 -0.002053 431 C 37 YY 0.000075 0.004349 -0.002915 0.002904 0.001720 432 C 37 ZZ 0.000026 0.001883 -0.000585 0.000924 0.000334 433 C 37 XY 0.000908 -0.008291 0.001429 0.000030 -0.001068 434 C 37 XZ -0.000043 -0.003067 -0.000539 0.000357 -0.000897 435 C 37 YZ 0.000224 -0.001008 0.000100 0.000269 -0.000100 436 S 38 S -0.000203 0.000017 -0.000609 0.000335 -0.000148 437 S 38 S -0.001018 -0.000141 -0.003012 0.001840 -0.001064 438 S 38 S 0.045149 -0.042334 0.136900 -0.059191 -0.007585 439 S 38 S 0.057852 -0.043177 0.194819 -0.085322 -0.007332 440 S 38 X -0.000246 -0.000035 0.002018 -0.003354 0.000680 441 S 38 Y -0.000741 0.000012 -0.000790 -0.001719 -0.000297 442 S 38 Z 0.000022 -0.000188 -0.000310 -0.000105 -0.000101 443 S 38 X -0.001903 -0.001222 -0.072732 0.102792 -0.000870 444 S 38 Y 0.028319 -0.007330 0.030703 0.048174 0.012261 445 S 38 Z 0.002660 0.005346 0.008785 0.002883 0.004702 446 S 38 X 0.000867 0.006058 -0.019965 0.038985 -0.017759 447 S 38 Y 0.012827 -0.005626 0.017642 0.012882 0.002445 448 S 38 Z 0.001715 0.002211 0.005394 0.001133 0.002884 449 S 38 XX 0.005110 0.001925 -0.009881 0.026465 0.003101 450 S 38 YY -0.006508 -0.001035 0.003086 -0.023310 -0.003328 451 S 38 ZZ 0.001397 -0.000890 0.006795 -0.003155 0.000227 452 S 38 XY 0.003023 0.004446 0.010283 -0.006202 0.002656 453 S 38 XZ 0.000464 0.000521 -0.000347 0.001247 0.000633 454 S 38 YZ -0.000432 -0.001176 -0.001882 -0.000078 -0.000579 455 S 38 XX 0.000736 0.000363 -0.001853 0.004819 0.000602 456 S 38 YY -0.001085 -0.000196 0.000709 -0.004315 -0.000713 457 S 38 ZZ 0.000348 -0.000167 0.001144 -0.000503 0.000111 458 S 38 XY 0.000368 0.000857 0.001723 -0.001119 0.000299 459 S 38 XZ 0.000079 0.000103 -0.000000 0.000238 0.000085 460 S 38 YZ -0.000035 -0.000244 -0.000365 0.000002 -0.000109 461 H 39 S 0.025694 0.013188 0.178914 -0.138896 -0.002040 462 H 39 S 0.008755 -0.000623 0.053619 -0.036499 -0.001198 463 H 39 X -0.002131 -0.000837 -0.015515 0.012550 0.000176 464 H 39 Y -0.000366 0.002816 0.001388 -0.002817 0.000261 465 H 39 Z 0.000145 0.000788 0.000514 -0.000250 0.000213 66 67 68 69 70 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S 0.001331 0.000334 0.000062 -0.000174 -0.000660 2 C 1 S -0.045422 0.013091 0.002823 0.003938 0.012848 3 C 1 S -0.053113 -0.001421 0.006350 0.006934 0.035314 4 C 1 X -0.013097 0.020384 -0.005341 0.006929 0.038580 5 C 1 Y 0.061121 -0.039631 0.001315 -0.014940 0.029878 6 C 1 Z 0.006449 -0.006539 0.001215 -0.001693 -0.004450 7 C 1 X 0.002890 0.017610 -0.003100 -0.000737 0.016192 8 C 1 Y 0.024334 -0.013197 -0.004436 -0.003411 0.015814 9 C 1 Z 0.000450 -0.002441 0.003548 -0.003268 0.003645 10 C 1 XX -0.002178 0.000862 -0.000266 0.000660 -0.000325 11 C 1 YY 0.001442 -0.001565 0.000213 -0.000610 0.001254 12 C 1 ZZ 0.000736 0.000703 0.000053 -0.000050 -0.000929 13 C 1 XY -0.004648 0.004512 -0.000510 0.001153 -0.002546 14 C 1 XZ 0.000088 0.000114 -0.000188 0.000051 -0.000834 15 C 1 YZ 0.000704 -0.000845 0.000112 -0.000181 -0.000290 16 C 2 S 0.000825 -0.001068 -0.000162 0.000562 0.000439 17 C 2 S 0.007525 0.014988 -0.004848 0.005712 -0.014529 18 C 2 S 0.005554 0.005765 0.012620 -0.019088 -0.027577 19 C 2 X 0.019724 -0.049201 0.011039 -0.015620 0.005218 20 C 2 Y 0.119128 -0.078547 0.003760 -0.024230 0.084456 21 C 2 Z 0.007800 -0.005089 0.000304 0.000972 0.002760 22 C 2 X 0.005800 -0.000145 -0.008139 -0.002294 -0.014856 23 C 2 Y 0.031898 -0.057275 0.010752 -0.022016 0.033331 24 C 2 Z 0.001409 -0.001787 -0.003010 0.003851 -0.004395 25 C 2 XX -0.004297 0.002567 0.000292 0.000097 -0.003030 26 C 2 YY 0.005639 -0.003604 0.000082 -0.001063 0.003793 27 C 2 ZZ -0.001342 0.001038 -0.000374 0.000966 -0.000763 28 C 2 XY 0.000999 -0.001088 -0.000106 -0.000265 -0.001649 29 C 2 XZ 0.000108 -0.000331 0.000158 -0.000265 0.000368 30 C 2 YZ 0.000628 -0.000747 0.000024 0.000121 -0.000385 31 C 3 S -0.001123 0.001234 0.000715 0.000792 0.000242 32 C 3 S 0.014161 0.004513 -0.002391 0.004179 0.031838 33 C 3 S 0.004800 -0.040421 -0.032822 -0.007109 -0.031723 34 C 3 X 0.114567 -0.111363 0.013391 -0.032578 0.022312 35 C 3 Y -0.087310 0.038843 0.001567 0.012359 -0.045916 36 C 3 Z 0.008141 -0.014980 -0.000660 0.007750 -0.012664 37 C 3 X 0.070834 -0.013165 0.031468 -0.000732 0.042255 38 C 3 Y -0.027682 -0.047755 0.026576 -0.028665 -0.037641 39 C 3 Z 0.007687 -0.007853 0.001182 0.008812 -0.000739 40 C 3 XX -0.005237 -0.000504 0.000116 -0.000495 -0.003512 41 C 3 YY 0.005664 0.000016 -0.000519 0.000113 0.003905 42 C 3 ZZ -0.000428 0.000488 0.000403 0.000382 -0.000393 43 C 3 XY -0.000230 -0.002128 0.001177 -0.000545 -0.000790 44 C 3 XZ 0.000440 -0.001099 0.000784 -0.001663 -0.001197 45 C 3 YZ 0.000892 -0.001534 0.000449 -0.000106 0.000267 46 C 4 S 0.000229 0.000568 -0.000155 0.000020 0.000685 47 C 4 S -0.023353 -0.012106 0.008226 -0.000053 -0.039892 48 C 4 S -0.019054 -0.012231 -0.004619 0.004442 -0.048474 49 C 4 X -0.008777 0.018410 -0.002263 0.002369 -0.023363 50 C 4 Y -0.082687 0.078893 -0.007564 0.022638 0.013667 51 C 4 Z 0.017233 -0.028260 0.003094 -0.001658 -0.039286 52 C 4 X 0.007125 -0.007914 0.002564 -0.007215 -0.023166 53 C 4 Y -0.036578 0.051773 -0.000693 0.021956 0.015903 54 C 4 Z 0.008121 -0.016076 0.007785 -0.009574 -0.014505 55 C 4 XX -0.001622 0.001040 0.000280 0.001035 -0.003582 56 C 4 YY 0.003900 -0.002710 -0.000119 -0.000416 0.003668 57 C 4 ZZ -0.002278 0.001670 -0.000161 -0.000618 -0.000086 58 C 4 XY 0.003083 -0.002546 -0.000181 -0.000408 0.004676 59 C 4 XZ -0.000154 -0.000095 0.000063 -0.000915 0.000250 60 C 4 YZ 0.003285 -0.003789 0.000818 -0.001067 -0.001657 61 S 5 S 0.000170 -0.000165 0.000022 0.000024 0.000314 62 S 5 S 0.000948 -0.000618 0.000069 0.000363 0.001980 63 S 5 S -0.011699 0.039351 -0.008651 0.012130 -0.017849 64 S 5 S -0.028659 0.061317 -0.009122 0.018464 -0.030326 65 S 5 X 0.001062 -0.001486 0.000125 -0.000522 -0.000112 66 S 5 Y 0.000063 0.000026 -0.000065 0.000101 0.001611 67 S 5 Z -0.000463 0.000554 -0.000012 0.000250 0.000513 68 S 5 X -0.023470 0.035708 -0.006651 0.012293 -0.002446 69 S 5 Y -0.003521 0.003256 0.001924 0.002030 -0.045858 70 S 5 Z 0.012125 -0.015527 0.002409 -0.004604 -0.019107 71 S 5 X -0.009153 0.017386 -0.004866 0.007072 -0.001035 72 S 5 Y -0.002421 0.006350 0.000368 0.000774 -0.020775 73 S 5 Z 0.008111 -0.008016 -0.000036 -0.001922 -0.010675 74 S 5 XX 0.006744 -0.007374 0.001134 -0.002622 -0.002761 75 S 5 YY -0.005627 0.004607 -0.000448 0.001483 0.005158 76 S 5 ZZ -0.001117 0.002767 -0.000687 0.001139 -0.002397 77 S 5 XY 0.001550 -0.001009 -0.000544 -0.000295 0.011353 78 S 5 XZ -0.002708 0.003332 -0.000414 0.000662 0.003959 79 S 5 YZ 0.000037 -0.000501 0.000140 -0.000171 -0.002490 80 S 5 XX 0.001245 -0.001284 0.000185 -0.000409 -0.000447 81 S 5 YY -0.001016 0.000858 -0.000109 0.000258 0.000951 82 S 5 ZZ -0.000229 0.000426 -0.000075 0.000151 -0.000504 83 S 5 XY 0.000217 -0.000074 -0.000091 -0.000047 0.002026 84 S 5 XZ -0.000475 0.000656 -0.000115 0.000192 0.000690 85 S 5 YZ 0.000064 -0.000175 0.000032 -0.000043 -0.000569 86 H 6 S -0.074387 0.077423 -0.010384 0.023322 -0.060864 87 H 6 S -0.025514 -0.000586 -0.002712 -0.000297 -0.011646 88 H 6 X -0.005015 0.004851 -0.000990 0.002306 -0.004872 89 H 6 Y -0.003425 0.003934 -0.000690 0.001132 -0.002310 90 H 6 Z 0.000172 0.000421 -0.000155 0.000383 -0.000355 91 C 7 S -0.001171 0.000460 -0.000260 0.002255 0.000784 92 C 7 S -0.025081 -0.002677 0.010580 0.013739 -0.029968 93 C 7 S 0.031107 0.015855 0.029784 -0.033253 0.023692 94 C 7 X 0.068853 -0.039712 -0.001965 -0.016709 -0.045581 95 C 7 Y 0.016105 -0.034074 0.008455 -0.003027 -0.049375 96 C 7 Z -0.027000 0.017875 0.005647 0.023340 0.011099 97 C 7 X 0.014755 -0.034838 -0.019380 0.025415 -0.030333 98 C 7 Y -0.024851 -0.019971 0.014814 0.009771 -0.062823 99 C 7 Z -0.001170 0.010274 0.004993 0.006409 0.007488 100 C 7 XX 0.001821 0.001947 -0.001386 -0.001860 0.003267 101 C 7 YY -0.001398 -0.002420 0.001640 0.000776 -0.004409 102 C 7 ZZ -0.000423 0.000472 -0.000254 0.001084 0.001142 103 C 7 XY 0.000902 -0.000334 0.000886 0.000624 0.003873 104 C 7 XZ -0.001565 -0.000221 -0.000231 -0.000536 -0.000861 105 C 7 YZ 0.000293 -0.000547 0.000312 -0.000088 0.000223 106 C 8 S 0.000422 -0.001333 0.000294 0.000778 0.000260 107 C 8 S -0.024364 0.036565 -0.009091 0.002896 0.003049 108 C 8 S -0.026223 0.042173 -0.009468 -0.002091 0.004780 109 C 8 X -0.035022 0.010186 0.005935 -0.000481 -0.043579 110 C 8 Y -0.024824 0.038593 -0.008629 0.011269 0.070077 111 C 8 Z -0.015411 0.012960 0.000482 0.007255 0.003744 112 C 8 X -0.024318 -0.012944 0.010557 0.019600 -0.015526 113 C 8 Y -0.003720 0.013370 -0.010148 0.008235 0.029241 114 C 8 Z -0.008711 0.005726 -0.001142 0.003341 -0.000320 115 C 8 XX -0.001264 0.001372 -0.000046 0.000533 0.001764 116 C 8 YY 0.000914 -0.000043 -0.000215 -0.000610 -0.000860 117 C 8 ZZ 0.000350 -0.001329 0.000261 0.000078 -0.000904 118 C 8 XY 0.003196 -0.000984 -0.000497 -0.000818 -0.001936 119 C 8 XZ 0.000509 -0.000149 -0.000277 -0.000286 -0.000417 120 C 8 YZ 0.001263 -0.000574 -0.000087 -0.000433 0.000457 121 C 9 S -0.000451 -0.000660 0.000059 0.000977 -0.000127 122 C 9 S 0.025646 0.008636 -0.012290 -0.005620 0.036542 123 C 9 S 0.032755 0.005625 -0.000388 -0.039510 0.023062 124 C 9 X 0.004015 0.001523 -0.003212 0.005406 0.046761 125 C 9 Y 0.094506 -0.065293 -0.000437 -0.018035 -0.012514 126 C 9 Z -0.035339 0.020132 0.004873 0.015196 -0.019225 127 C 9 X 0.010054 -0.002716 -0.001656 -0.006845 0.038768 128 C 9 Y 0.062484 -0.035898 0.002085 -0.021091 -0.008783 129 C 9 Z -0.027608 0.008673 0.002469 0.001297 -0.017521 130 C 9 XX 0.001710 -0.001432 0.000107 0.000336 0.001428 131 C 9 YY 0.000571 -0.000346 0.000213 -0.000992 -0.001882 132 C 9 ZZ -0.002281 0.001778 -0.000320 0.000656 0.000454 133 C 9 XY 0.001976 -0.000797 -0.000604 -0.000613 0.006008 134 C 9 XZ 0.000047 0.000168 -0.000385 -0.001168 0.000329 135 C 9 YZ 0.005250 -0.002935 0.000167 -0.000505 0.000673 136 C 10 S -0.002157 0.000388 -0.001627 -0.001715 -0.001870 137 C 10 S 0.036457 -0.025133 -0.008692 -0.011785 0.042889 138 C 10 S 0.063187 -0.035051 0.031696 0.029996 0.048835 139 C 10 X -0.065920 0.041313 0.011650 0.019228 0.004284 140 C 10 Y -0.092134 0.065642 -0.001784 0.031239 0.025760 141 C 10 Z -0.001485 0.005775 0.007006 0.026294 0.002406 142 C 10 X -0.086072 -0.022749 0.019302 0.021830 -0.084411 143 C 10 Y -0.063844 0.008268 -0.077996 0.052201 -0.003458 144 C 10 Z 0.001247 0.003150 0.008914 0.015037 0.017773 145 C 10 XX -0.002879 0.002429 -0.003398 0.001272 0.003187 146 C 10 YY 0.004704 -0.003786 0.002442 -0.002818 -0.002548 147 C 10 ZZ -0.001824 0.001358 0.000956 0.001546 -0.000639 148 C 10 XY -0.001776 -0.003041 0.000767 -0.000430 -0.003807 149 C 10 XZ 0.000441 -0.001620 0.000699 0.002578 0.001843 150 C 10 YZ 0.000989 -0.000140 0.001228 -0.000058 0.000634 151 C 11 S 0.000297 -0.000009 0.000922 -0.001663 0.001046 152 C 11 S 0.000291 0.004755 0.002979 -0.011805 -0.037265 153 C 11 S 0.006030 0.009852 -0.020534 0.040584 -0.025648 154 C 11 X -0.091784 0.088164 -0.015353 0.029820 0.017675 155 C 11 Y 0.103024 -0.071661 -0.000038 -0.030517 0.013076 156 C 11 Z -0.005384 0.001567 -0.009706 0.024363 -0.009027 157 C 11 X 0.004277 0.109682 -0.013088 0.020961 0.083550 158 C 11 Y 0.015509 -0.037349 -0.087472 -0.004703 -0.010339 159 C 11 Z -0.003503 0.007552 -0.014224 0.018452 -0.013597 160 C 11 XX -0.005056 0.003746 0.003258 0.000565 -0.002804 161 C 11 YY 0.006585 -0.004621 -0.002598 -0.002246 0.002714 162 C 11 ZZ -0.001528 0.000876 -0.000660 0.001681 0.000091 163 C 11 XY -0.002911 -0.003120 0.001472 -0.000425 -0.003679 164 C 11 XZ 0.001177 0.000042 -0.000067 0.001357 -0.004058 165 C 11 YZ -0.000517 0.000180 0.001485 0.000048 0.000091 166 C 12 S 0.000297 -0.000960 0.000037 0.000381 0.003303 167 C 12 S -0.029043 -0.014643 -0.014472 -0.002667 0.009512 168 C 12 S -0.079821 -0.028599 -0.026973 -0.009871 -0.070635 169 C 12 X 0.052014 0.016371 -0.002232 0.002203 0.022835 170 C 12 Y 0.001111 0.021472 0.009531 0.010639 0.002193 171 C 12 Z -0.022901 0.031701 0.035730 0.002267 -0.028845 172 C 12 X -0.009788 0.012319 0.044639 -0.013116 -0.018042 173 C 12 Y 0.066371 0.016192 0.041918 -0.007179 0.010254 174 C 12 Z 0.024633 0.014891 0.006417 0.014558 0.015027 175 C 12 XX 0.006728 -0.009415 -0.001230 -0.001781 0.005064 176 C 12 YY 0.016050 0.001463 -0.005632 -0.008982 -0.002975 177 C 12 ZZ -0.022778 0.007952 0.006862 0.010763 -0.002088 178 C 12 XY -0.007734 0.014439 -0.008111 -0.008661 -0.010731 179 C 12 XZ 0.000870 -0.000746 0.011742 0.026306 0.014932 180 C 12 YZ 0.024007 0.002471 0.011131 0.003357 0.000490 181 C 13 S -0.001687 0.000737 -0.000084 0.001376 0.000235 182 C 13 S 0.004205 -0.007134 -0.000757 0.013507 -0.002710 183 C 13 S 0.040289 -0.030571 -0.001127 -0.002834 -0.007447 184 C 13 X -0.015102 0.004831 0.000189 -0.029230 -0.001930 185 C 13 Y 0.035344 0.051402 0.002445 -0.007005 -0.001808 186 C 13 Z 0.037683 -0.022583 0.001643 0.040507 -0.018887 187 C 13 X 0.019360 -0.021562 -0.003709 0.023626 -0.005752 188 C 13 Y 0.037233 0.046184 0.058792 0.009101 0.022163 189 C 13 Z 0.007871 -0.000549 0.004213 -0.032510 0.007981 190 C 13 XX 0.013479 -0.006552 -0.000766 0.007304 -0.003632 191 C 13 YY -0.002980 -0.000031 0.005433 -0.002030 -0.004681 192 C 13 ZZ -0.010499 0.006583 -0.004667 -0.005274 0.008313 193 C 13 XY -0.016782 -0.023208 0.009826 0.000258 -0.008547 194 C 13 XZ -0.004624 0.001973 0.003379 -0.016806 -0.002426 195 C 13 YZ -0.002646 -0.005798 -0.025766 0.003279 0.017863 196 C 14 S 0.001494 -0.000861 0.000378 -0.000894 -0.002354 197 C 14 S 0.015175 0.023207 0.017573 -0.007625 -0.011620 198 C 14 S 0.017321 0.082242 0.020358 0.002957 0.045441 199 C 14 X -0.007002 -0.064090 0.001769 -0.004385 -0.026197 200 C 14 Y 0.023657 -0.004334 0.019208 -0.012037 -0.025988 201 C 14 Z -0.020812 0.001761 -0.034772 0.010020 0.036903 202 C 14 X -0.005838 -0.011309 -0.055197 -0.010185 0.011215 203 C 14 Y 0.007922 0.065539 0.038452 -0.002039 0.015324 204 C 14 Z -0.006797 -0.015287 -0.003071 0.005475 -0.012676 205 C 14 XX 0.002164 0.000478 0.003813 -0.004204 -0.001688 206 C 14 YY 0.004489 -0.022848 -0.000906 -0.005720 -0.001640 207 C 14 ZZ -0.006653 0.022370 -0.002907 0.009925 0.003328 208 C 14 XY 0.013868 0.002807 -0.005531 0.000567 -0.010832 209 C 14 XZ 0.004139 -0.004319 -0.013654 0.019503 -0.025287 210 C 14 YZ 0.002382 0.013086 0.010878 -0.004588 -0.000196 211 F 15 S 0.001712 -0.000418 -0.000403 0.000436 0.000342 212 F 15 S 0.012056 -0.007405 -0.004542 0.000319 0.002990 213 F 15 S 0.007568 -0.012537 -0.003566 -0.005686 0.003883 214 F 15 X -0.010454 0.098977 0.209766 0.345693 0.133362 215 F 15 Y 0.278480 -0.006366 0.160357 0.115560 0.008075 216 F 15 Z 0.083425 -0.012645 -0.000293 0.078962 0.093467 217 F 15 X -0.008562 0.065416 0.143598 0.240312 0.090697 218 F 15 Y 0.188523 -0.009164 0.107834 0.080906 0.003875 219 F 15 Z 0.057305 -0.006929 0.000172 0.055191 0.063285 220 F 15 XX 0.002064 0.000582 0.001340 0.003465 0.002316 221 F 15 YY 0.000864 -0.000350 -0.001250 -0.000773 0.000824 222 F 15 ZZ -0.002928 -0.000233 -0.000090 -0.002692 -0.003140 223 F 15 XY 0.001624 0.000145 0.000097 -0.000211 -0.000283 224 F 15 XZ 0.000821 -0.002313 -0.004620 -0.006423 -0.001775 225 F 15 YZ -0.006232 0.000111 -0.003567 -0.002652 -0.000351 226 F 16 S 0.001557 -0.000447 -0.000034 -0.000084 0.000053 227 F 16 S 0.004220 -0.001180 -0.000138 0.000237 0.001333 228 F 16 S -0.010272 0.002980 -0.000695 0.002894 0.002886 229 F 16 X -0.020480 0.184466 -0.187499 -0.261747 -0.201468 230 F 16 Y 0.154775 0.080486 -0.013563 -0.133136 -0.082384 231 F 16 Z 0.202098 0.006156 0.003938 -0.083919 0.009261 232 F 16 X -0.013524 0.126521 -0.133848 -0.180996 -0.138224 233 F 16 Y 0.105761 0.052592 -0.014018 -0.092753 -0.057615 234 F 16 Z 0.133103 0.002887 -0.002134 -0.059483 0.008210 235 F 16 XX 0.000822 0.002186 -0.001765 -0.002774 -0.001952 236 F 16 YY -0.004878 -0.002746 0.000588 0.004064 0.002484 237 F 16 ZZ 0.004055 0.000560 0.001177 -0.001290 -0.000532 238 F 16 XY 0.001036 -0.002738 0.003792 0.003786 0.002586 239 F 16 XZ 0.001071 0.002209 -0.001537 -0.002633 -0.001674 240 F 16 YZ -0.001120 0.000758 0.000555 0.000354 -0.001254 241 F 17 S 0.000340 -0.000987 0.000047 0.000002 -0.000544 242 F 17 S 0.001774 -0.003663 0.000541 -0.000330 -0.001871 243 F 17 S -0.000814 0.004394 0.001636 -0.000208 0.001566 244 F 17 X -0.147127 -0.107001 0.178882 -0.204910 0.311203 245 F 17 Y 0.026343 0.201863 0.023427 0.081578 -0.056867 246 F 17 Z 0.011412 -0.144447 -0.000030 -0.068599 -0.006334 247 F 17 X -0.100764 -0.073457 0.129256 -0.141624 0.215241 248 F 17 Y 0.016020 0.136197 0.011057 0.058188 -0.039147 249 F 17 Z 0.007898 -0.095067 0.004700 -0.049706 -0.005178 250 F 17 XX -0.000894 -0.001316 0.000464 -0.000975 0.001252 251 F 17 YY 0.000930 0.005217 0.000335 0.002309 -0.001688 252 F 17 ZZ -0.000036 -0.003900 -0.000799 -0.001334 0.000436 253 F 17 XY -0.002092 -0.001608 0.003488 -0.003189 0.004263 254 F 17 XZ -0.002217 -0.002372 0.002194 -0.002667 0.003892 255 F 17 YZ 0.000608 0.001500 0.001316 -0.000279 -0.001116 256 F 18 S 0.000507 -0.001075 0.000336 0.000231 -0.001011 257 F 18 S 0.007329 -0.006470 0.004784 -0.000974 -0.006642 258 F 18 S 0.010759 -0.001723 0.005168 -0.005736 -0.003991 259 F 18 X -0.045961 -0.101163 -0.221001 0.277857 -0.201959 260 F 18 Y -0.052776 0.252926 0.125654 -0.073236 0.089048 261 F 18 Z 0.000678 -0.016792 0.024045 0.037494 -0.121657 262 F 18 X -0.028236 -0.067514 -0.151309 0.193618 -0.138648 263 F 18 Y -0.039984 0.171631 0.083989 -0.051614 0.062161 264 F 18 Z -0.001623 -0.012224 0.015194 0.026573 -0.083359 265 F 18 XX -0.000274 -0.002713 -0.001524 0.002658 -0.003461 266 F 18 YY -0.000275 0.002007 0.002225 -0.001484 -0.000103 267 F 18 ZZ 0.000549 0.000706 -0.000701 -0.001174 0.003563 268 F 18 XY -0.000300 0.000922 -0.001264 0.001695 -0.001022 269 F 18 XZ 0.000991 0.001990 0.004694 -0.005013 0.002471 270 F 18 YZ 0.000969 -0.005580 -0.002353 0.001619 -0.002827 271 C 19 S -0.001561 0.001051 -0.000061 0.000619 0.000787 272 C 19 S 0.013321 -0.014957 0.002493 -0.001517 -0.006867 273 C 19 S 0.018125 -0.010140 0.002957 -0.011262 -0.009522 274 C 19 X 0.013864 -0.035086 0.010985 -0.005997 -0.059557 275 C 19 Y 0.048809 -0.044808 0.004411 -0.007445 0.000699 276 C 19 Z 0.000860 -0.002423 0.001645 0.002341 -0.003543 277 C 19 X 0.006488 -0.012608 0.003089 -0.001822 -0.022294 278 C 19 Y 0.015983 -0.020361 0.002615 0.001714 0.001171 279 C 19 Z 0.000778 -0.001714 0.001091 0.002264 -0.001194 280 C 19 XX -0.000313 -0.000587 0.000391 0.000467 -0.000425 281 C 19 YY -0.002747 0.003072 -0.000533 0.000023 -0.000040 282 C 19 ZZ 0.003060 -0.002485 0.000143 -0.000490 0.000465 283 C 19 XY -0.003565 0.004363 -0.000775 0.000911 0.003464 284 C 19 XZ -0.000238 0.000332 -0.000158 -0.000110 0.000422 285 C 19 YZ -0.000778 0.000814 -0.000146 0.000028 0.000097 286 H 20 S 0.010660 -0.029463 0.009595 -0.004439 -0.051930 287 H 20 S 0.002327 -0.009055 0.002997 -0.000500 -0.014946 288 H 20 X -0.001046 0.002098 -0.000571 0.000450 0.003715 289 H 20 Y 0.001540 -0.001830 0.000315 -0.000333 -0.001224 290 H 20 Z -0.000069 0.000040 0.000005 0.000048 -0.000021 291 H 21 S 0.030493 -0.025602 0.001230 -0.005455 0.006504 292 H 21 S 0.009395 -0.007334 0.000167 -0.002221 0.000506 293 H 21 X 0.000888 -0.001373 0.000291 -0.000259 -0.001608 294 H 21 Y -0.000682 0.000799 -0.000108 0.000075 -0.000110 295 H 21 Z 0.002557 -0.002160 0.000123 -0.000390 0.000413 296 C 22 S -0.002225 0.001780 -0.000093 0.000580 -0.000246 297 C 22 S 0.023540 -0.012514 0.000471 -0.003615 -0.000066 298 C 22 S 0.026769 -0.018515 -0.001825 -0.004583 0.001435 299 C 22 X 0.050037 -0.025456 -0.001008 -0.009553 0.035029 300 C 22 Y -0.063177 0.036113 -0.001782 0.013024 0.021354 301 C 22 Z -0.003864 0.000541 0.000596 0.000549 -0.003781 302 C 22 X 0.016552 -0.009206 0.000012 -0.002389 0.012406 303 C 22 Y -0.024278 0.013931 -0.001220 0.005887 0.005950 304 C 22 Z -0.000780 -0.000143 -0.000883 0.001122 -0.003130 305 C 22 XX 0.001142 -0.000865 0.000151 -0.000357 -0.001426 306 C 22 YY -0.005811 0.003275 -0.000092 0.001192 -0.000147 307 C 22 ZZ 0.004669 -0.002410 -0.000059 -0.000835 0.001573 308 C 22 XY 0.004862 -0.002822 0.000048 -0.000890 -0.000480 309 C 22 XZ 0.000505 -0.000360 0.000026 -0.000109 -0.000029 310 C 22 YZ -0.000733 0.000357 -0.000061 0.000226 -0.000416 311 H 23 S 0.023695 -0.014463 0.001703 -0.004550 -0.033191 312 H 23 S 0.006432 -0.001800 0.000828 -0.000319 -0.011830 313 H 23 X 0.003275 -0.001822 0.000120 -0.000613 -0.001266 314 H 23 Y 0.000541 -0.000122 0.000104 -0.000054 -0.001916 315 H 23 Z -0.000066 0.000006 0.000075 -0.000042 -0.000114 316 H 24 S 0.043808 -0.024456 0.000507 -0.008412 0.012350 317 H 24 S 0.013090 -0.007081 0.000219 -0.002756 0.002975 318 H 24 X -0.001444 0.000910 -0.000060 0.000223 0.000415 319 H 24 Y -0.000845 0.000485 -0.000092 0.000231 0.000747 320 H 24 Z -0.003854 0.002052 -0.000018 0.000709 -0.001036 321 H 25 S 0.041451 -0.020910 -0.000455 -0.007538 0.017430 322 H 25 S 0.012195 -0.005705 -0.000329 -0.002383 0.004849 323 H 25 X -0.001044 0.000607 -0.000013 0.000134 0.000189 324 H 25 Y -0.001281 0.000712 -0.000040 0.000271 0.000744 325 H 25 Z 0.003707 -0.001890 0.000021 -0.000714 0.001409 326 C 26 S 0.000926 -0.000255 -0.000342 0.000034 0.000918 327 C 26 S -0.010091 -0.000620 0.003117 0.005852 -0.010385 328 C 26 S -0.015494 -0.001272 0.003725 -0.002035 -0.017017 329 C 26 X -0.000970 0.002916 -0.000795 0.008391 0.024011 330 C 26 Y 0.044817 -0.031281 -0.002936 -0.012287 -0.005388 331 C 26 Z 0.021288 0.004959 -0.010600 -0.012069 0.038339 332 C 26 X -0.003792 0.001607 -0.002651 0.005406 0.005443 333 C 26 Y 0.008928 -0.008314 -0.001365 0.001810 0.000845 334 C 26 Z 0.003273 0.004519 -0.004621 -0.001215 0.013288 335 C 26 XX -0.002682 0.000868 0.000605 0.000808 -0.001470 336 C 26 YY 0.000769 -0.001516 0.000552 -0.000150 -0.002219 337 C 26 ZZ 0.001913 0.000647 -0.001157 -0.000658 0.003689 338 C 26 XY -0.000442 0.000510 0.000020 -0.000228 -0.000151 339 C 26 XZ 0.000346 0.000036 -0.000282 0.000131 0.000835 340 C 26 YZ 0.001835 -0.000653 -0.000404 -0.000268 0.001135 341 H 27 S -0.031796 0.013042 0.006010 0.005592 -0.023459 342 H 27 S -0.014156 0.005802 -0.000938 0.013820 -0.006145 343 H 27 X -0.003026 0.001412 0.000395 0.001466 -0.000924 344 H 27 Y -0.001226 0.000102 0.000257 0.000527 -0.001879 345 H 27 Z 0.000108 0.000108 -0.000184 0.000010 0.000368 346 H 28 S 0.016063 -0.023936 0.003854 -0.002143 -0.030005 347 H 28 S 0.003686 -0.004845 0.001788 -0.001582 -0.008972 348 H 28 X 0.000362 -0.000394 0.000146 0.000279 0.000178 349 H 28 Y -0.000178 0.001220 -0.000444 -0.000443 0.002525 350 H 28 Z 0.000687 -0.000676 -0.000019 -0.000488 -0.000525 351 H 29 S -0.025482 0.010393 0.005161 0.016539 0.002471 352 H 29 S -0.007500 0.004824 0.002484 0.006010 0.001064 353 H 29 X 0.002417 -0.000992 -0.000469 -0.001526 0.000293 354 H 29 Y 0.000419 -0.000544 0.000168 0.000201 -0.000229 355 H 29 Z -0.000193 0.000366 -0.000003 0.000232 0.000589 356 C 30 S 0.000058 -0.000838 0.000556 0.000729 -0.000712 357 C 30 S 0.006631 0.003854 -0.002191 -0.003083 0.013913 358 C 30 S 0.006236 0.005836 -0.009343 -0.008114 0.010726 359 C 30 X -0.000719 0.006150 -0.001368 -0.006502 -0.009665 360 C 30 Y -0.036677 0.040800 -0.002364 0.014561 0.021230 361 C 30 Z 0.020397 0.009798 -0.005839 -0.005654 0.051421 362 C 30 X -0.001106 0.005761 0.001012 0.005993 0.001524 363 C 30 Y -0.007326 0.006557 -0.001890 -0.002642 0.006269 364 C 30 Z 0.012032 -0.000423 -0.000863 -0.006313 0.020345 365 C 30 XX -0.000354 0.002066 -0.000521 0.000067 0.003070 366 C 30 YY 0.002582 -0.001116 -0.000077 -0.000785 0.001901 367 C 30 ZZ -0.002228 -0.000950 0.000599 0.000719 -0.004972 368 C 30 XY -0.000134 0.000355 -0.000023 0.000253 -0.000098 369 C 30 XZ 0.000483 -0.000906 0.000145 0.000026 -0.000051 370 C 30 YZ 0.000563 -0.001127 0.000152 0.000162 -0.001799 371 H 31 S 0.037467 -0.021553 -0.002575 -0.015081 0.014564 372 H 31 S 0.008484 -0.005227 -0.002087 -0.006470 0.002918 373 H 31 X -0.000175 0.000176 -0.000034 -0.000414 -0.000579 374 H 31 Y 0.002368 -0.000721 -0.000325 -0.000886 0.001801 375 H 31 Z -0.001105 0.000873 0.000202 0.000677 0.000435 376 H 32 S -0.005707 0.017353 -0.002780 0.008288 0.034959 377 H 32 S -0.005415 0.011260 0.003796 0.018608 0.016355 378 H 32 X -0.001064 0.002100 0.000087 0.001414 0.003071 379 H 32 Y -0.000869 0.000320 -0.000084 -0.000428 -0.001480 380 H 32 Z 0.000278 -0.000108 -0.000118 -0.000643 0.000141 381 H 33 S -0.009443 0.026141 -0.004216 -0.000724 0.021522 382 H 33 S -0.005645 0.008717 -0.001421 -0.001951 0.005952 383 H 33 X 0.001104 -0.002334 0.000237 -0.000293 -0.002242 384 H 33 Y -0.000497 -0.000171 0.000246 0.000905 -0.000609 385 H 33 Z 0.000476 -0.000147 0.000026 0.000140 0.000648 386 H 34 S 0.024028 -0.020398 0.002145 -0.001108 0.005476 387 H 34 S 0.007403 -0.005562 0.000114 -0.002025 0.000845 388 H 34 X 0.000869 -0.001376 0.000301 -0.000192 -0.001613 389 H 34 Y 0.000155 0.000081 -0.000113 -0.000182 -0.000018 390 H 34 Z -0.002238 0.001886 -0.000159 0.000174 -0.000556 391 F 35 S -0.000249 0.000230 -0.000033 -0.000600 -0.000109 392 F 35 S -0.005106 0.003522 -0.000215 -0.002258 -0.000248 393 F 35 S -0.008508 0.005362 0.000044 0.003556 0.000858 394 F 35 X 0.032052 -0.063831 0.014202 0.102659 -0.014535 395 F 35 Y 0.276790 0.323494 -0.246169 0.049453 0.195939 396 F 35 Z 0.002771 0.043101 -0.025808 0.012660 0.055867 397 F 35 X 0.018028 -0.040411 0.010198 0.070061 -0.008789 398 F 35 Y 0.186639 0.217323 -0.176620 0.033417 0.130501 399 F 35 Z 0.000223 0.030799 -0.018401 0.006032 0.038175 400 F 35 XX 0.000833 -0.002141 0.000565 0.003720 -0.000506 401 F 35 YY 0.000336 0.001914 -0.000737 -0.001350 0.000833 402 F 35 ZZ -0.001169 0.000227 0.000172 -0.002370 -0.000327 403 F 35 XY 0.006204 0.006837 -0.005622 0.001346 0.003453 404 F 35 XZ -0.000201 0.001548 -0.000606 -0.001390 0.001190 405 F 35 YZ -0.002431 -0.002936 0.000821 -0.000321 -0.001476 406 F 36 S 0.001133 -0.000852 0.000060 0.000537 -0.000437 407 F 36 S 0.008888 -0.007018 0.000294 0.001766 -0.002142 408 F 36 S 0.007549 -0.006578 -0.000118 -0.005634 0.000198 409 F 36 X 0.003267 -0.031272 -0.032244 0.215533 -0.000699 410 F 36 Y 0.109777 0.151706 0.413379 -0.039145 -0.291468 411 F 36 Z -0.047458 0.056004 0.033580 -0.060114 0.007912 412 F 36 X -0.001835 -0.017533 -0.022168 0.149805 -0.000162 413 F 36 Y 0.070930 0.099817 0.284474 -0.026942 -0.201685 414 F 36 Z -0.032368 0.037277 0.023028 -0.041643 0.005620 415 F 36 XX 0.001122 -0.000812 -0.000022 0.000872 -0.000520 416 F 36 YY 0.000111 -0.000919 -0.001261 0.001553 0.000251 417 F 36 ZZ -0.001233 0.001731 0.001283 -0.002425 0.000269 418 F 36 XY -0.000243 -0.000335 0.000643 -0.000536 -0.000362 419 F 36 XZ -0.000271 -0.000527 -0.000650 0.004454 -0.000079 420 F 36 YZ 0.002878 0.003724 0.009092 -0.000529 -0.005984 421 C 37 S 0.000514 0.000100 -0.000210 -0.000094 -0.000743 422 C 37 S -0.001646 -0.016709 0.007278 0.000856 0.004640 423 C 37 S -0.009325 -0.002888 -0.002844 0.013973 0.014093 424 C 37 X -0.078325 0.024320 0.014033 0.019753 0.016494 425 C 37 Y -0.022592 0.007606 0.002979 -0.005907 -0.073310 426 C 37 Z -0.023430 0.013517 0.001965 0.006135 -0.018060 427 C 37 X -0.019631 0.007156 0.004859 -0.003948 -0.001939 428 C 37 Y 0.000194 0.007793 -0.002811 -0.013325 -0.022414 429 C 37 Z -0.003569 0.005301 0.000213 0.000882 -0.002663 430 C 37 XX 0.002135 -0.002189 0.000603 0.000403 0.001995 431 C 37 YY -0.001197 0.001860 -0.000686 -0.000307 -0.002059 432 C 37 ZZ -0.000938 0.000329 0.000083 -0.000096 0.000064 433 C 37 XY 0.003188 -0.000535 -0.000734 -0.000229 0.003374 434 C 37 XZ 0.002298 -0.001318 -0.000453 -0.000669 0.000982 435 C 37 YZ 0.000429 -0.000010 -0.000163 0.000123 0.000065 436 S 38 S 0.000065 -0.000077 0.000126 0.000032 -0.000127 437 S 38 S 0.000203 -0.000488 0.000917 0.000351 -0.000381 438 S 38 S -0.014667 -0.002450 0.005954 0.005777 0.025097 439 S 38 S -0.018375 -0.003078 0.000976 0.012654 0.050720 440 S 38 X -0.000296 0.000383 -0.000134 -0.000786 -0.001459 441 S 38 Y 0.000092 -0.000747 0.000424 -0.000211 -0.002221 442 S 38 Z -0.000004 -0.000170 -0.000236 -0.000376 -0.000347 443 S 38 X 0.020552 0.007711 -0.008970 0.001095 0.031517 444 S 38 Y -0.009333 0.029417 -0.010482 -0.000365 0.063947 445 S 38 Z -0.012722 0.011934 0.003702 0.010476 0.010613 446 S 38 X -0.000273 -0.009630 0.007406 0.018588 0.026381 447 S 38 Y -0.008853 0.011220 0.000433 0.000769 0.027186 448 S 38 Z -0.006249 0.005950 0.005838 0.009667 0.008885 449 S 38 XX 0.001387 0.006634 -0.003692 -0.000562 0.013236 450 S 38 YY -0.000015 -0.007632 0.003315 0.000553 -0.015713 451 S 38 ZZ -0.001372 0.000999 0.000377 0.000010 0.002477 452 S 38 XY -0.005664 0.003585 -0.000609 0.000786 0.002549 453 S 38 XZ -0.001456 0.001359 -0.000323 0.000348 0.000389 454 S 38 YZ 0.002425 -0.001645 -0.000515 -0.002255 -0.001239 455 S 38 XX 0.000271 0.001315 -0.000682 -0.000098 0.002467 456 S 38 YY -0.000008 -0.001509 0.000709 0.000101 -0.002926 457 S 38 ZZ -0.000263 0.000193 -0.000027 -0.000003 0.000459 458 S 38 XY -0.001117 0.000647 0.000046 0.000221 0.000473 459 S 38 XZ -0.000223 0.000206 -0.000030 0.000051 0.000079 460 S 38 YZ 0.000344 -0.000305 -0.000061 -0.000313 -0.000235 461 H 39 S -0.056917 0.006080 0.015237 0.017385 0.028991 462 H 39 S -0.017406 0.002164 0.004576 0.007387 0.011323 463 H 39 X 0.004205 -0.000214 -0.001185 -0.000983 -0.002353 464 H 39 Y -0.001868 0.000054 0.000468 0.000542 -0.000802 465 H 39 Z -0.001024 0.000407 0.000103 0.000277 -0.000577 71 72 73 74 75 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S -0.000560 0.000184 -0.000335 0.001182 -0.000076 2 C 1 S 0.007209 -0.003903 0.003829 -0.022335 -0.007895 3 C 1 S 0.020518 -0.006537 0.012138 -0.031647 -0.007428 4 C 1 X 0.040431 -0.007783 0.039018 -0.084987 -0.033279 5 C 1 Y 0.059753 0.001644 -0.002105 0.002107 0.018656 6 C 1 Z -0.006482 0.002709 -0.007150 0.016686 0.003943 7 C 1 X 0.023003 -0.005587 0.019903 -0.045401 -0.019408 8 C 1 Y 0.042848 0.000389 -0.000095 -0.011122 0.011306 9 C 1 Z -0.002758 -0.000714 -0.002363 0.007147 0.002020 10 C 1 XX -0.000476 -0.000067 0.000369 -0.000639 -0.000025 11 C 1 YY 0.001491 -0.000169 -0.000001 -0.000952 -0.000119 12 C 1 ZZ -0.001015 0.000236 -0.000369 0.001591 0.000144 13 C 1 XY -0.005276 0.000103 0.000468 0.001534 -0.000877 14 C 1 XZ -0.000865 0.000062 -0.000372 0.000887 0.000057 15 C 1 YZ -0.000517 0.000231 -0.000407 0.000910 0.000122 16 C 2 S 0.001404 0.000049 -0.000334 0.000108 0.000721 17 C 2 S -0.005701 0.002698 0.001834 0.004109 0.002217 18 C 2 S -0.022960 0.000642 -0.000406 -0.012826 -0.011464 19 C 2 X 0.015081 0.002906 -0.032705 0.050915 0.030956 20 C 2 Y 0.154369 -0.004506 0.011442 -0.059050 0.011321 21 C 2 Z 0.003016 0.004423 0.000039 0.003039 -0.001264 22 C 2 X -0.000455 -0.000506 -0.012610 0.003766 0.008317 23 C 2 Y 0.040281 -0.004785 0.002249 -0.031711 0.004139 24 C 2 Z 0.002991 0.003519 0.000401 -0.003641 -0.000179 25 C 2 XX -0.004572 0.000600 -0.002157 0.005186 0.001167 26 C 2 YY 0.005280 -0.000717 0.002269 -0.005435 -0.000765 27 C 2 ZZ -0.000708 0.000117 -0.000113 0.000249 -0.000402 28 C 2 XY -0.003365 0.000047 0.000363 0.000995 -0.000497 29 C 2 XZ -0.000176 -0.000183 -0.000031 0.000202 -0.000033 30 C 2 YZ -0.000904 0.001039 -0.000390 0.001293 -0.000497 31 C 3 S -0.000556 -0.000121 0.000674 0.001926 0.000068 32 C 3 S 0.042399 -0.003464 0.010110 -0.013769 -0.008201 33 C 3 S 0.035132 -0.004286 -0.008170 -0.071544 0.009276 34 C 3 X 0.030943 0.001824 0.000898 0.003406 0.011082 35 C 3 Y -0.105697 0.001233 -0.015092 0.062880 -0.004808 36 C 3 Z -0.023294 0.020616 -0.007172 0.034545 -0.003920 37 C 3 X 0.045042 0.010384 0.019329 0.028901 -0.003142 38 C 3 Y -0.050506 0.000503 -0.020200 -0.001371 0.000283 39 C 3 Z -0.001526 0.007621 -0.000491 0.012173 -0.000705 40 C 3 XX -0.006087 0.000059 -0.002369 0.001360 0.002234 41 C 3 YY 0.007219 0.000215 0.002078 -0.001927 -0.001425 42 C 3 ZZ -0.001132 -0.000274 0.000291 0.000567 -0.000809 43 C 3 XY -0.004926 -0.000762 0.002881 -0.005173 -0.001658 44 C 3 XZ -0.002597 -0.000792 -0.000254 0.000858 0.001009 45 C 3 YZ -0.001635 0.000647 -0.000470 0.001637 -0.001014 46 C 4 S 0.002750 -0.000021 0.000624 -0.002055 0.000318 47 C 4 S -0.072307 0.003562 -0.005381 0.003251 -0.009232 48 C 4 S -0.115894 0.007129 -0.017482 0.040515 -0.013681 49 C 4 X -0.016944 0.002971 -0.021042 0.029375 0.009232 50 C 4 Y 0.033143 -0.010490 0.031773 -0.096103 -0.017366 51 C 4 Z -0.078319 0.020418 -0.026008 0.079026 -0.011568 52 C 4 X -0.009301 0.000918 -0.019356 0.009458 0.012146 53 C 4 Y 0.028924 0.001956 0.030919 -0.058234 -0.012622 54 C 4 Z -0.037464 0.011277 -0.017263 0.044465 -0.007214 55 C 4 XX -0.006623 0.000674 -0.001975 0.007941 0.000484 56 C 4 YY 0.006475 -0.000012 0.001936 -0.006166 -0.000318 57 C 4 ZZ 0.000148 -0.000662 0.000040 -0.001775 -0.000166 58 C 4 XY 0.005589 0.000213 0.000304 0.000618 -0.001387 59 C 4 XZ -0.000073 -0.001762 0.000472 -0.002040 0.000248 60 C 4 YZ -0.004246 0.000345 -0.001158 0.003311 -0.000366 61 S 5 S 0.000499 -0.000017 0.000085 -0.000393 0.000011 62 S 5 S 0.003209 -0.000073 0.000686 -0.002582 0.000033 63 S 5 S -0.022220 0.002771 0.003495 0.014405 -0.000710 64 S 5 S -0.047473 0.005853 0.006688 0.031537 -0.004823 65 S 5 X -0.000081 -0.000018 -0.000617 0.000644 0.000389 66 S 5 Y 0.002051 -0.000044 0.000882 -0.001791 -0.000410 67 S 5 Z 0.000700 -0.000073 0.000539 -0.000964 -0.000159 68 S 5 X -0.002792 -0.000493 0.011724 -0.011097 -0.009423 69 S 5 Y -0.059081 0.005519 -0.025752 0.057688 0.013610 70 S 5 Z -0.033939 0.005868 -0.017402 0.042172 0.003059 71 S 5 X 0.001606 -0.000913 0.005549 -0.005792 -0.003287 72 S 5 Y -0.025320 0.000756 -0.010235 0.025363 0.005025 73 S 5 Z -0.016714 0.003602 -0.010191 0.025437 0.001904 74 S 5 XX -0.003298 0.000720 -0.003615 0.007259 0.003122 75 S 5 YY 0.006483 -0.001154 0.004088 -0.010294 -0.002899 76 S 5 ZZ -0.003185 0.000434 -0.000473 0.003035 -0.000223 77 S 5 XY 0.015685 -0.000923 0.005095 -0.011330 -0.001683 78 S 5 XZ 0.006267 -0.001291 0.003132 -0.007845 -0.000725 79 S 5 YZ -0.004101 0.000260 -0.001308 0.003071 0.000102 80 S 5 XX -0.000549 0.000108 -0.000628 0.001336 0.000544 81 S 5 YY 0.001276 -0.000201 0.000759 -0.001982 -0.000527 82 S 5 ZZ -0.000727 0.000093 -0.000132 0.000646 -0.000018 83 S 5 XY 0.002820 -0.000183 0.000965 -0.002085 -0.000333 84 S 5 XZ 0.001189 -0.000201 0.000598 -0.001382 -0.000133 85 S 5 YZ -0.000857 0.000082 -0.000302 0.000616 0.000034 86 H 6 S -0.106030 0.002782 0.012768 0.010419 -0.021574 87 H 6 S -0.039144 -0.003477 0.004916 -0.009940 -0.004584 88 H 6 X -0.006786 0.000279 -0.000230 0.002083 -0.001326 89 H 6 Y -0.004620 -0.000022 0.001423 -0.001166 -0.001136 90 H 6 Z -0.000141 0.000183 -0.000002 0.000200 -0.000251 91 C 7 S 0.001065 -0.000325 0.001244 0.001566 -0.000106 92 C 7 S -0.042510 -0.004245 0.012943 -0.030687 0.004795 93 C 7 S -0.041720 0.031237 -0.000112 -0.062324 -0.013385 94 C 7 X -0.090723 -0.004552 0.008324 -0.014977 -0.000683 95 C 7 Y -0.107239 -0.003313 0.004879 -0.031322 -0.015288 96 C 7 Z 0.007457 0.021065 0.005216 0.001780 -0.012908 97 C 7 X -0.048543 -0.004634 0.019065 -0.006504 0.010540 98 C 7 Y -0.070668 -0.027458 0.008997 -0.006808 -0.008711 99 C 7 Z 0.008939 0.010756 0.003457 0.000201 -0.008717 100 C 7 XX 0.006496 0.001344 -0.001334 0.003207 -0.002145 101 C 7 YY -0.009215 -0.000722 0.001630 -0.003899 0.001078 102 C 7 ZZ 0.002719 -0.000622 -0.000296 0.000692 0.001067 103 C 7 XY 0.003653 0.002811 -0.003059 0.009383 -0.000550 104 C 7 XZ -0.001709 -0.001460 0.000295 -0.002236 -0.000290 105 C 7 YZ -0.000765 -0.000919 0.001206 -0.003106 -0.000446 106 C 8 S -0.000661 0.000326 0.000031 0.000224 0.000265 107 C 8 S 0.027023 -0.002334 0.003230 -0.025017 0.001578 108 C 8 S 0.041476 -0.010311 0.005438 -0.023461 0.000694 109 C 8 X -0.057021 -0.020526 0.027703 -0.093016 0.004182 110 C 8 Y 0.148481 -0.004951 0.010295 -0.030927 0.025139 111 C 8 Z 0.008849 -0.001797 0.013884 -0.037459 -0.004993 112 C 8 X -0.042073 -0.006904 0.019392 -0.052898 0.005373 113 C 8 Y 0.071771 0.000196 0.003720 -0.004953 0.015348 114 C 8 Z 0.003640 -0.001076 0.005895 -0.019506 -0.001243 115 C 8 XX 0.003009 -0.000491 0.000868 -0.001787 0.000523 116 C 8 YY -0.000913 0.000511 -0.000904 0.001546 -0.000567 117 C 8 ZZ -0.002096 -0.000020 0.000036 0.000241 0.000044 118 C 8 XY -0.003066 0.000623 -0.000600 -0.000234 -0.000805 119 C 8 XZ -0.000239 -0.000112 -0.000248 0.000183 0.000070 120 C 8 YZ 0.000787 0.000166 -0.000674 0.001766 0.000135 121 C 9 S -0.001481 0.000678 0.000384 -0.000360 -0.000133 122 C 9 S 0.071458 -0.002581 0.002879 -0.016561 0.005446 123 C 9 S 0.082172 -0.020007 -0.015782 0.010972 0.005743 124 C 9 X 0.069753 0.020981 -0.027430 0.072951 -0.009596 125 C 9 Y -0.039216 0.024527 -0.040948 0.128229 -0.000591 126 C 9 Z -0.045523 0.005977 0.013918 -0.030331 -0.024106 127 C 9 X 0.047248 0.017227 -0.013752 0.045769 -0.005028 128 C 9 Y -0.020176 0.012259 -0.025404 0.080905 -0.002190 129 C 9 Z -0.020697 -0.008347 0.001155 -0.014331 -0.010154 130 C 9 XX 0.003370 -0.000519 -0.000461 0.003919 0.001994 131 C 9 YY -0.004586 -0.000217 0.000020 -0.001783 -0.001749 132 C 9 ZZ 0.001216 0.000735 0.000441 -0.002136 -0.000245 133 C 9 XY 0.008710 0.001458 -0.002000 0.007578 -0.000859 134 C 9 XZ 0.000733 -0.001044 -0.000483 0.000162 0.000061 135 C 9 YZ 0.000487 0.000526 -0.000294 0.002109 0.000391 136 C 10 S -0.001107 -0.000032 0.000635 -0.003930 -0.000165 137 C 10 S 0.062407 0.015262 -0.017609 0.045537 -0.011217 138 C 10 S 0.047290 0.001692 -0.014869 0.080559 -0.006170 139 C 10 X 0.041392 0.004940 -0.005873 0.043902 0.034161 140 C 10 Y 0.052167 -0.001434 0.011336 -0.059690 -0.017095 141 C 10 Z -0.014898 0.030558 0.001513 0.014130 -0.009690 142 C 10 X -0.003193 -0.033478 0.007223 0.026139 0.011207 143 C 10 Y 0.003700 -0.003906 0.017873 -0.024634 0.023408 144 C 10 Z -0.011286 0.025894 -0.009090 -0.001118 -0.006488 145 C 10 XX 0.004172 -0.000521 0.001132 -0.005084 -0.001904 146 C 10 YY -0.004272 0.001233 -0.002015 0.004501 0.001378 147 C 10 ZZ 0.000100 -0.000712 0.000883 0.000584 0.000526 148 C 10 XY 0.002485 -0.003240 0.000209 -0.005983 0.003015 149 C 10 XZ -0.002613 0.002432 0.004332 0.000167 -0.003126 150 C 10 YZ -0.000151 -0.001031 -0.000126 -0.001388 -0.000686 151 C 11 S -0.000419 -0.000938 -0.000454 -0.003265 -0.001017 152 C 11 S -0.051463 -0.000870 -0.018158 0.011163 0.014025 153 C 11 S -0.018330 0.015820 0.017441 0.053558 0.017550 154 C 11 X -0.001883 0.001201 -0.004429 0.066411 -0.020655 155 C 11 Y 0.005453 0.008891 -0.013928 0.084867 0.009189 156 C 11 Z -0.005498 0.030570 -0.002487 0.028079 -0.004820 157 C 11 X 0.019659 0.005003 0.009917 0.066486 -0.009858 158 C 11 Y -0.025800 -0.000526 -0.007623 0.011948 0.031514 159 C 11 Z 0.003437 0.021090 -0.001490 0.017806 -0.001109 160 C 11 XX -0.005851 -0.002209 0.001320 -0.007611 -0.001796 161 C 11 YY 0.004999 0.001976 -0.001942 0.006509 0.001156 162 C 11 ZZ 0.000851 0.000233 0.000621 0.001102 0.000640 163 C 11 XY 0.000504 0.002018 -0.001876 0.000944 0.003968 164 C 11 XZ -0.000414 0.002459 0.001974 0.000630 0.003671 165 C 11 YZ -0.000074 0.001896 0.001247 0.000782 0.000184 166 C 12 S -0.001998 0.001294 -0.001150 -0.001958 0.001770 167 C 12 S -0.007781 -0.003965 0.002625 -0.024623 -0.011901 168 C 12 S 0.012072 -0.035258 0.012124 -0.017134 -0.043872 169 C 12 X 0.004745 0.013764 -0.007104 -0.008824 -0.025327 170 C 12 Y -0.010543 0.031666 0.004116 0.066502 0.024969 171 C 12 Z 0.016714 -0.036076 -0.062367 0.030123 0.050256 172 C 12 X -0.008119 -0.002318 0.001986 -0.003857 -0.015242 173 C 12 Y 0.003538 0.009077 -0.022536 0.000002 0.018713 174 C 12 Z -0.006226 0.018694 0.031576 0.010953 -0.001510 175 C 12 XX 0.007882 -0.000466 0.000151 -0.001725 -0.007637 176 C 12 YY -0.005477 0.012351 0.024698 -0.004442 -0.013699 177 C 12 ZZ -0.002405 -0.011885 -0.024850 0.006167 0.021336 178 C 12 XY 0.003666 -0.007674 -0.003538 -0.003145 0.002741 179 C 12 XZ -0.012061 0.013245 0.009179 -0.001595 -0.005564 180 C 12 YZ 0.002572 -0.007496 -0.015102 -0.015995 0.004786 181 C 13 S 0.000456 -0.000338 -0.002055 -0.000057 -0.000522 182 C 13 S -0.002942 -0.000870 0.007034 -0.037147 -0.005207 183 C 13 S -0.014013 0.014791 0.032504 -0.076381 -0.002085 184 C 13 X -0.015174 0.018937 0.010993 -0.100119 -0.011765 185 C 13 Y 0.000917 0.007967 0.001332 0.005817 -0.027881 186 C 13 Z -0.009316 -0.061577 0.044239 -0.061459 -0.007841 187 C 13 X -0.000240 -0.007365 0.022553 -0.016769 0.001765 188 C 13 Y -0.016293 -0.005203 0.008160 0.000697 -0.008585 189 C 13 Z -0.004626 0.017859 -0.017738 -0.016846 -0.004715 190 C 13 XX -0.002277 -0.030925 0.018845 0.000739 0.003591 191 C 13 YY 0.001158 -0.000524 0.005214 -0.007457 -0.002901 192 C 13 ZZ 0.001119 0.031449 -0.024059 0.006718 -0.000690 193 C 13 XY 0.010084 -0.001270 0.002348 0.005540 -0.007131 194 C 13 XZ -0.002660 0.001634 -0.002771 -0.022781 -0.005744 195 C 13 YZ -0.011176 -0.004832 0.000404 -0.004456 0.008448 196 C 14 S 0.001893 0.001396 -0.000578 -0.001564 -0.002030 197 C 14 S 0.000423 -0.004495 0.002563 -0.034991 0.003266 198 C 14 S -0.025306 -0.024904 0.006923 -0.031677 0.027416 199 C 14 X -0.005562 0.014238 -0.005623 -0.031656 0.018490 200 C 14 Y -0.033067 -0.028298 0.011326 -0.109727 0.008144 201 C 14 Z 0.003559 -0.038903 -0.038846 0.031417 -0.060162 202 C 14 X 0.000972 0.006860 -0.009077 -0.002808 0.010357 203 C 14 Y 0.004884 -0.011082 0.005017 -0.004861 0.016525 204 C 14 Z 0.006588 0.019868 0.022193 0.001717 0.023044 205 C 14 XX -0.010346 -0.006188 -0.000294 -0.011464 0.002887 206 C 14 YY -0.004635 0.007710 0.010724 -0.012430 0.014175 207 C 14 ZZ 0.014981 -0.001522 -0.010430 0.023894 -0.017062 208 C 14 XY -0.001940 0.001581 -0.001957 -0.000388 -0.000418 209 C 14 XZ 0.010074 0.014511 0.003361 -0.005865 0.008354 210 C 14 YZ 0.001744 0.013330 0.014988 0.010794 0.028082 211 F 15 S 0.000023 0.000002 0.001697 -0.000719 -0.001257 212 F 15 S -0.001248 -0.000181 0.008357 -0.004381 -0.007239 213 F 15 S -0.003559 0.001967 0.001300 -0.003083 -0.005268 214 F 15 X -0.160031 0.088633 0.041686 -0.019598 0.012229 215 F 15 Y -0.004647 -0.139710 -0.275605 -0.181865 0.169960 216 F 15 Z -0.064597 0.130139 0.182695 -0.031456 -0.133133 217 F 15 X -0.110552 0.058222 0.031008 -0.013828 0.009590 218 F 15 Y -0.004804 -0.102755 -0.191831 -0.131799 0.113906 219 F 15 Z -0.043487 0.089706 0.126404 -0.022385 -0.091480 220 F 15 XX -0.001744 0.002073 0.001713 -0.000868 -0.001436 221 F 15 YY -0.000277 0.002274 0.003638 -0.000023 -0.002495 222 F 15 ZZ 0.002021 -0.004347 -0.005352 0.000891 0.003930 223 F 15 XY 0.000244 -0.000811 -0.002048 -0.000906 0.001156 224 F 15 XZ 0.002609 -0.000566 0.000529 0.000042 -0.001104 225 F 15 YZ 0.000296 0.002214 0.004439 0.003009 -0.002998 226 F 16 S 0.000388 -0.000662 -0.001115 -0.000991 0.000046 227 F 16 S 0.002323 -0.003451 -0.004582 -0.002352 0.000253 228 F 16 S 0.000399 -0.003111 -0.000385 0.004162 0.002828 229 F 16 X 0.010859 -0.071054 -0.051944 0.027655 0.066095 230 F 16 Y 0.059621 -0.022174 0.048791 -0.049122 -0.069961 231 F 16 Z 0.000454 0.190826 0.353922 0.036500 -0.242010 232 F 16 X 0.007521 -0.049631 -0.036478 0.021265 0.047761 233 F 16 Y 0.041000 -0.016449 0.036495 -0.035778 -0.052033 234 F 16 Z -0.000766 0.129953 0.245053 0.023850 -0.169280 235 F 16 XX 0.000694 -0.001636 -0.001632 -0.000703 0.000710 236 F 16 YY -0.001499 0.000154 -0.001953 0.000618 0.002069 237 F 16 ZZ 0.000805 0.001482 0.003585 0.000085 -0.002779 238 F 16 XY 0.000330 0.000759 0.001179 -0.000947 -0.001405 239 F 16 XZ -0.000108 0.000943 0.001727 0.000761 -0.000927 240 F 16 YZ 0.000877 -0.003880 -0.005838 -0.001828 0.003254 241 F 17 S -0.000630 -0.000900 -0.000520 -0.001215 -0.000948 242 F 17 S -0.001005 -0.004328 -0.002758 -0.004202 -0.003385 243 F 17 S 0.005680 -0.001766 -0.001715 0.003157 -0.001816 244 F 17 X -0.044188 -0.078909 -0.038688 0.090798 -0.078594 245 F 17 Y 0.099176 0.006222 -0.077430 0.129235 -0.155728 246 F 17 Z -0.044609 0.154176 0.186988 -0.031369 0.369448 247 F 17 X -0.030058 -0.055399 -0.025828 0.065876 -0.055360 248 F 17 Y 0.069362 0.006394 -0.055189 0.092865 -0.111559 249 F 17 Z -0.028998 0.105449 0.128864 -0.022454 0.256824 250 F 17 XX -0.000876 -0.001541 -0.000730 -0.001199 -0.001466 251 F 17 YY 0.002065 -0.000592 -0.002347 0.001920 -0.004775 252 F 17 ZZ -0.001189 0.002133 0.003077 -0.000722 0.006241 253 F 17 XY -0.000316 -0.001078 -0.000867 0.001518 -0.001572 254 F 17 XZ -0.000460 -0.000133 -0.000026 0.001171 0.000330 255 F 17 YZ 0.001246 0.003280 0.002075 0.002090 0.004237 256 F 18 S -0.000709 0.000001 0.001189 -0.001638 0.001401 257 F 18 S -0.003601 -0.000763 0.005434 -0.008294 0.007949 258 F 18 S -0.000081 -0.000025 -0.000963 -0.001323 0.005901 259 F 18 X 0.210153 0.108484 -0.016287 0.028505 -0.025173 260 F 18 Y 0.043974 0.100107 0.104602 0.177163 0.288310 261 F 18 Z 0.046650 0.155139 0.130792 -0.041631 0.266999 262 F 18 X 0.145880 0.071282 -0.009785 0.019465 -0.017398 263 F 18 Y 0.030582 0.074699 0.074494 0.129166 0.200376 264 F 18 Z 0.031501 0.108845 0.091866 -0.029005 0.184149 265 F 18 XX 0.001711 0.002174 0.000545 -0.001396 0.001342 266 F 18 YY -0.000150 0.002503 0.002844 0.000135 0.005905 267 F 18 ZZ -0.001561 -0.004677 -0.003389 0.001261 -0.007247 268 F 18 XY 0.001567 0.000924 0.000645 0.001009 0.001623 269 F 18 XZ -0.003622 -0.000641 0.001283 -0.001107 0.002252 270 F 18 YZ -0.000513 -0.000071 -0.000312 -0.003341 -0.002379 271 C 19 S 0.002015 -0.000410 0.000642 -0.001613 0.000497 272 C 19 S -0.018095 0.001750 -0.002236 0.007619 -0.001960 273 C 19 S -0.024620 0.003847 -0.008241 0.015495 -0.007718 274 C 19 X -0.127636 -0.006397 0.009186 -0.025427 -0.014381 275 C 19 Y -0.032543 0.020253 -0.032673 0.113458 -0.012439 276 C 19 Z -0.012332 0.001882 0.006766 -0.015311 -0.009899 277 C 19 X -0.045748 -0.002384 0.003212 -0.007989 -0.005531 278 C 19 Y -0.013124 0.007692 -0.011237 0.044102 -0.003236 279 C 19 Z -0.005586 0.001187 0.003783 -0.006407 -0.004508 280 C 19 XX -0.001782 -0.000296 0.000850 -0.002268 -0.000084 281 C 19 YY 0.002611 -0.000953 0.001193 -0.004660 0.000719 282 C 19 ZZ -0.000829 0.001250 -0.002043 0.006928 -0.000635 283 C 19 XY 0.008683 -0.000622 0.001182 -0.004464 0.001435 284 C 19 XZ 0.001244 -0.000162 -0.000302 0.000442 0.000632 285 C 19 YZ 0.000904 -0.000310 0.000474 -0.001816 0.000192 286 H 20 S -0.108643 -0.007706 0.012145 -0.036115 -0.010957 287 H 20 S -0.033082 -0.002609 0.004579 -0.012647 -0.003153 288 H 20 X 0.007446 0.000535 -0.000789 0.002457 0.000740 289 H 20 Y -0.003391 0.000409 -0.000677 0.002345 -0.000595 290 H 20 Z -0.000119 0.000042 0.000169 -0.000492 -0.000252 291 H 21 S -0.003091 0.011751 -0.024693 0.079629 0.000160 292 H 21 S -0.003055 0.003930 -0.007763 0.025974 -0.000641 293 H 21 X -0.003638 -0.000030 -0.000068 0.000355 -0.000342 294 H 21 Y 0.000099 -0.000195 0.000590 -0.001805 -0.000287 295 H 21 Z -0.000572 0.000985 -0.001728 0.005726 -0.000251 296 C 22 S -0.000996 -0.000103 0.000415 -0.000479 -0.000693 297 C 22 S 0.004584 0.000971 -0.002667 0.006221 0.003291 298 C 22 S 0.016094 0.001690 -0.005710 0.002180 0.009197 299 C 22 X 0.064294 -0.001462 0.017622 -0.041755 -0.000029 300 C 22 Y 0.009739 -0.008851 0.031018 -0.078915 -0.035128 301 C 22 Z -0.009338 0.002065 -0.005077 0.013052 -0.000353 302 C 22 X 0.020807 -0.000245 0.006992 -0.013461 -0.000525 303 C 22 Y 0.004270 -0.002627 0.011012 -0.029920 -0.012619 304 C 22 Z -0.002991 0.001240 -0.002384 0.004888 0.000033 305 C 22 XX -0.001527 0.000278 -0.001387 0.003240 0.001196 306 C 22 YY -0.002210 -0.000380 0.001072 -0.002464 -0.001959 307 C 22 ZZ 0.003737 0.000103 0.000315 -0.000776 0.000763 308 C 22 XY 0.000318 0.000484 -0.001416 0.004049 0.002024 309 C 22 XZ -0.000088 0.000132 -0.000305 0.000849 0.000169 310 C 22 YZ -0.000661 0.000077 -0.000102 0.000150 -0.000184 311 H 23 S -0.040249 0.006893 -0.030773 0.076994 0.023941 312 H 23 S -0.013267 0.002943 -0.009950 0.027392 0.007302 313 H 23 X -0.000695 0.000446 -0.001651 0.004072 0.001661 314 H 23 Y -0.002478 0.000297 -0.001418 0.003544 0.000787 315 H 23 Z -0.000383 0.000066 -0.000209 0.000595 0.000041 316 H 24 S 0.027677 0.002483 -0.000241 0.001897 0.006624 317 H 24 S 0.007619 0.001131 -0.000765 0.002664 0.002807 318 H 24 X 0.000362 -0.000241 0.000642 -0.001690 -0.000520 319 H 24 Y 0.000775 -0.000189 0.000804 -0.002069 -0.000758 320 H 24 Z -0.002476 -0.000152 -0.000147 0.000249 -0.000521 321 H 25 S 0.038260 -0.001164 0.008567 -0.021183 0.004243 322 H 25 S 0.012045 -0.000615 0.002666 -0.006830 0.001917 323 H 25 X -0.000030 -0.000020 0.000180 -0.000479 -0.000355 324 H 25 Y 0.000538 -0.000235 0.000857 -0.002149 -0.000830 325 H 25 Z 0.002968 -0.000041 0.000567 -0.001296 0.000361 326 C 26 S 0.001516 -0.000692 0.000098 0.000517 0.000433 327 C 26 S -0.022286 0.004923 0.001019 0.001414 -0.005205 328 C 26 S -0.028234 0.009389 -0.002049 -0.006387 -0.004826 329 C 26 X 0.037922 0.021447 -0.014705 0.045422 -0.006611 330 C 26 Y -0.012327 0.015703 -0.031819 0.090924 0.006234 331 C 26 Z 0.086007 -0.014924 0.002334 -0.021796 0.022609 332 C 26 X 0.010812 0.002802 -0.005208 0.020345 -0.004254 333 C 26 Y 0.001200 -0.000851 -0.009404 0.034051 0.001321 334 C 26 Z 0.035068 -0.010312 0.000643 -0.008688 0.007925 335 C 26 XX -0.003036 0.000482 0.000826 -0.001868 -0.001101 336 C 26 YY -0.005183 0.000982 -0.000874 0.003033 -0.000669 337 C 26 ZZ 0.008220 -0.001464 0.000048 -0.001165 0.001771 338 C 26 XY -0.000104 -0.000547 0.000930 -0.003797 0.000400 339 C 26 XZ 0.001463 0.000503 -0.000806 0.001400 -0.000006 340 C 26 YZ 0.002632 -0.000068 -0.000278 0.000335 0.000667 341 H 27 S -0.043726 -0.016484 0.025738 -0.070794 -0.006707 342 H 27 S -0.010968 -0.018886 0.010030 -0.012336 -0.007190 343 H 27 X -0.002159 -0.001407 0.001800 -0.003412 -0.001016 344 H 27 Y -0.003750 -0.001195 0.000849 -0.001359 -0.000626 345 H 27 Z 0.001014 -0.000809 0.000525 -0.001448 0.000185 346 H 28 S -0.063372 0.017207 -0.021363 0.067603 -0.006962 347 H 28 S -0.017990 0.005764 -0.007134 0.019630 -0.001477 348 H 28 X -0.000081 0.001176 -0.000823 0.002410 -0.000260 349 H 28 Y 0.005116 -0.000924 0.000892 -0.003284 0.000785 350 H 28 Z -0.000910 0.000580 -0.000870 0.002062 0.000254 351 H 29 S -0.004765 0.017464 -0.000468 0.010445 -0.015442 352 H 29 S -0.000153 0.005998 0.000916 0.000467 -0.004470 353 H 29 X 0.001243 -0.000908 -0.000373 0.000410 0.001263 354 H 29 Y -0.000862 0.001519 -0.001099 0.003065 -0.000421 355 H 29 Z 0.001330 0.000290 0.000118 -0.000448 0.000150 356 C 30 S -0.001909 0.000904 -0.000184 0.001634 -0.000188 357 C 30 S 0.026056 -0.005831 0.003486 -0.011530 0.003424 358 C 30 S 0.035511 -0.014251 0.001856 -0.027079 0.004594 359 C 30 X -0.000994 -0.011334 -0.015049 0.006810 0.012027 360 C 30 Y 0.037829 -0.008617 0.032062 -0.085399 -0.013043 361 C 30 Z 0.097307 -0.016197 0.015413 -0.039845 0.019542 362 C 30 X -0.000485 -0.001486 -0.000198 0.004051 0.003533 363 C 30 Y 0.015339 -0.006176 0.004839 -0.030836 -0.004417 364 C 30 Z 0.035170 -0.005969 0.001207 -0.010823 0.006294 365 C 30 XX 0.005816 -0.001081 0.001564 -0.004670 0.000084 366 C 30 YY 0.003262 -0.000330 -0.000355 0.001036 0.001323 367 C 30 ZZ -0.009078 0.001411 -0.001209 0.003634 -0.001407 368 C 30 XY -0.000122 -0.000407 -0.000183 -0.000175 0.000427 369 C 30 XZ -0.000466 -0.000038 0.000163 -0.000296 -0.000006 370 C 30 YZ -0.003311 0.000613 -0.000319 0.001774 -0.000593 371 H 31 S 0.030677 -0.005104 -0.015264 0.036874 0.020415 372 H 31 S 0.011354 -0.002690 -0.006408 0.009702 0.007043 373 H 31 X -0.000326 -0.000410 -0.000497 0.000041 0.000279 374 H 31 Y 0.003785 -0.000684 -0.000343 0.001011 0.001453 375 H 31 Z 0.000271 0.000022 0.001095 -0.002144 -0.000502 376 H 32 S 0.053224 -0.001609 0.028884 -0.054261 -0.007072 377 H 32 S 0.014286 0.007039 0.022411 -0.014567 -0.001086 378 H 32 X 0.004535 -0.000247 0.002794 -0.004599 -0.000071 379 H 32 Y -0.001960 -0.000312 -0.000849 0.000276 -0.000234 380 H 32 Z 0.000792 -0.000484 -0.000684 0.000515 0.000529 381 H 33 S 0.050916 -0.018325 0.010239 -0.050243 0.007938 382 H 33 S 0.016403 -0.006958 0.003782 -0.018440 0.003335 383 H 33 X -0.004410 0.001109 -0.001553 0.004496 -0.000271 384 H 33 Y -0.002085 0.000991 0.000608 0.000333 -0.000940 385 H 33 Z 0.001086 0.000199 0.000259 0.000108 0.000320 386 H 34 S -0.006823 0.011675 -0.011433 0.043855 -0.010386 387 H 34 S -0.002645 0.003138 -0.004374 0.014864 -0.003330 388 H 34 X -0.003751 0.000048 0.000092 -0.000065 -0.000605 389 H 34 Y 0.000085 0.000068 -0.000425 0.001200 0.000164 390 H 34 Z 0.000387 -0.000971 0.001183 -0.004273 0.000628 391 F 35 S -0.000238 0.001025 -0.000402 -0.001617 -0.000190 392 F 35 S -0.000765 0.006055 -0.002229 -0.006278 -0.001032 393 F 35 S 0.001161 0.006407 -0.002495 0.001843 -0.000935 394 F 35 X 0.032260 0.037201 -0.051233 0.090712 0.001946 395 F 35 Y -0.161885 -0.053988 0.010703 -0.011862 0.078293 396 F 35 Z -0.003013 0.414126 -0.279870 -0.053961 -0.035295 397 F 35 X 0.022879 0.028377 -0.039591 0.066875 0.000983 398 F 35 Y -0.107653 -0.036342 0.006473 -0.008008 0.054396 399 F 35 Z -0.001784 0.285322 -0.193335 -0.034286 -0.023792 400 F 35 XX 0.001006 0.001885 -0.002207 0.001999 -0.000150 401 F 35 YY -0.000851 0.000807 -0.000252 -0.001533 -0.000069 402 F 35 ZZ -0.000155 -0.002693 0.002459 -0.000466 0.000219 403 F 35 XY -0.002774 -0.000961 0.000132 0.000224 0.001058 404 F 35 XZ -0.000541 0.008044 -0.004822 -0.002960 -0.000876 405 F 35 YZ 0.001324 0.001074 -0.000572 -0.000158 -0.000546 406 F 36 S -0.000451 -0.000692 0.001876 -0.001906 0.000050 407 F 36 S -0.002676 -0.003154 0.009591 -0.007671 0.000884 408 F 36 S -0.001087 -0.005281 0.001190 0.003676 0.001248 409 F 36 X 0.034971 -0.290240 0.177743 0.260746 0.069880 410 F 36 Y 0.142880 -0.012872 0.047186 0.021107 -0.084095 411 F 36 Z 0.028179 0.157397 -0.103724 0.071667 -0.008464 412 F 36 X 0.025166 -0.202736 0.122155 0.187886 0.048543 413 F 36 Y 0.098483 -0.009341 0.030978 0.013793 -0.051530 414 F 36 Z 0.019703 0.107829 -0.069964 0.053501 -0.004115 415 F 36 XX -0.000260 -0.003419 0.002348 -0.000810 0.000130 416 F 36 YY -0.000544 -0.001862 0.000372 -0.001374 -0.000015 417 F 36 ZZ 0.000803 0.005281 -0.002720 0.002184 -0.000115 418 F 36 XY 0.000137 0.000411 -0.000191 -0.000377 0.000131 419 F 36 XZ 0.000681 -0.005873 0.003508 0.004448 0.001258 420 F 36 YZ 0.002748 -0.000745 0.001044 0.000143 -0.001658 421 C 37 S -0.000733 -0.000458 0.000006 0.000257 -0.000374 422 C 37 S -0.003169 0.000209 -0.002275 0.020532 -0.000119 423 C 37 S 0.021257 0.006765 0.001250 0.005324 0.007027 424 C 37 X 0.038619 -0.028347 0.044182 -0.105637 0.026495 425 C 37 Y -0.118905 -0.013213 0.014100 -0.055131 -0.009778 426 C 37 Z -0.029393 -0.005170 0.016303 -0.046957 -0.008719 427 C 37 X 0.010460 -0.017476 0.014222 -0.029307 0.007844 428 C 37 Y -0.025391 -0.003154 -0.000374 -0.008212 -0.003064 429 C 37 Z -0.005039 -0.002076 0.007017 -0.016146 -0.004431 430 C 37 XX 0.001320 0.000714 -0.000238 0.002964 0.000608 431 C 37 YY -0.002305 -0.000086 -0.000034 -0.002144 -0.001053 432 C 37 ZZ 0.000985 -0.000628 0.000272 -0.000820 0.000445 433 C 37 XY 0.005815 0.001236 -0.001198 0.002677 -0.000005 434 C 37 XZ 0.002042 0.000367 -0.001587 0.003810 0.000844 435 C 37 YZ 0.000511 0.000247 0.000043 -0.000572 -0.000271 436 S 38 S -0.000197 -0.000037 -0.000086 0.000237 -0.000152 437 S 38 S -0.000649 -0.000361 -0.000433 0.001459 -0.000935 438 S 38 S 0.030696 -0.007455 0.009675 -0.010174 0.005029 439 S 38 S 0.053675 -0.000941 0.016604 -0.027856 0.016017 440 S 38 X -0.001222 -0.000587 0.000451 -0.001475 -0.000019 441 S 38 Y -0.003672 -0.000286 0.000100 -0.000620 -0.000336 442 S 38 Z -0.000201 -0.000223 -0.000319 0.000322 0.000278 443 S 38 X 0.052488 0.014427 -0.019076 0.057776 -0.000823 444 S 38 Y 0.125125 0.000161 -0.004989 0.029363 0.013195 445 S 38 Z 0.009752 0.006060 0.009680 -0.017667 -0.008570 446 S 38 X 0.014742 0.012681 -0.009436 0.026383 -0.000379 447 S 38 Y 0.055000 -0.003720 -0.000945 0.014852 0.004055 448 S 38 Z 0.003267 0.004905 0.009374 -0.013838 -0.008037 449 S 38 XX 0.025278 0.003080 -0.004441 0.014693 0.000945 450 S 38 YY -0.029923 -0.001946 0.003759 -0.013512 -0.001905 451 S 38 ZZ 0.004645 -0.001134 0.000683 -0.001181 0.000960 452 S 38 XY 0.008028 -0.001257 0.001785 -0.005107 0.001583 453 S 38 XZ 0.001198 -0.000425 0.000572 -0.002686 -0.000171 454 S 38 YZ -0.001045 -0.001747 -0.000977 0.000756 0.001206 455 S 38 XX 0.004796 0.000496 -0.000845 0.002605 0.000168 456 S 38 YY -0.005690 -0.000348 0.000690 -0.002392 -0.000357 457 S 38 ZZ 0.000894 -0.000149 0.000155 -0.000212 0.000189 458 S 38 XY 0.001240 -0.000220 0.000255 -0.001020 0.000230 459 S 38 XZ 0.000219 -0.000049 0.000126 -0.000412 -0.000055 460 S 38 YZ -0.000252 -0.000253 -0.000145 0.000150 0.000194 461 H 39 S 0.048446 -0.019343 0.031158 -0.060576 0.023932 462 H 39 S 0.015485 -0.003398 0.010080 -0.020451 0.008193 463 H 39 X -0.004206 0.001543 -0.002086 0.003819 -0.001756 464 H 39 Y -0.001775 -0.000645 0.001067 -0.002750 0.000192 465 H 39 Z -0.000893 -0.000127 0.000555 -0.001726 -0.000200 76 77 78 79 80 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S 0.000448 0.000241 0.000013 -0.000795 0.000008 2 C 1 S -0.029442 0.022393 -0.037333 -0.040490 -0.010958 3 C 1 S -0.042962 0.011215 -0.040832 -0.024763 -0.004089 4 C 1 X -0.152467 -0.057085 -0.050430 0.083930 -0.040794 5 C 1 Y 0.073046 0.056608 0.071734 0.060179 -0.013758 6 C 1 Z 0.014424 0.006458 -0.015204 -0.001975 0.012528 7 C 1 X -0.077090 -0.020015 -0.023865 0.045007 -0.033752 8 C 1 Y 0.037041 0.035783 0.037005 0.038757 -0.011828 9 C 1 Z 0.009122 0.004022 -0.003796 -0.002214 0.006372 10 C 1 XX -0.000785 -0.000803 0.001783 0.006300 -0.002078 11 C 1 YY -0.000343 0.001154 -0.002564 -0.005535 0.001683 12 C 1 ZZ 0.001128 -0.000351 0.000781 -0.000765 0.000395 13 C 1 XY -0.002739 -0.008178 0.002768 0.003424 0.004581 14 C 1 XZ 0.000247 -0.000605 -0.001997 -0.000618 0.001673 15 C 1 YZ -0.000034 0.000509 -0.001628 -0.000220 -0.000412 16 C 2 S 0.001797 0.002760 -0.001760 -0.003296 0.000874 17 C 2 S 0.006888 -0.000728 0.024761 0.046267 -0.014950 18 C 2 S -0.023788 -0.022166 0.025336 0.053838 -0.032572 19 C 2 X 0.138552 0.102387 0.022494 -0.109719 0.025234 20 C 2 Y 0.037288 0.131902 0.007587 -0.002657 -0.045936 21 C 2 Z -0.011975 0.000934 -0.011135 0.013577 -0.001742 22 C 2 X 0.044068 0.046462 0.001452 -0.038671 -0.005678 23 C 2 Y 0.012972 0.047961 -0.005336 -0.010832 -0.015081 24 C 2 Z -0.003664 0.002398 -0.001159 0.003324 -0.002677 25 C 2 XX 0.006516 0.002937 0.001660 -0.006494 0.002169 26 C 2 YY -0.005337 -0.001416 -0.001163 0.006022 -0.002471 27 C 2 ZZ -0.001179 -0.001521 -0.000498 0.000472 0.000302 28 C 2 XY -0.002483 -0.009065 0.004519 0.012505 -0.000092 29 C 2 XZ -0.000245 -0.000977 -0.000728 0.000750 0.000578 30 C 2 YZ -0.002382 -0.000048 -0.002351 0.002356 -0.000064 31 C 3 S -0.000198 0.000941 -0.000001 -0.000107 -0.001514 32 C 3 S -0.035025 -0.000669 -0.008914 -0.046390 0.017519 33 C 3 S 0.025004 0.027756 -0.028125 -0.023019 0.018865 34 C 3 X 0.025637 -0.040505 0.045101 0.121176 -0.015069 35 C 3 Y -0.010929 -0.106997 0.006389 -0.051908 0.069527 36 C 3 Z -0.041690 -0.012515 -0.035862 0.043315 0.005877 37 C 3 X 0.001654 -0.021722 0.035628 0.015082 0.010971 38 C 3 Y 0.014923 -0.039526 -0.004170 -0.043481 0.036277 39 C 3 Z -0.013357 -0.005419 -0.009533 0.009881 0.002274 40 C 3 XX 0.005795 0.002511 -0.007848 -0.011595 0.003218 41 C 3 YY -0.004325 -0.002138 0.008879 0.010693 -0.003260 42 C 3 ZZ -0.001470 -0.000373 -0.001032 0.000902 0.000042 43 C 3 XY -0.007849 -0.010693 -0.003806 0.008865 -0.000308 44 C 3 XZ -0.000121 -0.002118 -0.003356 0.000842 0.001535 45 C 3 YZ -0.002771 0.000256 -0.001891 0.003558 -0.000012 46 C 4 S 0.001016 -0.000590 0.001844 -0.000706 0.001410 47 C 4 S -0.039690 0.009460 -0.042316 0.011474 -0.024803 48 C 4 S -0.068658 0.008625 -0.086893 0.042580 -0.051777 49 C 4 X 0.046650 0.084342 -0.040236 -0.085253 -0.022588 50 C 4 Y -0.047469 0.085405 0.031174 0.006225 -0.061543 51 C 4 Z -0.082768 0.031973 -0.128393 0.082602 0.012828 52 C 4 X 0.058791 0.052213 -0.026266 -0.077588 -0.000544 53 C 4 Y -0.035702 0.050032 0.019806 0.007614 -0.036733 54 C 4 Z -0.039721 0.012291 -0.086030 0.041050 0.014662 55 C 4 XX 0.002438 -0.005245 -0.000032 -0.006127 0.006197 56 C 4 YY -0.000850 0.007250 0.005813 0.004972 -0.004040 57 C 4 ZZ -0.001588 -0.002005 -0.005781 0.001155 -0.002157 58 C 4 XY -0.006719 -0.002016 0.001531 0.001998 -0.000763 59 C 4 XZ 0.002459 -0.001359 -0.000915 -0.001845 0.001838 60 C 4 YZ -0.001092 0.004760 0.002407 0.002483 0.000362 61 S 5 S -0.000070 0.000411 -0.000352 0.000019 -0.000494 62 S 5 S -0.000509 0.002188 -0.001818 0.000336 -0.002788 63 S 5 S 0.005063 -0.041754 0.040332 0.015402 0.038567 64 S 5 S -0.003098 -0.073948 0.065116 0.020385 0.070156 65 S 5 X 0.001351 0.001006 -0.000465 -0.000817 -0.000429 66 S 5 Y -0.002116 -0.000433 0.000253 0.002466 -0.000612 67 S 5 Z -0.000444 0.000033 0.001421 0.000296 -0.000436 68 S 5 X -0.036751 -0.036940 0.012959 0.031676 0.024892 69 S 5 Y 0.067927 0.011381 -0.004918 -0.089400 0.021401 70 S 5 Z 0.003014 0.000595 -0.070074 -0.000273 0.020083 71 S 5 X -0.014477 -0.022802 0.009451 0.020844 0.018023 72 S 5 Y 0.028477 0.003798 0.000437 -0.037568 0.009038 73 S 5 Z 0.000261 -0.004146 -0.047256 0.002469 0.015381 74 S 5 XX 0.013278 0.001758 0.002603 -0.006003 0.002107 75 S 5 YY -0.012281 0.001520 -0.002420 0.005772 -0.006211 76 S 5 ZZ -0.000997 -0.003278 -0.000183 0.000231 0.004104 77 S 5 XY -0.009144 0.001248 0.004952 0.017606 -0.002339 78 S 5 XZ -0.001132 -0.001095 0.009129 0.001205 -0.001620 79 S 5 YZ 0.000171 0.001901 -0.003285 -0.001803 -0.000495 80 S 5 XX 0.002283 0.000241 0.000558 -0.000993 0.000496 81 S 5 YY -0.002255 0.000373 -0.000500 0.001067 -0.001297 82 S 5 ZZ -0.000028 -0.000614 -0.000058 -0.000075 0.000802 83 S 5 XY -0.001741 0.000159 0.000952 0.003271 -0.000372 84 S 5 XZ -0.000285 -0.000217 0.001630 0.000242 -0.000322 85 S 5 YZ 0.000110 0.000375 -0.000810 -0.000366 -0.000029 86 H 6 S -0.095435 -0.143443 0.001373 0.099377 0.004855 87 H 6 S -0.028556 -0.045526 -0.007125 0.034954 0.004003 88 H 6 X -0.002840 -0.007056 0.000440 0.003370 0.001328 89 H 6 Y -0.006275 -0.007084 -0.000434 0.006888 -0.000842 90 H 6 Z -0.000573 -0.000303 -0.000326 0.000612 -0.000085 91 C 7 S 0.000361 0.000021 0.000260 -0.000785 -0.000947 92 C 7 S 0.027566 0.029242 -0.055064 -0.007993 0.018262 93 C 7 S -0.019530 -0.000708 -0.046505 -0.014511 0.033988 94 C 7 X 0.030985 -0.051791 0.071493 0.089170 0.047689 95 C 7 Y -0.022125 0.000036 0.042370 -0.073419 -0.024179 96 C 7 Z -0.058682 0.087062 0.013305 0.015113 -0.015316 97 C 7 X 0.031124 0.002379 0.014419 0.044800 0.019955 98 C 7 Y -0.004614 0.009474 0.029264 -0.056202 -0.013391 99 C 7 Z -0.033147 0.031272 0.012041 0.001490 -0.008948 100 C 7 XX -0.007190 0.002925 -0.005957 -0.004857 0.003749 101 C 7 YY 0.006595 -0.000297 0.006172 0.003308 -0.003919 102 C 7 ZZ 0.000595 -0.002628 -0.000215 0.001549 0.000170 103 C 7 XY -0.003217 0.006018 -0.002603 -0.001419 -0.001230 104 C 7 XZ 0.000627 0.003233 0.002411 0.000309 -0.001016 105 C 7 YZ 0.002019 -0.000485 0.002282 -0.001650 0.003161 106 C 8 S 0.000589 0.000023 -0.000225 -0.000564 -0.000626 107 C 8 S 0.003017 0.020417 -0.033142 -0.043802 -0.013563 108 C 8 S -0.000138 0.009033 -0.042458 -0.022383 0.001450 109 C 8 X 0.051892 -0.048681 -0.002164 -0.026466 -0.031217 110 C 8 Y 0.059370 -0.027755 -0.171154 0.032469 0.051477 111 C 8 Z -0.008692 0.077214 0.037075 0.023122 0.121031 112 C 8 X 0.037879 -0.037355 0.000772 -0.001106 -0.019341 113 C 8 Y 0.030415 -0.000890 -0.097512 0.008279 0.029273 114 C 8 Z -0.005105 0.047260 0.021393 0.012944 0.066679 115 C 8 XX 0.002960 -0.003715 0.002713 0.002788 -0.001099 116 C 8 YY -0.003305 0.004520 -0.004281 -0.002926 0.000309 117 C 8 ZZ 0.000345 -0.000805 0.001568 0.000138 0.000790 118 C 8 XY -0.002061 0.003635 -0.001547 -0.007721 -0.004836 119 C 8 XZ 0.000059 0.000248 0.000139 -0.000337 0.002700 120 C 8 YZ 0.000047 -0.000203 -0.000634 -0.001290 0.008436 121 C 9 S -0.001362 0.002096 -0.000573 0.001236 0.000187 122 C 9 S 0.016884 -0.029778 -0.001853 -0.028435 -0.008116 123 C 9 S 0.031510 -0.061696 0.002316 -0.064868 -0.010686 124 C 9 X -0.076182 0.082513 -0.030733 -0.076199 -0.048475 125 C 9 Y -0.037143 0.012999 -0.061929 0.035942 0.054634 126 C 9 Z -0.082491 0.147627 0.036249 0.070601 -0.011692 127 C 9 X -0.057904 0.051940 -0.023410 -0.024446 -0.028436 128 C 9 Y -0.036093 0.002466 -0.033977 0.033143 0.015883 129 C 9 Z -0.039617 0.096841 0.039268 0.040889 -0.000613 130 C 9 XX 0.004968 -0.001869 -0.006476 0.009339 0.007783 131 C 9 YY -0.003733 0.004171 0.010437 -0.006805 -0.006269 132 C 9 ZZ -0.001234 -0.002302 -0.003961 -0.002534 -0.001513 133 C 9 XY -0.007715 0.001391 -0.000588 -0.000925 -0.001207 134 C 9 XZ 0.001258 -0.000458 0.000330 -0.002619 0.002493 135 C 9 YZ 0.002061 0.001609 0.006209 -0.001046 0.003801 136 C 10 S 0.001532 -0.001774 -0.001912 0.000700 0.001510 137 C 10 S -0.049348 -0.003761 0.023441 -0.012506 -0.019269 138 C 10 S -0.083880 -0.001576 0.063584 -0.061583 -0.032719 139 C 10 X 0.078430 0.063783 -0.069797 0.080311 -0.008201 140 C 10 Y -0.073876 0.050287 -0.121484 -0.152928 0.006984 141 C 10 Z -0.044863 0.027382 0.014914 0.024029 -0.009566 142 C 10 X 0.068457 0.053415 -0.034216 0.038246 0.000670 143 C 10 Y 0.022678 0.061843 -0.080306 -0.023249 -0.014501 144 C 10 Z -0.019712 0.010921 -0.000328 0.020086 -0.002716 145 C 10 XX -0.009078 -0.001834 -0.003577 -0.007200 0.005173 146 C 10 YY 0.005822 0.001549 0.004387 0.005689 -0.004970 147 C 10 ZZ 0.003256 0.000285 -0.000810 0.001511 -0.000204 148 C 10 XY 0.003040 0.007158 -0.008959 0.002027 -0.002243 149 C 10 XZ -0.002169 0.003133 0.001749 0.001059 0.000169 150 C 10 YZ 0.000185 0.001773 0.002550 -0.000231 -0.000076 151 C 11 S -0.003992 -0.003039 -0.001240 0.000819 0.001193 152 C 11 S 0.055411 0.040929 -0.013877 -0.006653 -0.020765 153 C 11 S 0.108183 0.088028 -0.015962 0.008049 -0.044469 154 C 11 X -0.062770 -0.066935 0.035612 -0.103812 0.074053 155 C 11 Y 0.024792 -0.069256 0.129843 0.150716 -0.008979 156 C 11 Z -0.042123 0.003795 -0.007579 0.021824 -0.000549 157 C 11 X -0.075660 -0.055261 0.039838 -0.059101 0.041496 158 C 11 Y 0.050347 0.001519 0.019960 0.113393 -0.018994 159 C 11 Z -0.025223 0.001601 -0.003676 0.013882 0.000063 160 C 11 XX -0.000210 -0.000363 -0.009932 -0.007321 0.003006 161 C 11 YY 0.001872 0.002033 0.008076 0.007473 -0.003721 162 C 11 ZZ -0.001662 -0.001671 0.001855 -0.000152 0.000715 163 C 11 XY 0.008054 0.003491 -0.004059 0.008255 -0.003681 164 C 11 XZ -0.002992 -0.000426 -0.003377 0.001375 0.000445 165 C 11 YZ -0.001015 0.001754 0.001954 0.001598 -0.000875 166 C 12 S 0.000271 -0.000009 -0.000750 -0.000099 -0.000239 167 C 12 S -0.033483 -0.028066 0.006168 -0.041099 0.025386 168 C 12 S -0.051738 -0.032501 0.014845 -0.077186 0.046439 169 C 12 X -0.078493 -0.022533 0.031973 -0.077689 -0.011474 170 C 12 Y 0.088011 0.058232 -0.001159 0.082592 -0.061762 171 C 12 Z 0.037519 0.033532 -0.001326 0.041969 -0.034194 172 C 12 X 0.005547 -0.007266 0.002111 -0.004030 0.009661 173 C 12 Y 0.000994 -0.002427 0.006369 0.023563 -0.010336 174 C 12 Z 0.007352 0.001457 -0.000449 0.002251 -0.004611 175 C 12 XX -0.020986 -0.004278 0.004602 -0.018979 -0.000829 176 C 12 YY 0.005086 -0.003367 -0.004372 0.005067 0.007003 177 C 12 ZZ 0.015900 0.007644 -0.000230 0.013912 -0.006174 178 C 12 XY 0.001293 0.001591 -0.007101 -0.001608 0.005381 179 C 12 XZ 0.005808 0.000557 -0.002614 0.002468 0.001569 180 C 12 YZ -0.017908 -0.010138 0.000841 -0.014345 0.008343 181 C 13 S -0.000529 0.001138 -0.001120 -0.001213 -0.000185 182 C 13 S -0.013021 -0.011461 -0.029627 -0.011688 0.034041 183 C 13 S -0.012657 -0.045902 -0.039562 0.004460 0.074286 184 C 13 X -0.027614 -0.026959 -0.059097 -0.019661 0.062716 185 C 13 Y -0.017029 -0.025542 0.025487 -0.035729 0.022697 186 C 13 Z -0.027506 -0.023006 -0.039941 -0.019340 0.047891 187 C 13 X -0.005062 -0.012692 -0.012993 -0.000557 0.025244 188 C 13 Y 0.011270 0.003765 -0.005109 0.000229 -0.000167 189 C 13 Z 0.001303 -0.008695 -0.004822 0.006004 0.012182 190 C 13 XX -0.003676 0.002714 -0.003342 -0.002477 -0.001815 191 C 13 YY -0.003088 -0.005577 -0.004312 -0.000340 0.008752 192 C 13 ZZ 0.006763 0.002863 0.007654 0.002817 -0.006937 193 C 13 XY -0.006993 -0.006021 0.008099 -0.008300 0.002892 194 C 13 XZ -0.005802 -0.005785 -0.009200 -0.004158 0.009998 195 C 13 YZ -0.003931 -0.003111 0.000017 -0.003726 0.004093 196 C 14 S -0.000189 -0.000542 0.000250 -0.000442 0.000669 197 C 14 S 0.015282 0.019890 -0.039579 0.015476 -0.006040 198 C 14 S 0.007166 0.038663 -0.069044 0.025679 -0.020585 199 C 14 X 0.052305 0.070571 -0.043316 0.004666 -0.054607 200 C 14 Y 0.041757 0.052471 -0.106263 0.030200 -0.004146 201 C 14 Z 0.009175 -0.003424 0.024834 -0.008987 -0.006222 202 C 14 X -0.002975 -0.004312 -0.001566 0.009158 -0.000283 203 C 14 Y -0.015707 0.006217 -0.016951 -0.004609 -0.001674 204 C 14 Z -0.002339 -0.001753 0.002326 -0.004078 0.002183 205 C 14 XX 0.010052 0.016011 -0.015685 -0.001317 -0.007605 206 C 14 YY -0.002495 -0.002275 -0.004615 0.003856 0.005253 207 C 14 ZZ -0.007557 -0.013737 0.020300 -0.002539 0.002352 208 C 14 XY 0.009092 0.008205 0.001161 0.004540 -0.008994 209 C 14 XZ -0.003425 0.000033 -0.003503 0.001412 0.000397 210 C 14 YZ -0.012304 -0.005440 0.008349 -0.001893 0.001207 211 F 15 S -0.001602 -0.000946 0.000049 -0.001488 0.000856 212 F 15 S -0.005293 -0.003230 -0.000324 -0.004280 0.002461 213 F 15 S 0.007097 0.003600 -0.002612 0.008346 -0.003811 214 F 15 X 0.192066 0.009837 -0.061067 0.082680 0.020169 215 F 15 Y -0.183302 -0.084892 0.021968 -0.062044 0.069779 216 F 15 Z -0.014807 -0.039708 -0.017266 -0.055896 0.042367 217 F 15 X 0.136474 0.007483 -0.044219 0.059181 0.014576 218 F 15 Y -0.129222 -0.060171 0.012983 -0.045545 0.052154 219 F 15 Z -0.013535 -0.029911 -0.011152 -0.042727 0.031638 220 F 15 XX -0.000033 -0.000632 -0.000263 -0.000844 0.000553 221 F 15 YY -0.000622 -0.000610 -0.000080 -0.001168 0.000551 222 F 15 ZZ 0.000655 0.001242 0.000343 0.002012 -0.001104 223 F 15 XY -0.001045 -0.000257 0.000183 -0.000199 0.000218 224 F 15 XZ -0.003547 -0.000434 0.000887 -0.001581 0.000114 225 F 15 YZ 0.002965 0.001223 -0.000378 0.000718 -0.000848 226 F 16 S -0.001671 -0.000680 0.000192 -0.001105 0.000470 227 F 16 S -0.006102 -0.001117 0.000533 -0.002333 0.001665 228 F 16 S 0.004205 0.005101 -0.001919 0.004225 -0.001686 229 F 16 X 0.107555 0.032925 -0.010324 0.150291 0.023488 230 F 16 Y -0.097216 -0.058041 -0.002923 -0.096895 0.060705 231 F 16 Z 0.024803 -0.031255 -0.019556 -0.045676 0.023883 232 F 16 X 0.075784 0.023275 -0.005787 0.108311 0.016617 233 F 16 Y -0.069595 -0.041974 -0.002157 -0.069883 0.045166 234 F 16 Z 0.017263 -0.021693 -0.014956 -0.034532 0.017652 235 F 16 XX -0.001131 -0.000396 0.000154 -0.000587 0.000536 236 F 16 YY 0.001805 0.000973 0.000079 0.001850 -0.000940 237 F 16 ZZ -0.000674 -0.000577 -0.000233 -0.001263 0.000403 238 F 16 XY -0.001972 -0.000830 -0.000201 -0.002615 0.000132 239 F 16 XZ 0.001493 0.000355 -0.000125 0.001286 0.000063 240 F 16 YZ -0.002560 -0.000588 0.000442 -0.001026 0.000636 241 F 17 S 0.000978 0.000948 -0.001241 0.000324 -0.000386 242 F 17 S 0.005095 0.004264 -0.003045 0.000066 -0.000622 243 F 17 S 0.000192 -0.001141 0.005950 -0.004641 0.003103 244 F 17 X -0.057300 -0.092619 0.075558 0.019516 0.062073 245 F 17 Y -0.049651 -0.078356 0.112623 -0.005439 0.009204 246 F 17 Z -0.055758 0.001845 -0.002284 -0.012396 0.009972 247 F 17 X -0.039831 -0.065260 0.054638 0.015716 0.043853 248 F 17 Y -0.033818 -0.056642 0.082568 -0.004147 0.006869 249 F 17 Z -0.039685 0.001267 -0.001959 -0.009633 0.007253 250 F 17 XX 0.000941 0.000902 -0.001314 0.000181 -0.000236 251 F 17 YY -0.000404 -0.001292 0.001466 0.000251 0.000191 252 F 17 ZZ -0.000537 0.000390 -0.000152 -0.000431 0.000044 253 F 17 XY -0.000338 -0.000798 0.001057 0.000302 0.000367 254 F 17 XZ -0.000825 -0.000954 0.000971 0.000212 0.000481 255 F 17 YZ -0.002045 -0.001516 0.002218 -0.000452 0.000396 256 F 18 S 0.000387 0.000863 -0.001624 0.000187 -0.000040 257 F 18 S 0.000655 0.002312 -0.004726 0.000330 0.000506 258 F 18 S -0.005403 -0.005488 0.007511 -0.002079 0.002663 259 F 18 X -0.070939 -0.123641 0.085718 -0.008090 0.068318 260 F 18 Y -0.121333 -0.065135 0.132807 -0.059233 -0.000221 261 F 18 Z -0.061313 -0.003571 -0.027154 -0.009705 0.012397 262 F 18 X -0.050958 -0.088955 0.061336 -0.005954 0.050196 263 F 18 Y -0.082416 -0.046169 0.097497 -0.041605 -0.001626 264 F 18 Z -0.039788 -0.000719 -0.020782 -0.005652 0.007539 265 F 18 XX -0.000191 0.000052 -0.000735 0.000105 0.000123 266 F 18 YY -0.001118 0.000175 -0.000194 -0.000320 -0.000086 267 F 18 ZZ 0.001309 -0.000227 0.000929 0.000215 -0.000038 268 F 18 XY -0.000888 -0.000791 0.001011 -0.000316 0.000201 269 F 18 XZ 0.000702 0.001967 -0.001858 0.000182 -0.000797 270 F 18 YZ 0.001613 0.001207 -0.002363 0.000817 -0.000046 271 C 19 S 0.001568 -0.000711 -0.002068 0.000344 0.000355 272 C 19 S -0.005674 0.002623 0.005666 -0.002720 -0.001666 273 C 19 S -0.021125 0.009384 0.025328 -0.011963 -0.008316 274 C 19 X 0.001499 -0.049910 0.171328 -0.029637 -0.127249 275 C 19 Y -0.071594 0.036512 0.044466 0.034795 0.008497 276 C 19 Z -0.026215 0.114077 0.100072 0.033759 0.301524 277 C 19 X -0.000007 -0.017315 0.068585 -0.017140 -0.056049 278 C 19 Y -0.025134 0.014362 0.011923 0.017588 0.005732 279 C 19 Z -0.010622 0.048522 0.042235 0.014623 0.137054 280 C 19 XX 0.001597 -0.002620 0.005012 -0.000359 -0.003920 281 C 19 YY 0.002860 -0.001163 -0.005930 -0.001755 -0.000947 282 C 19 ZZ -0.004457 0.003783 0.000919 0.002114 0.004866 283 C 19 XY 0.003823 -0.000122 -0.010737 -0.000154 0.003827 284 C 19 XZ 0.001653 -0.005220 -0.004771 -0.001486 -0.011203 285 C 19 YZ 0.000915 0.001725 0.000743 0.000233 0.010551 286 H 20 S 0.010669 -0.046590 0.143974 -0.029630 -0.106047 287 H 20 S 0.005385 -0.019145 0.049875 -0.004762 -0.035607 288 H 20 X -0.000656 0.002775 -0.009100 0.002104 0.006281 289 H 20 Y -0.001878 0.000198 0.003926 0.000091 -0.002050 290 H 20 Z -0.000809 0.003704 0.002805 0.001102 0.009587 291 H 21 S -0.026748 -0.044278 -0.061049 0.000238 -0.176993 292 H 21 S -0.009944 -0.014962 -0.017866 0.000982 -0.064639 293 H 21 X -0.000089 -0.002476 0.003585 -0.000898 -0.006534 294 H 21 Y -0.000264 0.003952 0.004392 0.000838 0.011615 295 H 21 Z -0.002729 -0.000109 -0.001704 0.001098 -0.003968 296 C 22 S -0.002524 -0.001497 -0.001245 -0.000423 0.000069 297 C 22 S 0.013127 0.005267 0.003584 -0.002025 0.000063 298 C 22 S 0.031107 0.021914 0.010974 0.000326 -0.002225 299 C 22 X -0.017226 0.030214 0.038756 0.158447 -0.095501 300 C 22 Y -0.155068 -0.036759 -0.085149 0.035241 -0.066530 301 C 22 Z -0.005204 -0.005778 -0.050136 -0.006253 0.033753 302 C 22 X -0.009386 0.009255 0.014707 0.067331 -0.040870 303 C 22 Y -0.058429 -0.014184 -0.031793 0.017173 -0.027619 304 C 22 Z -0.002116 -0.002453 -0.021134 -0.002632 0.015048 305 C 22 XX 0.005466 0.001279 0.001764 -0.003335 0.002595 306 C 22 YY -0.007837 -0.004192 -0.005631 -0.004619 0.001946 307 C 22 ZZ 0.002371 0.002913 0.003867 0.007953 -0.004540 308 C 22 XY 0.008656 0.001623 0.005759 -0.000916 0.004194 309 C 22 XZ 0.000471 -0.000058 -0.001750 0.000319 0.001771 310 C 22 YZ -0.000828 -0.000457 -0.001536 -0.000903 0.000618 311 H 23 S 0.114852 0.006633 0.035796 -0.114549 0.100520 312 H 23 S 0.036212 -0.001876 0.014732 -0.036470 0.037037 313 H 23 X 0.007441 0.001760 0.003403 -0.003199 0.003548 314 H 23 Y 0.004235 -0.000483 0.000529 -0.006966 0.005177 315 H 23 Z 0.000124 -0.000160 -0.001425 -0.000390 0.001262 316 H 24 S 0.016783 0.020262 -0.000301 0.073984 -0.018520 317 H 24 S 0.008201 0.006805 0.000069 0.026295 -0.004596 318 H 24 X -0.001996 -0.000339 0.000939 0.000400 -0.001952 319 H 24 Y -0.003578 -0.000542 -0.002042 0.002126 -0.002082 320 H 24 Z -0.001465 -0.001637 -0.001586 -0.006001 0.002407 321 H 25 S 0.012679 0.024345 0.063094 0.077249 -0.067910 322 H 25 S 0.006945 0.008971 0.025983 0.026795 -0.024191 323 H 25 X -0.001651 -0.000401 -0.002430 0.000692 0.000527 324 H 25 Y -0.003779 -0.000669 -0.001719 0.001553 -0.002242 325 H 25 Z 0.001000 0.001720 0.003860 0.006323 -0.004451 326 C 26 S 0.002460 -0.003402 0.000191 -0.001471 -0.000006 327 C 26 S -0.019860 0.022889 -0.000042 0.011960 0.001054 328 C 26 S -0.035082 0.059499 0.007265 0.024852 0.002857 329 C 26 X -0.061674 0.073126 -0.032898 -0.054432 -0.066236 330 C 26 Y -0.016928 -0.059889 -0.130276 0.026478 0.023771 331 C 26 Z 0.090932 -0.136586 0.002681 -0.085093 -0.005689 332 C 26 X -0.020439 0.028299 -0.013419 -0.021835 -0.028152 333 C 26 Y -0.001980 -0.021469 -0.047708 0.006930 0.009992 334 C 26 Z 0.031098 -0.048238 0.005391 -0.027448 -0.001224 335 C 26 XX -0.003602 0.008579 0.004381 0.000739 -0.001734 336 C 26 YY -0.003027 0.002793 -0.002844 0.004903 0.002385 337 C 26 ZZ 0.006629 -0.011372 -0.001538 -0.005642 -0.000650 338 C 26 XY 0.002818 -0.001415 0.003950 0.000412 0.001764 339 C 26 XZ -0.000569 0.000470 -0.000963 -0.001903 -0.000032 340 C 26 YZ 0.002329 -0.001958 0.002048 -0.002900 0.000759 341 H 27 S 0.018574 0.029617 0.093893 0.041788 0.030707 342 H 27 S 0.005974 0.010727 0.036140 0.013414 0.009705 343 H 27 X -0.000754 0.004092 0.006101 0.001948 0.000236 344 H 27 Y 0.000089 0.000080 0.002059 0.004074 0.002704 345 H 27 Z 0.002174 -0.001956 0.002446 -0.001177 0.000403 346 H 28 S -0.052963 0.014494 -0.092702 0.069228 0.027693 347 H 28 S -0.019120 0.002445 -0.033550 0.029276 0.008258 348 H 28 X -0.003026 0.002497 -0.002602 -0.000225 -0.001432 349 H 28 Y 0.004168 -0.003276 0.003704 -0.005360 -0.002198 350 H 28 Z -0.000371 -0.002510 -0.004288 0.001254 0.001126 351 H 29 S -0.074279 0.123775 0.017526 -0.017633 -0.054031 352 H 29 S -0.024126 0.040207 0.009631 -0.004164 -0.016684 353 H 29 X 0.005010 -0.009001 -0.002315 0.000101 0.002914 354 H 29 Y -0.003920 0.003276 -0.003693 0.000468 -0.001390 355 H 29 Z 0.000248 0.000434 0.001076 -0.002434 -0.001508 356 C 30 S -0.000971 0.001760 -0.001822 0.001861 0.000874 357 C 30 S 0.018409 -0.011191 0.012636 -0.011565 -0.003003 358 C 30 S 0.021234 -0.016821 0.038877 -0.026571 -0.011817 359 C 30 X 0.069514 0.059863 -0.036554 -0.127917 0.001476 360 C 30 Y -0.022606 0.112250 0.114022 0.010978 -0.056095 361 C 30 Z 0.100224 -0.072672 0.110341 -0.072771 0.024660 362 C 30 X 0.025493 0.018859 -0.013784 -0.047659 0.001791 363 C 30 Y -0.005525 0.041695 0.042986 0.000068 -0.024559 364 C 30 Z 0.037107 -0.023506 0.037876 -0.027338 0.011611 365 C 30 XX 0.002199 0.002172 0.009259 -0.001001 -0.001453 366 C 30 YY 0.005572 -0.005613 0.001189 -0.003879 0.003349 367 C 30 ZZ -0.007771 0.003441 -0.010448 0.004881 -0.001897 368 C 30 XY 0.002850 0.002802 -0.001429 -0.005097 -0.000008 369 C 30 XZ -0.000111 -0.001404 -0.000770 0.000629 0.000857 370 C 30 YZ -0.003305 0.002913 -0.000978 0.003321 -0.000849 371 H 31 S 0.073357 -0.117629 -0.031033 -0.052628 0.050180 372 H 31 S 0.024792 -0.045048 -0.009383 -0.021689 0.017166 373 H 31 X 0.001710 0.002537 -0.001022 -0.003601 -0.000177 374 H 31 Y 0.005719 -0.007165 0.000840 -0.004058 0.002628 375 H 31 Z -0.001106 0.004043 0.003886 0.000941 -0.001590 376 H 32 S -0.022900 -0.017812 0.110340 0.070929 -0.019903 377 H 32 S -0.001139 -0.008322 0.038272 0.028367 -0.004825 378 H 32 X 0.000896 -0.000421 0.007921 0.002292 -0.001346 379 H 32 Y -0.000513 0.004929 -0.001698 -0.002844 -0.000589 380 H 32 Z 0.002422 -0.001695 -0.000891 -0.003472 0.001196 381 H 33 S 0.067189 0.073137 0.060527 -0.104221 -0.019709 382 H 33 S 0.022788 0.026208 0.022948 -0.033644 -0.002939 383 H 33 X -0.003241 -0.004094 -0.006010 0.004501 0.001813 384 H 33 Y -0.004739 -0.000131 0.000251 0.006476 -0.000323 385 H 33 Z 0.001038 -0.003425 0.000895 0.000289 0.000820 386 H 34 S -0.051338 0.109949 0.060050 0.043375 0.256008 387 H 34 S -0.016957 0.035772 0.024043 0.015123 0.090277 388 H 34 X -0.000973 0.001230 0.006152 0.000273 0.002413 389 H 34 Y 0.000305 -0.003638 -0.002137 -0.001019 -0.010936 390 H 34 Z 0.003668 -0.005984 -0.002392 -0.002819 -0.012519 391 F 35 S -0.000149 -0.000644 -0.000504 0.000037 0.000741 392 F 35 S -0.000175 -0.002364 -0.001342 0.000511 0.002105 393 F 35 S 0.001335 0.001478 0.001544 -0.000007 -0.002059 394 F 35 X 0.034230 0.024518 0.061321 0.018709 -0.061429 395 F 35 Y 0.035137 0.038450 -0.037805 0.041640 -0.023868 396 F 35 Z 0.061055 -0.002654 0.041155 0.027125 -0.029930 397 F 35 X 0.025273 0.018831 0.045087 0.013725 -0.046007 398 F 35 Y 0.022108 0.025810 -0.025254 0.028974 -0.016510 399 F 35 Z 0.042074 0.000014 0.030316 0.018415 -0.024134 400 F 35 XX 0.001037 0.000444 0.001475 0.000606 -0.001284 401 F 35 YY -0.000282 -0.000241 -0.000768 -0.000237 0.000646 402 F 35 ZZ -0.000755 -0.000204 -0.000707 -0.000369 0.000637 403 F 35 XY 0.000461 0.000430 -0.000148 0.000427 -0.000327 404 F 35 XZ 0.000469 -0.000510 -0.000287 -0.000044 0.000507 405 F 35 YZ -0.000233 -0.000254 0.000218 -0.000195 0.000132 406 F 36 S -0.000601 -0.000569 -0.001032 -0.000548 0.001077 407 F 36 S -0.002882 -0.001617 -0.003565 -0.001340 0.002694 408 F 36 S -0.000456 0.002744 0.002862 0.002713 -0.005741 409 F 36 X 0.009483 0.053806 0.053264 0.017103 -0.060410 410 F 36 Y 0.046215 0.036634 -0.039359 0.052106 -0.025443 411 F 36 Z 0.047450 0.027277 0.051349 0.029388 -0.055679 412 F 36 X 0.007561 0.039687 0.039775 0.012604 -0.045729 413 F 36 Y 0.032456 0.027432 -0.028678 0.038783 -0.019250 414 F 36 Z 0.033043 0.020904 0.037209 0.020933 -0.041830 415 F 36 XX -0.000679 -0.000305 -0.000840 -0.000432 0.000760 416 F 36 YY -0.000703 -0.000482 -0.000665 -0.000414 0.000758 417 F 36 ZZ 0.001382 0.000787 0.001505 0.000845 -0.001519 418 F 36 XY -0.000092 -0.000101 -0.000007 -0.000103 0.000094 419 F 36 XZ -0.000053 0.000824 0.000512 0.000151 -0.000586 420 F 36 YZ 0.000626 0.000411 -0.000709 0.000587 -0.000085 421 C 37 S -0.001063 0.001246 0.001063 -0.002495 -0.002983 422 C 37 S -0.007917 -0.003791 0.010067 0.031734 0.019141 423 C 37 S 0.016398 0.001921 -0.022479 0.031055 0.052635 424 C 37 X 0.117179 -0.108141 -0.046282 0.114444 0.072785 425 C 37 Y 0.010778 -0.027984 0.093825 -0.047375 -0.063625 426 C 37 Z -0.011721 0.065913 0.059749 0.019663 0.047637 427 C 37 X 0.035012 -0.041075 -0.008350 0.052144 0.025123 428 C 37 Y -0.003082 0.007784 0.026957 -0.031600 -0.030427 429 C 37 Z -0.005454 0.026788 0.024737 0.005869 0.024228 430 C 37 XX 0.001217 -0.002442 -0.002762 0.009835 0.007896 431 C 37 YY -0.002645 0.002745 0.003157 -0.008940 -0.008946 432 C 37 ZZ 0.001427 -0.000303 -0.000395 -0.000896 0.001049 433 C 37 XY -0.002389 0.002789 -0.006741 -0.001860 0.000460 434 C 37 XZ 0.001266 -0.004485 -0.004358 -0.002647 -0.002873 435 C 37 YZ -0.000700 0.004196 0.003206 -0.001709 0.007059 436 S 38 S -0.000494 0.000521 -0.000355 -0.000845 0.000156 437 S 38 S -0.002957 0.002607 -0.001806 -0.005100 0.000756 438 S 38 S 0.026458 -0.055339 0.049056 0.041279 -0.018090 439 S 38 S 0.061092 -0.099197 0.069412 0.096339 -0.032180 440 S 38 X 0.000736 -0.001022 0.000471 -0.000269 -0.000204 441 S 38 Y -0.000290 0.000780 0.000978 -0.001378 -0.000268 442 S 38 Z 0.000365 -0.000840 -0.000447 -0.000120 -0.000862 443 S 38 X -0.030704 0.041388 -0.028629 0.010362 0.028776 444 S 38 Y 0.015705 -0.038319 -0.019529 0.068883 0.010329 445 S 38 Z -0.024057 0.071240 0.035321 0.013359 0.045623 446 S 38 X -0.014936 0.021397 -0.011852 0.000887 0.006023 447 S 38 Y 0.004405 -0.025202 -0.001815 0.031612 0.002914 448 S 38 Z -0.014506 0.047915 0.027302 0.007964 0.032864 449 S 38 XX -0.005814 0.006528 -0.007336 0.004797 0.003053 450 S 38 YY 0.002649 0.000198 0.004888 -0.010555 -0.002492 451 S 38 ZZ 0.003165 -0.006726 0.002448 0.005758 -0.000561 452 S 38 XY 0.004096 -0.001257 -0.012260 -0.003290 -0.000618 453 S 38 XZ -0.001077 0.007430 0.003599 0.001873 0.009994 454 S 38 YZ 0.004740 -0.008741 -0.002886 -0.002530 0.000435 455 S 38 XX -0.001155 0.001174 -0.001459 0.000801 0.000690 456 S 38 YY 0.000527 0.000023 0.000985 -0.001909 -0.000545 457 S 38 ZZ 0.000627 -0.001197 0.000474 0.001108 -0.000145 458 S 38 XY 0.000578 -0.000108 -0.002103 -0.000778 -0.000012 459 S 38 XZ -0.000170 0.001162 0.000533 0.000275 0.001608 460 S 38 YZ 0.000753 -0.001237 -0.000468 -0.000271 0.000169 461 H 39 S 0.091221 -0.089352 -0.049065 0.127671 0.088710 462 H 39 S 0.031987 -0.031025 -0.016935 0.043130 0.033072 463 H 39 X -0.006244 0.006243 0.003787 -0.009080 -0.006348 464 H 39 Y 0.001931 -0.003103 0.001832 0.001559 -0.000359 465 H 39 Z -0.000315 0.002432 0.001894 0.001109 0.002399 81 82 83 84 85 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S -0.000240 -0.000399 -0.000270 -0.000450 -0.000856 2 C 1 S 0.029226 -0.002655 -0.011691 0.009103 -0.000483 3 C 1 S 0.038149 0.010936 -0.008896 0.019366 0.019941 4 C 1 X 0.078882 -0.056818 -0.026515 0.075353 -0.041094 5 C 1 Y -0.033552 0.038485 0.026232 -0.073512 0.037863 6 C 1 Z 0.032172 0.001741 0.086129 -0.007926 0.005105 7 C 1 X 0.050944 -0.039166 -0.021677 0.042101 -0.027480 8 C 1 Y -0.011301 0.028073 0.013909 -0.046454 0.015786 9 C 1 Z 0.012166 0.004320 0.036393 -0.005591 0.004818 10 C 1 XX 0.001640 -0.000047 0.002008 -0.000407 0.005774 11 C 1 YY -0.000293 0.000083 -0.000074 0.001069 -0.005682 12 C 1 ZZ -0.001347 -0.000036 -0.001933 -0.000662 -0.000092 13 C 1 XY -0.008099 0.000721 0.001062 -0.002785 -0.002247 14 C 1 XZ 0.004639 -0.000056 0.011283 0.000485 -0.000505 15 C 1 YZ -0.000726 0.000974 -0.012544 -0.000208 0.000706 16 C 2 S -0.000722 0.001354 0.000222 -0.001212 -0.000830 17 C 2 S 0.004399 0.002547 0.004928 -0.011521 0.012347 18 C 2 S 0.027568 -0.037743 -0.011164 0.017433 -0.006779 19 C 2 X -0.046386 0.059301 0.024086 -0.072258 0.038565 20 C 2 Y 0.051132 0.032392 -0.002513 -0.034849 -0.021018 21 C 2 Z 0.002761 -0.009460 0.003384 -0.005309 -0.005560 22 C 2 X -0.016234 0.004779 0.002301 -0.020641 0.003802 23 C 2 Y 0.013088 0.002406 0.000741 0.003540 0.006765 24 C 2 Z -0.003697 -0.000573 -0.013265 0.000258 -0.001083 25 C 2 XX -0.002685 0.003418 0.001982 -0.005731 0.002315 26 C 2 YY 0.002520 -0.003008 -0.001165 0.005120 -0.002415 27 C 2 ZZ 0.000166 -0.000410 -0.000817 0.000610 0.000101 28 C 2 XY -0.003685 -0.003812 0.000512 0.003259 0.000584 29 C 2 XZ 0.002600 -0.000296 0.004890 0.001081 0.000349 30 C 2 YZ -0.001303 -0.001777 -0.001181 -0.001708 -0.001125 31 C 3 S 0.000279 -0.001323 0.000037 -0.000533 0.000605 32 C 3 S -0.002972 0.017232 0.001008 -0.001684 0.014370 33 C 3 S 0.021201 0.033189 -0.011930 0.009220 -0.018492 34 C 3 X -0.020935 -0.043690 -0.001826 0.048370 -0.026798 35 C 3 Y -0.074110 -0.000456 0.012344 0.019173 0.046661 36 C 3 Z -0.030384 -0.032299 -0.008230 -0.034198 -0.013074 37 C 3 X 0.010062 0.028592 0.005737 -0.022103 -0.033060 38 C 3 Y -0.016775 -0.006618 -0.002791 0.023688 0.002872 39 C 3 Z -0.017204 -0.015966 -0.002163 -0.019413 -0.005578 40 C 3 XX -0.004408 -0.002014 -0.000358 0.001187 -0.000715 41 C 3 YY 0.004030 0.002407 0.000439 -0.001907 0.002284 42 C 3 ZZ 0.000377 -0.000393 -0.000081 0.000719 -0.001569 43 C 3 XY -0.003433 -0.007949 -0.001113 0.008660 -0.007708 44 C 3 XZ 0.002664 0.001602 -0.001840 0.001999 0.001156 45 C 3 YZ -0.001496 -0.000866 0.000084 -0.003086 -0.000906 46 C 4 S -0.000586 0.000788 0.000673 0.000337 -0.000800 47 C 4 S 0.033222 -0.005999 -0.022486 0.011297 -0.011173 48 C 4 S 0.035736 -0.020776 -0.034528 -0.004597 0.021577 49 C 4 X 0.080460 0.022624 -0.021292 -0.004609 0.019314 50 C 4 Y 0.027720 0.046686 0.013173 -0.054074 -0.002014 51 C 4 Z 0.056882 0.032566 -0.033110 -0.073575 0.002977 52 C 4 X 0.088374 0.040064 -0.026137 0.014297 0.016547 53 C 4 Y 0.013160 0.062719 0.015716 -0.077175 -0.013669 54 C 4 Z 0.044943 0.012196 -0.024362 -0.046938 -0.016940 55 C 4 XX -0.004410 0.001341 0.000858 0.001467 0.004018 56 C 4 YY 0.000065 0.002462 0.001884 -0.000674 -0.001758 57 C 4 ZZ 0.004345 -0.003803 -0.002742 -0.000793 -0.002260 58 C 4 XY -0.002955 -0.002746 -0.000383 0.002720 0.003043 59 C 4 XZ 0.010668 0.006344 -0.001534 0.003721 0.006129 60 C 4 YZ -0.002532 0.008150 -0.000609 -0.003355 0.002053 61 S 5 S 0.001186 -0.000033 -0.000445 0.000555 0.000198 62 S 5 S 0.007007 0.000209 -0.002631 0.003104 0.001021 63 S 5 S -0.068810 0.025725 0.025130 -0.039610 -0.016053 64 S 5 S -0.147379 0.033652 0.054861 -0.081732 -0.036544 65 S 5 X 0.001094 -0.000452 -0.000519 0.000965 0.000584 66 S 5 Y 0.000028 -0.000307 0.000184 -0.000501 -0.000460 67 S 5 Z -0.001847 -0.000179 -0.000315 -0.000217 -0.000225 68 S 5 X -0.035543 0.016725 0.024928 -0.030097 -0.010597 69 S 5 Y -0.016222 0.005708 -0.007343 0.009737 0.004002 70 S 5 Z 0.087309 0.009871 0.030577 -0.000180 0.013746 71 S 5 X -0.016655 0.015246 0.016028 -0.015900 -0.000904 72 S 5 Y -0.013511 0.001056 -0.004776 0.003758 -0.001500 73 S 5 Z 0.063442 0.005211 0.034510 -0.001290 0.007363 74 S 5 XX -0.003314 0.000166 -0.000005 0.000616 0.000787 75 S 5 YY 0.006965 -0.001642 -0.001325 0.001373 -0.000890 76 S 5 ZZ -0.003651 0.001475 0.001330 -0.001990 0.000103 77 S 5 XY -0.002588 0.003098 0.002873 -0.008019 0.001028 78 S 5 XZ -0.007461 -0.000079 0.000478 0.000373 -0.001071 79 S 5 YZ 0.002673 0.002541 -0.008153 -0.000314 0.000778 80 S 5 XX -0.000771 0.000072 0.000111 0.000086 0.000117 81 S 5 YY 0.001527 -0.000327 -0.000317 0.000350 -0.000084 82 S 5 ZZ -0.000756 0.000255 0.000206 -0.000436 -0.000033 83 S 5 XY -0.000653 0.000630 0.000588 -0.001663 -0.000039 84 S 5 XZ -0.001367 -0.000025 0.000305 -0.000059 -0.000256 85 S 5 YZ 0.000809 0.000524 -0.001498 0.000002 0.000246 86 H 6 S -0.005877 -0.055431 -0.008577 0.058474 -0.000243 87 H 6 S -0.015950 -0.024172 -0.000581 0.032462 0.013281 88 H 6 X -0.001266 -0.001572 0.000203 0.001691 0.001663 89 H 6 Y 0.001036 -0.003100 -0.000942 0.003714 -0.000017 90 H 6 Z 0.000235 -0.000586 0.000743 -0.000155 -0.000432 91 C 7 S 0.002004 -0.000452 -0.000534 0.000994 0.000979 92 C 7 S -0.022000 0.006620 -0.001249 -0.008339 -0.018451 93 C 7 S -0.060773 0.012361 0.011955 -0.053288 -0.052017 94 C 7 X 0.029611 0.070740 0.001127 -0.093819 -0.071345 95 C 7 Y 0.011876 -0.033552 -0.007463 -0.044419 -0.101689 96 C 7 Z -0.055394 -0.024959 0.036804 -0.007405 0.005674 97 C 7 X 0.006063 0.014664 -0.001736 -0.048424 -0.084921 98 C 7 Y 0.014920 -0.023158 -0.007189 -0.002137 -0.051672 99 C 7 Z -0.027077 -0.013449 0.024053 -0.008509 0.002638 100 C 7 XX -0.000506 0.004030 -0.000376 0.000777 0.000387 101 C 7 YY 0.000171 -0.002850 0.000345 0.000090 -0.000920 102 C 7 ZZ 0.000335 -0.001180 0.000031 -0.000867 0.000532 103 C 7 XY -0.003167 -0.001513 0.000228 0.008045 0.008464 104 C 7 XZ 0.001552 0.003369 -0.000842 0.002818 0.001229 105 C 7 YZ 0.001683 -0.000304 -0.000872 0.001413 -0.001608 106 C 8 S 0.000879 -0.001385 -0.000364 -0.001297 -0.000486 107 C 8 S -0.002042 -0.029347 -0.001925 -0.019474 -0.004845 108 C 8 S -0.014827 -0.018235 0.000084 -0.024607 0.004598 109 C 8 X 0.027615 -0.047277 -0.006446 -0.099226 -0.025736 110 C 8 Y 0.005425 -0.003492 -0.018234 -0.193962 -0.042228 111 C 8 Z 0.035046 -0.042096 -0.011926 -0.029519 -0.010961 112 C 8 X 0.025691 -0.030008 -0.007930 -0.065984 -0.027314 113 C 8 Y 0.003149 0.001736 -0.011205 -0.094469 -0.031956 114 C 8 Z 0.019849 -0.022894 -0.005812 -0.014774 -0.008081 115 C 8 XX 0.002716 -0.000628 0.000287 -0.005193 0.005334 116 C 8 YY -0.003792 0.002240 0.000346 0.004069 -0.006144 117 C 8 ZZ 0.001076 -0.001611 -0.000633 0.001124 0.000810 118 C 8 XY 0.000675 -0.007008 -0.000181 -0.011736 -0.000151 119 C 8 XZ 0.002631 -0.001965 -0.001081 -0.001717 0.001234 120 C 8 YZ 0.001271 -0.008767 -0.002563 -0.000545 0.001506 121 C 9 S -0.000919 0.001162 0.000414 -0.001267 -0.001618 122 C 9 S 0.014391 -0.048552 0.001575 -0.023077 -0.009036 123 C 9 S 0.031696 -0.087119 -0.008235 0.018061 0.038221 124 C 9 X -0.033117 -0.077239 0.005799 0.026795 0.047720 125 C 9 Y -0.013915 0.029413 -0.013817 -0.045955 0.019604 126 C 9 Z -0.011805 0.112253 0.018002 -0.030362 -0.007876 127 C 9 X -0.064443 -0.065656 0.014230 -0.010741 0.023904 128 C 9 Y -0.014848 0.025781 -0.003670 -0.051027 0.057951 129 C 9 Z -0.011857 0.052084 0.012051 0.004562 0.012644 130 C 9 XX -0.000631 0.007887 -0.000723 -0.002379 0.001388 131 C 9 YY -0.002855 -0.001758 0.001761 0.006906 -0.001597 132 C 9 ZZ 0.003485 -0.006130 -0.001038 -0.004527 0.000209 133 C 9 XY -0.004143 -0.002993 0.001116 0.006843 0.004006 134 C 9 XZ 0.008757 0.005506 -0.003154 0.003570 -0.004374 135 C 9 YZ -0.003108 -0.002236 0.002785 0.006897 -0.003714 136 C 10 S -0.001402 0.001099 0.000503 -0.000217 0.002871 137 C 10 S 0.028825 -0.012206 -0.006825 0.006471 0.002216 138 C 10 S 0.075714 -0.031638 -0.024365 -0.006911 -0.101483 139 C 10 X -0.071155 -0.026320 0.019100 0.085332 0.166372 140 C 10 Y -0.037717 -0.019323 0.001278 0.032456 -0.041892 141 C 10 Z -0.033421 -0.028032 0.029228 -0.050146 -0.035793 142 C 10 X -0.031935 -0.011157 0.008558 0.046168 0.088745 143 C 10 Y -0.021265 -0.032401 -0.002740 0.022164 -0.044855 144 C 10 Z -0.023063 -0.017497 0.019529 -0.027023 -0.012726 145 C 10 XX -0.000522 0.005333 0.000804 -0.002918 -0.002542 146 C 10 YY 0.000892 -0.005937 -0.000661 0.002077 0.001848 147 C 10 ZZ -0.000370 0.000604 -0.000142 0.000841 0.000694 148 C 10 XY -0.005474 -0.004883 0.000695 0.005689 0.002791 149 C 10 XZ -0.003295 0.000041 0.002150 -0.001883 0.001064 150 C 10 YZ 0.001217 0.001837 0.000337 0.001861 -0.000124 151 C 11 S -0.001452 -0.000710 0.000158 0.001645 0.001658 152 C 11 S 0.014561 -0.019675 -0.007796 -0.013716 -0.018975 153 C 11 S 0.038067 -0.006839 -0.007746 -0.060463 -0.081352 154 C 11 X -0.009661 0.082939 0.015659 -0.027801 0.129642 155 C 11 Y 0.024886 0.005749 0.001881 0.002801 0.074515 156 C 11 Z -0.032942 -0.027761 0.011538 -0.049824 -0.015197 157 C 11 X -0.018907 0.055981 0.019714 -0.018848 0.100161 158 C 11 Y -0.014941 -0.023641 0.002351 0.031757 0.060548 159 C 11 Z -0.020262 -0.014101 0.007282 -0.029268 -0.003686 160 C 11 XX -0.006904 -0.002368 0.000628 0.003600 -0.002524 161 C 11 YY 0.007253 0.001779 -0.000834 -0.003934 0.002300 162 C 11 ZZ -0.000348 0.000589 0.000205 0.000334 0.000224 163 C 11 XY -0.003456 -0.006990 -0.000313 0.005532 -0.002462 164 C 11 XZ -0.002596 -0.001717 -0.000584 -0.000959 0.000456 165 C 11 YZ -0.001953 -0.001455 0.002394 -0.001731 -0.000962 166 C 12 S -0.000361 -0.000464 -0.000203 0.000808 -0.000522 167 C 12 S 0.005591 0.030886 0.001570 -0.025372 -0.013120 168 C 12 S 0.011689 0.057852 0.006592 -0.049043 -0.002666 169 C 12 X 0.056150 -0.003853 -0.017015 -0.045371 -0.146442 170 C 12 Y 0.010734 -0.067111 -0.011025 0.037334 -0.032667 171 C 12 Z 0.007787 -0.037221 -0.006786 0.022250 -0.018566 172 C 12 X 0.000856 0.013007 0.000477 -0.004498 -0.000884 173 C 12 Y 0.000536 -0.012418 -0.002857 0.012157 -0.001280 174 C 12 Z 0.002163 -0.002366 -0.001321 0.007325 0.002160 175 C 12 XX 0.007828 0.000360 -0.001713 -0.008540 -0.018968 176 C 12 YY -0.008889 0.005135 0.003522 0.001520 0.015670 177 C 12 ZZ 0.001061 -0.005495 -0.001809 0.007020 0.003299 178 C 12 XY -0.007195 0.003962 0.002210 0.002793 0.011610 179 C 12 XZ -0.003805 0.000324 0.002260 -0.001131 0.004912 180 C 12 YZ 0.000245 0.009408 0.000410 -0.004436 0.002418 181 C 13 S -0.000937 -0.001009 0.000491 0.000241 0.000111 182 C 13 S -0.044666 0.022754 0.016006 0.016285 0.078551 183 C 13 S -0.077388 0.064400 0.025374 0.031234 0.168280 184 C 13 X -0.080879 0.041473 0.026553 0.032139 0.130184 185 C 13 Y 0.025843 0.042322 -0.000848 -0.049828 -0.013514 186 C 13 Z -0.053722 0.035125 0.018408 0.015600 0.088625 187 C 13 X -0.026578 0.022574 0.009208 0.009111 0.057857 188 C 13 Y -0.000483 0.002901 0.000752 -0.002575 0.003072 189 C 13 Z -0.013818 0.009082 0.004583 0.003334 0.028161 190 C 13 XX 0.000690 -0.002643 -0.001019 -0.000706 -0.009944 191 C 13 YY -0.009725 0.006893 0.003678 0.003730 0.021304 192 C 13 ZZ 0.009035 -0.004251 -0.002659 -0.003025 -0.011360 193 C 13 XY 0.006698 0.006563 -0.000797 -0.009045 -0.005611 194 C 13 XZ -0.011049 0.007072 0.003589 0.003778 0.016051 195 C 13 YZ -0.000893 0.004815 0.000799 -0.002572 0.003914 196 C 14 S 0.000739 0.001486 -0.000144 -0.001006 -0.000702 197 C 14 S -0.027886 -0.021160 0.002911 0.028353 -0.001331 198 C 14 S -0.067805 -0.057293 0.012791 0.069487 0.032912 199 C 14 X 0.024652 -0.056938 -0.018385 -0.009734 -0.147888 200 C 14 Y -0.075937 -0.039433 0.011900 0.067671 0.039455 201 C 14 Z 0.026504 0.005048 -0.005754 -0.019168 -0.027945 202 C 14 X -0.009333 -0.005769 0.000695 0.006377 -0.003104 203 C 14 Y -0.019816 -0.012986 0.005475 0.021683 0.016079 204 C 14 Z 0.003410 0.004102 -0.000630 0.001305 0.000237 205 C 14 XX -0.001669 -0.010134 -0.001744 0.003184 -0.014278 206 C 14 YY -0.009214 0.002639 0.003060 0.003771 0.013683 207 C 14 ZZ 0.010883 0.007495 -0.001316 -0.006956 0.000594 208 C 14 XY 0.008759 -0.006343 -0.003354 -0.004140 -0.018788 209 C 14 XZ -0.004040 -0.002103 0.001035 0.001132 0.001616 210 C 14 YZ 0.003782 0.002453 -0.000058 -0.007332 -0.002684 211 F 15 S -0.000064 0.001029 0.000170 -0.000584 0.000298 212 F 15 S -0.000249 0.002808 -0.000137 -0.000135 0.001888 213 F 15 S -0.001802 -0.005881 -0.001594 0.006368 0.001683 214 F 15 X -0.040522 0.020234 0.003934 0.065680 0.138259 215 F 15 Y -0.026354 0.066930 0.017960 -0.040478 0.039915 216 F 15 Z -0.014451 0.041290 0.010330 -0.022986 0.022581 217 F 15 X -0.030042 0.014283 0.002793 0.048748 0.103018 218 F 15 Y -0.021653 0.049510 0.014093 -0.029619 0.032011 219 F 15 Z -0.009154 0.031775 0.007393 -0.017896 0.016479 220 F 15 XX -0.000066 0.000550 0.000079 -0.000307 -0.000020 221 F 15 YY 0.000001 0.000585 0.000078 -0.000461 -0.000004 222 F 15 ZZ 0.000065 -0.001135 -0.000157 0.000767 0.000025 223 F 15 XY -0.000144 0.000177 0.000086 -0.000135 0.000141 224 F 15 XZ 0.000180 0.000074 0.000164 -0.001135 -0.001079 225 F 15 YZ 0.000411 -0.000725 -0.000250 0.000523 -0.000317 226 F 16 S 0.000166 0.000475 0.000010 -0.000571 -0.000497 227 F 16 S 0.000007 0.001552 0.000292 -0.000673 -0.000404 228 F 16 S -0.001518 -0.001737 0.000279 0.004969 0.004320 229 F 16 X -0.069027 0.016400 0.024393 0.030881 0.124059 230 F 16 Y -0.002276 0.067871 0.005014 -0.031948 0.012845 231 F 16 Z 0.001877 0.028214 -0.000437 -0.004696 0.015982 232 F 16 X -0.048814 0.011772 0.017680 0.021434 0.090291 233 F 16 Y -0.002150 0.050418 0.004216 -0.024794 0.010101 234 F 16 Z 0.001273 0.020867 -0.000402 -0.003925 0.011157 235 F 16 XX -0.000097 0.000552 0.000086 -0.000413 -0.000172 236 F 16 YY -0.000105 -0.001021 -0.000014 0.000571 0.000373 237 F 16 ZZ 0.000202 0.000470 -0.000072 -0.000158 -0.000200 238 F 16 XY 0.000579 0.000174 -0.000170 -0.000339 -0.000492 239 F 16 XZ -0.000405 0.000003 0.000138 0.000238 0.000536 240 F 16 YZ -0.000049 0.000631 0.000123 -0.000637 -0.000267 241 F 17 S -0.000603 -0.000714 -0.000012 0.000396 -0.000374 242 F 17 S -0.001596 -0.000694 0.000163 -0.000510 0.000252 243 F 17 S 0.003349 0.006576 0.000335 -0.004245 0.004703 244 F 17 X -0.043884 0.053672 0.024205 -0.008853 0.130889 245 F 17 Y 0.062352 0.033092 -0.007019 -0.064491 -0.021516 246 F 17 Z -0.008940 0.011763 0.003830 0.007961 0.022732 247 F 17 X -0.031426 0.038151 0.017585 -0.006385 0.096181 248 F 17 Y 0.047422 0.025495 -0.005690 -0.048155 -0.016871 249 F 17 Z -0.006560 0.008410 0.002748 0.006798 0.017097 250 F 17 XX -0.000585 -0.000525 0.000050 0.000576 -0.000147 251 F 17 YY 0.000579 0.000346 -0.000042 -0.000651 0.000102 252 F 17 ZZ 0.000006 0.000178 -0.000008 0.000075 0.000046 253 F 17 XY -0.000206 0.000339 0.000149 -0.000421 0.000329 254 F 17 XZ -0.000267 0.000411 0.000175 -0.000289 0.000641 255 F 17 YZ 0.001032 0.000907 -0.000072 -0.000934 0.000150 256 F 18 S -0.001007 -0.000540 0.000158 0.000876 0.000417 257 F 18 S -0.002418 -0.000086 0.000344 0.001944 0.002036 258 F 18 S 0.005197 0.006692 -0.000670 -0.006814 0.000312 259 F 18 X -0.012801 0.080113 0.016636 0.028251 0.144016 260 F 18 Y 0.098489 0.043135 -0.018058 -0.054351 -0.043035 261 F 18 Z -0.030508 -0.000332 0.007368 0.024921 0.030090 262 F 18 X -0.009860 0.059176 0.012445 0.021129 0.108492 263 F 18 Y 0.074403 0.031293 -0.014148 -0.041651 -0.035262 264 F 18 Z -0.022343 -0.001976 0.005183 0.020158 0.021900 265 F 18 XX -0.000651 -0.000155 0.000111 0.000543 0.000254 266 F 18 YY -0.000019 -0.000126 -0.000022 0.000265 -0.000038 267 F 18 ZZ 0.000671 0.000281 -0.000089 -0.000807 -0.000216 268 F 18 XY 0.000459 0.000454 -0.000035 -0.000128 0.000044 269 F 18 XZ -0.000427 -0.001201 -0.000078 -0.000045 -0.001073 270 F 18 YZ -0.001592 -0.000757 0.000269 0.000802 0.000380 271 C 19 S 0.000537 -0.000581 -0.000300 -0.003018 -0.000444 272 C 19 S 0.000572 -0.003864 -0.000537 -0.007905 -0.002614 273 C 19 S -0.005700 -0.002875 0.003743 0.020452 0.008414 274 C 19 X 0.057715 -0.080462 0.014863 -0.041509 0.138542 275 C 19 Y -0.067891 0.130961 0.019374 0.261155 -0.037552 276 C 19 Z 0.083631 -0.166973 -0.053247 0.010571 0.031803 277 C 19 X 0.026104 -0.038420 0.006341 -0.025460 0.065991 278 C 19 Y -0.029193 0.057069 0.007012 0.108103 -0.025711 279 C 19 Z 0.039033 -0.076560 -0.025083 0.003351 0.014073 280 C 19 XX 0.004147 -0.006075 -0.000039 -0.008712 0.007647 281 C 19 YY -0.000233 -0.000174 -0.000219 -0.005940 -0.003703 282 C 19 ZZ -0.003914 0.006249 0.000258 0.014652 -0.003944 283 C 19 XY 0.000514 -0.001749 -0.001346 -0.011107 -0.003925 284 C 19 XZ -0.002776 0.005081 0.001662 -0.001873 -0.000638 285 C 19 YZ 0.003729 -0.008660 -0.002736 -0.003900 0.001686 286 H 20 S 0.064281 -0.097392 0.008261 -0.088295 0.130271 287 H 20 S 0.024100 -0.032688 0.002623 -0.031684 0.049344 288 H 20 X -0.004295 0.006649 -0.000385 0.006389 -0.007952 289 H 20 Y -0.000834 0.001756 0.000715 0.005828 0.001165 290 H 20 Z 0.002491 -0.005065 -0.001665 0.000383 0.000741 291 H 21 S -0.102138 0.197399 0.044618 0.146610 -0.067102 292 H 21 S -0.036389 0.074767 0.017663 0.058191 -0.023702 293 H 21 X 0.000111 0.000513 0.001031 0.000356 0.002901 294 H 21 Y 0.004281 -0.008433 -0.002255 -0.001694 0.002793 295 H 21 Z -0.004997 0.009428 0.001604 0.010870 -0.003746 296 C 22 S 0.000809 -0.000846 -0.000475 0.001390 -0.000536 297 C 22 S 0.000812 0.000095 -0.000531 0.001984 -0.002595 298 C 22 S -0.004608 0.011440 0.004383 -0.015593 -0.000929 299 C 22 X 0.098988 -0.029193 0.015124 0.016615 0.101238 300 C 22 Y 0.124310 -0.070934 -0.070784 0.110774 0.001733 301 C 22 Z 0.121291 -0.025022 0.390563 0.008875 -0.017550 302 C 22 X 0.044383 -0.014369 0.006718 0.010974 0.050164 303 C 22 Y 0.049644 -0.026997 -0.029066 0.041898 0.001888 304 C 22 Z 0.054395 -0.011525 0.181537 0.004346 -0.009206 305 C 22 XX -0.003635 0.002142 0.002547 -0.002911 0.000012 306 C 22 YY 0.000559 -0.001916 -0.002063 0.003775 -0.005698 307 C 22 ZZ 0.003076 -0.000226 -0.000484 -0.000864 0.005687 308 C 22 XY -0.008971 0.004520 0.001880 -0.006725 -0.001122 309 C 22 XZ 0.005847 -0.001197 0.021828 -0.000149 -0.000750 310 C 22 YZ 0.001196 -0.000234 0.001499 0.000531 -0.000655 311 H 23 S -0.143723 0.064332 0.030788 -0.082417 -0.065421 312 H 23 S -0.052433 0.023719 0.012023 -0.032014 -0.026397 313 H 23 X -0.006054 0.003328 0.002373 -0.004824 -0.000995 314 H 23 Y -0.006644 0.002594 0.000129 -0.002853 -0.004610 315 H 23 Z 0.003398 -0.000622 0.012154 0.000027 -0.000664 316 H 24 S 0.120900 -0.023348 0.291543 0.000369 0.042323 317 H 24 S 0.043120 -0.008117 0.113637 -0.002333 0.016780 318 H 24 X -0.003811 0.000313 -0.016660 0.000651 0.000426 319 H 24 Y 0.005008 -0.002117 0.002368 0.002898 0.000901 320 H 24 Z -0.005471 0.001029 -0.010093 0.000188 -0.003606 321 H 25 S -0.049162 0.009000 -0.282047 -0.003769 0.063118 322 H 25 S -0.022950 0.005354 -0.107628 -0.003512 0.024764 323 H 25 X 0.005937 -0.001492 0.015090 0.000887 -0.000368 324 H 25 Y 0.002925 -0.001726 -0.003638 0.002780 0.000720 325 H 25 Z -0.000478 -0.000081 -0.010708 -0.000093 0.004419 326 C 26 S -0.000203 -0.001010 -0.000393 0.001121 0.000121 327 C 26 S 0.001714 0.003046 0.003050 -0.003840 -0.001334 328 C 26 S -0.001717 0.009226 0.009088 -0.005760 0.004662 329 C 26 X -0.135513 -0.170077 0.038995 -0.041283 0.119437 330 C 26 Y 0.033660 -0.005433 -0.050424 -0.163845 0.096906 331 C 26 Z 0.019879 -0.121321 -0.005348 0.047698 -0.019605 332 C 26 X -0.052461 -0.071949 0.017208 -0.017200 0.060468 333 C 26 Y 0.013758 -0.003944 -0.022375 -0.070608 0.041870 334 C 26 Z 0.006900 -0.051593 0.001197 0.016813 -0.005887 335 C 26 XX -0.004507 0.001560 0.002838 0.005063 -0.001150 336 C 26 YY 0.002469 0.008859 -0.002034 -0.004673 0.000454 337 C 26 ZZ 0.002038 -0.010419 -0.000804 -0.000390 0.000696 338 C 26 XY 0.005419 0.006454 -0.000354 0.007283 -0.007859 339 C 26 XZ 0.002797 0.001023 -0.001178 0.001580 -0.000672 340 C 26 YZ -0.001481 -0.004289 0.001244 0.005148 -0.002990 341 H 27 S 0.064527 0.140679 0.006424 0.112018 -0.128177 342 H 27 S 0.024710 0.049800 0.002418 0.040553 -0.049549 343 H 27 X 0.000248 0.004779 0.001793 0.005879 -0.005303 344 H 27 Y 0.005061 0.008819 -0.000961 0.001302 -0.005003 345 H 27 Z 0.001815 0.000157 0.000048 0.004002 -0.003682 346 H 28 S 0.039073 0.076519 -0.040405 -0.140548 0.063456 347 H 28 S 0.016009 0.029163 -0.014445 -0.054217 0.029489 348 H 28 X -0.003619 -0.003861 0.000562 -0.003722 0.004226 349 H 28 Y -0.002355 -0.006156 0.001679 0.006877 -0.002261 350 H 28 Z 0.002512 0.000492 -0.001998 -0.005001 0.002369 351 H 29 S -0.122540 -0.091571 0.048880 0.004070 0.064709 352 H 29 S -0.050558 -0.029846 0.018031 -0.001000 0.021310 353 H 29 X 0.005834 0.002759 -0.003037 -0.001703 -0.001960 354 H 29 Y -0.003243 -0.003453 0.000459 -0.004739 0.005387 355 H 29 Z -0.003436 -0.005273 0.001408 0.001479 0.001368 356 C 30 S 0.001231 0.001224 -0.000123 -0.001355 0.000796 357 C 30 S -0.001641 -0.002657 -0.001975 0.005140 0.000867 358 C 30 S -0.019033 -0.012637 0.003923 0.024529 -0.000574 359 C 30 X 0.206902 0.100715 -0.067319 0.077290 0.142021 360 C 30 Y -0.043377 0.141939 0.038359 -0.104541 0.035671 361 C 30 Z -0.074870 -0.058485 0.034574 0.080453 -0.007034 362 C 30 X 0.083796 0.044590 -0.027335 0.033304 0.073953 363 C 30 Y -0.016500 0.055444 0.013203 -0.044136 0.016732 364 C 30 Z -0.026168 -0.023104 0.014022 0.027101 -0.006165 365 C 30 XX -0.005873 0.004397 0.003597 -0.003647 0.001036 366 C 30 YY -0.000754 -0.005499 0.000042 0.006787 -0.000309 367 C 30 ZZ 0.006627 0.001102 -0.003639 -0.003140 -0.000727 368 C 30 XY 0.010373 0.006369 -0.003990 0.003989 0.008743 369 C 30 XZ 0.002868 0.001482 -0.001379 0.002026 0.002728 370 C 30 YZ -0.000710 0.005109 -0.000008 -0.005074 0.000594 371 H 31 S 0.009843 -0.131737 -0.016954 0.122291 -0.024547 372 H 31 S 0.002376 -0.050161 -0.007375 0.046927 -0.009152 373 H 31 X 0.006408 0.003786 -0.001850 0.001634 0.003933 374 H 31 Y -0.000842 -0.006609 -0.000559 0.007058 -0.000960 375 H 31 Z -0.002246 0.004682 0.001598 -0.003448 0.001005 376 H 32 S -0.191420 -0.030276 0.076033 -0.078888 -0.090602 377 H 32 S -0.068668 -0.007447 0.029205 -0.027573 -0.025885 378 H 32 X -0.008925 0.000957 0.003697 -0.003066 -0.001809 379 H 32 Y 0.007489 0.005669 -0.002162 0.000117 0.004667 380 H 32 Z 0.003534 -0.000735 -0.001293 0.004176 0.002550 381 H 33 S 0.107450 0.128647 -0.023459 0.024394 0.118503 382 H 33 S 0.037465 0.048596 -0.007781 0.008292 0.042373 383 H 33 X -0.001884 -0.006621 -0.000310 0.000626 -0.004487 384 H 33 Y -0.006964 -0.002194 0.002366 -0.004467 -0.004868 385 H 33 Z -0.003937 -0.004407 0.001195 0.001346 -0.003002 386 H 34 S 0.022679 -0.058103 -0.036180 0.122467 -0.022816 387 H 34 S 0.007488 -0.021381 -0.013324 0.048931 -0.005077 388 H 34 X 0.002329 -0.003722 -0.000418 0.000872 0.003294 389 H 34 Y -0.003055 0.006643 0.002160 0.001888 -0.000367 390 H 34 Z 0.000523 -0.000321 0.001380 -0.009912 0.002757 391 F 35 S -0.000762 0.000528 0.000228 0.000412 0.001419 392 F 35 S -0.002038 0.001461 0.000490 0.000922 0.001912 393 F 35 S 0.002190 -0.001345 -0.000666 -0.001614 -0.007217 394 F 35 X 0.080136 -0.039780 -0.026358 -0.030814 -0.127783 395 F 35 Y -0.021842 -0.040161 -0.000663 0.041493 0.004539 396 F 35 Z 0.042512 -0.016176 -0.013713 -0.002066 -0.042916 397 F 35 X 0.059234 -0.030247 -0.019433 -0.022809 -0.095742 398 F 35 Y -0.015524 -0.028439 -0.000364 0.030165 0.003750 399 F 35 Z 0.033323 -0.013899 -0.010941 -0.002806 -0.038260 400 F 35 XX 0.001667 -0.000798 -0.000520 -0.000542 -0.002253 401 F 35 YY -0.000863 0.000401 0.000268 0.000342 0.001270 402 F 35 ZZ -0.000803 0.000397 0.000251 0.000200 0.000983 403 F 35 XY 0.000119 -0.000336 -0.000076 0.000104 -0.000364 404 F 35 XZ -0.000470 0.000428 0.000156 0.000364 0.001060 405 F 35 YZ 0.000027 0.000175 0.000027 -0.000084 0.000114 406 F 36 S -0.001116 0.000896 0.000341 0.000489 0.001884 407 F 36 S -0.003390 0.001428 0.001051 0.000305 0.002376 408 F 36 S 0.004456 -0.006951 -0.001402 -0.004596 -0.016085 409 F 36 X 0.056209 -0.046571 -0.014824 -0.036358 -0.084537 410 F 36 Y -0.030232 -0.045062 0.002093 0.050058 0.013554 411 F 36 Z 0.062085 -0.039329 -0.019907 -0.016883 -0.090396 412 F 36 X 0.043024 -0.035383 -0.011476 -0.027194 -0.066116 413 F 36 Y -0.022738 -0.034152 0.001555 0.038027 0.010410 414 F 36 Z 0.045784 -0.030609 -0.014704 -0.013145 -0.070142 415 F 36 XX -0.000880 0.000535 0.000242 0.000359 0.001204 416 F 36 YY -0.000813 0.000522 0.000263 0.000216 0.001199 417 F 36 ZZ 0.001692 -0.001057 -0.000505 -0.000574 -0.002403 418 F 36 XY 0.000016 0.000128 -0.000010 -0.000040 0.000002 419 F 36 XZ 0.000308 -0.000515 -0.000030 -0.000380 -0.000279 420 F 36 YZ -0.000519 -0.000303 0.000094 0.000487 0.000405 421 C 37 S -0.000224 -0.002993 0.000383 -0.002764 0.001413 422 C 37 S -0.012661 0.025578 0.002886 0.053414 -0.008691 423 C 37 S 0.013896 0.058538 -0.007440 0.070250 -0.052007 424 C 37 X 0.022874 0.070454 -0.010911 -0.063146 -0.073610 425 C 37 Y 0.007902 -0.013805 0.008089 0.079959 0.004063 426 C 37 Z 0.028955 0.020841 0.002560 0.009556 -0.015113 427 C 37 X 0.000113 0.029466 -0.001173 -0.022563 -0.012505 428 C 37 Y -0.006604 -0.012570 0.005953 0.025527 0.009459 429 C 37 Z 0.014976 0.008602 0.002357 0.002140 -0.003249 430 C 37 XX -0.000312 0.007874 -0.000385 -0.002000 -0.003642 431 C 37 YY -0.000104 -0.005795 0.000866 0.002857 0.002215 432 C 37 ZZ 0.000416 -0.002078 -0.000481 -0.000858 0.001427 433 C 37 XY -0.000106 -0.004433 -0.000598 -0.009608 0.000488 434 C 37 XZ -0.000550 -0.002051 -0.000506 -0.000525 0.000763 435 C 37 YZ 0.002000 -0.006793 -0.000662 0.000602 -0.000009 436 S 38 S -0.000344 -0.000085 0.000005 0.000237 -0.000676 437 S 38 S -0.001808 -0.000750 0.000067 0.001606 -0.003642 438 S 38 S 0.028211 -0.008127 0.002832 -0.001320 0.046249 439 S 38 S 0.055774 -0.009853 0.001786 -0.020943 0.090188 440 S 38 X 0.000248 -0.000489 0.000030 -0.000836 0.000471 441 S 38 Y -0.000345 -0.000578 0.000024 -0.000335 -0.001305 442 S 38 Z 0.000096 0.000369 -0.000112 -0.000036 0.000012 443 S 38 X -0.023733 0.038828 0.003143 0.040841 0.004024 444 S 38 Y 0.014159 0.019979 0.003042 0.019140 0.097899 445 S 38 Z -0.019397 -0.026703 0.008206 0.000548 -0.005458 446 S 38 X -0.005147 0.013758 -0.001327 0.022062 -0.009786 447 S 38 Y 0.009372 0.008445 0.002543 0.016897 0.056031 448 S 38 Z -0.014827 -0.018386 0.002836 0.001929 -0.003696 449 S 38 XX -0.003885 0.005228 0.000986 0.014087 0.012092 450 S 38 YY 0.000399 -0.004646 -0.000900 -0.012299 -0.020487 451 S 38 ZZ 0.003486 -0.000582 -0.000086 -0.001788 0.008395 452 S 38 XY -0.000726 -0.005150 -0.001365 -0.007626 -0.002387 453 S 38 XZ 0.001952 -0.003099 -0.000857 -0.000278 -0.000835 454 S 38 YZ 0.004853 0.001496 -0.003860 -0.000039 -0.000237 455 S 38 XX -0.000752 0.001108 0.000202 0.002520 0.002363 456 S 38 YY 0.000073 -0.001011 -0.000183 -0.002278 -0.003873 457 S 38 ZZ 0.000679 -0.000097 -0.000019 -0.000241 0.001511 458 S 38 XY -0.000174 -0.000678 -0.000229 -0.001077 -0.000750 459 S 38 XZ 0.000348 -0.000433 -0.000147 -0.000025 -0.000161 460 S 38 YZ 0.000750 0.000245 -0.000629 -0.000059 -0.000052 461 H 39 S 0.009046 0.084423 -0.009065 -0.031739 -0.070434 462 H 39 S 0.002533 0.031536 -0.002611 -0.016025 -0.026290 463 H 39 X -0.000059 -0.005856 0.000561 0.001289 0.004539 464 H 39 Y 0.000445 0.000813 0.000063 0.002109 -0.001014 465 H 39 Z 0.001352 0.000717 -0.000050 0.000117 -0.000647 86 87 88 89 90 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S -0.000063 -0.000185 0.000294 -0.000965 -0.000828 2 C 1 S -0.003952 -0.004793 -0.006080 -0.008176 -0.000333 3 C 1 S -0.022482 -0.023473 -0.003145 0.025895 0.030786 4 C 1 X -0.110124 -0.136461 0.074670 -0.017432 0.008190 5 C 1 Y 0.092225 0.118614 -0.103803 0.008265 0.026926 6 C 1 Z 0.013048 0.013060 -0.016127 0.001274 0.007789 7 C 1 X -0.037648 -0.062188 0.036922 -0.033139 -0.013453 8 C 1 Y 0.044462 0.071258 -0.065273 -0.008965 0.015676 9 C 1 Z 0.005982 0.006955 -0.009207 0.002536 0.001956 10 C 1 XX 0.010007 0.011901 -0.003010 0.003430 0.000727 11 C 1 YY -0.012456 -0.013105 0.004357 -0.003014 0.000291 12 C 1 ZZ 0.002449 0.001205 -0.001346 -0.000416 -0.001018 13 C 1 XY -0.001226 0.002675 -0.004174 0.003025 0.002625 14 C 1 XZ -0.001127 -0.000708 0.000187 -0.000378 0.000477 15 C 1 YZ 0.000436 -0.002232 -0.002391 -0.000940 0.002127 16 C 2 S -0.002332 -0.001134 -0.001660 -0.000211 0.001053 17 C 2 S 0.021035 0.018450 -0.010460 -0.011661 0.002475 18 C 2 S 0.063658 0.031405 0.008087 -0.047043 -0.045398 19 C 2 X 0.091851 0.108235 -0.078767 0.008445 -0.004477 20 C 2 Y -0.089375 -0.147005 -0.013457 -0.082728 0.002533 21 C 2 Z -0.006400 -0.018731 -0.003283 -0.004816 0.006477 22 C 2 X 0.041059 0.043256 -0.035262 -0.025829 -0.023438 23 C 2 Y -0.029859 -0.063036 0.003336 -0.013816 -0.001518 24 C 2 Z -0.002203 -0.006935 -0.001898 0.000413 0.000561 25 C 2 XX 0.010553 0.013032 -0.008445 -0.000432 -0.000068 26 C 2 YY -0.011209 -0.012905 0.009279 -0.000100 -0.000377 27 C 2 ZZ 0.000656 -0.000127 -0.000834 0.000532 0.000445 28 C 2 XY 0.001736 0.004857 0.004884 0.005436 0.000533 29 C 2 XZ -0.000576 -0.000607 0.000674 0.000915 0.000017 30 C 2 YZ -0.000226 -0.001960 -0.000863 -0.001019 0.001616 31 C 3 S 0.000654 0.000885 0.000653 -0.001520 0.000177 32 C 3 S -0.032059 -0.037506 0.034918 0.027956 0.005175 33 C 3 S -0.038777 -0.049911 0.002839 -0.084447 -0.039716 34 C 3 X -0.067895 -0.069544 0.137242 0.023806 -0.020584 35 C 3 Y 0.084458 0.140095 0.034154 0.116915 -0.000204 36 C 3 Z 0.010387 -0.012489 -0.015843 -0.004563 0.034187 37 C 3 X -0.043853 -0.018250 0.068557 0.039251 0.012949 38 C 3 Y 0.068682 0.079761 0.007485 0.022683 -0.035984 39 C 3 Z 0.002356 0.001633 -0.000712 0.005415 0.003648 40 C 3 XX 0.003124 0.012712 -0.000922 0.004027 -0.003196 41 C 3 YY -0.003960 -0.011439 0.004575 -0.003154 -0.000098 42 C 3 ZZ 0.000837 -0.001273 -0.003653 -0.000873 0.003294 43 C 3 XY -0.008605 0.000604 0.009840 0.005089 -0.006306 44 C 3 XZ -0.000890 0.000174 0.000075 -0.002251 0.004454 45 C 3 YZ -0.000044 -0.000568 -0.000200 -0.001664 0.003313 46 C 4 S 0.000744 -0.001342 -0.001282 -0.000614 0.000478 47 C 4 S -0.014900 0.030642 0.017807 -0.014881 -0.012575 48 C 4 S -0.051726 0.056070 0.050093 0.001832 -0.001905 49 C 4 X 0.018338 0.002133 -0.054706 -0.044171 0.021978 50 C 4 Y -0.002944 0.007906 -0.096510 -0.056332 -0.060140 51 C 4 Z 0.025084 -0.045593 -0.114856 -0.107191 0.218077 52 C 4 X 0.014934 0.008818 -0.031438 -0.023736 0.008529 53 C 4 Y -0.034289 0.031364 -0.040350 -0.040999 -0.021517 54 C 4 Z 0.033184 -0.031433 -0.093085 -0.089057 0.148208 55 C 4 XX 0.002016 0.003927 0.008088 0.007618 -0.000890 56 C 4 YY -0.002246 -0.006174 0.002140 0.003951 -0.008828 57 C 4 ZZ 0.000230 0.002247 -0.010227 -0.011569 0.009717 58 C 4 XY -0.003574 -0.003914 0.006754 0.008296 0.004517 59 C 4 XZ 0.002541 -0.004836 0.006479 0.001088 -0.001248 60 C 4 YZ -0.005359 0.002649 0.011659 -0.000375 0.013591 61 S 5 S -0.000051 0.000178 -0.000097 0.000092 0.000289 62 S 5 S -0.000844 0.001121 -0.000910 0.000720 0.002011 63 S 5 S -0.025702 -0.002786 -0.013286 0.005628 0.000125 64 S 5 S -0.038173 -0.015579 -0.012194 0.003740 -0.004817 65 S 5 X 0.000555 0.000587 0.000217 0.000360 -0.000310 66 S 5 Y -0.000288 -0.000067 -0.001155 0.000065 0.000953 67 S 5 Z -0.000280 0.000164 0.000745 0.000020 -0.000622 68 S 5 X -0.020394 -0.049952 -0.015685 -0.014139 0.003240 69 S 5 Y 0.008326 0.016162 0.040785 0.004950 -0.034460 70 S 5 Z 0.011351 -0.012808 -0.042052 -0.012629 0.052464 71 S 5 X -0.012143 -0.031082 -0.012510 -0.004360 0.004030 72 S 5 Y 0.005406 0.005715 0.030607 -0.008474 -0.025481 73 S 5 Z 0.003854 -0.008425 -0.031975 -0.004354 0.036543 74 S 5 XX 0.003488 0.011978 0.004763 0.005031 -0.002921 75 S 5 YY -0.005298 -0.005252 -0.001984 -0.002379 0.000164 76 S 5 ZZ 0.001810 -0.006726 -0.002779 -0.002652 0.002756 77 S 5 XY 0.002819 -0.000592 -0.013616 -0.000402 0.008156 78 S 5 XZ -0.001777 -0.000665 0.003398 0.002154 -0.007024 79 S 5 YZ -0.001038 0.000451 -0.000009 -0.001183 0.003366 80 S 5 XX 0.000352 0.001524 0.000800 0.000934 -0.000504 81 S 5 YY -0.000745 -0.000457 -0.000317 -0.000394 0.000043 82 S 5 ZZ 0.000394 -0.001067 -0.000484 -0.000540 0.000461 83 S 5 XY 0.000287 -0.000281 -0.002458 -0.000363 0.001448 84 S 5 XZ -0.000465 0.000078 0.000567 0.000417 -0.001108 85 S 5 YZ -0.000000 0.000016 -0.000089 -0.000303 0.000579 86 H 6 S 0.018593 0.045861 0.052756 0.045638 0.002194 87 H 6 S 0.000488 0.012616 0.022975 0.039596 0.007014 88 H 6 X 0.003941 0.005761 0.000486 0.003784 0.000913 89 H 6 Y -0.000845 -0.000145 0.003150 0.001424 0.000326 90 H 6 Z -0.000148 -0.000274 0.000214 -0.000204 -0.000095 91 C 7 S -0.000659 -0.000041 -0.001343 -0.000879 0.001093 92 C 7 S 0.064296 -0.024282 0.043463 -0.017169 -0.009073 93 C 7 S 0.086550 -0.032020 0.103897 0.104532 0.026890 94 C 7 X 0.113880 -0.111876 0.081433 -0.010539 -0.042038 95 C 7 Y 0.098645 0.047269 0.139873 0.089709 0.087296 96 C 7 Z 0.020999 -0.031478 -0.032100 0.068103 -0.056230 97 C 7 X 0.076656 -0.064139 0.032129 -0.031489 -0.040903 98 C 7 Y 0.089969 0.031475 0.083562 -0.011792 0.056048 99 C 7 Z 0.009046 -0.013058 -0.013279 0.043819 -0.021936 100 C 7 XX -0.002664 -0.002019 -0.012982 0.002475 -0.004103 101 C 7 YY 0.008114 -0.001440 0.015306 -0.000967 0.003020 102 C 7 ZZ -0.005449 0.003459 -0.002324 -0.001508 0.001083 103 C 7 XY -0.003350 -0.001436 -0.000979 0.005045 0.006002 104 C 7 XZ -0.000283 0.000124 0.000475 -0.000375 -0.002288 105 C 7 YZ 0.001781 -0.000642 0.000234 0.000189 -0.001170 106 C 8 S 0.000008 0.000094 0.000251 0.000540 0.000701 107 C 8 S 0.011730 0.013197 0.011624 0.000891 0.007197 108 C 8 S 0.016281 0.001212 0.018299 0.009023 0.003346 109 C 8 X 0.041999 0.027990 0.055023 -0.035048 0.056237 110 C 8 Y 0.104191 -0.080643 0.031609 0.119203 0.057734 111 C 8 Z 0.026208 -0.029454 -0.003785 0.047190 -0.030264 112 C 8 X 0.018214 0.013707 0.041823 0.002391 0.042505 113 C 8 Y 0.059890 -0.035624 0.019295 0.050584 0.033147 114 C 8 Z 0.015942 -0.018327 -0.004564 0.027517 -0.019022 115 C 8 XX -0.001677 -0.009034 -0.006140 0.003620 -0.006853 116 C 8 YY 0.004767 0.005377 0.005433 -0.000004 0.006023 117 C 8 ZZ -0.003089 0.003657 0.000707 -0.003616 0.000830 118 C 8 XY 0.007708 -0.004384 0.003440 0.013192 0.008804 119 C 8 XZ -0.001357 0.000764 0.000122 -0.001417 0.002502 120 C 8 YZ -0.002504 0.005360 0.002816 -0.003538 0.006905 121 C 9 S 0.000036 -0.000131 0.001599 0.001955 0.000540 122 C 9 S -0.003634 -0.006140 -0.037245 0.006779 0.002658 123 C 9 S 0.009438 -0.008944 -0.077451 -0.037884 0.010589 124 C 9 X -0.030721 0.035439 -0.051115 0.115756 0.080475 125 C 9 Y 0.030232 -0.069666 -0.012432 0.064515 0.104985 126 C 9 Z 0.057883 -0.100013 -0.053606 0.082361 -0.178168 127 C 9 X -0.009476 0.005470 -0.029896 0.069667 0.029434 128 C 9 Y -0.032582 -0.014595 0.013096 0.047217 0.040143 129 C 9 Z 0.043497 -0.074052 -0.037334 0.054347 -0.123324 130 C 9 XX 0.004552 -0.011150 -0.002768 0.000229 -0.001908 131 C 9 YY -0.000225 0.003673 0.005086 0.007218 -0.005333 132 C 9 ZZ -0.004326 0.007478 -0.002318 -0.007447 0.007241 133 C 9 XY -0.008764 0.003683 -0.010713 0.011800 0.006291 134 C 9 XZ -0.007094 0.006869 -0.009533 0.009043 0.006407 135 C 9 YZ 0.008248 -0.009597 -0.001834 0.002670 0.015118 136 C 10 S 0.000325 0.000595 -0.000284 -0.002647 -0.001503 137 C 10 S -0.037699 -0.012196 -0.013912 0.019091 0.007945 138 C 10 S -0.014139 0.002354 0.009407 0.082826 0.039786 139 C 10 X -0.048091 -0.025897 -0.047830 -0.062478 0.006836 140 C 10 Y -0.058213 0.116958 -0.121450 0.034789 -0.049385 141 C 10 Z 0.030941 -0.026046 -0.003973 0.059115 -0.023089 142 C 10 X 0.042986 -0.020814 -0.043829 -0.224800 -0.051736 143 C 10 Y -0.043134 0.040145 -0.073802 -0.009290 -0.046486 144 C 10 Z 0.006865 -0.012977 -0.003136 0.045838 -0.013789 145 C 10 XX -0.000751 0.000372 -0.010353 -0.001644 -0.009287 146 C 10 YY 0.002078 -0.000943 0.011127 0.004175 0.007495 147 C 10 ZZ -0.001327 0.000572 -0.000774 -0.002532 0.001792 148 C 10 XY -0.003566 0.000810 -0.001314 -0.010192 -0.004315 149 C 10 XZ 0.003190 -0.001861 0.000041 0.000399 -0.002667 150 C 10 YZ -0.000039 -0.001398 0.000585 0.003826 -0.001832 151 C 11 S -0.000711 -0.000613 -0.000284 0.002073 -0.000125 152 C 11 S 0.032324 0.026990 -0.000637 -0.019866 -0.002274 153 C 11 S 0.008467 0.023722 -0.004581 -0.097176 -0.026917 154 C 11 X 0.075468 0.029697 -0.039212 0.069735 0.065808 155 C 11 Y 0.012329 -0.119397 0.123339 0.021315 0.073714 156 C 11 Z 0.024219 -0.013365 -0.013700 0.011931 0.001530 157 C 11 X -0.009459 0.008063 0.020808 0.230023 0.126260 158 C 11 Y -0.019040 -0.073168 0.046234 0.014627 0.036927 159 C 11 Z 0.013049 -0.011767 -0.006783 0.006767 0.008279 160 C 11 XX -0.000656 0.010589 0.000261 0.006466 -0.004626 161 C 11 YY 0.000291 -0.011010 0.000683 -0.009215 0.001828 162 C 11 ZZ 0.000365 0.000421 -0.000944 0.002749 0.002798 163 C 11 XY -0.003674 0.003210 0.000970 -0.009039 -0.007420 164 C 11 XZ -0.000752 0.000545 -0.000761 0.001462 0.002632 165 C 11 YZ 0.001259 -0.001503 0.000894 0.003559 -0.002111 166 C 12 S -0.001886 0.000765 0.000610 0.006830 0.002608 167 C 12 S 0.026560 0.012372 -0.016008 -0.023985 -0.021566 168 C 12 S 0.101746 0.015092 -0.049419 -0.233445 -0.102848 169 C 12 X -0.015062 0.035426 0.001755 0.129253 -0.004859 170 C 12 Y -0.062388 -0.010261 0.034132 0.108953 0.040394 171 C 12 Z -0.034347 -0.003903 0.017774 0.058904 0.022579 172 C 12 X 0.016263 -0.001009 -0.005362 -0.023372 -0.015690 173 C 12 Y -0.029890 -0.007930 0.015778 0.080714 0.031079 174 C 12 Z -0.007666 -0.002942 0.004416 0.025491 0.016789 175 C 12 XX 0.000549 0.007247 -0.003867 0.003804 -0.005140 176 C 12 YY 0.004460 -0.005518 0.000724 -0.003848 0.001887 177 C 12 ZZ -0.005009 -0.001729 0.003143 0.000044 0.003253 178 C 12 XY 0.003211 0.002572 -0.007375 -0.014078 -0.005066 179 C 12 XZ 0.003696 -0.002035 -0.001521 -0.005649 -0.002786 180 C 12 YZ 0.006765 0.003188 -0.004154 -0.013356 -0.004349 181 C 13 S -0.000081 0.000702 -0.001218 0.001829 0.000015 182 C 13 S 0.008244 -0.001483 -0.020935 0.006616 0.015238 183 C 13 S 0.020519 -0.017999 -0.026804 -0.016358 0.032397 184 C 13 X 0.007757 -0.002787 -0.028843 0.020317 0.026896 185 C 13 Y 0.076409 0.003446 -0.024306 -0.231646 -0.090127 186 C 13 Z 0.015810 -0.002005 -0.022285 -0.017966 0.007077 187 C 13 X 0.006593 -0.006349 -0.008433 -0.003041 0.013849 188 C 13 Y 0.008084 -0.001552 -0.004106 -0.044366 -0.013563 189 C 13 Z 0.003834 -0.004978 -0.002907 -0.006678 0.001961 190 C 13 XX -0.002439 0.002272 0.001110 0.002076 -0.003242 191 C 13 YY 0.003000 -0.002655 -0.002784 -0.000063 0.005210 192 C 13 ZZ -0.000561 0.000383 0.001674 -0.002013 -0.001967 193 C 13 XY 0.009670 0.000467 -0.002143 -0.021056 -0.008744 194 C 13 XZ 0.001872 -0.000122 -0.003951 -0.000493 0.001846 195 C 13 YZ 0.005382 -0.000054 -0.002355 -0.013743 -0.004313 196 C 14 S 0.001499 -0.000145 -0.001405 -0.008329 -0.003447 197 C 14 S -0.031806 0.011451 -0.006568 0.024663 -0.006207 198 C 14 S -0.099635 0.016487 0.018220 0.262199 0.084821 199 C 14 X -0.016094 0.042522 -0.015689 -0.137924 -0.111423 200 C 14 Y -0.064584 0.013186 -0.008652 0.106410 0.030711 201 C 14 Z 0.015696 0.001056 -0.000210 -0.045564 -0.021076 202 C 14 X -0.009748 0.006075 0.004517 0.009255 -0.009316 203 C 14 Y -0.032505 0.003475 0.004014 0.102520 0.037853 204 C 14 Z 0.003510 0.000436 -0.002747 -0.007459 -0.004828 205 C 14 XX -0.006709 0.008122 -0.005525 0.001747 -0.005495 206 C 14 YY -0.000422 -0.004648 0.001958 0.004951 0.005200 207 C 14 ZZ 0.007131 -0.003474 0.003567 -0.006697 0.000295 208 C 14 XY 0.001218 0.000308 0.002985 -0.018263 -0.009809 209 C 14 XZ -0.001807 -0.000268 -0.000617 0.007560 0.002258 210 C 14 YZ 0.006366 -0.002071 0.000437 -0.009912 -0.003209 211 F 15 S 0.000954 0.000059 -0.000557 -0.001337 -0.000515 212 F 15 S 0.000922 -0.000191 0.000108 -0.002009 0.000502 213 F 15 S -0.009810 -0.001364 0.006564 0.014382 0.007339 214 F 15 X 0.006438 -0.020248 0.002681 -0.097116 0.010144 215 F 15 Y 0.054429 -0.006694 -0.018946 -0.064271 -0.021853 216 F 15 Z 0.036845 0.005480 -0.022420 -0.044430 -0.022001 217 F 15 X 0.004250 -0.014537 0.002328 -0.073217 0.009074 218 F 15 Y 0.042481 -0.004709 -0.014881 -0.053688 -0.018225 219 F 15 Z 0.029664 0.004560 -0.018085 -0.040612 -0.018798 220 F 15 XX 0.000390 0.000206 -0.000296 -0.000150 -0.000248 221 F 15 YY 0.000507 0.000156 -0.000324 -0.000525 -0.000307 222 F 15 ZZ -0.000897 -0.000362 0.000620 0.000675 0.000555 223 F 15 XY 0.000144 -0.000013 -0.000078 -0.000084 -0.000057 224 F 15 XZ 0.000416 0.000125 -0.000299 -0.000090 -0.000392 225 F 15 YZ -0.000478 0.000151 0.000066 0.000051 0.000051 226 F 16 S 0.000335 0.000228 -0.000405 -0.000587 -0.000714 227 F 16 S 0.001205 -0.002490 0.000983 0.001727 -0.000665 228 F 16 S -0.001250 -0.005586 0.005468 0.008499 0.006810 229 F 16 X 0.031547 -0.064339 0.015941 -0.075937 -0.005017 230 F 16 Y 0.050019 0.018642 -0.034552 -0.086372 -0.038542 231 F 16 Z 0.014018 0.002859 -0.004292 -0.026800 -0.002443 232 F 16 X 0.023648 -0.048189 0.012469 -0.057477 -0.003465 233 F 16 Y 0.038763 0.013176 -0.027351 -0.071755 -0.032914 234 F 16 Z 0.011331 0.003530 -0.004161 -0.025040 -0.004224 235 F 16 XX 0.000490 0.000188 -0.000243 -0.000278 -0.000305 236 F 16 YY -0.000622 -0.000395 0.000404 0.000424 0.000428 237 F 16 ZZ 0.000132 0.000207 -0.000161 -0.000146 -0.000124 238 F 16 XY -0.000080 0.000889 -0.000594 -0.000646 -0.000074 239 F 16 XZ 0.000109 -0.000494 0.000234 0.000125 -0.000005 240 F 16 YZ 0.000608 0.000236 -0.000452 -0.000470 -0.000480 241 F 17 S -0.000561 0.000420 -0.000008 0.000542 -0.000054 242 F 17 S 0.000454 -0.000680 0.000570 -0.000932 0.000407 243 F 17 S 0.006284 -0.005271 0.000150 -0.006781 0.001639 244 F 17 X 0.019060 -0.046414 0.023795 0.093959 0.074582 245 F 17 Y 0.059442 -0.022910 0.015289 -0.078514 -0.018150 246 F 17 Z 0.000854 -0.007984 0.004322 0.008413 0.010773 247 F 17 X 0.013512 -0.035610 0.018339 0.072391 0.058034 248 F 17 Y 0.046240 -0.017499 0.010364 -0.067376 -0.016842 249 F 17 Z -0.000819 -0.005601 0.003173 0.010101 0.009460 250 F 17 XX -0.000653 0.000317 -0.000267 0.000431 -0.000088 251 F 17 YY 0.000603 -0.000316 0.000253 -0.000277 0.000091 252 F 17 ZZ 0.000050 -0.000002 0.000014 -0.000154 -0.000003 253 F 17 XY 0.000248 -0.000308 0.000205 -0.000300 -0.000140 254 F 17 XZ 0.000227 -0.000357 0.000205 0.000016 0.000081 255 F 17 YZ 0.000973 -0.000505 0.000323 -0.000782 0.000038 256 F 18 S -0.000662 0.000319 -0.000261 0.001479 0.000325 257 F 18 S -0.000547 0.000023 0.000654 0.000971 0.001009 258 F 18 S 0.007745 -0.003516 0.003339 -0.017956 -0.002638 259 F 18 X 0.009199 -0.037338 0.024876 0.087146 0.072208 260 F 18 Y 0.044928 -0.004924 0.006735 -0.073286 -0.021483 261 F 18 Z -0.019251 0.004338 -0.008306 0.042606 0.013467 262 F 18 X 0.006434 -0.028899 0.018666 0.066669 0.056348 263 F 18 Y 0.035213 -0.003179 0.005189 -0.063773 -0.019713 264 F 18 Z -0.016399 0.003677 -0.005596 0.037169 0.011893 265 F 18 XX -0.000436 0.000166 -0.000167 0.000244 -0.000136 266 F 18 YY -0.000295 0.000148 -0.000094 0.000413 0.000073 267 F 18 ZZ 0.000731 -0.000313 0.000261 -0.000657 0.000063 268 F 18 XY 0.000192 -0.000077 0.000139 -0.000359 -0.000154 269 F 18 XZ -0.000373 0.000393 -0.000378 0.000387 -0.000043 270 F 18 YZ -0.000635 0.000170 -0.000172 0.000636 0.000035 271 C 19 S 0.000726 -0.000530 0.000417 0.000259 0.000144 272 C 19 S 0.008758 -0.003100 0.006490 0.013019 0.012911 273 C 19 S -0.000183 0.002053 -0.003731 0.010578 0.009594 274 C 19 X -0.102788 -0.072019 -0.134976 0.017630 -0.051379 275 C 19 Y -0.053841 0.085124 0.017261 -0.101466 -0.061055 276 C 19 Z -0.058795 0.059914 0.012497 -0.050997 0.026400 277 C 19 X -0.045071 -0.038261 -0.066427 0.012997 -0.024695 278 C 19 Y -0.018949 0.040003 0.016557 -0.046272 -0.025449 279 C 19 Z -0.027800 0.030040 0.007604 -0.026655 0.015451 280 C 19 XX -0.003735 -0.007612 -0.008004 0.006590 -0.001718 281 C 19 YY 0.005273 0.000910 0.004115 -0.000336 0.002609 282 C 19 ZZ -0.001537 0.006702 0.003889 -0.006254 -0.000892 283 C 19 XY 0.006880 -0.002215 0.003959 0.005303 0.003623 284 C 19 XZ 0.001825 -0.002040 -0.000402 0.001611 0.000324 285 C 19 YZ -0.001994 0.003105 0.001523 -0.002991 0.004449 286 H 20 S -0.078829 -0.084578 -0.123951 0.044364 -0.030510 287 H 20 S -0.031615 -0.036348 -0.050770 0.020881 -0.016165 288 H 20 X 0.004176 0.005393 0.007249 -0.003085 0.001151 289 H 20 Y -0.002956 0.001469 -0.001386 -0.002455 -0.001903 290 H 20 Z -0.001659 0.002021 0.000651 -0.001648 0.000894 291 H 21 S 0.029891 0.018772 0.026478 -0.021122 -0.041137 292 H 21 S 0.008497 0.008725 0.007837 -0.014538 -0.022107 293 H 21 X -0.002196 -0.001984 -0.003233 0.000550 -0.001808 294 H 21 Y -0.002933 0.001235 -0.000899 -0.001563 0.000739 295 H 21 Z 0.000287 0.003174 0.002309 -0.003092 -0.001858 296 C 22 S -0.000985 -0.001648 0.001036 0.000162 -0.000142 297 C 22 S -0.008482 -0.013356 0.009300 -0.003284 -0.002786 298 C 22 S -0.004302 0.006179 -0.006089 -0.010913 -0.001212 299 C 22 X 0.211668 0.233888 -0.038993 0.034259 -0.007520 300 C 22 Y -0.025819 -0.054349 0.098787 -0.005101 -0.023531 301 C 22 Z -0.031700 -0.002698 0.035760 -0.000617 -0.011603 302 C 22 X 0.099328 0.110361 -0.013389 0.023093 -0.001547 303 C 22 Y -0.007477 -0.015388 0.041866 -0.003226 -0.011156 304 C 22 Z -0.015686 -0.000189 0.018751 -0.000171 -0.005362 305 C 22 XX 0.001007 0.001606 -0.002076 0.000065 -0.000092 306 C 22 YY -0.013204 -0.015064 0.005687 -0.001699 0.000172 307 C 22 ZZ 0.012197 0.013458 -0.003612 0.001634 -0.000079 308 C 22 XY -0.001800 -0.000712 -0.005643 0.000268 0.002587 309 C 22 XZ -0.001067 0.000930 0.001501 0.000100 -0.000519 310 C 22 YZ -0.001468 -0.001917 0.000392 -0.000251 0.000297 311 H 23 S -0.119923 -0.117796 -0.037804 -0.019820 0.021092 312 H 23 S -0.047177 -0.046115 -0.014373 -0.007941 0.010518 313 H 23 X -0.000835 -0.000205 -0.003454 -0.000445 0.000781 314 H 23 Y -0.008759 -0.009374 0.000118 -0.001755 0.000626 315 H 23 Z -0.001187 -0.000289 0.000962 -0.000075 -0.000380 316 H 24 S 0.095274 0.130260 -0.005517 0.018110 -0.011313 317 H 24 S 0.041282 0.053981 -0.006563 0.006800 -0.005598 318 H 24 X 0.000710 -0.000578 -0.000712 -0.000194 0.000353 319 H 24 Y 0.001068 0.000781 0.002311 0.000273 -0.000774 320 H 24 Z -0.007990 -0.009520 0.001465 -0.001297 0.000507 321 H 25 S 0.128829 0.117687 -0.047653 0.017227 0.004185 322 H 25 S 0.053529 0.050828 -0.020794 0.007755 0.000637 323 H 25 X -0.000378 0.000816 0.001307 -0.000078 -0.000606 324 H 25 Y 0.000526 -0.000287 0.002107 0.000126 -0.000581 325 H 25 Z 0.009232 0.009174 -0.002615 0.001332 -0.000083 326 C 26 S -0.000398 0.001158 0.001761 -0.000177 -0.000469 327 C 26 S 0.002010 -0.001478 -0.005119 -0.005257 0.011222 328 C 26 S 0.006843 -0.015801 -0.014081 0.008776 0.003360 329 C 26 X 0.106731 -0.073254 0.151299 -0.142008 -0.033792 330 C 26 Y -0.158086 0.145133 0.089465 0.022962 -0.182130 331 C 26 Z -0.034203 0.073165 0.007086 -0.085557 0.174466 332 C 26 X 0.054305 -0.038176 0.079439 -0.083192 -0.020347 333 C 26 Y -0.069232 0.070040 0.049326 0.015811 -0.109609 334 C 26 Z -0.018136 0.028033 -0.003791 -0.041197 0.086159 335 C 26 XX 0.010852 -0.010445 -0.000687 -0.002224 0.003515 336 C 26 YY -0.004711 0.002446 -0.001268 0.008396 -0.009989 337 C 26 ZZ -0.006141 0.007999 0.001955 -0.006172 0.006474 338 C 26 XY -0.001744 0.000336 -0.010945 0.008063 0.009699 339 C 26 XZ -0.004841 0.004352 -0.004950 0.007638 0.003092 340 C 26 YZ 0.005821 -0.005111 -0.002078 -0.002559 0.015413 341 H 27 S 0.030151 -0.053824 -0.158849 0.102235 0.108667 342 H 27 S 0.015545 -0.023330 -0.059876 0.043983 0.045167 343 H 27 X 0.005467 -0.005917 -0.006187 0.002266 0.005340 344 H 27 Y -0.002579 0.000775 -0.006934 0.006258 0.000714 345 H 27 Z -0.000013 0.000368 -0.003498 0.000854 0.007222 346 H 28 S -0.125993 0.096096 0.041985 0.075426 -0.217143 347 H 28 S -0.056474 0.038582 0.009301 0.025387 -0.093541 348 H 28 X 0.001052 -0.000652 0.004893 -0.002776 -0.004375 349 H 28 Y 0.005248 -0.002754 -0.000273 -0.005186 0.010715 350 H 28 Z -0.006557 0.006193 0.001527 0.000843 -0.005317 351 H 29 S 0.150228 -0.131555 0.088254 -0.105457 -0.011338 352 H 29 S 0.058493 -0.054039 0.034807 -0.042618 -0.010637 353 H 29 X -0.008698 0.008238 -0.001882 0.003489 -0.000388 354 H 29 Y 0.000595 -0.000587 0.005184 -0.003183 -0.005398 355 H 29 Z 0.004017 -0.002532 0.003335 -0.005337 0.003666 356 C 30 S 0.001074 -0.001205 -0.001734 -0.000151 -0.000447 357 C 30 S -0.002983 0.005861 -0.001625 -0.014834 0.017299 358 C 30 S -0.012455 0.013353 0.022029 0.000362 0.006235 359 C 30 X 0.050582 -0.080772 0.114921 0.039363 -0.026623 360 C 30 Y -0.148371 0.101706 0.174400 -0.016813 0.124054 361 C 30 Z 0.011565 0.003962 0.071760 0.117415 -0.197978 362 C 30 X 0.023723 -0.044002 0.059473 0.019392 -0.014505 363 C 30 Y -0.069732 0.053989 0.088493 -0.011136 0.075949 364 C 30 Z 0.010929 0.000994 0.024661 0.054559 -0.095795 365 C 30 XX -0.007462 0.005520 0.010842 0.002651 0.002236 366 C 30 YY 0.005417 -0.003853 -0.001235 0.006057 -0.011726 367 C 30 ZZ 0.002044 -0.001667 -0.009606 -0.008709 0.009490 368 C 30 XY 0.001237 -0.004159 0.008360 0.002454 0.000552 369 C 30 XZ 0.001069 -0.002230 0.003054 0.001605 -0.000278 370 C 30 YZ -0.005820 0.003426 0.006211 -0.002903 0.013658 371 H 31 S 0.122661 -0.079568 -0.104363 0.060998 -0.188696 372 H 31 S 0.046379 -0.029989 -0.040691 0.025791 -0.083902 373 H 31 X 0.000796 -0.001786 0.003823 0.000845 0.000256 374 H 31 Y 0.005151 -0.003335 -0.002558 0.004179 -0.010085 375 H 31 Z -0.005099 0.003428 0.006740 0.000314 0.003895 376 H 32 S -0.099497 0.107803 0.009718 -0.012357 0.032972 377 H 32 S -0.040431 0.038288 0.003133 -0.008627 0.012102 378 H 32 X -0.006571 0.005947 0.003948 -0.000530 0.001643 379 H 32 Y 0.000573 -0.002111 0.004648 0.000854 0.002083 380 H 32 Z 0.003290 -0.003197 0.001253 0.003269 -0.006014 381 H 33 S -0.037384 -0.004740 0.191576 0.041826 0.012687 382 H 33 S -0.015419 -0.002637 0.078951 0.022988 0.001104 383 H 33 X 0.004205 -0.002147 -0.010297 -0.001390 -0.001302 384 H 33 Y -0.002414 0.002754 -0.004622 -0.002266 0.002925 385 H 33 Z 0.001125 0.000467 -0.003294 0.001511 -0.005247 386 H 34 S -0.041939 0.099835 0.052134 -0.084744 0.015818 387 H 34 S -0.021530 0.042720 0.019298 -0.042257 0.005305 388 H 34 X -0.003435 -0.000277 -0.002543 -0.000778 -0.001133 389 H 34 Y 0.000803 -0.002074 -0.001652 0.000769 -0.002432 390 H 34 Z 0.001703 -0.006096 -0.003740 0.004893 -0.000202 391 F 35 S 0.000128 -0.000162 -0.000145 -0.000044 0.000170 392 F 35 S 0.000139 -0.000547 0.000798 -0.000238 -0.000617 393 F 35 S -0.000693 0.000384 0.002348 0.000278 -0.001844 394 F 35 X -0.009001 0.004936 0.026556 -0.013791 -0.026265 395 F 35 Y -0.056462 -0.002549 0.016933 0.145489 0.053942 396 F 35 Z -0.010523 -0.001716 0.014829 0.010908 0.001842 397 F 35 X -0.006824 0.003841 0.019931 -0.009710 -0.019746 398 F 35 Y -0.041957 -0.002076 0.012939 0.114153 0.042253 399 F 35 Z -0.008385 -0.000024 0.011170 0.008810 -0.000299 400 F 35 XX -0.000197 0.000011 0.000534 -0.000019 -0.000274 401 F 35 YY 0.000085 0.000005 -0.000318 0.000011 0.000178 402 F 35 ZZ 0.000111 -0.000016 -0.000216 0.000008 0.000096 403 F 35 XY -0.000146 -0.000028 0.000100 -0.000189 -0.000177 404 F 35 XZ 0.000056 0.000008 -0.000266 0.000012 0.000182 405 F 35 YZ 0.000103 0.000002 -0.000039 -0.000040 0.000018 406 F 36 S 0.000172 -0.000018 -0.000350 -0.000100 0.000378 407 F 36 S 0.000549 -0.000416 0.000020 -0.000046 -0.000302 408 F 36 S -0.001029 -0.000484 0.004083 0.001260 -0.005377 409 F 36 X 0.000606 0.000318 0.012997 -0.007869 -0.015864 410 F 36 Y -0.059670 -0.004144 0.017361 0.142142 0.052725 411 F 36 Z -0.013953 -0.000222 0.021462 0.011202 -0.007755 412 F 36 X 0.000272 0.000818 0.009452 -0.005937 -0.012778 413 F 36 Y -0.046187 -0.003093 0.013620 0.113332 0.042340 414 F 36 Z -0.010663 0.000081 0.016506 0.009772 -0.006778 415 F 36 XX 0.000054 0.000038 -0.000253 0.000017 0.000181 416 F 36 YY 0.000153 0.000033 -0.000296 0.000021 0.000167 417 F 36 ZZ -0.000207 -0.000071 0.000548 -0.000037 -0.000348 418 F 36 XY 0.000087 0.000015 -0.000033 -0.000265 -0.000087 419 F 36 XZ 0.000087 -0.000008 -0.000048 0.000076 -0.000010 420 F 36 YZ -0.000217 -0.000025 -0.000042 -0.000251 -0.000113 421 C 37 S -0.001074 0.000340 -0.001583 -0.000613 0.000869 422 C 37 S -0.015729 0.010729 -0.026933 0.004523 0.008425 423 C 37 S 0.015469 0.001982 -0.024935 0.014632 0.021652 424 C 37 X 0.051441 -0.021125 0.073352 -0.060791 -0.063230 425 C 37 Y -0.049070 0.089229 0.046266 -0.161336 -0.041501 426 C 37 Z 0.015145 -0.024293 -0.008908 0.011162 -0.067910 427 C 37 X 0.012481 -0.010473 0.029907 -0.038975 -0.046172 428 C 37 Y -0.019184 0.039366 0.003067 -0.082817 -0.028319 429 C 37 Z 0.003610 -0.011650 -0.003220 0.010104 -0.030970 430 C 37 XX 0.005013 -0.009239 -0.001806 0.003118 -0.003109 431 C 37 YY -0.003172 0.006445 -0.001075 -0.000881 0.002417 432 C 37 ZZ -0.001841 0.002794 0.002881 -0.002237 0.000691 433 C 37 XY 0.004437 -0.003836 -0.002176 0.010164 0.007095 434 C 37 XZ -0.001239 0.002048 -0.000273 -0.000062 0.007351 435 C 37 YZ 0.000570 0.000411 -0.001063 0.001972 0.003150 436 S 38 S 0.001103 0.000133 0.000850 0.000570 0.000540 437 S 38 S 0.006062 0.000914 0.004181 0.002794 0.003498 438 S 38 S -0.056727 -0.006568 -0.059214 -0.041012 -0.007094 439 S 38 S -0.141989 -0.014060 -0.125199 -0.067554 -0.033456 440 S 38 X 0.000477 0.000643 0.000438 -0.001298 0.000721 441 S 38 Y 0.002864 0.000098 0.003008 0.000515 0.000869 442 S 38 Z -0.000237 0.000335 0.000323 -0.000490 0.000359 443 S 38 X 0.004132 -0.047084 -0.016423 0.047923 -0.055186 444 S 38 Y -0.132955 -0.021163 -0.169240 -0.083212 -0.058654 445 S 38 Z 0.027961 -0.039590 -0.024549 0.071394 -0.064704 446 S 38 X -0.004152 -0.020588 0.001649 0.055162 -0.025638 447 S 38 Y -0.075470 -0.006475 -0.101056 -0.062804 -0.029253 448 S 38 Z 0.021835 -0.029524 -0.016893 0.054975 -0.049752 449 S 38 XX -0.016059 -0.006188 -0.021565 0.002332 -0.012808 450 S 38 YY 0.027684 0.004533 0.032526 0.008130 0.015232 451 S 38 ZZ -0.011625 0.001655 -0.010961 -0.010461 -0.002424 452 S 38 XY 0.002204 0.004840 0.001244 0.004269 0.008195 453 S 38 XZ 0.002263 -0.002919 -0.000702 0.004683 -0.003584 454 S 38 YZ -0.002791 0.005450 0.004582 -0.006924 0.007912 455 S 38 XX -0.003011 -0.001105 -0.004224 0.000238 -0.002520 456 S 38 YY 0.005274 0.000863 0.006411 0.001609 0.003029 457 S 38 ZZ -0.002263 0.000241 -0.002188 -0.001846 -0.000510 458 S 38 XY 0.000692 0.001077 0.000801 0.000845 0.001412 459 S 38 XZ 0.000387 -0.000444 -0.000089 0.000639 -0.000547 460 S 38 YZ -0.000338 0.000754 0.000779 -0.001022 0.001153 461 H 39 S 0.044739 -0.033179 0.040133 -0.019666 -0.047816 462 H 39 S 0.019308 -0.018709 0.015430 -0.006408 -0.019035 463 H 39 X -0.002367 0.000964 -0.002556 0.000924 0.002281 464 H 39 Y -0.001171 0.001938 0.001847 -0.003460 -0.001633 465 H 39 Z 0.000503 -0.000863 -0.000342 0.000679 -0.002230 91 92 93 94 95 2.0000 2.0000 2.0000 2.0000 2.0000 A A A A A 1 C 1 S 0.001293 0.000685 0.000236 0.000538 0.001330 2 C 1 S 0.004198 -0.001248 0.000770 -0.003227 -0.030244 3 C 1 S -0.021376 -0.019513 -0.004378 -0.017326 -0.076752 4 C 1 X -0.025812 -0.088089 -0.133024 -0.007620 -0.091493 5 C 1 Y -0.183483 -0.101795 -0.143447 -0.041280 -0.111342 6 C 1 Z -0.010165 0.000104 0.008404 0.015984 -0.003926 7 C 1 X -0.008887 -0.044929 -0.076159 0.002698 -0.034081 8 C 1 Y -0.121022 -0.070582 -0.106154 -0.026126 -0.080197 9 C 1 Z -0.007116 -0.002701 0.005227 0.003060 -0.007403 10 C 1 XX -0.002713 0.004549 0.008276 -0.000839 0.007997 11 C 1 YY 0.001193 -0.006882 -0.012366 0.000246 -0.011374 12 C 1 ZZ 0.001520 0.002333 0.004090 0.000592 0.003377 13 C 1 XY -0.023407 -0.012708 -0.023202 -0.003703 -0.006946 14 C 1 XZ -0.000411 -0.000830 -0.001593 -0.001019 -0.001278 15 C 1 YZ 0.000505 0.000141 0.001987 0.004078 -0.001341 16 C 2 S -0.000508 -0.000042 0.000269 -0.000513 -0.001666 17 C 2 S 0.006503 0.001126 0.038199 -0.002688 -0.001625 18 C 2 S 0.059678 0.024419 0.028709 0.020485 0.056107 19 C 2 X 0.017653 0.073380 0.124882 0.004204 0.065069 20 C 2 Y 0.072196 -0.026998 0.121467 -0.012778 -0.078789 21 C 2 Z -0.007661 -0.006090 0.008360 0.037371 -0.002823 22 C 2 X 0.013212 0.026686 0.048132 0.005528 0.035782 23 C 2 Y 0.066326 0.013156 0.106444 -0.004176 -0.021237 24 C 2 Z 0.000332 -0.002446 0.002519 0.011342 -0.002296 25 C 2 XX -0.005055 0.000934 -0.001274 -0.000186 -0.002016 26 C 2 YY 0.005587 -0.000203 0.001283 0.000343 0.002899 27 C 2 ZZ -0.000532 -0.000731 -0.000009 -0.000157 -0.000883 28 C 2 XY -0.014736 -0.008511 -0.023983 -0.001126 0.002257 29 C 2 XZ -0.000216 -0.000780 -0.000876 -0.000443 -0.000464 30 C 2 YZ -0.001151 0.000505 0.001807 0.007303 0.002026 31 C 3 S -0.000961 0.000055 0.001597 0.000590 -0.000812 32 C 3 S -0.001203 0.017332 0.027588 0.002336 0.040808 33 C 3 S 0.040154 0.000127 -0.077743 0.032954 0.091919 34 C 3 X 0.012084 0.003497 -0.072390 0.028017 0.162189 35 C 3 Y -0.085789 0.036899 -0.106041 0.004614 0.123774 36 C 3 Z -0.045840 0.005386 0.015077 0.124601 0.035389 37 C 3 X -0.026340 0.024989 -0.013475 0.005060 0.100497 38 C 3 Y 0.024240 0.052838 -0.069356 0.026065 0.121429 39 C 3 Z -0.023586 0.003525 0.015503 0.069145 0.017303 40 C 3 XX -0.000216 0.008418 -0.008017 0.005957 0.007172 41 C 3 YY -0.000732 -0.009108 0.005813 -0.003910 -0.007080 42 C 3 ZZ 0.000948 0.000689 0.002204 -0.002047 -0.000091 43 C 3 XY -0.008879 0.001581 -0.016744 0.000465 0.014460 44 C 3 XZ -0.000217 0.002895 -0.003867 -0.010663 0.003725 45 C 3 YZ -0.002773 0.000864 0.000147 0.004909 0.002209 46 C 4 S -0.000963 0.000642 0.000564 -0.001178 0.002918 47 C 4 S 0.004194 -0.000560 -0.025055 -0.022558 -0.016538 48 C 4 S 0.009261 -0.018324 -0.024502 -0.020564 -0.075790 49 C 4 X 0.136300 -0.002609 0.045909 0.007839 -0.176373 50 C 4 Y -0.051030 -0.077400 0.127627 -0.099963 -0.137319 51 C 4 Z -0.067332 0.040672 0.036330 -0.004250 0.006267 52 C 4 X 0.117290 0.012191 0.020870 0.020153 -0.105347 53 C 4 Y -0.062804 -0.033073 0.094024 -0.065742 -0.068808 54 C 4 Z -0.069670 0.026078 0.028742 0.012913 -0.006150 55 C 4 XX 0.006568 0.008219 -0.000296 0.007522 0.011354 56 C 4 YY -0.000807 -0.008234 -0.006579 -0.003973 -0.000026 57 C 4 ZZ -0.005760 0.000014 0.006875 -0.003549 -0.011329 58 C 4 XY -0.005552 -0.002506 -0.002169 0.000276 0.018950 59 C 4 XZ -0.015301 -0.000403 -0.000694 -0.000668 0.006885 60 C 4 YZ 0.005035 0.007930 -0.011485 0.000161 0.008591 61 S 5 S 0.000159 -0.000699 -0.001570 0.000160 -0.001732 62 S 5 S 0.001341 -0.003891 -0.008548 0.001179 -0.009653 63 S 5 S 0.001947 0.024768 0.066656 0.003485 0.068731 64 S 5 S -0.009187 0.075055 0.183436 -0.005136 0.187812 65 S 5 X 0.000295 -0.001564 -0.003922 0.000091 -0.003233 66 S 5 Y -0.003827 -0.002080 -0.002529 -0.000818 -0.000680 67 S 5 Z 0.000043 0.000181 0.000194 -0.000915 0.000749 68 S 5 X -0.016666 0.066196 0.224566 -0.004410 0.197652 69 S 5 Y 0.207918 0.125794 0.152357 0.041846 0.070260 70 S 5 Z -0.005281 -0.004480 0.005762 0.069586 -0.042076 71 S 5 X -0.006547 0.051576 0.169629 0.003135 0.154880 72 S 5 Y 0.123764 0.080441 0.094063 0.025819 0.051807 73 S 5 Z -0.013335 -0.008772 0.005485 0.062537 -0.033480 74 S 5 XX 0.008318 0.004103 -0.013242 0.005835 0.001794 75 S 5 YY -0.007905 -0.013498 -0.009701 -0.005887 -0.021817 76 S 5 ZZ -0.000413 0.009394 0.022943 0.000051 0.020023 77 S 5 XY -0.044740 -0.021461 -0.023027 -0.010134 -0.009244 78 S 5 XZ -0.004497 -0.002218 0.003052 -0.005086 0.005824 79 S 5 YZ 0.006304 0.002614 0.000494 0.001040 -0.002900 80 S 5 XX 0.001653 0.000738 -0.001605 0.000873 0.000492 81 S 5 YY -0.001629 -0.002510 -0.002529 -0.000950 -0.004179 82 S 5 ZZ -0.000024 0.001773 0.004134 0.000078 0.003687 83 S 5 XY -0.008349 -0.004019 -0.004185 -0.001959 -0.001753 84 S 5 XZ -0.000843 -0.000405 0.000465 -0.000846 0.000926 85 S 5 YZ 0.001054 0.000426 0.000035 0.000269 -0.000566 86 H 6 S -0.063840 -0.032231 -0.151566 0.004003 0.013696 87 H 6 S -0.033241 -0.014984 -0.051793 -0.004441 0.001116 88 H 6 X -0.003019 0.000177 -0.003875 0.000019 0.000944 89 H 6 Y -0.001329 -0.001776 -0.004588 -0.000020 -0.000979 90 H 6 Z -0.000280 -0.000150 -0.000124 0.001621 0.000286 91 C 7 S -0.002432 0.000157 -0.001481 -0.000412 0.001497 92 C 7 S 0.006139 0.033989 -0.020913 -0.000066 0.001180 93 C 7 S -0.025658 0.065474 0.078538 -0.041396 -0.066592 94 C 7 X -0.069552 0.047358 0.073026 -0.005542 0.001766 95 C 7 Y 0.074614 -0.071015 0.006556 -0.020841 -0.102803 96 C 7 Z 0.000744 -0.055468 0.009538 0.177518 -0.024285 97 C 7 X -0.063525 0.065695 0.044231 -0.004319 0.003355 98 C 7 Y 0.076117 -0.092381 -0.036349 0.009469 -0.043856 99 C 7 Z -0.002309 -0.040604 0.011353 0.130325 -0.017610 100 C 7 XX -0.006767 0.009147 -0.004217 -0.005901 0.014228 101 C 7 YY 0.008265 -0.008394 0.003043 -0.002006 -0.014847 102 C 7 ZZ -0.001498 -0.000754 0.001174 0.007907 0.000619 103 C 7 XY 0.010513 0.009722 -0.011279 0.000718 -0.005916 104 C 7 XZ 0.006378 -0.002662 -0.004677 -0.015252 -0.000285 105 C 7 YZ -0.000893 -0.000619 -0.000308 0.006048 -0.001084 106 C 8 S -0.000485 -0.001484 0.001342 -0.000610 0.000879 107 C 8 S 0.010268 -0.008260 0.006079 0.000032 -0.021127 108 C 8 S 0.020913 0.024757 -0.032582 0.002896 -0.030599 109 C 8 X 0.005958 -0.248966 0.093919 -0.027937 0.101373 110 C 8 Y 0.062574 0.025277 -0.081585 -0.029477 0.042788 111 C 8 Z 0.007008 -0.035958 -0.003207 0.062176 0.002155 112 C 8 X -0.018720 -0.156637 0.062790 -0.032338 0.078354 113 C 8 Y 0.033202 0.001436 -0.035369 -0.013474 0.040309 114 C 8 Z 0.003988 -0.027251 0.000473 0.045628 0.003701 115 C 8 XX -0.001637 0.031115 -0.009126 0.004365 -0.015595 116 C 8 YY 0.002950 -0.026149 0.005938 -0.002795 0.013177 117 C 8 ZZ -0.001313 -0.004967 0.003187 -0.001570 0.002418 118 C 8 XY 0.011431 -0.007790 -0.005854 -0.002535 0.003975 119 C 8 XZ 0.001262 0.003517 -0.001425 -0.010340 0.001569 120 C 8 YZ 0.001062 0.000283 -0.000477 -0.004610 0.001834 121 C 9 S -0.000962 0.001091 0.001770 0.000098 -0.000111 122 C 9 S -0.027026 -0.041230 0.024779 0.014671 0.007857 123 C 9 S 0.025738 -0.076692 -0.025599 0.050136 -0.001178 124 C 9 X 0.137056 -0.093608 -0.093207 -0.014050 0.013555 125 C 9 Y 0.045190 0.037203 -0.085164 -0.012096 0.184683 126 C 9 Z 0.023753 -0.061427 -0.009595 -0.166540 0.056039 127 C 9 X 0.080178 -0.010818 -0.037181 -0.015722 -0.007290 128 C 9 Y 0.060741 0.012358 -0.064827 -0.005385 0.117393 129 C 9 Z 0.050358 -0.049680 -0.031064 -0.094277 0.047318 130 C 9 XX 0.000320 0.012394 -0.007123 -0.005886 0.010854 131 C 9 YY 0.006744 -0.009264 -0.002532 -0.007081 0.002190 132 C 9 ZZ -0.007064 -0.003130 0.009655 0.012967 -0.013045 133 C 9 XY 0.004170 -0.005480 -0.010908 0.001527 0.013224 134 C 9 XZ 0.011858 -0.004396 -0.003733 -0.002206 -0.002796 135 C 9 YZ 0.001440 0.003255 -0.005593 0.010992 0.009879 136 C 10 S 0.000329 -0.002198 -0.000677 0.002052 0.000699 137 C 10 S -0.004901 0.001856 0.010030 -0.003490 -0.010145 138 C 10 S -0.067715 0.040099 0.062296 -0.050790 -0.010215 139 C 10 X 0.101793 -0.040591 -0.064462 0.073679 -0.000163 140 C 10 Y -0.091836 0.090476 -0.046736 0.005072 0.079762 141 C 10 Z -0.054649 -0.028132 0.065960 0.220055 -0.026376 142 C 10 X 0.162122 -0.067476 -0.159274 0.117584 0.048863 143 C 10 Y -0.073275 0.064655 -0.025149 -0.003646 0.056058 144 C 10 Z -0.038812 -0.011375 0.051905 0.134003 -0.022445 145 C 10 XX -0.014373 0.008950 0.003183 0.001370 0.008277 146 C 10 YY 0.010528 -0.009489 -0.001236 0.001515 -0.008041 147 C 10 ZZ 0.003844 0.000539 -0.001948 -0.002886 -0.000236 148 C 10 XY 0.008887 -0.002884 -0.011376 0.008916 0.005100 149 C 10 XZ 0.003934 -0.003947 -0.001424 0.009183 -0.002289 150 C 10 YZ 0.000638 -0.000193 -0.000591 -0.007499 -0.000654 151 C 11 S -0.003221 -0.000269 0.001399 -0.000153 -0.000566 152 C 11 S 0.016995 -0.013870 -0.013788 0.003577 -0.017607 153 C 11 S 0.021285 0.002121 -0.049508 0.009269 0.024710 154 C 11 X 0.002251 -0.011966 0.070796 -0.039903 -0.104563 155 C 11 Y 0.084900 -0.091215 0.046233 -0.011359 -0.065082 156 C 11 Z -0.044694 -0.015093 0.047385 0.204864 -0.007396 157 C 11 X -0.088415 0.000263 0.161470 -0.078283 -0.139492 158 C 11 Y 0.035167 -0.060588 0.020680 -0.013613 -0.063897 159 C 11 Z -0.028103 -0.009771 0.033910 0.139131 -0.010051 160 C 11 XX -0.010157 0.006657 -0.008742 0.000537 0.013765 161 C 11 YY 0.009469 -0.006397 0.006705 -0.000430 -0.011042 162 C 11 ZZ 0.000688 -0.000259 0.002038 -0.000107 -0.002724 163 C 11 XY 0.003246 0.001217 -0.015634 0.008313 0.013762 164 C 11 XZ -0.003100 0.001177 0.001258 0.003284 0.001451 165 C 11 YZ -0.001614 -0.002176 0.003281 0.010328 -0.001927 166 C 12 S -0.004231 0.002055 0.004637 -0.004747 -0.001894 167 C 12 S -0.014094 0.017568 -0.006224 -0.001702 0.010797 168 C 12 S 0.098763 -0.026383 -0.148952 0.107511 0.066740 169 C 12 X -0.159210 0.078253 0.090228 -0.064314 0.005610 170 C 12 Y -0.053373 0.008412 0.058772 -0.039718 -0.015612 171 C 12 Z -0.028062 0.005582 0.031826 -0.018415 -0.010901 172 C 12 X -0.000534 0.007243 -0.012332 0.007111 0.011058 173 C 12 Y -0.039311 0.013508 0.054582 -0.038124 -0.020215 174 C 12 Z -0.010329 -0.000440 0.016755 -0.014805 -0.006208 175 C 12 XX -0.010648 0.005983 0.000866 0.001299 0.004322 176 C 12 YY 0.007046 -0.004985 0.000925 0.008367 -0.004575 177 C 12 ZZ 0.003602 -0.000998 -0.001791 -0.009666 0.000252 178 C 12 XY 0.009745 -0.001045 -0.012313 0.007047 0.004744 179 C 12 XZ 0.003586 -0.004930 -0.001462 0.016151 0.000054 180 C 12 YZ 0.006436 0.000581 -0.008813 -0.002119 0.003115 181 C 13 S -0.001327 -0.000081 0.000883 0.003342 -0.000602 182 C 13 S 0.017562 -0.010674 0.007276 0.022218 -0.022074 183 C 13 S 0.063180 -0.020370 0.001304 -0.002469 -0.038833 184 C 13 X 0.018828 -0.012000 0.016778 0.014620 -0.030418 185 C 13 Y 0.122382 -0.028397 -0.151218 0.082592 0.065124 186 C 13 Z 0.030677 -0.012692 -0.008940 0.019727 -0.013144 187 C 13 X 0.020578 -0.006402 0.005118 -0.003316 -0.015919 188 C 13 Y 0.026732 -0.008426 -0.029914 0.019884 0.016281 189 C 13 Z 0.010822 -0.001267 -0.000669 0.009363 -0.005771 190 C 13 XX -0.006882 0.004405 -0.000667 -0.004120 0.005489 191 C 13 YY 0.007442 -0.004720 0.001957 0.002365 -0.006876 192 C 13 ZZ -0.000559 0.000315 -0.001290 0.001755 0.001387 193 C 13 XY 0.008694 -0.001364 -0.011243 0.005016 0.004643 194 C 13 XZ 0.003203 -0.001390 0.000193 0.002710 -0.002227 195 C 13 YZ 0.008279 -0.002154 -0.008041 0.004385 0.002390 196 C 14 S 0.004011 0.000025 -0.005088 0.001437 0.003413 197 C 14 S -0.026733 0.018030 -0.005287 0.001582 0.030268 198 C 14 S -0.149441 0.028271 0.127814 -0.042671 -0.046116 199 C 14 X 0.004325 0.034418 -0.134609 0.056676 0.136594 200 C 14 Y -0.058130 0.020300 0.044965 -0.014936 -0.001961 201 C 14 Z 0.017398 -0.002143 -0.026501 0.014437 0.014971 202 C 14 X -0.013823 0.008252 -0.014660 0.002132 0.017828 203 C 14 Y -0.055249 0.011126 0.062468 -0.020268 -0.026036 204 C 14 Z 0.006550 -0.001295 -0.006830 -0.005927 0.003200 205 C 14 XX -0.008842 0.006555 -0.002924 -0.000108 0.006140 206 C 14 YY 0.002323 -0.003440 0.005551 0.004093 -0.004247 207 C 14 ZZ 0.006520 -0.003115 -0.002627 -0.003986 -0.001893 208 C 14 XY 0.006437 -0.001031 -0.012893 0.004094 0.009253 209 C 14 XZ -0.006113 0.000193 0.006028 0.009147 -0.001936 210 C 14 YZ 0.003638 -0.002847 -0.003156 0.013406 0.001309 211 F 15 S 0.000428 -0.000129 -0.000739 0.000612 0.000401 212 F 15 S 0.002156 0.000114 -0.002251 -0.005966 0.000451 213 F 15 S -0.002330 0.002378 0.006332 -0.018168 -0.004834 214 F 15 X 0.105555 -0.036645 -0.065918 -0.026159 0.002642 215 F 15 Y 0.032992 -0.009333 -0.024111 0.046674 -0.000172 216 F 15 Z 0.012788 -0.005572 -0.016754 0.042231 0.006547 217 F 15 X 0.081984 -0.029205 -0.050755 -0.021138 0.001298 218 F 15 Y 0.028419 -0.009475 -0.021942 0.040154 0.001041 219 F 15 Z 0.013293 -0.005039 -0.017652 0.033035 0.007263 220 F 15 XX -0.000349 0.000173 0.000091 0.000234 0.000115 221 F 15 YY 0.000067 -0.000008 -0.000209 0.000372 0.000105 222 F 15 ZZ 0.000281 -0.000165 0.000117 -0.000606 -0.000220 223 F 15 XY 0.000123 -0.000080 -0.000095 0.000178 -0.000009 224 F 15 XZ -0.000056 -0.000219 -0.000032 0.001446 0.000002 225 F 15 YZ 0.000072 0.000047 -0.000198 -0.000447 0.000115 226 F 16 S -0.000169 0.000441 -0.000313 0.000449 0.000197 227 F 16 S 0.000299 0.003456 0.000510 0.003751 -0.004451 228 F 16 S 0.003199 0.001562 0.003074 0.000942 -0.010340 229 F 16 X 0.096686 -0.028483 -0.044811 0.068451 -0.026593 230 F 16 Y 0.034556 0.019662 -0.058626 0.005137 0.017024 231 F 16 Z 0.017379 0.000647 -0.013728 -0.010563 -0.000109 232 F 16 X 0.074237 -0.022181 -0.034141 0.052550 -0.020966 233 F 16 Y 0.028367 0.014083 -0.048086 0.009405 0.014877 234 F 16 Z 0.015333 0.000661 -0.014474 -0.007172 0.001628 235 F 16 XX -0.000187 0.000266 -0.000129 0.000049 0.000131 236 F 16 YY 0.000226 -0.000681 0.000326 0.000247 -0.000082 237 F 16 ZZ -0.000039 0.000416 -0.000196 -0.000296 -0.000048 238 F 16 XY 0.000210 -0.000595 -0.000380 -0.000137 0.000616 239 F 16 XZ 0.000063 0.000055 0.000135 0.000402 -0.000261 240 F 16 YZ -0.000143 0.000215 -0.000220 0.000418 0.000153 241 F 17 S -0.000625 0.000287 0.000001 0.000383 0.000333 242 F 17 S 0.001663 -0.000799 0.002471 0.004296 -0.000411 243 F 17 S 0.009848 -0.004112 0.005621 0.001532 -0.005275 244 F 17 X -0.001928 -0.023870 0.097050 -0.001309 -0.066057 245 F 17 Y 0.041889 -0.026690 -0.029788 0.042957 -0.005129 246 F 17 Z 0.008926 -0.006124 0.011391 -0.004403 -0.008797 247 F 17 X -0.001689 -0.019111 0.076277 -0.000708 -0.052581 248 F 17 Y 0.036862 -0.020950 -0.027740 0.031979 -0.002027 249 F 17 Z 0.004537 -0.003476 0.011261 -0.006566 -0.007973 250 F 17 XX -0.000481 0.000305 -0.000030 -0.000137 0.000197 251 F 17 YY 0.000226 -0.000307 -0.000010 0.000313 -0.000233 252 F 17 ZZ 0.000255 0.000002 0.000040 -0.000176 0.000035 253 F 17 XY 0.000208 0.000012 -0.000016 0.000458 0.000542 254 F 17 XZ 0.000061 -0.000102 0.000155 0.000516 0.000180 255 F 17 YZ 0.000703 -0.000415 -0.000032 0.000111 -0.000333 256 F 18 S -0.000872 0.000265 0.000584 -0.000304 0.000022 257 F 18 S 0.001382 -0.000252 0.000264 -0.006185 -0.000980 258 F 18 S 0.013746 -0.003649 -0.007038 -0.005995 -0.001830 259 F 18 X 0.013720 -0.020685 0.068059 -0.078976 -0.069234 260 F 18 Y 0.038905 -0.008020 -0.037686 -0.027582 0.003417 261 F 18 Z -0.024890 0.006883 0.021267 0.007908 -0.004806 262 F 18 X 0.011698 -0.016700 0.053879 -0.062354 -0.056179 263 F 18 Y 0.033857 -0.006735 -0.034594 -0.019804 0.005484 264 F 18 Z -0.020929 0.005585 0.018127 0.002354 -0.004765 265 F 18 XX -0.000335 0.000203 -0.000155 0.000267 0.000379 266 F 18 YY -0.000286 0.000122 0.000090 -0.000129 0.000041 267 F 18 ZZ 0.000621 -0.000325 0.000065 -0.000137 -0.000420 268 F 18 XY 0.000244 -0.000004 -0.000288 -0.000124 0.000268 269 F 18 XZ -0.000636 0.000137 0.000368 0.000783 -0.000195 270 F 18 YZ -0.000474 0.000127 0.000192 0.000649 0.000187 271 C 19 S -0.000071 -0.000335 0.000037 -0.000102 0.000619 272 C 19 S 0.012078 -0.019376 -0.003781 -0.006471 0.014062 273 C 19 S 0.019827 -0.009447 -0.005783 -0.004316 -0.004305 274 C 19 X -0.017253 0.155590 -0.050923 0.022934 -0.034926 275 C 19 Y -0.062962 0.033452 0.051784 0.029791 -0.065988 276 C 19 Z -0.007869 0.036703 0.002532 -0.052586 -0.003627 277 C 19 X -0.003471 0.087789 -0.032724 0.014161 -0.018724 278 C 19 Y -0.032672 0.007778 0.029756 0.011915 -0.028105 279 C 19 Z -0.003938 0.020768 0.001115 -0.034860 -0.000320 280 C 19 XX 0.000847 0.014873 -0.007828 0.000551 -0.002139 281 C 19 YY 0.001385 -0.013552 0.004241 0.000082 0.004476 282 C 19 ZZ -0.002231 -0.001322 0.003587 -0.000633 -0.002336 283 C 19 XY 0.003298 -0.003811 -0.001717 -0.001259 0.002137 284 C 19 XZ 0.000585 0.000136 -0.000791 0.000004 0.000375 285 C 19 YZ 0.000703 0.001076 -0.000152 -0.006825 0.001711 286 H 20 S 0.002139 0.140056 -0.064673 0.012073 -0.015309 287 H 20 S -0.002961 0.072375 -0.034072 0.006098 -0.012102 288 H 20 X -0.000833 -0.007094 0.004049 -0.000447 0.000208 289 H 20 Y -0.001760 0.001113 0.001155 0.000850 -0.001072 290 H 20 Z -0.000247 0.000539 0.000301 -0.001577 0.000062 291 H 21 S -0.023785 -0.048563 0.038955 0.050318 -0.022485 292 H 21 S -0.012997 -0.025377 0.021356 0.023247 -0.008097 293 H 21 X -0.000609 0.004144 -0.001230 0.001234 -0.001545 294 H 21 Y -0.000260 0.003974 -0.000940 -0.001596 -0.000903 295 H 21 Z -0.001832 -0.001778 0.002504 0.001478 -0.001619 296 C 22 S 0.000491 0.000176 0.000166 0.000121 0.000893 297 C 22 S 0.024004 0.007163 0.011534 0.004996 0.003227 298 C 22 S 0.012528 -0.000930 -0.001851 0.002119 -0.015747 299 C 22 X 0.005711 0.050352 0.023079 0.004242 0.033702 300 C 22 Y 0.164403 0.076207 0.086407 0.034356 0.049670 301 C 22 Z 0.012004 0.002252 -0.005940 -0.021176 0.005836 302 C 22 X 0.012177 0.032772 0.021793 0.003721 0.023234 303 C 22 Y 0.078570 0.040432 0.046112 0.016781 0.028818 304 C 22 Z 0.006600 0.002191 -0.005188 -0.012857 0.004898 305 C 22 XX -0.000301 0.001665 0.003320 0.000063 0.002814 306 C 22 YY 0.000905 -0.003856 -0.004023 -0.000473 -0.003968 307 C 22 ZZ -0.000604 0.002191 0.000704 0.000410 0.001153 308 C 22 XY -0.013283 -0.008797 -0.010248 -0.002780 -0.007334 309 C 22 XZ -0.000662 -0.000526 -0.001575 -0.001839 -0.000159 310 C 22 YZ 0.000527 -0.000004 0.000407 0.000924 -0.000157 311 H 23 S -0.112408 -0.087764 -0.078508 -0.025302 -0.060348 312 H 23 S -0.055572 -0.042988 -0.045265 -0.012405 -0.030719 313 H 23 X -0.005171 -0.002610 -0.002011 -0.001098 -0.001482 314 H 23 Y -0.002943 -0.003838 -0.003424 -0.000558 -0.002599 315 H 23 Z 0.000017 -0.000217 -0.000423 -0.000698 -0.000030 316 H 24 S 0.004099 0.026422 0.007216 -0.014193 0.021791 317 H 24 S -0.001775 0.012891 0.009518 -0.004759 0.015273 318 H 24 X -0.000038 0.000027 0.000079 0.000982 -0.000093 319 H 24 Y 0.004525 0.002637 0.003057 0.000677 0.001973 320 H 24 Z 0.000178 -0.001692 -0.000508 0.000363 -0.001340 321 H 25 S 0.000789 0.027501 0.023040 0.019980 0.015967 322 H 25 S -0.000417 0.015430 0.015384 0.006168 0.014447 323 H 25 X 0.000119 0.000032 -0.000639 -0.000790 0.000249 324 H 25 Y 0.004524 0.002558 0.003286 0.001042 0.001906 325 H 25 Z 0.000253 0.002042 0.001376 0.000791 0.001356 326 C 26 S 0.000149 0.001063 0.000152 -0.001921 -0.000284 327 C 26 S -0.012169 -0.004258 0.008030 0.035363 -0.015053 328 C 26 S 0.002967 -0.017522 -0.005497 0.055948 -0.016460 329 C 26 X -0.116568 0.045640 0.018529 -0.080105 -0.005912 330 C 26 Y 0.009436 -0.046443 0.039729 0.022380 -0.072068 331 C 26 Z -0.043617 0.030083 0.034090 0.155560 -0.068957 332 C 26 X -0.067821 0.023422 0.010121 -0.043973 -0.004278 333 C 26 Y 0.006574 -0.026461 0.017096 0.013796 -0.049926 334 C 26 Z -0.015172 0.008501 0.021096 0.081341 -0.021884 335 C 26 XX -0.001068 0.003171 -0.002687 -0.008626 0.005768 336 C 26 YY 0.005466 -0.002815 -0.001993 -0.003677 0.001141 337 C 26 ZZ -0.004398 -0.000356 0.004680 0.012303 -0.006909 338 C 26 XY 0.006850 -0.002183 -0.003818 0.004635 0.002878 339 C 26 XZ 0.007621 -0.005161 -0.003657 0.002474 0.000217 340 C 26 YZ -0.001607 0.004126 -0.003005 0.004061 0.007363 341 H 27 S 0.083571 -0.013426 -0.048890 0.019042 0.061518 342 H 27 S 0.041621 -0.007327 -0.026022 0.002555 0.030045 343 H 27 X 0.001149 0.000392 -0.001476 0.000374 0.002855 344 H 27 Y 0.004494 -0.002014 -0.000489 0.002421 0.001066 345 H 27 Z 0.001710 0.000480 -0.001392 0.004116 -0.000398 346 H 28 S 0.041031 -0.061999 0.020563 -0.024187 -0.042294 347 H 28 S 0.015418 -0.036443 0.016489 -0.021691 -0.009692 348 H 28 X -0.003056 0.000410 0.001040 -0.002261 -0.000476 349 H 28 Y -0.002524 0.004050 -0.000590 0.000999 -0.000560 350 H 28 Z 0.000322 -0.002331 0.002236 0.002591 -0.003905 351 H 29 S -0.094840 0.050288 0.000069 -0.103146 0.036766 352 H 29 S -0.039816 0.029230 0.010140 -0.051222 0.030296 353 H 29 X 0.003884 -0.001431 0.000899 0.005149 -0.002823 354 H 29 Y -0.003374 0.000054 0.001315 -0.002664 -0.000893 355 H 29 Z -0.003945 0.002635 0.001206 0.001233 -0.000118 356 C 30 S -0.000592 -0.000905 -0.000195 0.001006 -0.000208 357 C 30 S -0.005771 0.002186 -0.000539 -0.019375 -0.008540 358 C 30 S 0.015564 0.007556 -0.008658 -0.037067 -0.005608 359 C 30 X -0.151751 -0.027307 -0.023157 0.076652 0.070138 360 C 30 Y 0.014998 0.065331 -0.068799 0.058684 0.050269 361 C 30 Z 0.062507 -0.032112 -0.030546 0.011426 0.033426 362 C 30 X -0.094089 -0.015750 -0.007431 0.038398 0.053756 363 C 30 Y 0.009219 0.036730 -0.047938 0.040460 0.020975 364 C 30 Z 0.019624 -0.018935 -0.017802 0.008808 0.007601 365 C 30 XX 0.002615 0.003420 -0.004228 0.005681 0.004008 366 C 30 YY 0.000738 -0.003303 -0.000152 -0.000083 0.000890 367 C 30 ZZ -0.003353 -0.000117 0.004380 -0.005599 -0.004898 368 C 30 XY -0.010953 -0.001152 -0.003292 0.004632 0.007716 369 C 30 XZ -0.008168 -0.000835 -0.002141 0.001490 0.007146 370 C 30 YZ 0.000328 0.006660 -0.005510 0.003807 0.006484 371 H 31 S 0.003392 -0.073559 0.044006 -0.054055 -0.033206 372 H 31 S 0.004884 -0.032371 0.026700 -0.024065 -0.015595 373 H 31 X -0.004399 -0.000333 -0.001089 0.002648 0.002143 374 H 31 Y 0.001107 -0.002892 0.001030 -0.002676 0.000447 375 H 31 Z 0.001807 0.002632 -0.003347 0.002969 0.002609 376 H 32 S 0.143113 0.044591 -0.018596 -0.025193 -0.033254 377 H 32 S 0.065522 0.014418 -0.004803 -0.007911 -0.008436 378 H 32 X 0.006110 0.002013 -0.002585 -0.001480 0.000581 379 H 32 Y -0.005872 0.000070 -0.000896 0.003738 0.002575 380 H 32 Z -0.003424 -0.002024 0.000197 0.000780 0.002175 381 H 33 S -0.099274 0.011443 -0.063634 0.085499 0.094596 382 H 33 S -0.041689 0.008441 -0.027241 0.044667 0.052164 383 H 33 X 0.002334 -0.001358 0.003206 -0.003215 -0.003489 384 H 33 Y 0.004983 0.001280 0.000883 -0.002101 -0.002284 385 H 33 Z 0.004210 -0.001265 0.001058 -0.001857 -0.002034 386 H 34 S -0.023790 -0.006834 0.037275 -0.040861 -0.014383 387 H 34 S -0.013101 -0.006815 0.020040 -0.015461 -0.004689 388 H 34 X -0.000787 0.004513 -0.000949 -0.000196 -0.001523 389 H 34 Y -0.000569 0.001567 -0.000264 0.002443 -0.001535 390 H 34 Z 0.001717 0.001560 -0.002681 0.001110 0.001021 391 F 35 S 0.000304 -0.000122 -0.000017 -0.000037 -0.000141 392 F 35 S -0.000690 0.000657 -0.000372 -0.001526 0.001589 393 F 35 S -0.003506 0.001742 0.000096 -0.002092 0.003535 394 F 35 X -0.024312 0.016789 -0.013413 -0.018667 0.030630 395 F 35 Y -0.077139 0.020226 0.087694 -0.048348 -0.036385 396 F 35 Z -0.010202 0.004330 0.005246 -0.016806 0.002121 397 F 35 X -0.018588 0.012032 -0.009999 -0.012781 0.023084 398 F 35 Y -0.060631 0.015975 0.070304 -0.038813 -0.030040 399 F 35 Z -0.010438 0.004368 0.003316 -0.013298 0.003683 400 F 35 XX -0.000389 0.000225 -0.000026 -0.000279 0.000275 401 F 35 YY 0.000258 -0.000159 -0.000004 0.000194 -0.000189 402 F 35 ZZ 0.000131 -0.000067 0.000030 0.000085 -0.000086 403 F 35 XY 0.000086 0.000026 -0.000315 0.000170 0.000220 404 F 35 XZ 0.000258 -0.000115 -0.000037 0.000045 -0.000171 405 F 35 YZ 0.000054 -0.000038 0.000031 0.000002 -0.000048 406 F 36 S 0.000577 -0.000246 -0.000002 -0.000375 -0.000342 407 F 36 S -0.000647 -0.000121 0.000793 0.002528 0.000052 408 F 36 S -0.008686 0.003267 0.001690 0.009445 0.004445 409 F 36 X -0.014670 0.000320 0.000777 0.030904 0.007443 410 F 36 Y -0.069510 0.016173 0.079881 -0.039356 -0.034277 411 F 36 Z -0.022927 0.008723 0.005315 -0.005015 0.010544 412 F 36 X -0.011758 0.000238 -0.000416 0.024177 0.006823 413 F 36 Y -0.055694 0.012667 0.064860 -0.032247 -0.028133 414 F 36 Z -0.020137 0.007434 0.004856 -0.002136 0.009004 415 F 36 XX 0.000268 -0.000017 -0.000064 -0.000408 -0.000105 416 F 36 YY 0.000162 -0.000131 0.000079 0.000066 -0.000205 417 F 36 ZZ -0.000429 0.000148 -0.000014 0.000343 0.000310 418 F 36 XY 0.000120 0.000016 -0.000153 -0.000064 0.000071 419 F 36 XZ -0.000074 -0.000118 0.000183 0.000654 -0.000200 420 F 36 YZ 0.000328 -0.000099 -0.000466 0.000329 0.000196 421 C 37 S 0.002277 0.000450 0.000640 -0.000403 -0.000803 422 C 37 S 0.010218 -0.028587 -0.015516 -0.007794 0.041795 423 C 37 S -0.017261 -0.040053 -0.019039 -0.000759 0.064754 424 C 37 X -0.078714 0.133266 0.037561 0.025391 -0.132318 425 C 37 Y -0.087629 -0.062982 0.139750 0.021859 -0.065265 426 C 37 Z -0.016292 -0.036179 0.028566 0.022330 -0.012834 427 C 37 X -0.015309 0.089039 -0.002929 0.018914 -0.083497 428 C 37 Y -0.015383 -0.009471 0.065555 0.017069 -0.050535 429 C 37 Z -0.007984 -0.015956 0.011736 0.024847 -0.005646 430 C 37 XX -0.004381 0.018353 -0.004913 -0.001122 -0.000082 431 C 37 YY 0.004861 -0.017985 0.004596 -0.002603 0.001745 432 C 37 ZZ -0.000480 -0.000368 0.000317 0.003725 -0.001663 433 C 37 XY 0.006342 -0.015496 -0.004094 -0.004537 0.013429 434 C 37 XZ 0.001886 -0.000047 -0.001545 0.000692 0.002343 435 C 37 YZ 0.001981 -0.004641 -0.000438 0.007216 0.000537 436 S 38 S 0.000901 0.000751 -0.000747 0.000181 -0.001233 437 S 38 S 0.005133 0.003352 -0.004093 0.001173 -0.006518 438 S 38 S -0.031319 -0.056116 0.032752 -0.001076 0.047125 439 S 38 S -0.100889 -0.113266 0.093241 -0.018426 0.138606 440 S 38 X 0.000849 -0.003838 0.000536 0.000188 0.001312 441 S 38 Y 0.001772 -0.000394 -0.000479 0.000098 -0.002092 442 S 38 Z 0.000061 0.000393 0.000041 -0.001685 0.000092 443 S 38 X 0.002706 0.300236 -0.102353 0.023160 -0.149962 444 S 38 Y -0.088888 -0.014807 0.020551 0.003758 0.173687 445 S 38 Z -0.006050 -0.053523 0.002594 0.219702 -0.026956 446 S 38 X -0.010801 0.191100 -0.057690 0.001693 -0.108977 447 S 38 Y -0.058186 -0.040184 0.020518 0.001897 0.132469 448 S 38 Z -0.004730 -0.044770 0.000823 0.178995 -0.020191 449 S 38 XX -0.006169 0.046846 -0.016870 0.004005 -0.010871 450 S 38 YY 0.012615 -0.027900 0.008021 -0.003488 -0.008303 451 S 38 ZZ -0.006447 -0.018946 0.008849 -0.000517 0.019174 452 S 38 XY 0.007163 -0.013074 -0.003662 -0.003367 0.005235 453 S 38 XZ 0.000880 -0.001177 -0.001645 0.008218 -0.002068 454 S 38 YZ 0.001532 0.005091 -0.001200 -0.022376 0.002270 455 S 38 XX -0.000979 0.008773 -0.003280 0.000951 -0.001948 456 S 38 YY 0.002417 -0.005589 0.001651 -0.000821 -0.001603 457 S 38 ZZ -0.001438 -0.003184 0.001629 -0.000130 0.003551 458 S 38 XY 0.001207 -0.002171 -0.000516 -0.000511 0.000214 459 S 38 XZ 0.000158 -0.000058 -0.000259 0.000962 -0.000349 460 S 38 YZ 0.000252 0.000751 -0.000200 -0.003333 0.000359 461 H 39 S -0.050760 0.136332 -0.004449 0.015174 -0.082644 462 H 39 S -0.033232 0.071651 0.007592 0.005988 -0.031635 463 H 39 X 0.001874 -0.005308 0.000910 -0.000860 0.003622 464 H 39 Y -0.004043 0.000210 0.002101 0.000872 -0.003551 465 H 39 Z -0.000468 -0.000950 0.000719 0.000663 -0.000461 96 97 98 99 100 2.0000 2.0000 2.0000 2.0000 1.9569 A A A A A 1 C 1 S -0.000481 0.000291 0.000149 0.000031 -0.000351 2 C 1 S -0.013975 -0.006369 -0.004631 0.001135 0.007238 3 C 1 S -0.017397 -0.012444 -0.018433 0.001616 0.024101 4 C 1 X -0.031826 -0.014657 0.005902 0.000322 0.007179 5 C 1 Y 0.029088 -0.009629 -0.002617 0.002559 0.006420 6 C 1 Z -0.008805 0.008832 0.132366 -0.003149 0.112842 7 C 1 X -0.008875 -0.006375 0.007462 0.001837 0.001133 8 C 1 Y 0.029958 -0.008232 0.001146 0.000798 0.005532 9 C 1 Z -0.005903 0.010274 0.095034 -0.010766 0.063090 10 C 1 XX 0.010458 0.003234 0.004861 -0.000643 -0.001520 11 C 1 YY -0.012316 -0.003637 -0.004604 0.000554 0.000071 12 C 1 ZZ 0.001857 0.000403 -0.000257 0.000089 0.001449 13 C 1 XY 0.004752 0.000499 0.003051 0.000243 0.001372 14 C 1 XZ -0.001443 0.002634 0.009784 -0.001453 -0.011865 15 C 1 YZ -0.003647 0.001379 0.023048 0.000431 0.005078 16 C 2 S -0.001044 0.000266 -0.000603 0.000018 -0.000134 17 C 2 S 0.030303 0.002168 0.005009 -0.002853 0.005486 18 C 2 S 0.043805 0.009229 0.036227 -0.004642 0.003139 19 C 2 X 0.035565 0.010919 0.006763 0.001563 0.011608 20 C 2 Y 0.033896 -0.011903 -0.002628 -0.007461 -0.003242 21 C 2 Z 0.001910 -0.034665 0.014518 0.028161 0.214126 22 C 2 X 0.015691 0.002799 0.007846 0.002288 -0.000197 23 C 2 Y 0.005418 -0.005198 0.006205 -0.004553 0.000459 24 C 2 Z 0.002479 -0.015282 -0.011342 0.009258 0.123988 25 C 2 XX -0.001318 -0.000456 -0.000202 0.000239 0.002596 26 C 2 YY 0.000362 0.000996 0.001997 -0.000630 -0.003293 27 C 2 ZZ 0.000956 -0.000540 -0.001795 0.000391 0.000697 28 C 2 XY 0.003062 0.000862 0.002549 0.000371 -0.002077 29 C 2 XZ -0.000745 0.001858 0.009046 -0.001593 0.002841 30 C 2 YZ 0.001248 -0.006586 -0.003056 0.006147 0.015741 31 C 3 S -0.001145 0.000063 0.000512 0.000654 -0.000002 32 C 3 S 0.007771 0.007707 0.012995 0.006133 0.000856 33 C 3 S 0.082157 0.016691 0.039654 -0.006595 -0.003748 34 C 3 X 0.093816 0.028214 0.042742 -0.001168 -0.035460 35 C 3 Y -0.001394 0.026575 0.021053 0.005245 -0.020691 36 C 3 Z 0.022718 -0.112917 -0.055674 0.104466 0.281371 37 C 3 X 0.083040 0.022719 -0.005230 -0.013118 -0.016345 38 C 3 Y 0.019191 0.029652 0.047919 -0.006146 -0.016194 39 C 3 Z 0.009115 -0.077967 -0.041757 0.069271 0.231773 40 C 3 XX -0.012151 -0.001175 0.000237 0.002348 -0.000145 41 C 3 YY 0.012266 -0.000940 0.002455 -0.001592 0.003740 42 C 3 ZZ -0.000116 0.002115 -0.002691 -0.000756 -0.003594 43 C 3 XY 0.005630 0.002047 0.002830 -0.001093 -0.001338 44 C 3 XZ 0.001066 0.015230 0.001477 -0.006556 -0.010507 45 C 3 YZ 0.001937 -0.003163 -0.004991 0.002346 -0.007603 46 C 4 S 0.005797 0.003661 0.000160 0.000882 0.000822 47 C 4 S 0.016698 0.004459 -0.005281 -0.016515 0.012636 48 C 4 S -0.077939 -0.049306 -0.026763 -0.039556 0.001515 49 C 4 X -0.185302 -0.036351 -0.030373 -0.001481 0.001771 50 C 4 Y 0.164720 -0.028848 0.009181 -0.031026 0.047869 51 C 4 Z 0.033518 0.090258 -0.106515 -0.010324 -0.070284 52 C 4 X -0.138459 -0.019935 -0.016128 -0.012610 0.021712 53 C 4 Y 0.150271 -0.033161 -0.016922 -0.042797 0.034013 54 C 4 Z 0.050544 0.079840 -0.038432 -0.002661 -0.046867 55 C 4 XX -0.012514 -0.001634 0.006609 0.002553 0.003505 56 C 4 YY -0.001760 -0.007151 0.009809 0.000406 0.007305 57 C 4 ZZ 0.014274 0.008785 -0.016418 -0.002959 -0.010810 58 C 4 XY 0.026000 0.002988 -0.002566 0.003259 0.002453 59 C 4 XZ 0.008840 0.006011 0.013126 -0.004029 -0.011320 60 C 4 YZ -0.012452 0.005566 -0.011162 -0.003643 -0.010900 61 S 5 S -0.001230 -0.000329 -0.000104 0.000044 0.000353 62 S 5 S -0.006508 -0.001731 -0.000569 0.000252 0.002545 63 S 5 S 0.049395 0.013906 0.004551 -0.001585 0.004879 64 S 5 S 0.154389 0.039612 0.009670 -0.005069 -0.009509 65 S 5 X -0.004349 -0.000935 -0.000615 0.000039 -0.000131 66 S 5 Y 0.002552 0.000494 0.000456 -0.000030 -0.000195 67 S 5 Z 0.001081 -0.000248 -0.003143 0.000024 -0.000237 68 S 5 X 0.275857 0.068809 0.104015 -0.011137 -0.013753 69 S 5 Y -0.121989 -0.016254 -0.056097 0.002092 0.005154 70 S 5 Z -0.089341 0.039848 0.474435 0.000103 0.000305 71 S 5 X 0.216785 0.057290 0.105447 -0.007853 -0.012797 72 S 5 Y -0.076682 -0.012333 -0.056302 0.005448 0.004466 73 S 5 Z -0.065934 0.033160 0.479591 0.003498 -0.008277 74 S 5 XX -0.022162 -0.002965 -0.002330 0.000989 -0.002436 75 S 5 YY 0.002913 -0.003537 0.001426 0.000464 0.006366 76 S 5 ZZ 0.019249 0.006502 0.000905 -0.001453 -0.003930 77 S 5 XY 0.029979 0.003546 0.000019 0.000157 -0.000876 78 S 5 XZ 0.016972 -0.002188 -0.014573 0.000324 -0.004160 79 S 5 YZ -0.008384 -0.001369 -0.018453 0.000677 -0.009868 80 S 5 XX -0.003567 -0.000386 -0.000001 0.000161 -0.000452 81 S 5 YY 0.000216 -0.000789 0.000139 0.000053 0.001114 82 S 5 ZZ 0.003351 0.001175 -0.000139 -0.000214 -0.000663 83 S 5 XY 0.005717 0.000669 -0.000085 0.000049 -0.000110 84 S 5 XZ 0.002890 -0.000313 -0.001393 0.000037 -0.000680 85 S 5 YZ -0.001631 -0.000230 -0.002880 -0.000001 -0.001542 86 H 6 S -0.025265 0.003324 0.003409 0.002880 -0.009298 87 H 6 S -0.017752 0.000043 0.003404 0.002938 -0.006426 88 H 6 X -0.001145 0.000338 -0.000287 0.000170 0.000299 89 H 6 Y -0.001003 -0.000191 -0.000507 -0.000076 -0.000477 90 H 6 Z 0.000001 -0.001549 0.000244 0.001028 0.007842 91 C 7 S 0.002142 -0.000029 0.000275 -0.002577 0.000814 92 C 7 S -0.017726 -0.014063 -0.005677 -0.013904 0.004477 93 C 7 S -0.081729 -0.010301 -0.035801 0.017660 0.021593 94 C 7 X -0.159999 -0.014962 -0.017798 -0.059899 -0.036024 95 C 7 Y 0.142722 0.011917 0.023053 0.006707 0.007838 96 C 7 Z 0.028570 -0.039730 0.022176 -0.127309 -0.211299 97 C 7 X -0.101249 0.001699 -0.009627 -0.021881 -0.033193 98 C 7 Y 0.148610 0.014653 0.033243 0.004113 0.003642 99 C 7 Z 0.005483 -0.015072 0.017300 -0.111420 -0.186352 100 C 7 XX -0.013479 0.002378 -0.002781 0.000023 0.003594 101 C 7 YY 0.015582 -0.001722 0.003741 -0.000015 0.002947 102 C 7 ZZ -0.002104 -0.000656 -0.000960 -0.000008 -0.006541 103 C 7 XY 0.011374 0.002290 -0.000616 0.002388 -0.000434 104 C 7 XZ 0.004352 0.009862 0.001907 0.001781 0.018292 105 C 7 YZ -0.002695 0.023323 -0.004927 -0.013252 0.016522 106 C 8 S -0.001713 0.000154 -0.000349 -0.000149 0.000180 107 C 8 S 0.026444 0.000692 0.003655 0.006457 0.008711 108 C 8 S 0.062123 -0.000490 0.009834 0.015731 0.009721 109 C 8 X -0.081918 -0.016216 -0.004741 -0.024790 -0.008284 110 C 8 Y 0.007376 -0.024949 0.001920 -0.033676 -0.002958 111 C 8 Z -0.026850 0.189471 -0.024635 0.283830 -0.046926 112 C 8 X -0.059733 -0.006616 -0.001253 -0.022649 -0.008154 113 C 8 Y -0.010607 -0.012062 -0.001278 -0.025576 -0.000464 114 C 8 Z -0.025502 0.148488 -0.021389 0.227340 -0.036812 115 C 8 XX 0.008593 0.001746 0.000105 -0.000347 0.001432 116 C 8 YY -0.006649 0.002388 -0.000367 0.006246 -0.002009 117 C 8 ZZ -0.001945 -0.004135 0.000262 -0.005899 0.000577 118 C 8 XY 0.005497 0.000459 0.001075 0.000404 -0.000002 119 C 8 XZ 0.002529 -0.014916 0.003976 0.014395 -0.009983 120 C 8 YZ 0.002083 -0.013606 0.000458 -0.030939 0.008142 121 C 9 S -0.001683 -0.000780 -0.001428 0.000696 0.000244 122 C 9 S -0.003301 -0.000858 0.013679 0.006121 0.015692 123 C 9 S 0.032673 0.017733 0.055921 0.008526 0.017544 124 C 9 X 0.143487 -0.005009 0.025677 0.020482 0.002955 125 C 9 Y -0.144143 0.023322 -0.059828 -0.023812 -0.039995 126 C 9 Z -0.022844 -0.090117 0.043769 -0.036250 0.069156 127 C 9 X 0.074518 -0.010596 -0.001343 0.048394 0.004598 128 C 9 Y -0.106653 -0.032684 -0.057768 -0.028253 -0.045107 129 C 9 Z -0.026685 -0.054609 0.036861 -0.018762 0.058100 130 C 9 XX -0.014482 -0.001940 -0.002982 -0.002008 0.005055 131 C 9 YY 0.004340 -0.008375 0.006132 -0.007032 0.007875 132 C 9 ZZ 0.010142 0.010315 -0.003150 0.009041 -0.012931 133 C 9 XY 0.013561 0.000142 0.002327 -0.002774 -0.001941 134 C 9 XZ 0.005424 0.003654 -0.001776 0.016581 0.005124 135 C 9 YZ -0.012017 0.004270 -0.001608 0.011175 -0.010770 136 C 10 S 0.001327 -0.000412 -0.000276 0.000058 -0.001665 137 C 10 S 0.003929 -0.004724 -0.004319 0.009317 -0.005624 138 C 10 S 0.000162 0.020142 0.005349 0.009089 0.022886 139 C 10 X 0.067167 -0.034827 -0.000595 0.017796 -0.034957 140 C 10 Y -0.022806 -0.000295 0.006240 0.006669 -0.015646 141 C 10 Z -0.017092 -0.184744 0.007149 -0.009064 -0.249853 142 C 10 X 0.119241 -0.038481 0.032457 0.005869 -0.064245 143 C 10 Y -0.037179 0.001044 0.001150 0.009355 -0.019853 144 C 10 Z -0.015652 -0.140878 0.006642 0.009371 -0.213445 145 C 10 XX -0.015452 -0.000845 -0.001257 -0.005014 -0.004883 146 C 10 YY 0.014337 -0.000490 0.001796 0.002517 0.001047 147 C 10 ZZ 0.001114 0.001335 -0.000539 0.002497 0.003836 148 C 10 XY 0.010687 -0.002306 0.001446 0.000938 -0.001575 149 C 10 XZ 0.003152 -0.001192 0.001249 -0.006520 -0.010468 150 C 10 YZ -0.001547 0.012757 0.002813 -0.013021 -0.016881 151 C 11 S -0.000063 -0.000496 0.000475 0.000379 0.000382 152 C 11 S -0.001372 0.002203 -0.003601 0.001474 0.003651 153 C 11 S 0.023419 0.013985 -0.037624 -0.008458 -0.010567 154 C 11 X -0.070267 0.002490 -0.016870 0.000114 0.001725 155 C 11 Y 0.059784 0.005728 0.002623 0.002486 0.008476 156 C 11 Z 0.000009 -0.215353 -0.041711 0.114479 0.150167 157 C 11 X -0.106518 -0.010447 -0.051108 0.008123 0.024990 158 C 11 Y -0.002844 -0.005119 0.002021 0.011770 -0.001832 159 C 11 Z -0.005132 -0.147756 -0.030652 0.088317 0.126588 160 C 11 XX 0.000405 0.002336 0.002638 -0.000974 -0.004504 161 C 11 YY 0.000477 -0.001738 -0.002438 0.000220 0.002795 162 C 11 ZZ -0.000882 -0.000598 -0.000201 0.000754 0.001709 163 C 11 XY 0.009192 -0.000406 0.003318 0.000827 -0.004375 164 C 11 XZ 0.000346 -0.003784 -0.002982 0.005261 0.018214 165 C 11 YZ -0.001417 -0.008838 0.002408 -0.002411 -0.024981 166 C 12 S -0.002733 0.002245 -0.000436 -0.000806 0.001015 167 C 12 S -0.021621 0.003129 -0.000057 -0.007731 -0.008468 168 C 12 S 0.045420 -0.038591 0.021800 -0.002259 -0.055592 169 C 12 X -0.099608 0.012418 -0.003047 -0.015545 -0.003189 170 C 12 Y -0.017405 0.007595 -0.001706 0.002560 0.009208 171 C 12 Z -0.007574 -0.002528 -0.000172 0.004554 -0.014960 172 C 12 X -0.010155 0.001560 0.004077 -0.014404 -0.011284 173 C 12 Y -0.026810 0.014221 -0.005907 -0.007068 0.020135 174 C 12 Z -0.004984 0.012626 -0.002916 -0.009468 0.002137 175 C 12 XX -0.004301 -0.001886 0.000759 -0.000660 -0.005615 176 C 12 YY 0.002613 -0.006721 -0.000488 0.001578 -0.003966 177 C 12 ZZ 0.001688 0.008607 -0.000271 -0.000917 0.009581 178 C 12 XY 0.005399 0.000185 0.000498 -0.000251 -0.001505 179 C 12 XZ 0.002473 -0.011392 0.000628 0.000283 -0.016796 180 C 12 YZ 0.002531 0.004778 0.000328 -0.000500 0.004758 181 C 13 S -0.000592 -0.003553 0.000167 0.002049 -0.002301 182 C 13 S 0.000579 -0.021199 -0.002993 0.008659 -0.008750 183 C 13 S 0.011828 0.011227 -0.009810 -0.013246 0.016718 184 C 13 X -0.004055 -0.015993 -0.004333 0.004579 -0.002335 185 C 13 Y 0.077932 -0.004514 0.012050 -0.004543 -0.026918 186 C 13 Z 0.008556 -0.011273 -0.001558 0.003927 -0.005993 187 C 13 X 0.004808 0.002970 -0.004151 -0.004175 0.007574 188 C 13 Y 0.019991 0.001963 0.003026 -0.008018 -0.014518 189 C 13 Z 0.001816 -0.004971 -0.000485 0.002750 -0.003893 190 C 13 XX -0.001852 0.004294 0.000816 -0.002289 0.001096 191 C 13 YY 0.001186 -0.002298 -0.000858 0.001127 0.000111 192 C 13 ZZ 0.000666 -0.001997 0.000042 0.001163 -0.001207 193 C 13 XY 0.003002 0.000843 0.000504 -0.001381 0.000169 194 C 13 XZ 0.000280 -0.002554 -0.000355 0.000933 -0.001012 195 C 13 YZ 0.004022 -0.000381 0.000346 0.000015 -0.000645 196 C 14 S 0.003453 0.001362 0.000728 -0.000951 -0.000332 197 C 14 S 0.005906 0.000620 0.005166 0.000228 -0.005410 198 C 14 S -0.081551 -0.029900 -0.014246 0.021231 -0.001586 199 C 14 X 0.058101 0.004988 0.019283 -0.005242 -0.020609 200 C 14 Y -0.015719 -0.006408 -0.000195 0.004392 -0.000879 201 C 14 Z 0.011344 -0.004375 0.001187 0.003739 0.007551 202 C 14 X -0.000334 -0.000862 0.001548 0.004264 -0.000206 203 C 14 Y -0.031413 -0.011466 -0.005399 0.007314 -0.000110 204 C 14 Z 0.006267 0.002556 -0.000443 0.000481 0.010593 205 C 14 XX -0.003614 -0.000149 -0.000028 0.000176 0.001112 206 C 14 YY 0.002058 -0.004631 -0.000549 0.001937 0.000600 207 C 14 ZZ 0.001556 0.004779 0.000576 -0.002112 -0.001712 208 C 14 XY 0.008430 0.002065 0.001576 -0.001207 -0.000861 209 C 14 XZ -0.002392 -0.012186 -0.002392 0.006642 0.009097 210 C 14 YZ 0.003129 -0.011037 -0.001442 0.005539 0.004876 211 F 15 S 0.000194 -0.000080 -0.000003 -0.000345 -0.000216 212 F 15 S 0.001839 0.006274 -0.000378 -0.000734 0.010727 213 F 15 S 0.000768 0.011776 -0.001066 0.003000 0.025216 214 F 15 X 0.052356 0.033910 0.000445 0.009287 0.036746 215 F 15 Y 0.008919 -0.028403 -0.000249 0.006118 -0.011294 216 F 15 Z 0.000942 -0.027639 0.001052 -0.000037 -0.030651 217 F 15 X 0.041948 0.028348 0.000285 0.008009 0.033652 218 F 15 Y 0.009630 -0.023656 0.000238 0.004853 -0.012103 219 F 15 Z 0.002382 -0.020261 0.001319 -0.000417 -0.024314 220 F 15 XX -0.000366 -0.000261 0.000031 -0.000098 -0.000505 221 F 15 YY -0.000028 -0.000173 -0.000030 -0.000026 0.000199 222 F 15 ZZ 0.000393 0.000435 -0.000001 0.000124 0.000306 223 F 15 XY 0.000086 0.000079 -0.000003 -0.000141 0.000002 224 F 15 XZ 0.000189 -0.000789 0.000032 -0.000056 -0.000406 225 F 15 YZ 0.000109 0.000418 0.000022 -0.000086 0.000009 226 F 16 S -0.000241 -0.000371 0.000054 -0.000027 -0.000242 227 F 16 S 0.001244 -0.002533 -0.000049 -0.000699 -0.004581 228 F 16 S 0.006376 0.000925 -0.000665 -0.001577 -0.006524 229 F 16 X 0.048049 -0.022672 0.000364 -0.001492 -0.018296 230 F 16 Y 0.012625 0.015634 0.001912 -0.002700 0.012534 231 F 16 Z 0.007277 0.001872 0.000515 0.007167 0.009455 232 F 16 X 0.038530 -0.018099 0.000320 0.000367 -0.015228 233 F 16 Y 0.010441 0.008218 0.001919 -0.000808 0.007352 234 F 16 Z 0.007450 0.002373 0.000660 0.005430 0.008127 235 F 16 XX -0.000166 -0.000015 0.000022 0.000019 0.000030 236 F 16 YY 0.000123 -0.000107 -0.000033 -0.000096 -0.000059 237 F 16 ZZ 0.000043 0.000122 0.000010 0.000077 0.000028 238 F 16 XY 0.000251 -0.000012 0.000059 0.000236 -0.000169 239 F 16 XZ -0.000088 -0.000089 -0.000022 -0.000277 -0.000419 240 F 16 YZ -0.000204 0.000050 -0.000040 -0.000229 0.000074 241 F 17 S -0.000160 -0.000234 -0.000032 0.000105 0.000046 242 F 17 S 0.001756 -0.004147 -0.000978 0.002922 0.006049 243 F 17 S 0.004916 -0.003968 -0.001772 0.004005 0.013057 244 F 17 X -0.017710 -0.028364 -0.011773 0.017568 0.026677 245 F 17 Y 0.015794 -0.027170 -0.004369 0.012942 0.014420 246 F 17 Z 0.002950 0.001408 -0.000043 -0.000771 -0.001314 247 F 17 X -0.014143 -0.023132 -0.009546 0.014302 0.022389 248 F 17 Y 0.014775 -0.018326 -0.002917 0.008972 0.012596 249 F 17 Z 0.000514 0.002919 0.000123 -0.001338 -0.001318 250 F 17 XX -0.000139 0.000094 0.000060 -0.000099 -0.000370 251 F 17 YY 0.000039 -0.000271 -0.000074 0.000138 0.000202 252 F 17 ZZ 0.000101 0.000177 0.000014 -0.000039 0.000168 253 F 17 XY 0.000445 -0.000140 0.000103 0.000021 -0.000178 254 F 17 XZ 0.000227 -0.000418 -0.000021 0.000237 0.000292 255 F 17 YZ 0.000091 -0.000048 -0.000043 0.000044 0.000140 256 F 18 S -0.000182 -0.000113 -0.000058 0.000076 0.000113 257 F 18 S 0.000379 0.006864 0.001104 -0.004294 -0.005993 258 F 18 S 0.003582 0.013692 0.002864 -0.009449 -0.014792 259 F 18 X -0.023134 0.044061 0.001336 -0.020678 -0.021141 260 F 18 Y 0.006793 0.037034 0.004616 -0.016426 -0.008048 261 F 18 Z -0.009559 -0.018768 -0.003884 0.009927 0.008964 262 F 18 X -0.018656 0.035304 0.000787 -0.017199 -0.017852 263 F 18 Y 0.007856 0.030435 0.004293 -0.014161 -0.008152 264 F 18 Z -0.008828 -0.012475 -0.003014 0.007098 0.006909 265 F 18 XX 0.000063 -0.000241 -0.000020 0.000147 0.000267 266 F 18 YY -0.000056 0.000042 0.000024 -0.000029 -0.000196 267 F 18 ZZ -0.000006 0.000198 -0.000004 -0.000118 -0.000071 268 F 18 XY 0.000197 0.000200 0.000107 -0.000062 -0.000125 269 F 18 XZ -0.000302 -0.000880 -0.000248 0.000423 0.000547 270 F 18 YZ 0.000043 -0.000582 -0.000054 0.000201 -0.000006 271 C 19 S -0.000927 0.000073 -0.000116 -0.000041 -0.000252 272 C 19 S -0.001348 -0.002141 0.000505 0.000356 -0.003230 273 C 19 S 0.016883 -0.007872 0.002485 0.002341 -0.001271 274 C 19 X 0.018926 0.010841 -0.001183 0.004724 0.005377 275 C 19 Y 0.006877 0.014834 -0.000411 0.008129 0.005673 276 C 19 Z 0.014825 -0.096487 0.012489 -0.064002 -0.001534 277 C 19 X 0.015326 0.007640 -0.000166 0.004023 0.003360 278 C 19 Y -0.000725 0.011128 -0.001131 0.004183 0.004436 279 C 19 Z 0.011786 -0.070006 0.011934 -0.033855 -0.013154 280 C 19 XX 0.003086 0.000670 0.000034 0.000565 0.000397 281 C 19 YY -0.003661 0.002491 -0.000587 0.003351 -0.000943 282 C 19 ZZ 0.000574 -0.003160 0.000552 -0.003916 0.000547 283 C 19 XY 0.000231 0.000543 -0.000102 0.001283 -0.000309 284 C 19 XZ 0.000195 -0.001242 0.000222 -0.003051 0.000390 285 C 19 YZ 0.001460 -0.015292 0.001977 -0.019279 0.002697 286 H 20 S 0.017858 0.004943 -0.000921 0.001885 0.003039 287 H 20 S 0.008745 0.003632 -0.000650 0.000502 0.003256 288 H 20 X -0.000839 -0.000079 0.000024 -0.000061 -0.000011 289 H 20 Y -0.000182 0.000453 -0.000063 0.000134 0.000199 290 H 20 Z 0.000206 -0.002582 0.000292 -0.001436 -0.000074 291 H 21 S -0.013340 0.085765 -0.009793 0.078387 -0.006162 292 H 21 S -0.010138 0.040884 -0.003239 0.069028 -0.021942 293 H 21 X 0.000726 0.001176 -0.000172 -0.000221 0.000727 294 H 21 Y 0.001044 -0.003511 0.000288 -0.003561 0.000885 295 H 21 Z -0.000245 0.001628 -0.000107 0.000952 -0.000036 296 C 22 S 0.000259 0.000156 -0.000193 -0.000014 -0.000108 297 C 22 S -0.014644 -0.002170 -0.004463 -0.000080 -0.001530 298 C 22 S -0.016930 -0.006018 -0.002864 -0.000946 -0.000828 299 C 22 X -0.004368 0.003188 -0.006084 0.001019 0.001342 300 C 22 Y -0.058648 -0.003270 -0.006848 -0.000543 -0.004644 301 C 22 Z 0.008430 -0.004206 -0.080669 -0.001295 -0.006327 302 C 22 X -0.008048 0.002637 -0.004576 0.000976 0.001133 303 C 22 Y -0.024465 -0.000233 0.001543 -0.000974 -0.003690 304 C 22 Z 0.006409 -0.002768 -0.067840 -0.000698 -0.010180 305 C 22 XX 0.002026 0.000576 -0.000253 0.000034 -0.000498 306 C 22 YY -0.001008 -0.000660 -0.000461 -0.000123 -0.000301 307 C 22 ZZ -0.001018 0.000084 0.000714 0.000088 0.000799 308 C 22 XY 0.002860 -0.000318 0.001625 0.000041 0.000988 309 C 22 XZ 0.001066 -0.000702 -0.008814 0.000331 -0.003650 310 C 22 YZ -0.000752 0.000524 0.006774 -0.000267 0.004710 311 H 23 S 0.038604 -0.000861 0.010086 -0.000404 0.001973 312 H 23 S 0.021164 0.000468 0.008602 -0.000365 0.001522 313 H 23 X 0.002326 0.000181 0.000345 -0.000028 0.000047 314 H 23 Y 0.000501 -0.000201 0.000447 0.000006 -0.000062 315 H 23 Z 0.000334 -0.000196 -0.002218 -0.000031 0.000110 316 H 24 S 0.004467 -0.002466 -0.068031 0.001009 -0.011955 317 H 24 S 0.009936 -0.000083 -0.017952 0.002252 -0.011554 318 H 24 X -0.000253 0.000169 0.002849 0.000076 0.000220 319 H 24 Y -0.001082 0.000106 -0.000334 -0.000129 -0.000772 320 H 24 Z -0.000089 -0.000055 0.001496 -0.000003 -0.000077 321 H 25 S -0.013514 0.005440 0.061344 0.000201 0.012438 322 H 25 S 0.001550 0.004712 0.017256 -0.002299 0.010191 323 H 25 X 0.000673 -0.000070 -0.002326 -0.000065 -0.000216 324 H 25 Y -0.001141 -0.000060 -0.000415 0.000022 0.000452 325 H 25 Z -0.000650 0.000134 0.001282 0.000058 -0.000031 326 C 26 S -0.000188 -0.001110 -0.000816 -0.001141 0.000609 327 C 26 S 0.006538 0.012957 0.006774 0.023394 -0.022973 328 C 26 S -0.003124 0.019537 0.018738 0.054480 -0.043718 329 C 26 X -0.057808 0.059103 0.044130 0.021344 -0.007186 330 C 26 Y 0.039789 0.066327 -0.021405 0.015484 -0.032836 331 C 26 Z 0.045181 0.075020 -0.028838 0.051997 -0.072697 332 C 26 X -0.039253 0.030555 0.034619 0.012508 -0.010996 333 C 26 Y 0.022698 0.046858 -0.005209 0.011422 -0.015687 334 C 26 Z 0.022687 0.037610 -0.023606 0.034325 -0.059311 335 C 26 XX -0.004885 -0.002198 0.001946 -0.000902 0.004458 336 C 26 YY 0.000909 -0.003004 -0.001495 -0.002671 -0.000994 337 C 26 ZZ 0.003976 0.005202 -0.000451 0.003573 -0.003465 338 C 26 XY 0.004405 -0.004211 0.000431 -0.005207 -0.000539 339 C 26 XZ 0.007636 -0.001737 -0.000652 -0.000659 -0.000342 340 C 26 YZ -0.005665 0.001585 -0.000685 0.000392 0.000004 341 H 27 S 0.011215 -0.082854 -0.005439 -0.038181 0.018610 342 H 27 S 0.005249 -0.034965 -0.005397 -0.030662 0.008677 343 H 27 X -0.001650 -0.004746 0.000027 -0.000545 0.000803 344 H 27 Y 0.001992 -0.003477 -0.000694 -0.000405 0.001693 345 H 27 Z 0.001152 0.000500 -0.001082 0.001144 -0.002324 346 H 28 S 0.035494 0.008213 -0.006028 0.000902 -0.006979 347 H 28 S 0.015543 -0.014257 -0.000750 -0.004039 -0.006026 348 H 28 X -0.001369 0.002133 0.001113 -0.000925 -0.000138 349 H 28 Y 0.000021 -0.000449 -0.000219 -0.000071 -0.000585 350 H 28 Z 0.003054 0.001807 -0.000424 0.001460 -0.002099 351 H 29 S -0.080872 0.013608 0.040850 0.012696 0.020784 352 H 29 S -0.032103 0.011501 -0.001647 -0.004591 0.022080 353 H 29 X 0.003176 0.000640 -0.003264 -0.000173 -0.000813 354 H 29 Y -0.001310 0.002246 0.002453 0.000245 -0.000347 355 H 29 Z -0.001310 0.002269 -0.000432 0.000945 -0.001734 356 C 30 S -0.000755 0.000087 0.001251 0.000669 0.001316 357 C 30 S 0.012325 0.018068 -0.035926 -0.016093 -0.019273 358 C 30 S 0.008267 0.014376 -0.074582 -0.029222 -0.037637 359 C 30 X 0.071621 -0.054979 -0.042944 -0.021269 0.001296 360 C 30 Y -0.061159 -0.006578 0.053931 -0.001699 0.044876 361 C 30 Z -0.051558 -0.075892 0.100786 0.021718 0.066434 362 C 30 X 0.058930 -0.026064 -0.020169 -0.022269 0.000005 363 C 30 Y -0.049348 0.004641 0.033254 0.002018 0.031790 364 C 30 Z -0.030317 -0.043323 0.058987 0.003332 0.053334 365 C 30 XX -0.005660 -0.003099 0.006205 0.001094 0.004011 366 C 30 YY -0.000444 -0.002118 0.001414 0.001440 -0.000649 367 C 30 ZZ 0.006103 0.005217 -0.007619 -0.002534 -0.003362 368 C 30 XY 0.007219 -0.002532 -0.006185 0.000493 0.003446 369 C 30 XZ 0.008706 0.000153 -0.001789 -0.001369 -0.000251 370 C 30 YZ -0.006331 0.002737 -0.001401 -0.000816 -0.000202 371 H 31 S 0.043262 -0.025451 -0.013317 0.002478 -0.013689 372 H 31 S 0.026685 -0.013924 0.006873 0.003332 -0.000585 373 H 31 X 0.001595 -0.001363 -0.000240 -0.000660 -0.000614 374 H 31 Y 0.001184 -0.001879 -0.000942 -0.000352 -0.000537 375 H 31 Z -0.003917 -0.000624 0.002965 0.000913 0.001838 376 H 32 S -0.106428 0.021672 0.076166 0.010634 0.013504 377 H 32 S -0.051956 0.013361 0.045830 0.008533 0.006513 378 H 32 X -0.003777 0.001966 0.003311 0.000250 0.001908 379 H 32 Y 0.002150 -0.001233 -0.001080 -0.000592 -0.001013 380 H 32 Z 0.002926 -0.002422 0.001429 0.000242 0.001869 381 H 33 S 0.023481 -0.049412 -0.004222 -0.007318 0.031301 382 H 33 S 0.013319 -0.022454 0.007531 0.018667 0.013180 383 H 33 X 0.000374 0.001705 -0.000705 0.000593 -0.001242 384 H 33 Y -0.002722 0.002625 0.001037 0.001643 -0.000074 385 H 33 Z -0.001849 -0.001402 0.002207 0.000063 0.002108 386 H 34 S 0.009250 -0.086375 0.011461 -0.078344 0.005946 387 H 34 S -0.001075 -0.040621 0.002839 -0.070658 0.021960 388 H 34 X 0.000915 -0.001077 0.000268 0.000285 -0.000402 389 H 34 Y 0.000114 0.003363 -0.000246 0.003375 -0.000486 390 H 34 Z -0.000108 0.002319 -0.000294 0.001744 -0.000145 391 F 35 S -0.000002 0.000169 0.000003 -0.000031 0.000037 392 F 35 S -0.000160 0.001974 0.000431 -0.001022 0.000784 393 F 35 S 0.000177 0.001198 0.000654 -0.001424 0.000951 394 F 35 X 0.000068 0.019066 0.004393 -0.007060 0.003366 395 F 35 Y -0.042710 0.002506 -0.006096 0.002344 0.011305 396 F 35 Z -0.003291 0.008037 0.000337 -0.001156 0.002076 397 F 35 X 0.000106 0.012923 0.003560 -0.004709 0.001884 398 F 35 Y -0.035031 0.001685 -0.004957 0.002083 0.009826 399 F 35 Z -0.003406 0.006944 0.000454 -0.001751 0.002047 400 F 35 XX -0.000027 0.000125 0.000032 0.000020 -0.000029 401 F 35 YY 0.000033 -0.000117 -0.000025 0.000011 -0.000029 402 F 35 ZZ -0.000006 -0.000008 -0.000008 -0.000031 0.000057 403 F 35 XY 0.000282 -0.000012 0.000084 -0.000024 -0.000302 404 F 35 XZ 0.000016 -0.000030 -0.000024 -0.000009 -0.000043 405 F 35 YZ -0.000041 0.000007 -0.000012 -0.000017 0.000017 406 F 36 S 0.000148 0.000276 -0.000073 -0.000203 0.000177 407 F 36 S 0.000218 -0.002729 -0.000059 0.000850 -0.001742 408 F 36 S -0.001654 -0.008904 0.001138 0.004828 -0.006518 409 F 36 X 0.000879 -0.024874 -0.000559 0.006437 -0.008614 410 F 36 Y -0.034828 -0.000270 -0.003969 0.000640 0.000398 411 F 36 Z -0.003020 -0.001589 0.000854 0.001299 -0.001503 412 F 36 X 0.000594 -0.019551 -0.000336 0.005167 -0.007147 413 F 36 Y -0.028971 0.000107 -0.003433 0.000620 0.001244 414 F 36 Z -0.003215 -0.002679 0.001031 0.001977 -0.002408 415 F 36 XX 0.000022 0.000439 0.000011 -0.000158 0.000219 416 F 36 YY -0.000090 -0.000074 -0.000042 0.000039 0.000042 417 F 36 ZZ 0.000068 -0.000365 0.000031 0.000119 -0.000261 418 F 36 XY 0.000030 0.000107 -0.000020 0.000015 0.000327 419 F 36 XZ -0.000047 -0.000529 -0.000057 0.000127 -0.000097 420 F 36 YZ 0.000406 -0.000046 0.000088 -0.000042 -0.000319 421 C 37 S 0.000413 -0.000840 -0.000233 0.000146 0.000033 422 C 37 S -0.011209 -0.000041 -0.000756 0.005875 0.001080 423 C 37 S -0.019037 0.028647 0.005990 0.006399 0.009450 424 C 37 X -0.005665 -0.002757 -0.002013 -0.019436 -0.003882 425 C 37 Y -0.032076 -0.015982 -0.003576 -0.058274 0.013549 426 C 37 Z -0.028980 0.123177 -0.002697 0.336705 -0.077919 427 C 37 X -0.004626 -0.018377 -0.004248 -0.011715 -0.005586 428 C 37 Y -0.019069 -0.016489 -0.006900 -0.040459 0.013784 429 C 37 Z -0.017084 0.084845 -0.003858 0.290418 -0.090023 430 C 37 XX -0.007001 0.001394 -0.002498 -0.001049 -0.000966 431 C 37 YY 0.006456 -0.005160 0.003074 -0.004095 0.003468 432 C 37 ZZ 0.000545 0.003766 -0.000576 0.005144 -0.002502 433 C 37 XY -0.002314 -0.000110 0.000611 -0.000129 -0.000362 434 C 37 XZ 0.000750 -0.004154 -0.000300 -0.009159 0.000281 435 C 37 YZ -0.001014 0.015466 -0.002261 0.023401 -0.006216 436 S 38 S 0.001780 0.000141 0.000164 0.000205 0.000269 437 S 38 S 0.010264 0.000962 0.000925 0.001309 0.001785 438 S 38 S -0.045370 0.000828 -0.003299 -0.001278 0.000586 439 S 38 S -0.176297 -0.007158 -0.018502 -0.015340 -0.011206 440 S 38 X -0.000070 0.000057 0.000022 0.000122 0.000057 441 S 38 Y 0.002629 0.000266 0.000357 0.000348 0.000071 442 S 38 Z 0.000210 -0.001776 0.000310 0.000605 0.000182 443 S 38 X 0.103641 -0.006026 0.009987 0.015039 -0.001383 444 S 38 Y -0.185568 -0.011961 -0.026775 0.002647 -0.017868 445 S 38 Z -0.039134 0.313644 -0.076002 -0.259515 0.181721 446 S 38 X 0.078558 -0.006085 0.011753 0.011305 -0.002707 447 S 38 Y -0.132645 -0.007806 -0.019075 0.004261 -0.018530 448 S 38 Z -0.036151 0.285547 -0.076739 -0.284729 0.229258 449 S 38 XX 0.009202 0.000629 0.000470 0.002988 0.003746 450 S 38 YY 0.009897 -0.000532 0.002070 -0.004258 -0.001382 451 S 38 ZZ -0.019098 -0.000097 -0.002539 0.001269 -0.002363 452 S 38 XY 0.008797 -0.001544 0.001529 0.001995 0.003052 453 S 38 XZ -0.001232 0.025308 -0.004055 0.023295 0.004230 454 S 38 YZ 0.000525 -0.007850 -0.000236 0.015342 0.017629 455 S 38 XX 0.001608 0.000095 0.000025 0.000514 0.000620 456 S 38 YY 0.002042 -0.000052 0.000443 -0.000620 -0.000233 457 S 38 ZZ -0.003650 -0.000043 -0.000468 0.000106 -0.000387 458 S 38 XY 0.001990 -0.000276 0.000405 0.000234 0.000570 459 S 38 XZ -0.000146 0.003631 -0.000514 0.004257 0.000334 460 S 38 YZ 0.000085 -0.000859 -0.000180 0.002197 0.003234 461 H 39 S -0.008809 -0.000274 -0.003636 -0.010822 -0.005533 462 H 39 S 0.002892 0.006723 -0.001687 -0.007424 -0.002643 463 H 39 X -0.000575 0.000452 -0.000303 0.000362 0.000316 464 H 39 Y 0.000357 -0.000525 0.000533 -0.002484 0.000411 465 H 39 Z -0.000681 0.004218 0.000510 0.011981 -0.002851 101 102 103 1.8960 0.1042 0.0428 A A A 1 C 1 S -0.000228 -0.000934 -0.000221 2 C 1 S -0.003851 -0.001452 0.005516 3 C 1 S -0.017040 0.001469 0.002957 4 C 1 X 0.029380 0.039414 0.004915 5 C 1 Y -0.018665 -0.018373 -0.009289 6 C 1 Z 0.345994 0.484886 0.192919 7 C 1 X 0.032876 0.035252 0.004178 8 C 1 Y -0.016059 -0.006455 -0.002326 9 C 1 Z 0.264867 0.525254 0.200667 10 C 1 XX -0.005006 0.001177 -0.001611 11 C 1 YY 0.000324 0.000032 0.003039 12 C 1 ZZ 0.004683 -0.001209 -0.001428 13 C 1 XY 0.001716 -0.001709 -0.001645 14 C 1 XZ -0.028135 0.009768 0.010185 15 C 1 YZ 0.004922 -0.001872 -0.001325 16 C 2 S -0.001412 0.000388 0.000406 17 C 2 S -0.001952 -0.002095 -0.008963 18 C 2 S 0.027925 -0.023992 -0.025479 19 C 2 X 0.012427 -0.020562 -0.016987 20 C 2 Y -0.021407 0.022001 0.012496 21 C 2 Z 0.345410 -0.349604 -0.347977 22 C 2 X 0.029567 -0.020126 -0.010611 23 C 2 Y -0.007676 0.009933 0.012132 24 C 2 Z 0.266053 -0.382557 -0.386499 25 C 2 XX 0.002578 0.002381 0.003387 26 C 2 YY 0.000102 0.003298 -0.001139 27 C 2 ZZ -0.002680 -0.005680 -0.002247 28 C 2 XY -0.000739 0.000279 -0.002543 29 C 2 XZ 0.025603 0.026874 0.000888 30 C 2 YZ -0.003782 -0.020274 0.013116 31 C 3 S 0.000107 -0.000227 0.002136 32 C 3 S -0.005414 0.000708 0.004159 33 C 3 S -0.018391 0.007511 -0.017531 34 C 3 X 0.000696 0.008585 -0.033410 35 C 3 Y 0.002571 0.002103 -0.025274 36 C 3 Z -0.060407 -0.122050 0.327506 37 C 3 X -0.031604 -0.000888 -0.044268 38 C 3 Y 0.009318 -0.011287 -0.038891 39 C 3 Z -0.094542 -0.123950 0.475779 40 C 3 XX -0.001234 -0.000376 0.002122 41 C 3 YY 0.000297 -0.000371 -0.003732 42 C 3 ZZ 0.000936 0.000747 0.001610 43 C 3 XY -0.002174 0.001344 0.000562 44 C 3 XZ 0.021435 -0.017781 0.000535 45 C 3 YZ -0.027237 0.031089 0.018515 46 C 4 S -0.001651 0.000005 -0.002064 47 C 4 S -0.017802 0.010920 -0.027179 48 C 4 S -0.013716 0.049719 -0.056727 49 C 4 X -0.000301 -0.010212 -0.026109 50 C 4 Y -0.013551 0.024724 -0.047112 51 C 4 Z 0.025977 0.009309 0.011230 52 C 4 X -0.012521 -0.024573 -0.042258 53 C 4 Y -0.054470 0.027430 -0.044899 54 C 4 Z 0.045507 -0.005835 0.012326 55 C 4 XX -0.004588 -0.004817 0.005543 56 C 4 YY -0.002584 -0.004659 0.008429 57 C 4 ZZ 0.007173 0.009476 -0.013972 58 C 4 XY 0.001367 0.002249 0.000367 59 C 4 XZ -0.001557 0.001192 -0.017720 60 C 4 YZ 0.007011 0.008336 -0.015161 61 S 5 S 0.000070 -0.000502 -0.000026 62 S 5 S 0.000615 -0.003754 0.000458 63 S 5 S 0.004518 -0.008856 0.015843 64 S 5 S 0.001747 0.004537 0.033718 65 S 5 X 0.000098 0.000266 -0.000227 66 S 5 Y -0.000022 0.000149 0.000125 67 S 5 Z -0.000359 -0.000865 -0.000936 68 S 5 X -0.022972 -0.000399 -0.035859 69 S 5 Y 0.016596 0.005395 0.033410 70 S 5 Z -0.157098 -0.107748 -0.036567 71 S 5 X -0.029141 -0.012748 -0.052515 72 S 5 Y 0.023684 0.013807 0.046815 73 S 5 Z -0.225457 -0.201945 -0.067786 74 S 5 XX -0.002604 -0.004471 0.001107 75 S 5 YY -0.000175 0.002774 -0.001152 76 S 5 ZZ 0.002778 0.001698 0.000044 77 S 5 XY -0.000093 -0.001619 0.001970 78 S 5 XZ -0.015122 -0.020879 -0.011143 79 S 5 YZ -0.022993 -0.043343 -0.010637 80 S 5 XX -0.000422 -0.000795 -0.000049 81 S 5 YY -0.000139 0.000442 -0.000124 82 S 5 ZZ 0.000561 0.000352 0.000173 83 S 5 XY -0.000022 -0.000103 0.000329 84 S 5 XZ -0.003080 -0.003967 -0.001990 85 S 5 YZ -0.003923 -0.007693 -0.002419 86 H 6 S 0.002972 0.009673 0.000805 87 H 6 S 0.011668 0.003482 -0.004355 88 H 6 X 0.000222 -0.000575 -0.000570 89 H 6 Y -0.000799 0.000746 0.000774 90 H 6 Z 0.011816 -0.011502 -0.010777 91 C 7 S -0.000393 0.000177 -0.001437 92 C 7 S -0.004189 0.005802 -0.005544 93 C 7 S -0.018486 0.027797 0.010393 94 C 7 X 0.028975 -0.030760 0.065585 95 C 7 Y -0.001311 -0.001231 -0.007846 96 C 7 Z 0.135897 -0.145980 0.301072 97 C 7 X 0.052025 -0.052934 0.150942 98 C 7 Y 0.005388 -0.005896 -0.025722 99 C 7 Z 0.127988 -0.186429 0.412496 100 C 7 XX -0.001857 0.001796 -0.000889 101 C 7 YY -0.001575 -0.000984 0.003371 102 C 7 ZZ 0.003432 -0.000812 -0.002482 103 C 7 XY 0.000037 0.000378 -0.000265 104 C 7 XZ -0.009012 -0.000590 0.013373 105 C 7 YZ -0.007155 0.000242 0.008791 106 C 8 S -0.000164 0.000152 -0.000149 107 C 8 S -0.005006 0.003748 -0.007118 108 C 8 S -0.011590 0.014082 -0.020653 109 C 8 X 0.007509 -0.010302 0.024769 110 C 8 Y 0.000980 -0.000841 -0.000435 111 C 8 Z 0.015073 0.016214 -0.039552 112 C 8 X 0.008172 -0.016732 0.036357 113 C 8 Y 0.001851 -0.006626 0.009249 114 C 8 Z 0.009587 0.021362 -0.048861 115 C 8 XX -0.000885 0.000229 -0.000477 116 C 8 YY 0.000899 0.000231 -0.000301 117 C 8 ZZ -0.000013 -0.000460 0.000778 118 C 8 XY 0.000044 -0.000666 0.001144 119 C 8 XZ 0.004956 -0.003500 0.006020 120 C 8 YZ -0.003577 0.002952 -0.006056 121 C 9 S -0.002160 0.000231 0.003710 122 C 9 S -0.013582 -0.010618 0.023960 123 C 9 S -0.000074 -0.028684 0.001149 124 C 9 X -0.002204 -0.006519 0.015339 125 C 9 Y 0.014688 0.026749 -0.049245 126 C 9 Z -0.027921 0.002561 -0.003732 127 C 9 X 0.004781 0.023802 0.052524 128 C 9 Y -0.018582 0.053727 -0.078189 129 C 9 Z -0.015577 0.012624 -0.030440 130 C 9 XX -0.004187 0.004584 -0.008225 131 C 9 YY -0.002535 0.003037 -0.009598 132 C 9 ZZ 0.006721 -0.007621 0.017823 133 C 9 XY 0.000863 -0.000573 -0.000083 134 C 9 XZ -0.003934 0.006421 -0.014026 135 C 9 YZ 0.004352 -0.006134 0.013829 136 C 10 S 0.000506 0.001206 -0.004763 137 C 10 S 0.001459 0.003556 -0.005014 138 C 10 S 0.003853 -0.037344 0.107527 139 C 10 X 0.010235 0.005873 -0.025725 140 C 10 Y 0.005778 -0.000101 -0.013589 141 C 10 Z 0.091946 0.019858 -0.196752 142 C 10 X 0.033882 0.005456 -0.055027 143 C 10 Y 0.029846 -0.013048 0.024066 144 C 10 Z 0.095463 0.034370 -0.285122 145 C 10 XX 0.004322 -0.004865 0.009695 146 C 10 YY -0.001776 0.001887 -0.004845 147 C 10 ZZ -0.002546 0.002978 -0.004850 148 C 10 XY -0.000485 0.000914 0.000513 149 C 10 XZ 0.007514 -0.010502 0.026704 150 C 10 YZ 0.019331 -0.021406 0.028221 151 C 11 S -0.000818 0.000837 -0.000989 152 C 11 S 0.003718 -0.003848 -0.002781 153 C 11 S 0.013480 -0.029245 0.040883 154 C 11 X 0.013477 -0.013954 0.002564 155 C 11 Y -0.005862 0.003029 -0.003847 156 C 11 Z -0.198095 0.179865 -0.108377 157 C 11 X -0.013412 -0.004999 -0.021981 158 C 11 Y 0.014025 0.011338 -0.010163 159 C 11 Z -0.197816 0.221746 -0.163784 160 C 11 XX 0.000718 0.000045 -0.005071 161 C 11 YY -0.000242 0.000248 0.003302 162 C 11 ZZ -0.000476 -0.000293 0.001770 163 C 11 XY 0.001091 0.000004 -0.002165 164 C 11 XZ -0.004789 -0.009285 0.036962 165 C 11 YZ 0.007730 0.008402 -0.032724 166 C 12 S 0.001277 -0.004376 0.009922 167 C 12 S 0.010519 -0.013400 0.017908 168 C 12 S 0.014926 0.034721 -0.129850 169 C 12 X 0.007427 -0.010188 0.011454 170 C 12 Y -0.003913 -0.002755 0.012971 171 C 12 Z 0.005478 0.010731 -0.047808 172 C 12 X 0.007292 -0.002082 -0.006106 173 C 12 Y -0.006060 -0.016377 0.055935 174 C 12 Z 0.002441 -0.004737 -0.003724 175 C 12 XX 0.002663 -0.000458 -0.003573 176 C 12 YY 0.000228 0.004130 -0.011900 177 C 12 ZZ -0.002892 -0.003672 0.015473 178 C 12 XY 0.001212 -0.001257 0.000240 179 C 12 XZ 0.006307 0.002517 -0.017416 180 C 12 YZ -0.000472 -0.004020 0.012037 181 C 13 S -0.000804 0.004995 -0.012199 182 C 13 S -0.001377 0.012343 -0.030338 183 C 13 S 0.008729 -0.052014 0.125133 184 C 13 X 0.000214 -0.001426 0.004032 185 C 13 Y 0.015043 -0.004959 -0.011860 186 C 13 Z 0.000747 0.008756 -0.026885 187 C 13 X 0.002735 -0.024280 0.062386 188 C 13 Y 0.010256 -0.004192 -0.000046 189 C 13 Z -0.000132 0.012837 -0.022186 190 C 13 XX 0.001483 -0.005258 0.011870 191 C 13 YY -0.000344 0.000466 -0.000843 192 C 13 ZZ -0.001139 0.004792 -0.011027 193 C 13 XY 0.000253 -0.000629 0.003261 194 C 13 XZ -0.000892 0.003668 -0.008388 195 C 13 YZ 0.000649 -0.000669 0.000201 196 C 14 S 0.000641 -0.001895 0.005619 197 C 14 S -0.000685 0.000977 0.000343 198 C 14 S -0.016134 0.043935 -0.118858 199 C 14 X 0.006376 -0.000194 -0.011623 200 C 14 Y -0.003610 0.006304 -0.014124 201 C 14 Z -0.017748 0.031761 -0.045334 202 C 14 X 0.000148 -0.002922 -0.008701 203 C 14 Y -0.007103 0.020449 -0.054542 204 C 14 Z -0.003886 -0.000804 -0.028053 205 C 14 XX -0.000345 0.000124 0.001783 206 C 14 YY -0.002834 0.004700 -0.007416 207 C 14 ZZ 0.003178 -0.004824 0.005633 208 C 14 XY 0.000687 -0.001071 0.001412 209 C 14 XZ -0.012646 0.013654 -0.010388 210 C 14 YZ -0.009140 0.013108 -0.017937 211 F 15 S 0.000125 -0.000064 -0.000562 212 F 15 S -0.003620 -0.004234 0.018677 213 F 15 S -0.009856 -0.009397 0.053179 214 F 15 X -0.013770 -0.005606 0.036313 215 F 15 Y -0.001494 0.013347 -0.031311 216 F 15 Z 0.012040 0.007755 -0.041596 217 F 15 X -0.013333 -0.004767 0.035260 218 F 15 Y 0.000101 0.012065 -0.031604 219 F 15 Z 0.009618 0.008064 -0.040560 220 F 15 XX 0.000273 -0.000036 -0.000361 221 F 15 YY -0.000192 0.000206 -0.000163 222 F 15 ZZ -0.000082 -0.000171 0.000524 223 F 15 XY 0.000097 -0.000251 0.000427 224 F 15 XZ 0.000024 0.000140 -0.000286 225 F 15 YZ 0.000099 -0.000071 -0.000003 226 F 16 S 0.000046 0.000093 -0.000042 227 F 16 S 0.001522 0.001742 -0.006758 228 F 16 S 0.003718 0.001389 -0.012763 229 F 16 X 0.006292 0.003173 -0.014267 230 F 16 Y -0.002144 -0.009152 0.028902 231 F 16 Z -0.005075 0.000892 0.007244 232 F 16 X 0.004859 0.003398 -0.014373 233 F 16 Y -0.001597 -0.005124 0.018421 234 F 16 Z -0.003810 0.000151 0.008024 235 F 16 XX -0.000061 0.000165 -0.000464 236 F 16 YY 0.000073 -0.000259 0.000717 237 F 16 ZZ -0.000012 0.000094 -0.000253 238 F 16 XY 0.000026 0.000255 -0.000781 239 F 16 XZ 0.000278 -0.000150 -0.000100 240 F 16 YZ -0.000090 0.000082 -0.000073 241 F 17 S -0.000175 0.000121 0.000352 242 F 17 S -0.005247 0.005035 -0.008458 243 F 17 S -0.009213 0.008619 -0.022696 244 F 17 X -0.015924 0.006386 -0.009220 245 F 17 Y -0.022959 0.027556 -0.027243 246 F 17 Z -0.001171 0.003007 -0.003504 247 F 17 X -0.014575 0.009197 -0.009571 248 F 17 Y -0.017543 0.019738 -0.020776 249 F 17 Z 0.000514 0.000748 -0.001004 250 F 17 XX 0.000051 0.000353 -0.000362 251 F 17 YY 0.000018 -0.000419 0.000587 252 F 17 ZZ -0.000069 0.000067 -0.000224 253 F 17 XY 0.000375 -0.000521 0.000028 254 F 17 XZ -0.000207 0.000073 -0.000174 255 F 17 YZ -0.000124 -0.000024 0.000344 256 F 18 S -0.000092 -0.000141 -0.000827 257 F 18 S 0.008847 -0.011274 0.012510 258 F 18 S 0.020248 -0.023861 0.042299 259 F 18 X 0.026061 -0.022708 0.021449 260 F 18 Y 0.022407 -0.030810 0.038664 261 F 18 Z -0.016926 0.021305 -0.023666 262 F 18 X 0.024010 -0.022342 0.021836 263 F 18 Y 0.020045 -0.027505 0.038733 264 F 18 Z -0.012848 0.016824 -0.022730 265 F 18 XX -0.000300 0.000104 0.000114 266 F 18 YY 0.000097 0.000079 -0.000414 267 F 18 ZZ 0.000203 -0.000183 0.000300 268 F 18 XY -0.000200 0.000494 -0.000485 269 F 18 XZ -0.000385 0.000079 0.000150 270 F 18 YZ -0.000132 0.000012 -0.000022 271 C 19 S 0.000152 -0.000291 0.000944 272 C 19 S 0.001858 -0.001286 0.002923 273 C 19 S 0.000651 0.004591 -0.011646 274 C 19 X -0.003396 0.002642 -0.004708 275 C 19 Y -0.002945 0.001032 -0.002172 276 C 19 Z 0.002213 -0.005400 0.010565 277 C 19 X -0.002397 -0.000437 0.001360 278 C 19 Y -0.002751 0.001670 -0.000556 279 C 19 Z 0.009503 -0.012191 0.022620 280 C 19 XX -0.000406 0.000756 -0.001790 281 C 19 YY 0.000505 -0.000271 0.000522 282 C 19 ZZ -0.000099 -0.000485 0.001268 283 C 19 XY 0.000088 0.000323 -0.000893 284 C 19 XZ -0.000094 -0.000520 0.001238 285 C 19 YZ -0.000711 -0.001434 0.003220 286 H 20 S -0.002357 0.003687 -0.007231 287 H 20 S -0.002779 0.004668 -0.011952 288 H 20 X 0.000037 -0.000016 0.000087 289 H 20 Y -0.000092 0.000128 -0.000261 290 H 20 Z 0.000012 -0.000141 0.000375 291 H 21 S 0.001683 0.003669 -0.008378 292 H 21 S 0.011162 -0.007364 0.013606 293 H 21 X -0.000389 0.000504 -0.001056 294 H 21 Y -0.000488 0.000456 -0.000978 295 H 21 Z 0.000063 -0.000194 0.000308 296 C 22 S 0.000179 -0.000145 -0.000599 297 C 22 S 0.001766 0.000105 0.001568 298 C 22 S -0.000588 0.007604 0.017605 299 C 22 X -0.003143 -0.003106 0.000922 300 C 22 Y 0.005199 0.002730 0.002920 301 C 22 Z -0.032395 -0.025967 -0.005397 302 C 22 X -0.006294 -0.006415 -0.003838 303 C 22 Y 0.000081 0.008098 0.002232 304 C 22 Z -0.023382 -0.039576 -0.033929 305 C 22 XX -0.001486 -0.002126 -0.000243 306 C 22 YY -0.000959 -0.001067 -0.001163 307 C 22 ZZ 0.002444 0.003193 0.001407 308 C 22 XY 0.001661 0.002811 -0.000166 309 C 22 XZ -0.014852 -0.020031 -0.005310 310 C 22 YZ 0.015304 0.022189 0.006306 311 H 23 S 0.000341 0.004234 -0.004647 312 H 23 S -0.002106 0.006789 -0.009896 313 H 23 X -0.000179 0.000003 -0.000215 314 H 23 Y 0.000098 0.000132 0.000058 315 H 23 Z -0.000481 -0.001312 -0.000306 316 H 24 S -0.060070 -0.080736 -0.015635 317 H 24 S -0.068334 -0.109321 -0.016805 318 H 24 X 0.001506 0.001040 0.000490 319 H 24 Y -0.001651 -0.000230 -0.000882 320 H 24 Z 0.000300 0.000702 0.000158 321 H 25 S 0.058573 0.075428 0.019452 322 H 25 S 0.067858 0.106876 0.014561 323 H 25 X -0.001482 -0.001089 -0.000341 324 H 25 Y 0.001805 0.000278 0.000728 325 H 25 Z 0.000687 0.000723 0.000275 326 C 26 S -0.000442 0.001247 -0.000619 327 C 26 S 0.006050 -0.020854 0.043783 328 C 26 S 0.005922 -0.053851 0.105397 329 C 26 X -0.008014 -0.007876 -0.019912 330 C 26 Y 0.021813 -0.002124 0.007557 331 C 26 Z 0.036732 -0.027351 0.062911 332 C 26 X -0.010409 -0.018213 -0.028984 333 C 26 Y 0.021430 -0.010530 0.022490 334 C 26 Z 0.041640 -0.013380 0.045475 335 C 26 XX -0.002927 0.000794 -0.002330 336 C 26 YY 0.001589 0.000984 -0.001727 337 C 26 ZZ 0.001337 -0.001778 0.004057 338 C 26 XY 0.000629 -0.002067 0.002366 339 C 26 XZ 0.000814 -0.001286 0.004046 340 C 26 YZ -0.000702 0.000739 -0.002402 341 H 27 S -0.004832 -0.001320 0.008964 342 H 27 S 0.001111 -0.002144 -0.012082 343 H 27 X -0.000924 0.000688 0.000533 344 H 27 Y -0.000646 -0.000508 0.002747 345 H 27 Z 0.001311 -0.001128 0.000891 346 H 28 S 0.010483 0.000491 0.005987 347 H 28 S 0.010967 0.001296 -0.001872 348 H 28 X 0.000103 -0.000630 0.000255 349 H 28 Y 0.000115 0.000371 -0.000972 350 H 28 Z 0.001291 -0.000727 0.001380 351 H 29 S -0.018867 0.005972 -0.031850 352 H 29 S 0.001350 0.046806 -0.059691 353 H 29 X 0.001147 0.000477 0.000970 354 H 29 Y -0.000680 -0.001073 -0.000496 355 H 29 Z 0.001258 -0.000151 0.002429 356 C 30 S 0.000554 -0.001238 0.000500 357 C 30 S 0.012285 0.023745 -0.038855 358 C 30 S 0.018626 0.072489 -0.108970 359 C 30 X 0.008271 0.000614 0.017762 360 C 30 Y -0.002285 -0.009781 0.004916 361 C 30 Z -0.034150 -0.032330 0.048451 362 C 30 X 0.005430 0.000239 0.013254 363 C 30 Y 0.015011 -0.015768 0.014296 364 C 30 Z -0.029237 -0.020090 0.040312 365 C 30 XX -0.002468 -0.000801 0.001132 366 C 30 YY 0.001843 -0.001325 0.003182 367 C 30 ZZ 0.000625 0.002126 -0.004314 368 C 30 XY 0.000427 0.000990 0.004449 369 C 30 XZ 0.000515 0.000764 0.003527 370 C 30 YZ -0.001620 -0.000712 0.002799 371 H 31 S 0.000934 0.004985 -0.001492 372 H 31 S 0.013252 -0.010955 0.002545 373 H 31 X -0.000047 0.000754 -0.000059 374 H 31 Y -0.001798 0.000433 -0.000988 375 H 31 Z -0.001161 -0.000994 0.000957 376 H 32 S -0.010988 -0.010108 -0.022152 377 H 32 S -0.018581 -0.017218 -0.004128 378 H 32 X -0.000278 -0.000468 -0.001056 379 H 32 Y 0.001291 -0.001381 0.002167 380 H 32 Z -0.001230 -0.000800 0.000957 381 H 33 S 0.002234 -0.002906 0.032162 382 H 33 S -0.012823 -0.024456 0.069427 383 H 33 X -0.000405 0.000020 -0.000666 384 H 33 Y -0.000005 0.000278 0.000620 385 H 33 Z -0.001153 -0.000866 0.001830 386 H 34 S -0.000648 -0.007332 0.015972 387 H 34 S -0.010106 0.002574 -0.002044 388 H 34 X 0.000204 -0.000365 0.000757 389 H 34 Y 0.000242 -0.000359 0.000601 390 H 34 Z 0.000035 0.000045 -0.000027 391 F 35 S 0.000021 0.000103 -0.000253 392 F 35 S 0.000366 -0.002192 0.005481 393 F 35 S 0.000257 -0.006047 0.015076 394 F 35 X 0.002098 -0.009689 0.022136 395 F 35 Y -0.006150 0.001142 0.006945 396 F 35 Z -0.000251 -0.001953 0.006192 397 F 35 X 0.001134 -0.006288 0.014233 398 F 35 Y -0.005644 0.001175 0.005336 399 F 35 Z 0.000115 -0.003570 0.008344 400 F 35 XX -0.000066 0.000270 -0.000665 401 F 35 YY 0.000049 -0.000136 0.000324 402 F 35 ZZ 0.000018 -0.000134 0.000341 403 F 35 XY 0.000151 -0.000002 -0.000283 404 F 35 XZ 0.000068 -0.000071 0.000034 405 F 35 YZ -0.000012 0.000001 0.000044 406 F 36 S 0.000095 -0.000596 0.001267 407 F 36 S -0.001047 0.004638 -0.011159 408 F 36 S -0.003451 0.020930 -0.048086 409 F 36 X -0.004974 0.016975 -0.034338 410 F 36 Y 0.000975 -0.001801 0.002172 411 F 36 Z -0.003423 0.011087 -0.025408 412 F 36 X -0.004015 0.014236 -0.030954 413 F 36 Y 0.000115 -0.001361 0.003104 414 F 36 Z -0.003115 0.012598 -0.029526 415 F 36 XX 0.000145 -0.000481 0.000915 416 F 36 YY -0.000066 0.000103 -0.000046 417 F 36 ZZ -0.000079 0.000378 -0.000870 418 F 36 XY -0.000230 0.000107 0.000203 419 F 36 XZ -0.000064 0.000054 -0.000056 420 F 36 YZ 0.000199 -0.000089 -0.000126 421 C 37 S -0.000633 0.000983 -0.000215 422 C 37 S -0.005139 0.008920 -0.018213 423 C 37 S 0.001212 -0.017848 -0.027526 424 C 37 X 0.004559 -0.009755 0.019394 425 C 37 Y -0.000665 -0.006206 0.016602 426 C 37 Z 0.032868 -0.018176 0.034456 427 C 37 X -0.003771 0.007232 0.003786 428 C 37 Y -0.002223 0.002204 0.013808 429 C 37 Z 0.038063 -0.023525 0.054624 430 C 37 XX 0.000621 0.001112 -0.002214 431 C 37 YY -0.001871 -0.001327 0.002304 432 C 37 ZZ 0.001250 0.000215 -0.000090 433 C 37 XY -0.000087 -0.000948 0.001695 434 C 37 XZ -0.000153 0.000685 -0.002242 435 C 37 YZ 0.002207 0.000529 -0.002080 436 S 38 S -0.000270 0.000229 -0.000359 437 S 38 S -0.001858 0.001402 -0.001978 438 S 38 S -0.000884 -0.003318 0.009027 439 S 38 S 0.007472 -0.016709 0.041785 440 S 38 X -0.000166 0.000191 -0.000593 441 S 38 Y 0.000116 0.000147 -0.000621 442 S 38 Z -0.000269 0.000117 0.000192 443 S 38 X -0.000220 -0.001561 0.003185 444 S 38 Y 0.006583 0.004794 -0.007533 445 S 38 Z -0.088468 0.054820 -0.088192 446 S 38 X 0.000773 -0.007130 0.009961 447 S 38 Y 0.008234 0.003643 -0.005810 448 S 38 Z -0.117626 0.092450 -0.174374 449 S 38 XX -0.002958 0.003011 -0.007007 450 S 38 YY 0.001762 -0.002768 0.006155 451 S 38 ZZ 0.001196 -0.000243 0.000852 452 S 38 XY -0.002422 0.003133 -0.006760 453 S 38 XZ -0.003735 0.006540 -0.012547 454 S 38 YZ -0.012649 0.020551 -0.047023 455 S 38 XX -0.000536 0.000611 -0.001405 456 S 38 YY 0.000332 -0.000529 0.001206 457 S 38 ZZ 0.000204 -0.000081 0.000199 458 S 38 XY -0.000489 0.000515 -0.001358 459 S 38 XZ -0.000407 0.000928 -0.001854 460 S 38 YZ -0.002320 0.003581 -0.008155 461 H 39 S 0.002533 -0.001291 0.000436 462 H 39 S 0.005293 -0.003192 0.004924 463 H 39 X 0.000148 -0.000129 0.000327 464 H 39 Y -0.000123 -0.000677 0.000610 465 H 39 Z 0.000812 -0.001207 0.001500 ...... END OF DENSITY MATRIX CALCULATION ...... CPU 0: STEP CPU TIME= 0.25 TOTAL CPU TIME= 492.5 ( 8.2 MIN) TOTAL WALL CLOCK TIME= 536.6 SECONDS, CPU UTILIZATION IS 91.78% FREEING DISTRIBUTED STORAGE FOR [OCC OCC|OCC OCC] INTEGRALS .....DONE WITH MCSCF ITERATIONS..... CPU 0: STEP CPU TIME= 0.00 TOTAL CPU TIME= 492.5 ( 8.2 MIN) TOTAL WALL CLOCK TIME= 536.6 SECONDS, CPU UTILIZATION IS 91.78% ---------------------------------------------------------------- PROPERTY VALUES FOR THE MCSCF SELF-CONSISTENT FIELD WAVEFUNCTION ---------------------------------------------------------------- THIS MCSCF AVERAGED 3 ROOTS OF DIFFERENT ENERGY. SINCE NO STATE-SPECIFIC DENSITY MATRIX IS AVAILABLE, PROPERTIES WILL NOT BE COMPUTED. MCQDPT CANNOT RUN AO INTEGRAL DIRECT, SO DIRTRF/DIRSCF WILL BE IGNORED. -------------------- 2 ELECTRON INTEGRALS -------------------- THE -PK- OPTION IS OFF, THE INTEGRALS ARE NOT IN SUPERMATRIX FORM. STORING 15000 INTEGRALS/RECORD ON DISK, USING 16 BYTES/INTEGRAL. TWO ELECTRON INTEGRAL EVALUATION REQUIRES 110097 WORDS OF MEMORY. SCHWARZ INEQUALITY OVERHEAD: 89668 INTEGRALS, T= 0.04 II,JST,KST,LST = 1 1 1 1 NREC = 1 INTLOC = 1 II,JST,KST,LST = 2 1 1 1 NREC = 1 INTLOC = 2 II,JST,KST,LST = 3 1 1 1 NREC = 1 INTLOC = 7 II,JST,KST,LST = 4 1 1 1 NREC = 1 INTLOC = 22 II,JST,KST,LST = 5 1 1 1 NREC = 1 INTLOC = 67 II,JST,KST,LST = 6 1 1 1 NREC = 1 INTLOC = 214 II,JST,KST,LST = 7 1 1 1 NREC = 1 INTLOC = 1189 II,JST,KST,LST = 8 1 1 1 NREC = 1 INTLOC = 3245 II,JST,KST,LST = 9 1 1 1 NREC = 1 INTLOC = 5710 II,JST,KST,LST = 10 1 1 1 NREC = 1 INTLOC = 8635 II,JST,KST,LST = 11 1 1 1 NREC = 2 INTLOC = 5560 II,JST,KST,LST = 12 1 1 1 NREC = 3 INTLOC = 8257 II,JST,KST,LST = 13 1 1 1 NREC = 7 INTLOC = 6202 II,JST,KST,LST = 14 1 1 1 NREC = 8 INTLOC = 6080 II,JST,KST,LST = 15 1 1 1 NREC = 9 INTLOC = 7479 II,JST,KST,LST = 16 1 1 1 NREC = 10 INTLOC =10464 II,JST,KST,LST = 17 1 1 1 NREC = 14 INTLOC =14759 II,JST,KST,LST = 18 1 1 1 NREC = 20 INTLOC = 6581 II,JST,KST,LST = 19 1 1 1 NREC = 35 INTLOC = 7861 II,JST,KST,LST = 20 1 1 1 NREC = 38 INTLOC =11141 II,JST,KST,LST = 21 1 1 1 NREC = 42 INTLOC = 3041 II,JST,KST,LST = 22 1 1 1 NREC = 45 INTLOC =13361 II,JST,KST,LST = 23 1 1 1 NREC = 58 INTLOC = 5707 II,JST,KST,LST = 24 1 1 1 NREC = 73 INTLOC = 3588 II,JST,KST,LST = 25 1 1 1 NREC = 110 INTLOC =14967 II,JST,KST,LST = 26 1 1 1 NREC = 118 INTLOC = 1332 II,JST,KST,LST = 27 1 1 1 NREC = 125 INTLOC =13917 II,JST,KST,LST = 28 1 1 1 NREC = 134 INTLOC = 3598 II,JST,KST,LST = 29 1 1 1 NREC = 142 INTLOC =14592 II,JST,KST,LST = 30 1 1 1 NREC = 170 INTLOC =12317 II,JST,KST,LST = 31 1 1 1 NREC = 203 INTLOC = 6369 II,JST,KST,LST = 32 1 1 1 NREC = 240 INTLOC = 8080 II,JST,KST,LST = 33 1 1 1 NREC = 328 INTLOC =14724 II,JST,KST,LST = 34 1 1 1 NREC = 434 INTLOC = 1239 II,JST,KST,LST = 35 1 1 1 NREC = 452 INTLOC = 7382 II,JST,KST,LST = 36 1 1 1 NREC = 474 INTLOC = 2996 II,JST,KST,LST = 37 1 1 1 NREC = 531 INTLOC =13190 II,JST,KST,LST = 38 1 1 1 NREC = 541 INTLOC =11394 II,JST,KST,LST = 39 1 1 1 NREC = 555 INTLOC = 5023 II,JST,KST,LST = 40 1 1 1 NREC = 579 INTLOC = 5892 II,JST,KST,LST = 41 1 1 1 NREC = 623 INTLOC = 9581 II,JST,KST,LST = 42 1 1 1 NREC = 706 INTLOC =12233 II,JST,KST,LST = 43 1 1 1 NREC = 825 INTLOC = 586 II,JST,KST,LST = 44 1 1 1 NREC = 833 INTLOC = 1025 II,JST,KST,LST = 45 1 1 1 NREC = 845 INTLOC = 6144 II,JST,KST,LST = 46 1 1 1 NREC = 871 INTLOC =10384 II,JST,KST,LST = 47 1 1 1 NREC = 911 INTLOC = 1853 II,JST,KST,LST = 48 1 1 1 NREC = 1001 INTLOC =12605 II,JST,KST,LST = 49 1 1 1 NREC = 1107 INTLOC = 5369 II,JST,KST,LST = 50 1 1 1 NREC = 1140 INTLOC =11658 II,JST,KST,LST = 51 1 1 1 NREC = 1183 INTLOC = 8310 II,JST,KST,LST = 52 1 1 1 NREC = 1233 INTLOC =13376 II,JST,KST,LST = 53 1 1 1 NREC = 1371 INTLOC = 1527 II,JST,KST,LST = 54 1 1 1 NREC = 1544 INTLOC = 538 II,JST,KST,LST = 55 1 1 1 NREC = 1886 INTLOC =13381 II,JST,KST,LST = 56 1 1 1 NREC = 1921 INTLOC =12548 II,JST,KST,LST = 57 1 1 1 NREC = 1967 INTLOC = 9982 II,JST,KST,LST = 58 1 1 1 NREC = 2035 INTLOC = 5214 II,JST,KST,LST = 59 1 1 1 NREC = 2180 INTLOC =11620 II,JST,KST,LST = 60 1 1 1 NREC = 2409 INTLOC = 8626 II,JST,KST,LST = 61 1 1 1 NREC = 2772 INTLOC =12918 II,JST,KST,LST = 62 1 1 1 NREC = 2832 INTLOC =11900 II,JST,KST,LST = 63 1 1 1 NREC = 2908 INTLOC = 2293 II,JST,KST,LST = 64 1 1 1 NREC = 3003 INTLOC = 3631 II,JST,KST,LST = 65 1 1 1 NREC = 3239 INTLOC =13497 II,JST,KST,LST = 66 1 1 1 NREC = 3556 INTLOC =13969 II,JST,KST,LST = 67 1 1 1 NREC = 4126 INTLOC =14172 II,JST,KST,LST = 68 1 1 1 NREC = 4170 INTLOC =12952 II,JST,KST,LST = 69 1 1 1 NREC = 4232 INTLOC =10531 II,JST,KST,LST = 70 1 1 1 NREC = 4333 INTLOC = 9273 II,JST,KST,LST = 71 1 1 1 NREC = 4526 INTLOC = 7847 II,JST,KST,LST = 72 1 1 1 NREC = 4870 INTLOC = 5907 II,JST,KST,LST = 73 1 1 1 NREC = 5340 INTLOC = 7458 II,JST,KST,LST = 74 1 1 1 NREC = 5392 INTLOC = 8757 II,JST,KST,LST = 75 1 1 1 NREC = 5464 INTLOC = 3698 II,JST,KST,LST = 76 1 1 1 NREC = 5583 INTLOC = 4895 II,JST,KST,LST = 77 1 1 1 NREC = 5806 INTLOC = 8721 II,JST,KST,LST = 78 1 1 1 NREC = 6209 INTLOC =12203 II,JST,KST,LST = 79 1 1 1 NREC = 6748 INTLOC = 5604 II,JST,KST,LST = 80 1 1 1 NREC = 6839 INTLOC = 1332 II,JST,KST,LST = 81 1 1 1 NREC = 6961 INTLOC = 7534 II,JST,KST,LST = 82 1 1 1 NREC = 7130 INTLOC =14267 II,JST,KST,LST = 83 1 1 1 NREC = 7507 INTLOC = 6595 II,JST,KST,LST = 84 1 1 1 NREC = 8064 INTLOC = 1161 II,JST,KST,LST = 85 1 1 1 NREC = 8957 INTLOC = 8176 II,JST,KST,LST = 86 1 1 1 NREC = 9028 INTLOC = 9638 II,JST,KST,LST = 87 1 1 1 NREC = 9126 INTLOC =13462 II,JST,KST,LST = 88 1 1 1 NREC = 9259 INTLOC = 9972 II,JST,KST,LST = 89 1 1 1 NREC = 9564 INTLOC = 4797 II,JST,KST,LST = 90 1 1 1 NREC = 10026 INTLOC =13050 II,JST,KST,LST = 91 1 1 1 NREC = 10724 INTLOC = 3389 II,JST,KST,LST = 92 1 1 1 NREC = 10799 INTLOC = 3705 II,JST,KST,LST = 93 1 1 1 NREC = 10904 INTLOC = 6633 II,JST,KST,LST = 94 1 1 1 NREC = 11053 INTLOC =13356 II,JST,KST,LST = 95 1 1 1 NREC = 11373 INTLOC = 6796 II,JST,KST,LST = 96 1 1 1 NREC = 11885 INTLOC = 1503 II,JST,KST,LST = 97 1 1 1 NREC = 12609 INTLOC = 4944 II,JST,KST,LST = 98 1 1 1 NREC = 12697 INTLOC = 1229 II,JST,KST,LST = 99 1 1 1 NREC = 12820 INTLOC = 7332 II,JST,KST,LST =100 1 1 1 NREC = 12999 INTLOC =14912 II,JST,KST,LST =101 1 1 1 NREC = 13375 INTLOC = 2815 II,JST,KST,LST =102 1 1 1 NREC = 13995 INTLOC = 6125 II,JST,KST,LST =103 1 1 1 NREC = 14843 INTLOC =14822 II,JST,KST,LST =104 1 1 1 NREC = 14950 INTLOC =11034 II,JST,KST,LST =105 1 1 1 NREC = 15105 INTLOC = 5811 II,JST,KST,LST =106 1 1 1 NREC = 15336 INTLOC = 7830 II,JST,KST,LST =107 1 1 1 NREC = 15809 INTLOC =11006 II,JST,KST,LST =108 1 1 1 NREC = 16599 INTLOC = 1671 II,JST,KST,LST =109 1 1 1 NREC = 17659 INTLOC =13122 II,JST,KST,LST =110 1 1 1 NREC = 17699 INTLOC = 4665 II,JST,KST,LST =111 1 1 1 NREC = 17763 INTLOC =12643 II,JST,KST,LST =112 1 1 1 NREC = 17903 INTLOC = 5615 II,JST,KST,LST =113 1 1 1 NREC = 18104 INTLOC = 5913 II,JST,KST,LST =114 1 1 1 NREC = 18597 INTLOC =13541 II,JST,KST,LST =115 1 1 1 NREC = 19109 INTLOC = 5539 II,JST,KST,LST =116 1 1 1 NREC = 19187 INTLOC =13817 II,JST,KST,LST =117 1 1 1 NREC = 19367 INTLOC =13267 II,JST,KST,LST =118 1 1 1 NREC = 19589 INTLOC = 7853 II,JST,KST,LST =119 1 1 1 NREC = 19674 INTLOC =14347 II,JST,KST,LST =120 1 1 1 NREC = 19864 INTLOC =10560 II,JST,KST,LST =121 1 1 1 NREC = 20109 INTLOC = 6159 II,JST,KST,LST =122 1 1 1 NREC = 20195 INTLOC = 6861 II,JST,KST,LST =123 1 1 1 NREC = 20327 INTLOC = 3142 II,JST,KST,LST =124 1 1 1 NREC = 20554 INTLOC = 7614 II,JST,KST,LST =125 1 1 1 NREC = 20954 INTLOC =12670 II,JST,KST,LST =126 1 1 1 NREC = 21731 INTLOC = 4962 II,JST,KST,LST =127 1 1 1 NREC = 22682 INTLOC = 7023 II,JST,KST,LST =128 1 1 1 NREC = 22821 INTLOC = 7350 II,JST,KST,LST =129 1 1 1 NREC = 23114 INTLOC = 5447 II,JST,KST,LST =130 1 1 1 NREC = 23492 INTLOC = 7819 II,JST,KST,LST =131 1 1 1 NREC = 23648 INTLOC =13520 II,JST,KST,LST =132 1 1 1 NREC = 23933 INTLOC = 2603 II,JST,KST,LST =133 1 1 1 NREC = 24354 INTLOC =13392 II,JST,KST,LST =134 1 1 1 NREC = 24525 INTLOC = 5889 II,JST,KST,LST =135 1 1 1 NREC = 24832 INTLOC = 3569 II,JST,KST,LST =136 1 1 1 NREC = 25299 INTLOC = 4217 II,JST,KST,LST =137 1 1 1 NREC = 25497 INTLOC = 8163 II,JST,KST,LST =138 1 1 1 NREC = 25786 INTLOC = 3720 II,JST,KST,LST =139 1 1 1 NREC = 26290 INTLOC = 3193 II,JST,KST,LST =140 1 1 1 NREC = 27185 INTLOC = 6632 II,JST,KST,LST =141 1 1 1 NREC = 28887 INTLOC =11384 II,JST,KST,LST =142 1 1 1 NREC = 31008 INTLOC = 1420 II,JST,KST,LST =143 1 1 1 NREC = 31403 INTLOC = 5518 II,JST,KST,LST =144 1 1 1 NREC = 32071 INTLOC = 7153 II,JST,KST,LST =145 1 1 1 NREC = 33148 INTLOC =10551 II,JST,KST,LST =146 1 1 1 NREC = 33458 INTLOC = 4853 II,JST,KST,LST =147 1 1 1 NREC = 34070 INTLOC = 387 II,JST,KST,LST =148 1 1 1 NREC = 34898 INTLOC = 1046 II,JST,KST,LST =149 1 1 1 NREC = 35257 INTLOC = 584 II,JST,KST,LST =150 1 1 1 NREC = 35896 INTLOC = 3707 II,JST,KST,LST =151 1 1 1 NREC = 36850 INTLOC = 1400 II,JST,KST,LST =152 1 1 1 NREC = 37122 INTLOC = 9136 II,JST,KST,LST =153 1 1 1 NREC = 37521 INTLOC =12598 II,JST,KST,LST =154 1 1 1 NREC = 38207 INTLOC = 6358 II,JST,KST,LST =155 1 1 1 NREC = 39436 INTLOC = 9046 II,JST,KST,LST =156 1 1 1 NREC = 41722 INTLOC =13778 II,JST,KST,LST =157 1 1 1 NREC = 44593 INTLOC = 381 II,JST,KST,LST =158 1 1 1 NREC = 45017 INTLOC = 5632 II,JST,KST,LST =159 1 1 1 NREC = 45816 INTLOC =12273 II,JST,KST,LST =160 1 1 1 NREC = 46946 INTLOC =10759 II,JST,KST,LST =161 1 1 1 NREC = 47460 INTLOC =11051 II,JST,KST,LST =162 1 1 1 NREC = 48367 INTLOC = 2360 II,JST,KST,LST =163 1 1 1 NREC = 49750 INTLOC = 3106 II,JST,KST,LST =164 1 1 1 NREC = 50200 INTLOC = 3434 II,JST,KST,LST =165 1 1 1 NREC = 51038 INTLOC =13236 II,JST,KST,LST =166 1 1 1 NREC = 52212 INTLOC = 7349 II,JST,KST,LST =167 1 1 1 NREC = 52394 INTLOC =13939 II,JST,KST,LST =168 1 1 1 NREC = 52849 INTLOC = 2731 II,JST,KST,LST =169 1 1 1 NREC = 53359 INTLOC = 3421 II,JST,KST,LST =170 1 1 1 NREC = 53509 INTLOC = 1208 II,JST,KST,LST =171 1 1 1 NREC = 53717 INTLOC =13719 II,JST,KST,LST =172 1 1 1 NREC = 54095 INTLOC = 1850 II,JST,KST,LST =173 1 1 1 NREC = 54725 INTLOC =10241 II,JST,KST,LST =174 1 1 1 NREC = 55986 INTLOC = 7130 II,JST,KST,LST =175 1 1 1 NREC = 57389 INTLOC = 2598 II,JST,KST,LST =176 1 1 1 NREC = 57608 INTLOC = 7210 II,JST,KST,LST =177 1 1 1 NREC = 57927 INTLOC = 4912 II,JST,KST,LST =178 1 1 1 NREC = 58444 INTLOC =12880 II,JST,KST,LST =179 1 1 1 NREC = 59407 INTLOC =11466 II,JST,KST,LST =180 1 1 1 NREC = 61186 INTLOC = 7587 II,JST,KST,LST =181 1 1 1 NREC = 63298 INTLOC = 6204 II,JST,KST,LST =182 1 1 1 NREC = 63693 INTLOC = 4399 II,JST,KST,LST =183 1 1 1 NREC = 64261 INTLOC =12545 II,JST,KST,LST =184 1 1 1 NREC = 65124 INTLOC =13255 II,JST,KST,LST =185 1 1 1 NREC = 66837 INTLOC = 4988 II,JST,KST,LST =186 1 1 1 NREC = 69658 INTLOC = 2578 II,JST,KST,LST =187 1 1 1 NREC = 73548 INTLOC = 5159 II,JST,KST,LST =188 1 1 1 NREC = 73819 INTLOC = 7413 II,JST,KST,LST =189 1 1 1 NREC = 74263 INTLOC =12608 II,JST,KST,LST =190 1 1 1 NREC = 74883 INTLOC = 9860 II,JST,KST,LST =191 1 1 1 NREC = 75863 INTLOC =14062 II,JST,KST,LST =192 1 1 1 NREC = 77065 INTLOC =10037 II,JST,KST,LST =193 1 1 1 NREC = 78979 INTLOC = 6293 II,JST,KST,LST =194 1 1 1 NREC = 82333 INTLOC = 6663 II,JST,KST,LST =195 1 1 1 NREC = 86632 INTLOC = 7928 II,JST,KST,LST =196 1 1 1 NREC = 89125 INTLOC =13029 II,JST,KST,LST =197 1 1 1 NREC = 89793 INTLOC = 1891 II,JST,KST,LST =198 1 1 1 NREC = 90929 INTLOC =10550 SCHWARZ INEQUALITY TEST SKIPPED 129237848 INTEGRAL BLOCKS. TOTAL NUMBER OF NONZERO TWO-ELECTRON INTEGRALS = 1390518975 92702 INTEGRAL RECORDS WERE STORED ON DISK FILE 8. ...... END OF TWO-ELECTRON INTEGRALS ..... STEP CPU TIME = 102.86 TOTAL CPU TIME = 595.3 ( 9.9 MIN) TOTAL WALL CLOCK TIME= 799.2 SECONDS, CPU UTILIZATION IS 74.49% ----------------- --------------------------- MC-QDPT2 (MR-MP2) PROGRAM WRITTEN BY H.NAKANO ----------------- --------------------------- PARALLELIZED BY H.UMEDA --------------------------- ---------------------------- MRMP/MCQDPT INPUT PARAMETERS ---------------------------- # OF ELECTRONS = 202 SPIN MULTIPLICITY = 1 SPATIAL STATE SYMMETRY = 1 # OF STATES = 3 (DIMENSION OF EFFECTIVE HAMILTONIAN) # OF FROZEN CORE ORBITALS = 33 # OF DOUBLY OCCUPIED ORBITALS = 66 # OF ACTIVE ORBITALS = 4 # OF EXTERNAL ORBITALS = 335 # OF FROZEN VIRTUAL ORBITALS = 0 IFORB IROT ISELCT LENGTH MAXCSF MAXERI 1 0 0 4096 2048 4096 MAXROW MDI MXBASE MXTRFR NSOLUT NSTCI NSTOP 200 50 50 80 3 3 100 GENZRO THRCON THRENE THRERI THRGEN THRWGT REFWGT 1.000D-12 1.000D-06-1.000D+00 1.000D-12 1.000D-08 1.000D-06 F NOSYM PARAIO DOORD0 DELSCR 0 T T F INTRUDER STATE FREE TECHNIQUE WILL BE USED, WITH PARAMETERS: 0.040000 (SPIN-FREE) AND 0.000000 (SPIN-ORBIT) (A.U.) THE WEIGHTS OF THE CAS STATES IN THE DENSITY MATRIX AVERAGING ARE 1= 0.333333 2= 0.333333 3= 0.333333 THE SYMMETRY OF EACH ORBITAL IS 1= 1,A 2= 1,A 3= 1,A 4= 1,A 5= 1,A 6= 1,A 7= 1,A 8= 1,A 9= 1,A 10= 1,A 11= 1,A 12= 1,A 13= 1,A 14= 1,A 15= 1,A 16= 1,A 17= 1,A 18= 1,A 19= 1,A 20= 1,A 21= 1,A 22= 1,A 23= 1,A 24= 1,A 25= 1,A 26= 1,A 27= 1,A 28= 1,A 29= 1,A 30= 1,A 31= 1,A 32= 1,A 33= 1,A 34= 1,A 35= 1,A 36= 1,A 37= 1,A 38= 1,A 39= 1,A 40= 1,A 41= 1,A 42= 1,A 43= 1,A 44= 1,A 45= 1,A 46= 1,A 47= 1,A 48= 1,A 49= 1,A 50= 1,A 51= 1,A 52= 1,A 53= 1,A 54= 1,A 55= 1,A 56= 1,A 57= 1,A 58= 1,A 59= 1,A 60= 1,A 61= 1,A 62= 1,A 63= 1,A 64= 1,A 65= 1,A 66= 1,A 67= 1,A 68= 1,A 69= 1,A 70= 1,A 71= 1,A 72= 1,A 73= 1,A 74= 1,A 75= 1,A 76= 1,A 77= 1,A 78= 1,A 79= 1,A 80= 1,A 81= 1,A 82= 1,A 83= 1,A 84= 1,A 85= 1,A 86= 1,A 87= 1,A 88= 1,A 89= 1,A 90= 1,A 91= 1,A 92= 1,A 93= 1,A 94= 1,A 95= 1,A 96= 1,A 97= 1,A 98= 1,A 99= 1,A 100= 1,A 101= 1,A 102= 1,A 103= 1,A 104= 1,A 105= 1,A 106= 1,A 107= 1,A 108= 1,A 109= 1,A 110= 1,A 111= 1,A 112= 1,A 113= 1,A 114= 1,A 115= 1,A 116= 1,A 117= 1,A 118= 1,A 119= 1,A 120= 1,A 121= 1,A 122= 1,A 123= 1,A 124= 1,A 125= 1,A 126= 1,A 127= 1,A 128= 1,A 129= 1,A 130= 1,A 131= 1,A 132= 1,A 133= 1,A 134= 1,A 135= 1,A 136= 1,A 137= 1,A 138= 1,A 139= 1,A 140= 1,A 141= 1,A 142= 1,A 143= 1,A 144= 1,A 145= 1,A 146= 1,A 147= 1,A 148= 1,A 149= 1,A 150= 1,A 151= 1,A 152= 1,A 153= 1,A 154= 1,A 155= 1,A 156= 1,A 157= 1,A 158= 1,A 159= 1,A 160= 1,A 161= 1,A 162= 1,A 163= 1,A 164= 1,A 165= 1,A 166= 1,A 167= 1,A 168= 1,A 169= 1,A 170= 1,A 171= 1,A 172= 1,A 173= 1,A 174= 1,A 175= 1,A 176= 1,A 177= 1,A 178= 1,A 179= 1,A 180= 1,A 181= 1,A 182= 1,A 183= 1,A 184= 1,A 185= 1,A 186= 1,A 187= 1,A 188= 1,A 189= 1,A 190= 1,A 191= 1,A 192= 1,A 193= 1,A 194= 1,A 195= 1,A 196= 1,A 197= 1,A 198= 1,A 199= 1,A 200= 1,A 201= 1,A 202= 1,A 203= 1,A 204= 1,A 205= 1,A 206= 1,A 207= 1,A 208= 1,A 209= 1,A 210= 1,A 211= 1,A 212= 1,A 213= 1,A 214= 1,A 215= 1,A 216= 1,A 217= 1,A 218= 1,A 219= 1,A 220= 1,A 221= 1,A 222= 1,A 223= 1,A 224= 1,A 225= 1,A 226= 1,A 227= 1,A 228= 1,A 229= 1,A 230= 1,A 231= 1,A 232= 1,A 233= 1,A 234= 1,A 235= 1,A 236= 1,A 237= 1,A 238= 1,A 239= 1,A 240= 1,A 241= 1,A 242= 1,A 243= 1,A 244= 1,A 245= 1,A 246= 1,A 247= 1,A 248= 1,A 249= 1,A 250= 1,A 251= 1,A 252= 1,A 253= 1,A 254= 1,A 255= 1,A 256= 1,A 257= 1,A 258= 1,A 259= 1,A 260= 1,A 261= 1,A 262= 1,A 263= 1,A 264= 1,A 265= 1,A 266= 1,A 267= 1,A 268= 1,A 269= 1,A 270= 1,A 271= 1,A 272= 1,A 273= 1,A 274= 1,A 275= 1,A 276= 1,A 277= 1,A 278= 1,A 279= 1,A 280= 1,A 281= 1,A 282= 1,A 283= 1,A 284= 1,A 285= 1,A 286= 1,A 287= 1,A 288= 1,A 289= 1,A 290= 1,A 291= 1,A 292= 1,A 293= 1,A 294= 1,A 295= 1,A 296= 1,A 297= 1,A 298= 1,A 299= 1,A 300= 1,A 301= 1,A 302= 1,A 303= 1,A 304= 1,A 305= 1,A 306= 1,A 307= 1,A 308= 1,A 309= 1,A 310= 1,A 311= 1,A 312= 1,A 313= 1,A 314= 1,A 315= 1,A 316= 1,A 317= 1,A 318= 1,A 319= 1,A 320= 1,A 321= 1,A 322= 1,A 323= 1,A 324= 1,A 325= 1,A 326= 1,A 327= 1,A 328= 1,A 329= 1,A 330= 1,A 331= 1,A 332= 1,A 333= 1,A 334= 1,A 335= 1,A 336= 1,A 337= 1,A 338= 1,A 339= 1,A 340= 1,A 341= 1,A 342= 1,A 343= 1,A 344= 1,A 345= 1,A 346= 1,A 347= 1,A 348= 1,A 349= 1,A 350= 1,A 351= 1,A 352= 1,A 353= 1,A 354= 1,A 355= 1,A 356= 1,A 357= 1,A 358= 1,A 359= 1,A 360= 1,A 361= 1,A 362= 1,A 363= 1,A 364= 1,A 365= 1,A 366= 1,A 367= 1,A 368= 1,A 369= 1,A 370= 1,A 371= 1,A 372= 1,A 373= 1,A 374= 1,A 375= 1,A 376= 1,A 377= 1,A 378= 1,A 379= 1,A 380= 1,A 381= 1,A 382= 1,A 383= 1,A 384= 1,A 385= 1,A 386= 1,A 387= 1,A 388= 1,A 389= 1,A 390= 1,A 391= 1,A 392= 1,A 393= 1,A 394= 1,A 395= 1,A 396= 1,A 397= 1,A 398= 1,A 399= 1,A 400= 1,A 401= 1,A 402= 1,A 403= 1,A 404= 1,A 405= 1,A 406= 1,A 407= 1,A 408= 1,A 409= 1,A 410= 1,A 411= 1,A 412= 1,A 413= 1,A 414= 1,A 415= 1,A 416= 1,A 417= 1,A 418= 1,A 419= 1,A 420= 1,A 421= 1,A 422= 1,A 423= 1,A 424= 1,A 425= 1,A 426= 1,A 427= 1,A 428= 1,A 429= 1,A 430= 1,A 431= 1,A 432= 1,A 433= 1,A 434= 1,A 435= 1,A 436= 1,A 437= 1,A 438= 1,A THE CORRELATED ORBITALS RUN FROM 34 TO 103 THE ACTIVE ORBITALS RUN FROM 100 TO 103 THE RESULTS OF REARRANGING THE ORBITALS BY SYMMETRY TYPE ARE SYM. 1 2 3 4 5 6 7 8 ----------------------------------------------------------------------- FZC / 1- 33/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ DOC / 34- 99/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ ACT /100-103/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ EXT /104-438/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ 0- 0/ ----------------------------------------------------------------------- NUMBER OF SPACE ORBITAL PRODUCTS = 19 MAXIMUM NUMBER OF SPIN FUNCTIONS = 2 TOTAL NUMBER OF CSFS (ALL SYMMETRIES) = 20 EVALUATING ONE-PARTICLE COUPLING CONSTANTS FOR CAS-CI... CAS-CI COUPLING CONSTANTS TOOK 0.0 SECONDS. EVALUATING ONE-PARTICLE COUPLING CONSTANTS FOR PT... PT COUPLING CONSTANTS TOOK 0.0 SECONDS. TOTAL NUMBER OF SYMMETRY ADAPTED CSFS = 20 CPU TIME TO SET UP SYMMETRY, GENERATE CSFS, AND COUPLING CONSTANTS= 4.86 TRANSFORMING INTEGRALS OVER OCCUPIED, UNCANONICAL MCSCF ORBITALS. SORTING DUPLICATED AO INTEGRAL LIST AO INTEGRAL FILE 8 READ 1 TIMES, SORTING TIME= 11.47 MAXIMUM MEMDDI THAT CAN BE USED IN THE INTEGRAL TRANSFORMATION IS 582 MWORDS THE MEMDDI THAT WILL BE USED IN THE INTEGRAL TRANSFORMATION IS 582 MWORDS TIME FOR FIRST TWO INDEX TRANSFORM= 7.63 TIME FOR LAST TWO INDEX TRANSFORM= 1.88 CPU TIME TO TRANSFORM INTEGRALS= 163.65 SOLVING FOR CAS-CI STATE FUNCTIONS. ########################## ### CAS-CI RESULTS ### ########################## CAS-CI STATES CONVERGED, COUPLING COEFFICIENT FILE 51 WAS READ 0 TIMES. STATE # 1 ENERGY = -2043.651377420 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 0.956413 2200 2 0.074028 2+-0 4 -0.160947 2020 6 -0.052487 2002 7 0.081495 +2-0 10 -0.133640 +-+- 11 0.059071 ++-- 12 -0.074224 +-02 15 -0.051416 0220 16 -0.050228 02+- 17 -0.100653 0202 STATE # 2 ENERGY = -2043.481805916 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 0.096382 2200 2 -0.876272 2+-0 3 -0.094164 2+0- 4 0.247524 2020 5 0.188906 20+- 7 0.257344 +2-0 10 0.058052 +-+- 11 -0.116841 ++-- 14 0.075461 +0-2 15 -0.094869 0220 16 -0.073110 02+- 19 0.096533 0+-2 STATE # 3 ENERGY = -2043.462406789 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 2 -0.381183 2+-0 3 0.457163 2+0- 4 -0.563460 2020 5 -0.120028 20+- 6 0.157238 2002 7 -0.346502 +2-0 8 -0.076378 +20- 9 -0.258229 +-20 11 0.164869 ++-- 12 0.130190 +-02 15 0.150511 0220 16 0.116194 02+- 17 -0.061091 0202 18 0.087011 0+2- CPU TIME TO GENERATE REFERENCE CI STATES = 0.01 *** ONE PARTICLE DENSITY MATRIX OVER ACTIVE MO-S *** 1 2 3 4 1 1.818091E+00 2 2.994152E-02 1.234242E+00 3 -1.607195E-02-6.152456E-03 7.669435E-01 4 -5.437344E-03 3.182898E-03 3.706128E-02 1.807231E-01 OVERLAP OF THE CANONICAL ORBITALS WITH PREVIOUS MO INDEX: 1 1.0000E+00 2 1.0000E+00 3 1.0000E+00 4 1.0000E+00 5 1.0000E+00 6 1.0000E+00 7 1.0000E+00 8 1.0000E+00 9 1.0000E+00 10 1.0000E+00 11 1.0000E+00 12 1.0000E+00 13 1.0000E+00 14 1.0000E+00 15 1.0000E+00 16 1.0000E+00 17 1.0000E+00 18 1.0000E+00 19 1.0000E+00 20 1.0000E+00 21 1.0000E+00 22 1.0000E+00 23 1.0000E+00 24 1.0000E+00 25 1.0000E+00 26 1.0000E+00 27 1.0000E+00 28 1.0000E+00 29 1.0000E+00 30 1.0000E+00 31 1.0000E+00 32 1.0000E+00 33 1.0000E+00 34 1.0000E+00 35 1.0000E+00 36 1.0000E+00 37 1.0000E+00 38 1.0000E+00 39 1.0000E+00 40 1.0000E+00 41 1.0000E+00 42 1.0000E+00 43 1.0000E+00 44 1.0000E+00 45 1.0000E+00 46 1.0000E+00 47 1.0000E+00 48 1.0000E+00 49 1.0000E+00 50 1.0000E+00 51 1.0000E+00 52 1.0000E+00 53 1.0000E+00 54 1.0000E+00 55 1.0000E+00 56 1.0000E+00 57 1.0000E+00 58 1.0000E+00 59 1.0000E+00 60 1.0000E+00 61 1.0000E+00 62 1.0000E+00 63 1.0000E+00 64 1.0000E+00 65 1.0000E+00 66 1.0000E+00 67 1.0000E+00 68 1.0000E+00 69 1.0000E+00 70 1.0000E+00 71 1.0000E+00 72 1.0000E+00 73 1.0000E+00 74 1.0000E+00 75 1.0000E+00 76 1.0000E+00 77 1.0000E+00 78 1.0000E+00 79 1.0000E+00 80 1.0000E+00 81 1.0000E+00 82 1.0000E+00 83 1.0000E+00 84 1.0000E+00 85 1.0000E+00 86 1.0000E+00 87 1.0000E+00 88 1.0000E+00 89 1.0000E+00 90 1.0000E+00 91 1.0000E+00 92 1.0000E+00 93 1.0000E+00 94 1.0000E+00 95 1.0000E+00 96 1.0000E+00 97 1.0000E+00 98 1.0000E+00 99 1.0000E+00 100 1.0000E+00 101 1.0000E+00 102 1.0000E+00 103 1.0000E+00 104 1.0000E+00 105 1.0000E+00 106 1.0000E+00 107 1.0000E+00 108 1.0000E+00 109 1.0000E+00 110 1.0000E+00 111 1.0000E+00 112 1.0000E+00 113 1.0000E+00 114 1.0000E+00 115 1.0000E+00 116 1.0000E+00 117 1.0000E+00 118 1.0000E+00 119 1.0000E+00 120 1.0000E+00 121 1.0000E+00 122 1.0000E+00 123 1.0000E+00 124 1.0000E+00 125 1.0000E+00 126 1.0000E+00 127 1.0000E+00 128 1.0000E+00 129 1.0000E+00 130 1.0000E+00 131 1.0000E+00 132 1.0000E+00 133 1.0000E+00 134 1.0000E+00 135 1.0000E+00 136 1.0000E+00 137 1.0000E+00 138 1.0000E+00 139 1.0000E+00 140 1.0000E+00 141 1.0000E+00 142 1.0000E+00 143 1.0000E+00 144 1.0000E+00 145 1.0000E+00 146 1.0000E+00 147 1.0000E+00 148 1.0000E+00 149 1.0000E+00 150 1.0000E+00 151 1.0000E+00 152 1.0000E+00 153 1.0000E+00 154 1.0000E+00 155 1.0000E+00 156 1.0000E+00 157 1.0000E+00 158 1.0000E+00 159 1.0000E+00 160 1.0000E+00 161 1.0000E+00 162 1.0000E+00 163 1.0000E+00 164 1.0000E+00 165 1.0000E+00 166 1.0000E+00 167 1.0000E+00 168 1.0000E+00 169 1.0000E+00 170 1.0000E+00 171 1.0000E+00 172 1.0000E+00 173 1.0000E+00 174 1.0000E+00 175 1.0000E+00 176 1.0000E+00 177 1.0000E+00 178 1.0000E+00 179 1.0000E+00 180 1.0000E+00 181 1.0000E+00 182 1.0000E+00 183 1.0000E+00 184 1.0000E+00 185 1.0000E+00 186 1.0000E+00 187 1.0000E+00 188 1.0000E+00 189 1.0000E+00 190 1.0000E+00 191 1.0000E+00 192 1.0000E+00 193 1.0000E+00 194 1.0000E+00 195 1.0000E+00 196 1.0000E+00 197 1.0000E+00 198 1.0000E+00 199 1.0000E+00 200 1.0000E+00 201 1.0000E+00 202 1.0000E+00 203 1.0000E+00 204 1.0000E+00 205 1.0000E+00 206 1.0000E+00 207 1.0000E+00 208 1.0000E+00 209 1.0000E+00 210 1.0000E+00 211 1.0000E+00 212 1.0000E+00 213 1.0000E+00 214 1.0000E+00 215 1.0000E+00 216 1.0000E+00 217 1.0000E+00 218 1.0000E+00 219 1.0000E+00 220 1.0000E+00 221 1.0000E+00 222 1.0000E+00 223 1.0000E+00 224 1.0000E+00 225 1.0000E+00 226 1.0000E+00 227 1.0000E+00 228 1.0000E+00 229 1.0000E+00 230 1.0000E+00 231 1.0000E+00 232 1.0000E+00 233 1.0000E+00 234 1.0000E+00 235 1.0000E+00 236 1.0000E+00 237 1.0000E+00 238 1.0000E+00 239 1.0000E+00 240 1.0000E+00 241 1.0000E+00 242 1.0000E+00 243 1.0000E+00 244 1.0000E+00 245 1.0000E+00 246 1.0000E+00 247 1.0000E+00 248 1.0000E+00 249 1.0000E+00 250 1.0000E+00 251 1.0000E+00 252 1.0000E+00 253 1.0000E+00 254 1.0000E+00 255 1.0000E+00 256 1.0000E+00 257 1.0000E+00 258 1.0000E+00 259 1.0000E+00 260 1.0000E+00 261 1.0000E+00 262 1.0000E+00 263 1.0000E+00 264 1.0000E+00 265 1.0000E+00 266 1.0000E+00 267 1.0000E+00 268 1.0000E+00 269 1.0000E+00 270 1.0000E+00 271 1.0000E+00 272 1.0000E+00 273 1.0000E+00 274 1.0000E+00 275 1.0000E+00 276 1.0000E+00 277 1.0000E+00 278 1.0000E+00 279 1.0000E+00 280 1.0000E+00 281 1.0000E+00 282 1.0000E+00 283 1.0000E+00 284 1.0000E+00 285 1.0000E+00 286 1.0000E+00 287 1.0000E+00 288 1.0000E+00 289 1.0000E+00 290 1.0000E+00 291 1.0000E+00 292 1.0000E+00 293 1.0000E+00 294 1.0000E+00 295 1.0000E+00 296 1.0000E+00 297 1.0000E+00 298 1.0000E+00 299 1.0000E+00 300 1.0000E+00 301 1.0000E+00 302 1.0000E+00 303 1.0000E+00 304 1.0000E+00 305 1.0000E+00 306 1.0000E+00 307 1.0000E+00 308 1.0000E+00 309 1.0000E+00 310 1.0000E+00 311 1.0000E+00 312 1.0000E+00 313 1.0000E+00 314 1.0000E+00 315 1.0000E+00 316 1.0000E+00 317 1.0000E+00 318 1.0000E+00 319 1.0000E+00 320 1.0000E+00 321 1.0000E+00 322 1.0000E+00 323 1.0000E+00 324 1.0000E+00 325 1.0000E+00 326 1.0000E+00 327 1.0000E+00 328 1.0000E+00 329 1.0000E+00 330 1.0000E+00 331 1.0000E+00 332 1.0000E+00 333 1.0000E+00 334 1.0000E+00 335 1.0000E+00 336 1.0000E+00 337 1.0000E+00 338 1.0000E+00 339 1.0000E+00 340 1.0000E+00 341 1.0000E+00 342 1.0000E+00 343 1.0000E+00 344 1.0000E+00 345 1.0000E+00 346 1.0000E+00 347 1.0000E+00 348 1.0000E+00 349 1.0000E+00 350 1.0000E+00 351 1.0000E+00 352 1.0000E+00 353 1.0000E+00 354 1.0000E+00 355 1.0000E+00 356 1.0000E+00 357 1.0000E+00 358 1.0000E+00 359 1.0000E+00 360 1.0000E+00 361 1.0000E+00 362 1.0000E+00 363 1.0000E+00 364 1.0000E+00 365 1.0000E+00 366 1.0000E+00 367 1.0000E+00 368 1.0000E+00 369 1.0000E+00 370 1.0000E+00 371 1.0000E+00 372 1.0000E+00 373 1.0000E+00 374 1.0000E+00 375 1.0000E+00 376 1.0000E+00 377 1.0000E+00 378 1.0000E+00 379 1.0000E+00 380 1.0000E+00 381 1.0000E+00 382 1.0000E+00 383 1.0000E+00 384 1.0000E+00 385 1.0000E+00 386 1.0000E+00 387 1.0000E+00 388 1.0000E+00 389 1.0000E+00 390 1.0000E+00 391 1.0000E+00 392 1.0000E+00 393 1.0000E+00 394 1.0000E+00 395 1.0000E+00 396 1.0000E+00 397 1.0000E+00 398 1.0000E+00 399 1.0000E+00 400 1.0000E+00 401 1.0000E+00 402 1.0000E+00 403 1.0000E+00 404 1.0000E+00 405 1.0000E+00 406 1.0000E+00 407 1.0000E+00 408 1.0000E+00 409 1.0000E+00 410 1.0000E+00 411 1.0000E+00 412 1.0000E+00 413 1.0000E+00 414 1.0000E+00 415 1.0000E+00 416 1.0000E+00 417 1.0000E+00 418 1.0000E+00 419 1.0000E+00 420 1.0000E+00 421 1.0000E+00 422 1.0000E+00 423 1.0000E+00 424 1.0000E+00 425 1.0000E+00 426 1.0000E+00 427 1.0000E+00 428 1.0000E+00 429 1.0000E+00 430 1.0000E+00 431 1.0000E+00 432 1.0000E+00 433 1.0000E+00 434 1.0000E+00 435 1.0000E+00 436 1.0000E+00 437 1.0000E+00 438 1.0000E+00 CPU TIME TO CANONICALIZE THE ORBITALS = 31.73 TRANSFORMING INTEGRALS OVER ALL CANONICAL MCSCF ORBITALS. MAXIMUM MEMDDI THAT CAN BE USED IN THE INTEGRAL TRANSFORMATION IS 4320 MWORDS THE MEMDDI THAT WILL BE USED IN THE INTEGRAL TRANSFORMATION IS 4320 MWORDS TIME FOR FIRST TWO INDEX TRANSFORM= 50.09 TIME FOR LAST TWO INDEX TRANSFORM= 11.29 CPU TIME TO TRANSFORM INTEGRALS= 71.40 SOLVING FOR CAS-CI STATE FUNCTIONS IN CANONICAL ORBITAL BASIS ########################## ### CAS-CI RESULTS ### ########################## CAS-CI STATES CONVERGED, COUPLING COEFFICIENT FILE 51 WAS READ 0 TIMES. STATE # 1 ENERGY = -2043.651377420 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 0.956413 2200 2 0.074028 2+-0 4 -0.160947 2020 6 -0.052487 2002 7 0.081495 +2-0 10 -0.133640 +-+- 11 0.059071 ++-- 12 -0.074224 +-02 15 -0.051416 0220 16 -0.050228 02+- 17 -0.100653 0202 STATE # 2 ENERGY = -2043.481805916 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 0.096382 2200 2 -0.876272 2+-0 3 -0.094164 2+0- 4 0.247524 2020 5 0.188906 20+- 7 0.257344 +2-0 10 0.058052 +-+- 11 -0.116841 ++-- 14 0.075461 +0-2 15 -0.094869 0220 16 -0.073110 02+- 19 0.096533 0+-2 STATE # 3 ENERGY = -2043.462406789 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 2 -0.381183 2+-0 3 0.457163 2+0- 4 -0.563460 2020 5 -0.120028 20+- 6 0.157238 2002 7 -0.346502 +2-0 8 -0.076378 +20- 9 -0.258229 +-20 11 0.164869 ++-- 12 0.130190 +-02 15 0.150511 0220 16 0.116194 02+- 17 -0.061091 0202 18 0.087011 0+2- CPU TIME TO GENERATE REFERENCE CI STATES = 0.02 *** ONE PARTICLE DENSITY MATRIX OVER CANONICAL ORBITALS *** 1 2 3 4 1 1.818091E+00 2 2.994150E-02 1.234242E+00 3 -1.607195E-02-6.152453E-03 7.669435E-01 4 -5.437318E-03 3.182923E-03 3.706127E-02 1.807231E-01 *** ORBITAL ENERGIES OF THE CANONICAL ORBITALS *** DOUBLY OCCUPIED ORBITALS: -9.199517E+01 -9.197175E+01 -2.633714E+01 -2.633700E+01 -2.633525E+01 -2.633192E+01 -2.632688E+01 -2.632362E+01 -1.144386E+01 -1.144305E+01 -1.144109E+01 -1.130570E+01 -1.130309E+01 -1.129892E+01 -1.128776E+01 -1.128548E+01 -1.128491E+01 -1.128227E+01 -1.127781E+01 -1.126713E+01 -1.126368E+01 -1.126259E+01 -1.125916E+01 -1.124582E+01 -1.124314E+01 -8.997075E+00 -8.974788E+00 -6.678742E+00 -6.677541E+00 -6.675534E+00 -6.656537E+00 -6.655331E+00 -6.653222E+00 -1.700608E+00 -1.679533E+00 -1.670971E+00 -1.630929E+00 -1.616942E+00 -1.613229E+00 -1.231287E+00 -1.174377E+00 -1.169354E+00 -1.097548E+00 -1.065247E+00 -1.060159E+00 -1.024642E+00 -9.966374E-01 -9.893919E-01 -9.635704E-01 -9.519299E-01 -9.235844E-01 -9.113030E-01 -8.754642E-01 -8.437876E-01 -8.362340E-01 -8.090454E-01 -8.040367E-01 -7.900270E-01 -7.770394E-01 -7.650813E-01 -7.534402E-01 -7.524395E-01 -7.343384E-01 -7.264405E-01 -7.074183E-01 -6.949524E-01 -6.907051E-01 -6.897242E-01 -6.750056E-01 -6.656182E-01 -6.622266E-01 -6.493265E-01 -6.410050E-01 -6.395216E-01 -6.342846E-01 -6.306489E-01 -6.183239E-01 -6.134962E-01 -6.094945E-01 -5.968263E-01 -5.945490E-01 -5.885503E-01 -5.844148E-01 -5.815193E-01 -5.638645E-01 -5.561292E-01 -5.494584E-01 -5.430890E-01 -5.146720E-01 -5.069446E-01 -5.016920E-01 -4.971285E-01 -4.885031E-01 -4.809705E-01 -4.676974E-01 -4.465262E-01 -4.345309E-01 -3.993609E-01 -3.591812E-01 ACTIVE ORBITALS: -3.759638E-01 -2.030574E-01 -3.342816E-02 1.576433E-01 VIRTUAL ORBITALS: 1.378111E-01 1.399056E-01 1.609184E-01 1.717463E-01 1.853902E-01 1.893539E-01 2.026386E-01 2.147819E-01 2.160394E-01 2.284637E-01 2.338952E-01 2.469731E-01 2.496226E-01 2.510983E-01 2.567571E-01 2.575148E-01 2.708619E-01 2.738712E-01 2.770124E-01 2.824946E-01 2.896076E-01 2.948467E-01 3.156191E-01 3.427320E-01 3.483116E-01 3.521594E-01 3.644568E-01 3.717181E-01 3.886710E-01 3.963386E-01 4.122518E-01 4.324285E-01 4.383157E-01 4.548957E-01 4.696780E-01 4.750192E-01 4.868853E-01 4.996077E-01 5.059815E-01 5.122001E-01 5.239237E-01 5.334193E-01 5.487068E-01 5.627339E-01 5.667003E-01 5.791101E-01 5.834047E-01 5.900598E-01 5.932945E-01 6.025288E-01 6.066500E-01 6.121655E-01 6.217729E-01 6.316087E-01 6.339176E-01 6.477715E-01 6.619383E-01 6.699753E-01 6.733203E-01 6.771441E-01 6.868604E-01 6.956158E-01 7.018443E-01 7.079070E-01 7.247566E-01 7.277210E-01 7.325941E-01 7.373788E-01 7.386833E-01 7.549362E-01 7.570711E-01 7.683070E-01 7.709161E-01 7.774106E-01 7.839603E-01 7.989233E-01 8.043107E-01 8.096288E-01 8.164590E-01 8.281959E-01 8.294273E-01 8.369230E-01 8.420256E-01 8.489022E-01 8.524382E-01 8.550919E-01 8.621942E-01 8.630457E-01 8.696814E-01 8.727803E-01 8.801749E-01 8.846821E-01 8.873401E-01 9.001795E-01 9.033598E-01 9.094378E-01 9.179047E-01 9.237278E-01 9.273723E-01 9.326819E-01 9.350093E-01 9.475375E-01 9.509393E-01 9.622569E-01 9.769168E-01 9.794063E-01 9.846574E-01 9.885303E-01 1.000217E+00 1.011633E+00 1.028796E+00 1.034532E+00 1.056982E+00 1.058038E+00 1.061502E+00 1.087771E+00 1.098264E+00 1.125789E+00 1.133486E+00 1.141479E+00 1.153828E+00 1.164828E+00 1.170619E+00 1.181875E+00 1.186945E+00 1.202680E+00 1.219919E+00 1.230139E+00 1.241462E+00 1.250543E+00 1.258738E+00 1.273513E+00 1.289037E+00 1.300423E+00 1.307029E+00 1.338463E+00 1.341632E+00 1.364407E+00 1.371729E+00 1.383977E+00 1.394526E+00 1.402089E+00 1.406204E+00 1.430678E+00 1.443266E+00 1.444332E+00 1.449857E+00 1.465536E+00 1.472238E+00 1.489400E+00 1.501073E+00 1.518094E+00 1.525298E+00 1.538908E+00 1.543919E+00 1.549420E+00 1.555263E+00 1.567314E+00 1.570141E+00 1.588603E+00 1.595921E+00 1.598870E+00 1.609847E+00 1.619367E+00 1.625062E+00 1.634217E+00 1.638921E+00 1.647523E+00 1.650448E+00 1.655413E+00 1.666616E+00 1.673475E+00 1.676518E+00 1.682968E+00 1.685848E+00 1.694422E+00 1.697457E+00 1.710993E+00 1.715770E+00 1.726458E+00 1.732343E+00 1.741751E+00 1.757434E+00 1.770437E+00 1.772799E+00 1.780699E+00 1.789070E+00 1.794390E+00 1.804304E+00 1.813061E+00 1.821012E+00 1.826908E+00 1.835563E+00 1.844192E+00 1.851214E+00 1.854966E+00 1.869868E+00 1.875921E+00 1.883013E+00 1.885940E+00 1.889722E+00 1.913073E+00 1.922937E+00 1.931761E+00 1.935424E+00 1.949534E+00 1.955403E+00 1.959690E+00 1.959991E+00 1.982744E+00 1.987472E+00 1.993318E+00 2.006727E+00 2.008296E+00 2.017758E+00 2.021351E+00 2.039269E+00 2.046030E+00 2.054512E+00 2.070966E+00 2.076583E+00 2.095833E+00 2.099755E+00 2.103561E+00 2.124454E+00 2.137780E+00 2.145094E+00 2.147694E+00 2.149754E+00 2.166378E+00 2.179753E+00 2.196832E+00 2.206879E+00 2.212674E+00 2.223009E+00 2.238256E+00 2.238408E+00 2.248205E+00 2.249105E+00 2.258054E+00 2.271646E+00 2.280753E+00 2.296269E+00 2.305895E+00 2.331985E+00 2.347044E+00 2.365695E+00 2.384734E+00 2.385158E+00 2.397205E+00 2.406161E+00 2.424997E+00 2.427901E+00 2.454289E+00 2.458418E+00 2.487422E+00 2.499235E+00 2.522238E+00 2.528994E+00 2.542266E+00 2.567830E+00 2.571832E+00 2.577195E+00 2.605665E+00 2.632193E+00 2.641157E+00 2.694097E+00 2.704593E+00 2.712111E+00 2.716509E+00 2.738194E+00 2.746332E+00 2.757372E+00 2.758416E+00 2.767693E+00 2.784126E+00 2.789485E+00 2.811922E+00 2.837915E+00 2.854693E+00 2.871018E+00 2.905085E+00 2.926404E+00 2.929910E+00 2.944580E+00 2.953907E+00 2.990009E+00 2.998887E+00 3.030603E+00 3.081012E+00 3.098361E+00 3.142941E+00 3.201670E+00 3.229206E+00 3.315041E+00 3.948659E+00 3.951506E+00 3.957507E+00 3.959731E+00 3.960415E+00 3.963971E+00 3.984122E+00 4.000973E+00 4.005628E+00 4.015850E+00 4.020835E+00 4.033494E+00 4.052516E+00 4.059917E+00 4.062736E+00 4.170555E+00 4.197488E+00 4.222762E+00 4.259333E+00 4.262208E+00 4.364447E+00 4.384752E+00 4.431494E+00 4.456049E+00 4.466149E+00 4.475920E+00 4.513513E+00 4.558841E+00 4.576020E+00 4.613656E+00 4.940450E+00 4.973191E+00 4.978930E+00 5.038387E+00 5.064369E+00 5.079891E+00 5.108146E+00 5.118441E+00 5.203678E+00 5.225713E+00 CPU TIME TO GENERATE ORBITAL ENERGIES = 6.15 DISCARDING NEGLIGIBLE GENERATORS STEP ONE: ORIGINAL SPACE PRODUCTS= 19 REDUCED TO 19 STEP TWO: NUMBER OF SPACE PRODUCTS= 19 REDUCED TO 19 CONDENSED LABELS MADE FOR 20 CSFS CPU TIME TO REDUCE GENERATORS TO MINIMUM = 0.00 FINISHING SETUP FOR MRMP/MCQDPT CALCULATION. *** HEFF(0): THE 0TH ORDER XMCQDPT HAMILTONIAN *** 1 2 3 1 -4.780009E+02 2 -2.450246E-02-4.778120E+02 3 4.265494E-03-7.737128E-02-4.776616E+02 *** ROTATION FROM CAS-CI TO INTERMEDIATE BASIS *** (THESE ARE THE VECTORS DIAGONALIZING HEFF(0)) 1 2 3 1 0.9908850 0.1297189 0.0363299 2 0.1335261 -0.9101029 -0.3922800 3 0.0178222 -0.3935554 0.9191281 *** INTERMEDIATE CI STATE BASIS *** (HEFF(2) WILL BE COMPUTED IN THE INTERMEDIATE BASIS) STATE # 1 ENERGY = -478.004109565 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 0.960365 2200 2 -0.050445 2+-0 4 -0.136471 2020 6 -0.053795 2002 7 0.108939 +2-0 10 -0.125467 +-+- 12 -0.071990 +-02 15 -0.060933 0220 16 -0.057461 02+- 17 -0.097735 0202 STATE # 2 ENERGY = -477.841917218 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 2 0.957117 2+-0 3 -0.097873 2+0- 5 -0.126645 20+- 7 -0.087271 +2-0 8 0.067281 +20- 9 0.123306 +-20 10 -0.052580 +-+- 12 -0.055662 +-02 14 -0.069211 +0-2 18 -0.051110 0+2- 19 -0.103287 0+-2 STATE # 3 ENERGY = -477.628398670 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 3 0.456107 2+0- 4 -0.620838 2020 5 -0.184973 20+- 6 0.156098 2002 7 -0.416470 +2-0 8 -0.054505 +20- 9 -0.228150 +-20 10 -0.068704 +-+- 11 0.199516 ++-- 12 0.119207 +-02 15 0.173686 0220 16 0.133652 02+- 17 -0.068883 0202 18 0.072703 0+2- *** HEFF(0+1), EXPRESSED IN THE INTERMEDIATE BASIS *** 1 2 3 1 -2.043648E+03 2 -2.193219E-02-2.043482E+03 3 -5.786583E-03-7.816338E-03-2.043466E+03 THE FROZEN CORE ENERGY IS -3338.4675998674 MAXIMUM MEMDDI THAT CAN BE USED IN THE PERTURBATION CALCULATION IS 591 MWORDS THE MEMDDI THAT WILL BE USED IN THE PERTURBATION CALCULATION IS 591 MWORDS PREPARING TRANSFORMED INTEGRALS FOR PT... TIME FOR FINISHING SETUPS = 5.18 EVALUATING PERTURBATION THEORY CORRECTIONS TO HAMILTONIAN ELEMENTS. EVALUATING MATRIX ELEMENTS BETWEEN STATE 1 AND ALL OTHER STATES. TIME FOR 0-BODY FORMULAE = 0.06 TIME FOR 1-BODY FORMULAE = 1.80 TIME FOR 2-BODY FORMULAE = 0.03 TIME FOR 3-BODY FORMULAE = 0.00 TIME FOR 0-BODY FORMULAE INVOLVING 2 EXTERNAL ORBITALS= 0.86 TIME FOR 1-BODY FORMULAE INVOLVING 2 EXTERNAL ORBITALS= 0.11 TIME FOR 2-BODY FORMULAE INVOLVING 2 EXTERNAL ORBITALS= 0.04 DONE EVALUATING PERTURBATIONS TO STATE 1 TIME FOR PERTURBATION TREATMENT = 3.20 EVALUATING MATRIX ELEMENTS BETWEEN STATE 2 AND ALL OTHER STATES. TIME FOR 0-BODY FORMULAE = 0.07 TIME FOR 1-BODY FORMULAE = 0.11 TIME FOR 2-BODY FORMULAE = 0.02 TIME FOR 3-BODY FORMULAE = 0.00 TIME FOR 0-BODY FORMULAE INVOLVING 2 EXTERNAL ORBITALS= 0.88 TIME FOR 1-BODY FORMULAE INVOLVING 2 EXTERNAL ORBITALS= 0.11 TIME FOR 2-BODY FORMULAE INVOLVING 2 EXTERNAL ORBITALS= 0.04 DONE EVALUATING PERTURBATIONS TO STATE 2 TIME FOR PERTURBATION TREATMENT = 1.83 EVALUATING MATRIX ELEMENTS BETWEEN STATE 3 AND ALL OTHER STATES. TIME FOR 0-BODY FORMULAE = 0.06 TIME FOR 1-BODY FORMULAE = 0.16 TIME FOR 2-BODY FORMULAE = 0.02 TIME FOR 3-BODY FORMULAE = 0.00 TIME FOR 0-BODY FORMULAE INVOLVING 2 EXTERNAL ORBITALS= 0.86 TIME FOR 1-BODY FORMULAE INVOLVING 2 EXTERNAL ORBITALS= 0.11 TIME FOR 2-BODY FORMULAE INVOLVING 2 EXTERNAL ORBITALS= 0.05 DONE EVALUATING PERTURBATIONS TO STATE 3 TIME FOR PERTURBATION TREATMENT = 1.58 MULTICONFIGURATION QUASIDEGENERATE PERTURBATION (MCQDPT) ENERGY FOR 3 STATES ########################### ### MCQDPT2 RESULTS ### ########################### *** EFFECTIVE HAMILTONIAN (AT SECOND ORDER) *** 1 2 3 1 -2.047301E+03 2 1.980548E-04-2.047194E+03 3 -6.166512E-04-1.468216E-02-2.047159E+03 *** ZEROTH ORDER ENERGIES *** STATE 0TH ORDER 1 -478.0041095651 2 -477.8419172179 3 -477.6283986704 *** DIAGONAL ELEMENTS OF EFFECTIVE HAMILTONIAN *** STATE 2ND ORDER 1 E(MRMP2)= -2047.3009613295 2 E(MRMP2)= -2047.1943443854 3 E(MRMP2)= -2047.1587311433 THE DIAGONAL ELEMENTS ARE ALMOST THE STATE-SPECIFIC E(MRMP2) CORRECTIONS. HOWEVER, THEY DIFFER SLIGHTLY BECAUSE OF THE USE OF STATE-AVERAGED, RATHER THAN STATE-SPECIFIC CANONICAL ORBITALS. *** MCQDPT2 ENERGIES *** STATE 1ST ORDER 2ND ORDER 1 E(MCSCF)= -2043.6513774204 E(MP2)= -2047.3009641749 2 E(MCSCF)= -2043.4818059159 E(MP2)= -2047.1996167857 3 E(MCSCF)= -2043.4624067890 E(MP2)= -2047.1534558976 THE UNPERTURBED CAS-CI STATE(S) WERE PRINTED ABOVE *** PERTURBED MCQDPT STATES *** (FROM DIAGONALIZATION OF 2ND ORDER EFFECTIVE HAMILTONIAN) THE ROTATION FROM CAS-CI STATES (ROWS) TO QDPT STATES (COLUMNS) IS 1 2 3 1 0.9999903 0.0002172 -0.0043883 2 -0.0012787 -0.9411572 -0.3379667 3 0.0042035 -0.3379691 0.9411478 STATE # 1 ENERGY = -2047.300964175 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 0.956234 2200 2 0.073546 2+-0 4 -0.163631 2020 6 -0.051781 2002 7 0.079709 +2-0 10 -0.133901 +-+- 11 0.059913 ++-- 12 -0.073668 +-02 15 -0.050662 0220 17 -0.100939 0202 STATE # 2 ENERGY = -2047.199616786 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 1 -0.086718 2200 2 0.953553 2+-0 3 -0.065890 2+0- 5 -0.137228 20+- 7 -0.125077 +2-0 8 0.061931 +20- 9 0.108677 +-20 11 0.054258 ++-- 14 -0.071961 +0-2 19 -0.102977 0+-2 STATE # 3 ENERGY = -2047.153455898 CSF COEF OCCUPANCY (IGNORING CORE) --- ---- --------- --------- ----- 2 -0.062923 2+-0 3 0.462206 2+0- 4 -0.613248 2020 5 -0.176741 20+- 6 0.159831 2002 7 -0.413441 +2-0 8 -0.058992 +20- 9 -0.235380 +-20 10 -0.061094 +-+- 11 0.194396 ++-- 12 0.124786 +-02 15 0.173941 0220 16 0.134285 02+- 17 -0.064873 0202 18 0.075623 0+2- ...... END OF MC-QDPT2 (MR-MP2) CALCULATION ...... ..... DONE WITH MP2 ENERGY ..... CPU 0: STEP CPU TIME= 289.64 TOTAL CPU TIME= 885.0 ( 14.7 MIN) TOTAL WALL CLOCK TIME= 1504.3 SECONDS, CPU UTILIZATION IS 58.83% 392258856 WORDS OF DYNAMIC MEMORY USED EXECUTION OF GAMESS TERMINATED NORMALLY 01:32:49 16-JUL-2026 DDI: 1152187680 bytes (1098.8 MB / 137 MWords) used by master data server. ---------------------------------------- CPU timing information for all processes ======================================== 0: 719.434 + 175.835 = 895.269 1: 698.72 + 141.537 = 839.609 2: 677.46 + 86.781 = 763.828 3: 703.394 + 153.247 = 856.642 4: 720.31 + 205.786 = 925.818 5: 710.699 + 173.890 = 884.590 6: 715.711 + 183.235 = 898.947 7: 719.731 + 214.338 = 934.70 8: 721.693 + 199.759 = 921.453 9: 701.101 + 154.997 = 856.98 10: 674.12 + 88.719 = 762.731 11: 717.602 + 206.150 = 923.752 12: 715.840 + 198.818 = 914.659 13: 704.769 + 145.199 = 849.968 14: 672.610 + 93.676 = 766.287 15: 696.945 + 144.547 = 841.492 16: 674.213 + 93.743 = 767.957 17: 698.876 + 141.406 = 840.282 18: 676.337 + 82.367 = 758.704 19: 687.612 + 126.323 = 813.935 20: 679.273 + 85.59 = 764.333 21: 715.594 + 173.399 = 888.994 22: 674.540 + 93.267 = 767.807 23: 697.696 + 142.632 = 840.329 24: 679.89 + 87.76 = 766.166 25: 710.409 + 177.715 = 888.125 26: 678.493 + 86.188 = 764.682 27: 689.683 + 137.760 = 827.444 28: 715.920 + 177.739 = 893.660 29: 694.509 + 155.715 = 850.225 30: 336.446 + 1173.901 = 1510.348 31: 319.111 + 1190.213 = 1509.324 32: 369.555 + 1140.602 = 1510.158 33: 308.200 + 1200.915 = 1509.116 34: 332.189 + 1177.739 = 1509.928 35: 311.336 + 1197.915 = 1509.251 36: 346.49 + 1164.126 = 1510.175 37: 311.885 + 1197.163 = 1509.48 38: 330.164 + 1180.84 = 1510.249 39: 310.310 + 1198.964 = 1509.274 40: 359.833 + 1150.586 = 1510.419 41: 317.307 + 1191.574 = 1508.882 42: 327.538 + 1182.907 = 1510.445 43: 305.53 + 1204.359 = 1509.413 44: 360.529 + 1149.808 = 1510.337 45: 299.744 + 1209.561 = 1509.306 46: 325.732 + 1184.480 = 1510.213 47: 333.15 + 1176.256 = 1509.271 48: 363.106 + 1147.172 = 1510.279 49: 297.290 + 1212.00 = 1509.290 50: 333.425 + 1176.617 = 1510.43 51: 346.548 + 1162.850 = 1509.398 52: 338.521 + 1171.926 = 1510.447 53: 304.931 + 1204.326 = 1509.257 54: 324.329 + 1185.979 = 1510.309 55: 306.545 + 1202.748 = 1509.294 56: 340.55 + 1170.269 = 1510.324 57: 310.202 + 1199.108 = 1509.311 58: 320.918 + 1189.303 = 1510.222 59: 314.514 + 1194.814 = 1509.329 ---------------------------------------- ----- accounting info ----- Files used on the parent node node8 were: -rw-rw-r-- 1 user user 3302564 Jul 16 01:07 /lscratch/34516.master/dae-xpt.F05 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F08 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:22 /lscratch/34516.master/dae-xpt.F08.001 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:23 /lscratch/34516.master/dae-xpt.F08.002 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:22 /lscratch/34516.master/dae-xpt.F08.003 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F08.004 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F08.005 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F08.006 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F08.007 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F08.008 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:22 /lscratch/34516.master/dae-xpt.F08.009 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:23 /lscratch/34516.master/dae-xpt.F08.010 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F08.011 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F08.012 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:22 /lscratch/34516.master/dae-xpt.F08.013 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:23 /lscratch/34516.master/dae-xpt.F08.014 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:22 /lscratch/34516.master/dae-xpt.F08.015 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:23 /lscratch/34516.master/dae-xpt.F08.016 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:22 /lscratch/34516.master/dae-xpt.F08.017 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F08.018 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:23 /lscratch/34516.master/dae-xpt.F08.019 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:23 /lscratch/34516.master/dae-xpt.F08.020 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F08.021 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:23 /lscratch/34516.master/dae-xpt.F08.022 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:22 /lscratch/34516.master/dae-xpt.F08.023 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:23 /lscratch/34516.master/dae-xpt.F08.024 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F08.025 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:23 /lscratch/34516.master/dae-xpt.F08.026 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:23 /lscratch/34516.master/dae-xpt.F08.027 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F08.028 -rw-rw-r-- 1 user user 22249963232 Jul 16 01:22 /lscratch/34516.master/dae-xpt.F08.029 -rw-rw-r-- 1 user user 26961280 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F10 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.001 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.002 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.003 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.004 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.005 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.006 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.007 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.008 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.009 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.010 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.011 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.012 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.013 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.014 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.015 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.016 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.017 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.018 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.019 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.020 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.021 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.022 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.023 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.024 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.025 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.026 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.027 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.028 -rw-rw-r-- 1 user user 276488 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F11.029 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.001 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.002 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.003 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.004 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.005 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.006 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.007 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.008 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.009 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.010 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.011 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.012 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.013 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.014 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.015 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.016 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.017 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.018 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.019 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.020 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.021 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.022 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.023 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.024 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.025 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.026 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.027 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.028 -rw-rw-r-- 1 user user 688 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F12.029 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.001 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.002 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.003 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.004 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.005 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.006 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.007 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.008 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.009 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.010 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.011 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.012 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.013 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.014 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.015 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.016 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.017 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.018 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.019 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.020 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.021 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.022 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.023 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.024 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.025 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.026 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.027 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.028 -rw-rw-r-- 1 user user 400008 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F14.029 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.001 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.002 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.003 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.004 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.005 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.006 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.007 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.008 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.009 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.010 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.011 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.012 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.013 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.014 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.015 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.016 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.017 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.018 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.019 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.020 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.021 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.022 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.023 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.024 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.025 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.026 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.027 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.028 -rw-rw-r-- 1 user user 160384 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F15.029 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.001 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.002 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.003 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.004 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.005 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.006 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.007 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.008 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.009 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.010 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.011 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.012 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.013 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.014 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.015 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.016 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.017 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.018 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.019 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.020 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.021 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.022 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.023 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.024 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.025 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.026 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.027 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.028 -rw-rw-r-- 1 user user 240216 Jul 16 01:16 /lscratch/34516.master/dae-xpt.F16.029 -rw-rw-r-- 1 user user 8069424 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F50 -rw-rw-r-- 1 user user 120 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51 -rw-rw-r-- 1 user user 184 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.001 -rw-rw-r-- 1 user user 184 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.002 -rw-rw-r-- 1 user user 120 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.003 -rw-rw-r-- 1 user user 168 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.004 -rw-rw-r-- 1 user user 120 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.005 -rw-rw-r-- 1 user user 184 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.006 -rw-rw-r-- 1 user user 184 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.007 -rw-rw-r-- 1 user user 168 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.008 -rw-rw-r-- 1 user user 240 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.009 -rw-rw-r-- 1 user user 192 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.010 -rw-rw-r-- 1 user user 168 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.011 -rw-rw-r-- 1 user user 184 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.012 -rw-rw-r-- 1 user user 184 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.013 -rw-rw-r-- 1 user user 120 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.014 -rw-rw-r-- 1 user user 168 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.015 -rw-rw-r-- 1 user user 120 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.016 -rw-rw-r-- 1 user user 184 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.017 -rw-rw-r-- 1 user user 184 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.018 -rw-rw-r-- 1 user user 120 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F51.019 -rw-rw-r-- 1 user user 0 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F51.020 -rw-rw-r-- 1 user user 0 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F51.021 -rw-rw-r-- 1 user user 0 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F51.022 -rw-rw-r-- 1 user user 0 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F51.023 -rw-rw-r-- 1 user user 0 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F51.024 -rw-rw-r-- 1 user user 0 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F51.025 -rw-rw-r-- 1 user user 0 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F51.026 -rw-rw-r-- 1 user user 0 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F51.027 -rw-rw-r-- 1 user user 0 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F51.028 -rw-rw-r-- 1 user user 0 Jul 16 01:21 /lscratch/34516.master/dae-xpt.F51.029 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.001 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.002 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.003 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.004 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.005 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.006 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.007 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.008 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.009 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.010 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.011 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.012 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.013 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.014 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.015 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.016 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.017 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.018 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.019 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.020 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.021 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.022 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.023 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.024 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.025 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.026 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.027 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.028 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F52.029 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.001 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.002 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.003 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.004 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.005 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.006 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.007 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.008 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.009 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.010 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.011 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.012 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.013 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.014 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.015 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.016 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.017 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.018 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.019 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.020 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.021 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.022 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.023 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.024 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.025 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.026 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.027 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.028 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F53.029 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.001 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.002 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.003 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.004 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.005 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.006 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.007 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.008 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.009 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.010 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.011 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.012 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.013 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.014 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.015 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.016 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.017 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.018 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.019 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.020 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.021 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.022 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.023 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.024 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.025 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.026 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.027 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.028 -rw-rw-r-- 1 user user 7648 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F54.029 -rw-rw-r-- 1 user user 949929616 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55 -rw-rw-r-- 1 user user 1068750632 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.001 -rw-rw-r-- 1 user user 1229699424 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.002 -rw-rw-r-- 1 user user 1096065680 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.003 -rw-rw-r-- 1 user user 1020472424 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.004 -rw-rw-r-- 1 user user 1066188504 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.005 -rw-rw-r-- 1 user user 1097123016 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.006 -rw-rw-r-- 1 user user 1221140376 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.007 -rw-rw-r-- 1 user user 1280095488 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.008 -rw-rw-r-- 1 user user 1137599960 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.009 -rw-rw-r-- 1 user user 1029063408 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.010 -rw-rw-r-- 1 user user 1068638696 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.011 -rw-rw-r-- 1 user user 1232881000 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.012 -rw-rw-r-- 1 user user 1124558232 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.013 -rw-rw-r-- 1 user user 1120149944 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.014 -rw-rw-r-- 1 user user 953790840 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.015 -rw-rw-r-- 1 user user 1074229176 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.016 -rw-rw-r-- 1 user user 1218283944 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.017 -rw-rw-r-- 1 user user 1092250360 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.018 -rw-rw-r-- 1 user user 1014047912 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.019 -rw-rw-r-- 1 user user 1056176032 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.020 -rw-rw-r-- 1 user user 1096827064 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.021 -rw-rw-r-- 1 user user 1208170184 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.022 -rw-rw-r-- 1 user user 1274630984 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.023 -rw-rw-r-- 1 user user 1129589416 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.024 -rw-rw-r-- 1 user user 1013953832 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.025 -rw-rw-r-- 1 user user 1056602024 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.026 -rw-rw-r-- 1 user user 1222192256 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.027 -rw-rw-r-- 1 user user 1112833256 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.028 -rw-rw-r-- 1 user user 1112056480 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F55.029 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.001 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.002 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.003 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.004 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.005 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.006 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.007 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.008 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.009 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.010 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.011 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.012 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.013 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.014 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.015 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.016 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.017 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.018 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.019 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.020 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.021 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.022 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.023 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.024 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.025 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.026 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.027 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.028 -rw-rw-r-- 1 user user 0 Jul 16 01:24 /lscratch/34516.master/dae-xpt.F56.029 -rw-rw-r-- 1 user user 9484472 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57 -rw-rw-r-- 1 user user 9470496 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.001 -rw-rw-r-- 1 user user 9472856 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.002 -rw-rw-r-- 1 user user 9461120 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.003 -rw-rw-r-- 1 user user 9455544 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.004 -rw-rw-r-- 1 user user 9474696 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.005 -rw-rw-r-- 1 user user 9421392 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.006 -rw-rw-r-- 1 user user 9434152 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.007 -rw-rw-r-- 1 user user 9465528 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.008 -rw-rw-r-- 1 user user 9500008 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.009 -rw-rw-r-- 1 user user 9459352 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.010 -rw-rw-r-- 1 user user 9481480 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.011 -rw-rw-r-- 1 user user 9508744 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.012 -rw-rw-r-- 1 user user 9476160 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.013 -rw-rw-r-- 1 user user 9518888 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.014 -rw-rw-r-- 1 user user 9467520 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.015 -rw-rw-r-- 1 user user 9394192 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.016 -rw-rw-r-- 1 user user 9404624 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.017 -rw-rw-r-- 1 user user 9399744 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.018 -rw-rw-r-- 1 user user 9396864 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.019 -rw-rw-r-- 1 user user 9399440 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.020 -rw-rw-r-- 1 user user 9359408 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.021 -rw-rw-r-- 1 user user 9358384 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.022 -rw-rw-r-- 1 user user 9384576 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.023 -rw-rw-r-- 1 user user 9425440 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.024 -rw-rw-r-- 1 user user 9407288 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.025 -rw-rw-r-- 1 user user 9411392 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.026 -rw-rw-r-- 1 user user 9450392 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.027 -rw-rw-r-- 1 user user 9424504 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.028 -rw-rw-r-- 1 user user 9452816 Jul 16 01:29 /lscratch/34516.master/dae-xpt.F57.029 -rw-rw-r-- 1 user user 61656360 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58 -rw-rw-r-- 1 user user 61654784 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.001 -rw-rw-r-- 1 user user 61652136 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.002 -rw-rw-r-- 1 user user 61652072 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.003 -rw-rw-r-- 1 user user 61656856 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.004 -rw-rw-r-- 1 user user 61657888 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.005 -rw-rw-r-- 1 user user 61657144 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.006 -rw-rw-r-- 1 user user 61656944 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.007 -rw-rw-r-- 1 user user 61661416 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.008 -rw-rw-r-- 1 user user 61661992 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.009 -rw-rw-r-- 1 user user 61656528 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.010 -rw-rw-r-- 1 user user 61657712 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.011 -rw-rw-r-- 1 user user 61654496 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.012 -rw-rw-r-- 1 user user 61655472 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.013 -rw-rw-r-- 1 user user 61654936 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.014 -rw-rw-r-- 1 user user 61655912 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.015 -rw-rw-r-- 1 user user 61707600 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.016 -rw-rw-r-- 1 user user 61706072 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.017 -rw-rw-r-- 1 user user 61710768 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.018 -rw-rw-r-- 1 user user 61708640 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.019 -rw-rw-r-- 1 user user 61710872 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.020 -rw-rw-r-- 1 user user 61660368 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.021 -rw-rw-r-- 1 user user 61657240 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.022 -rw-rw-r-- 1 user user 61657056 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.023 -rw-rw-r-- 1 user user 61658160 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.024 -rw-rw-r-- 1 user user 61656416 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.025 -rw-rw-r-- 1 user user 61656448 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.026 -rw-rw-r-- 1 user user 61656008 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.027 -rw-rw-r-- 1 user user 61658336 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.028 -rw-rw-r-- 1 user user 61658496 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F58.029 -rw-rw-r-- 1 user user 448569288 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59 -rw-rw-r-- 1 user user 448569032 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.001 -rw-rw-r-- 1 user user 448568800 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.002 -rw-rw-r-- 1 user user 448569104 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.003 -rw-rw-r-- 1 user user 448569376 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.004 -rw-rw-r-- 1 user user 448569216 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.005 -rw-rw-r-- 1 user user 448569336 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.006 -rw-rw-r-- 1 user user 448569128 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.007 -rw-rw-r-- 1 user user 448569376 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.008 -rw-rw-r-- 1 user user 448569512 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.009 -rw-rw-r-- 1 user user 448569128 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.010 -rw-rw-r-- 1 user user 448568824 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.011 -rw-rw-r-- 1 user user 448568840 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.012 -rw-rw-r-- 1 user user 448569120 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.013 -rw-rw-r-- 1 user user 448568992 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.014 -rw-rw-r-- 1 user user 448568880 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.015 -rw-rw-r-- 1 user user 448958816 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.016 -rw-rw-r-- 1 user user 448958792 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.017 -rw-rw-r-- 1 user user 448959128 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.018 -rw-rw-r-- 1 user user 448959048 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.019 -rw-rw-r-- 1 user user 448959616 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.020 -rw-rw-r-- 1 user user 448569088 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.021 -rw-rw-r-- 1 user user 448569352 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.022 -rw-rw-r-- 1 user user 448569168 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.023 -rw-rw-r-- 1 user user 448569296 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.024 -rw-rw-r-- 1 user user 448568808 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.025 -rw-rw-r-- 1 user user 448569288 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.026 -rw-rw-r-- 1 user user 448568968 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.027 -rw-rw-r-- 1 user user 448569168 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.028 -rw-rw-r-- 1 user user 448569152 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F59.029 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.001 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.002 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.003 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.004 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.005 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.006 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.007 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.008 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.009 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.010 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.011 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.012 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.013 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.014 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.015 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.016 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.017 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.018 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.019 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.020 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.021 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.022 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.023 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.024 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.025 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.026 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.027 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.028 -rw-rw-r-- 1 user user 515607680 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F60.029 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.001 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.002 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.003 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.004 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.005 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.006 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.007 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.008 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.009 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.010 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.011 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.012 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.013 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.014 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.015 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.016 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.017 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.018 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.019 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.020 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.021 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.022 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.023 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.024 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.025 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.026 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.027 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.028 -rw-rw-r-- 1 user user 2080 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F61.029 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.001 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.002 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.003 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.004 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.005 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.006 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.007 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.008 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.009 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.010 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.011 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.012 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.013 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.014 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.015 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.016 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.017 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.018 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.019 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.020 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.021 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.022 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.023 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.024 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.025 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.026 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.027 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.028 -rw-rw-r-- 1 user user 11200 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F62.029 -rw-rw-r-- 1 user user 3299498 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.001 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.002 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.003 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.004 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.005 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.006 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.007 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.008 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.009 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.010 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.011 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.012 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.013 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.014 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.015 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.016 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.017 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.018 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.019 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.020 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.021 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.022 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.023 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.024 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.025 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.026 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.027 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.028 -rw-rw-r-- 1 user user 44 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F63.029 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.001 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.002 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.003 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.004 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.005 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.006 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.007 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.008 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.009 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.010 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.011 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.012 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.013 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.014 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.015 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.016 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.017 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.018 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.019 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.020 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.021 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.022 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.023 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.024 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.025 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.026 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.027 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.028 -rw-rw-r-- 1 user user 972 Jul 16 01:32 /lscratch/34516.master/dae-xpt.F64.029 -rw-rw-r-- 1 user user 6 Jul 16 01:07 /lscratch/34516.master/dae-xpt.nodes.mpd Thu Jul 16 01:33:11 IST 2026 30745.768u 39887.052s 25:31.90 4610.7% 0+0k 4089626552+1431085040io 9136958pf+0w