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S48 |
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Michel R, Kappes M, Adelmann P, Roth G |
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Angewandte Chemie 106 (1994) 1742-1746 |
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Preparation and Crystal Structure of C76(S8)6: A First Step towards the |
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Crystallography of Higher Fullerenes |
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_cod_database_code 1001668 |
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_database_code_amcsd 0011993 |
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10.410 20.500 19.480 90 98.8 90 Cm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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S1 .75780 .88903 .39632 .0308 .0780 .0395 -.0070 .0071 -.0108 |
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S2 .76072 .79082 .41529 .0254 .0807 .0370 -.0019 .0030 .0021 |
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S3 .5724 .75865 .40458 .0293 .0845 .0369 -.0061 .0109 .0000 |
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S4 .5342 .71481 .30941 .0396 .0805 .0427 -.0086 .0018 -.0040 |
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S5 .4240 .77831 .24402 .0320 .1010 .0502 -.0094 -.0060 .0012 |
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S6 .5478 .82777 .19004 .0461 .0910 .0349 -.0037 .0025 -.0018 |
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S7 .5894 .91431 .24056 .0391 .0800 .0483 .0023 .0060 .0036 |
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S8 .7734 .9045 .29441 .0298 .0879 .0432 -.0100 .0093 .0015 |
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S9 .0218 .5 .41960 .0255 .071 .0548 0 .0154 0 |
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S10 .94112 .41955 .45780 .0264 .0828 .0544 .0051 .0096 .0194 |
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S11 .79318 .38835 .38403 .0326 .0605 .0599 .0025 .0177 -.0020 |
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S12 .62409 .41919 .41643 .0277 .0664 .0493 .0025 .0128 .0114 |
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S13 .5619 .5 .35995 .0297 .0640 .0295 0 -.0022 0 |
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S14 .9197 0 .52212 .0398 .077 .0441 0 .0200 0 |
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S15 .9215 -.08089 .58369 .0279 .0850 .0558 .0104 .0066 .0140 |
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S16 .73375 -.11450 .57601 .0321 .0714 .0374 .0075 .0089 .0077 |
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S17 .6574 -.08057 .65985 .0433 .0828 .0320 .0081 .0121 .0147 |
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S18 .5480 0 .62907 .0280 .0693 .0430 0 .0135 0 |
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S19 .7283 .40639 .70364 .0332 .0911 .0487 .0119 .0145 .0106 |
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S20 .7728 .40414 .60485 .0352 .0922 .0403 .0054 .0027 .0194 |
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S21 .7622 .30922 .57174 .0366 .0984 .0399 -.0066 .0000 .0013 |
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S22 .9455 .27028 .58826 .0437 .0898 .0382 -.0007 .0091 -.0043 |
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S23 .9640 .21964 .67978 .0660 .0588 .0507 -.0038 .0026 -.0034 |
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S24 .0673 .27541 .75588 .0421 .0573 .0420 .0025 -.0049 .0095 |
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S25 .9341 .31792 .80979 .0545 .0658 .0312 -.0064 .0079 .0104 |
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S26 .8988 .41000 .77111 .0443 .0602 .0360 .0056 .0097 .0013 |
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C1 -.0028 .0029 .0023 .01 |
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C2 -.2208 -.0469 .1093 .276 |
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C3 -.1575 .0110 .1469 .276 |
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C4 .1737 .0602 -.1222 .276 |
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C5 .1916 -.0119 -.1262 .276 |
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C6 -.3174 -.0390 .0522 .276 |
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C7 -.0363 -.0006 .1858 .551 |
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C8 .0567 .0852 -.1563 .276 |
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C9 .2842 -.0403 -.0759 .276 |
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C10 -.345 -.0809 -.0071 .276 |
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C11 .0517 .0534 .1988 .276 |
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C12 .0035 .1445 -.1332 .276 |
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C13 .2767 -.1059 -.0511 .276 |
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C14 -.2820 -.1401 -.0043 .276 |
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C15 .0145 .1156 .1776 .276 |
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C16 .0708 .1811 -.0805 .276 |
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C17 .1818 -.1455 -.0858 .276 |
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C18 -.1897 -.1546 .0574 .276 |
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C19 -.1104 .1307 .1380 .276 |
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C20 .1959 .1584 -.0463 .276 |
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C21 .0847 -.1216 -.1409 .276 |
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C22 -.1497 -.1092 .1114 .276 |
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C23 -.1953 .0771 .1208 .276 |
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C24 .246 .0970 -.0635 .276 |
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C25 .0868 -.0548 -.1596 .276 |
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C26 -.0135 -.1098 .1489 .276 |
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C27 -.2909 .0819 .0558 .276 |
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C28 .3301 .0614 -.0066 .276 |
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C29 -.0355 -.0188 -.1874 .276 |
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C30 .0459 -.0547 .1837 .276 |
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C31 -.3450 .0238 .0258 .276 |
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C32 .3436 -.0058 -.0174 .276 |
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C33 -.0551 .0494 -.1828 .276 |
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C34 .1805 -.0367 .1866 .276 |
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C35 -.3776 .0162 -.0482 .276 |
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C36 .360 -.0490 .0408 .276 |
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C37 -.1752 .0787 -.1701 .276 |
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C38 .2647 -.0656 .1450 .276 |
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C39 -.3374 .0642 -.0918 .276 |
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C40 .3432 -.0234 .1060 .276 |
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C41 -.2779 .0410 -.1511 .276 |
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C42 .2050 -.1270 .1232 .276 |
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C43 -.296 .1252 -.0609 .276 |
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C44 .3354 .0448 .1194 .276 |
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C45 -.2592 -.0258 -.1677 .276 |
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C46 .2471 -.1513 .0615 .276 |
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C47 -.2030 .1634 -.0899 .276 |
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C48 .2602 .0733 .1671 .276 |
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C49 -.319 -.0731 -.1285 .276 |
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C50 .0757 -.1519 .1253 .276 |
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C51 -.2799 .1351 .0129 .276 |
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C52 .3435 .0860 .0606 .276 |
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C53 -.1471 -.0569 -.1883 .276 |
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C54 .1469 -.1938 .0251 .276 |
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C55 -.1293 .2021 -.0349 .276 |
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C56 .2254 .1383 .1407 .276 |
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C57 -.2479 -.1344 -.1248 .276 |
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C58 .0431 -.1935 .0659 .276 |
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C59 -.1808 .1842 .0267 .276 |
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C60 .2794 .1444 .0776 .276 |
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C61 -.1430 -.1233 -.1634 .276 |
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C62 -.0864 -.1959 .0397 .276 |
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C63 -.1004 .1827 .0890 .276 |
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C64 .2092 .1797 .0252 .276 |
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C65 -.0337 -.1574 -.1357 .276 |
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C66 .1197 -.1922 -.0460 .276 |
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C67 .0019 .2122 -.0304 .276 |
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C68 .1047 .1589 .1508 .276 |
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C69 -.2348 -.1682 -.0636 .276 |
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C70 -.1173 -.2015 -.0348 .276 |
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C71 .0365 .1979 .0961 .276 |
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C72 .0880 .2102 .0344 .276 |
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C73 -.0156 -.1982 -.0746 .276 |
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C74 .3155 -.1128 .0221 .276 |
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C75 -.1353 .1401 -.1402 .276 |
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C76 .1820 .0317 .1973 .276 |
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C77 -.3719 -.0488 -.0728 .276 |
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C78 -.0018 -.0047 .0012 .01 |
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C79 -.2747 -.0345 .0780 .224 |
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C80 -.2658 .0384 .0796 .224 |
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C81 .2467 .0153 -.0964 .224 |
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C82 .2926 -.0421 -.0523 .224 |
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C83 -.3277 -.0628 .0149 .224 |
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C84 -.1782 .0666 .1321 .224 |
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C85 .1511 .0107 -.1548 .224 |
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C86 .3504 -.0246 .0142 .224 |
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C87 -.2926 -.1283 -.0004 .224 |
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C88 -.1191 .1288 .1233 .224 |
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C89 .0478 .0532 -.1847 .224 |
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C90 .3467 -.0725 .0676 .224 |
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C91 -.2111 -.1643 .0472 .224 |
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C92 -.1536 .1664 .0654 .224 |
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C93 .0637 .1155 -.1585 .224 |
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C94 .2984 -.1344 .0543 .224 |
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C95 -.1566 -.1380 .1138 .224 |
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C96 -.2525 .1412 .0121 .224 |
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C97 .1659 .1315 -.1021 .224 |
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C98 .2427 -.1521 -.0156 .224 |
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C99 -.1834 -.0720 .1286 .224 |
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C100 -.3043 .0774 .0161 .224 |
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C101 .2514 .0825 -.0690 .224 |
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C102 .2300 -.1058 -.0705 .224 |
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C103 -.0773 -.0394 .1768 .224 |
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C104 -.3486 .0362 -.0464 .224 |
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C105 .3018 .0899 .0067 .224 |
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C106 .1215 -.1072 -.1303 .224 |
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C107 -.0854 .0291 .1746 .224 |
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C108 -.3526 -.0328 -.0508 .224 |
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C109 .3464 .0356 .0486 .224 |
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C110 .0885 -.0498 -.1685 .224 |
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C111 .0269 .0711 .1859 .224 |
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C112 -.3188 -.0766 -.1032 .224 |
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C113 .3258 .0294 .1198 .224 |
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C114 -.0469 -.0439 -.1958 .224 |
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C115 .1511 .0428 .1893 .224 |
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C116 -.2602 -.0499 -.1575 .224 |
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C117 .2439 .0731 .1489 .224 |
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C118 -.1445 -.0838 -.1753 .224 |
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C119 .1590 -.0261 .1988 .224 |
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C120 -.2798 .0190 -.1610 .224 |
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C121 .2203 .1306 .1073 .224 |
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C122 -.1043 -.1430 -.1401 .224 |
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C123 .2537 -.0661 .1737 .224 |
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C124 -.1867 .0551 -.1921 .224 |
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C125 .1018 .1630 .1153 .224 |
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C126 -.1769 -.1714 -.0912 .224 |
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C127 .0454 -.0662 .1972 .224 |
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C128 -.3282 .0604 -.1109 .224 |
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C129 .2501 .1425 .0390 .224 |
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C130 .0326 -.1568 -.1229 .224 |
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C131 .2019 -.1312 .1588 .224 |
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C132 -.1805 .1212 -.1639 .224 |
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C133 .0556 .1993 .0524 .224 |
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C134 -.0870 -.2083 -.0415 .224 |
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C135 .0714 -.1307 .1740 .224 |
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C136 -.2694 .1237 -.1143 .224 |
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C137 .1499 .1862 .0077 .224 |
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C138 .0366 -.1994 -.0641 .224 |
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C139 -.0281 -.1649 .1359 .224 |
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C140 -.2343 .1623 -.0569 .224 |
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C141 .1111 .1816 -.0626 .224 |
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C142 .1384 -.1976 -.0110 .224 |
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C143 .2223 -.1655 .1010 .224 |
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C144 -.0584 .1484 -.1556 .224 |
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C145 -.0728 .2017 .0238 .224 |
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C146 -.1145 -.2069 .0252 .224 |
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C147 -.0038 -.2054 .0787 .224 |
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C148 -.1131 .1977 -.0502 .224 |
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C149 -.0222 .1888 -.0959 .224 |
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C150 .1223 -.2037 .0610 .224 |
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C151 .3327 -.0391 .1309 .224 |
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C152 -.0768 .0234 -.2062 .224 |
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C153 .0153 .1321 .1513 .224 |
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C154 -.2781 -.1369 -.0715 .224 |
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