MMs02474015 MOE2007 2D CORINA 3.40 0006 02.08.2006 81 84 0 0 1 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3369 -0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5944 0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9951 -0.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9384 0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4364 0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2527 1.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7143 3.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8795 4.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1380 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7506 2.0271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5063 1.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5381 4.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7043 3.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1530 3.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9706 2.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0273 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4164 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8655 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0307 0.1450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2891 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6892 -0.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9017 -2.1204 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.1017 -2.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4038 -2.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5876 -3.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2693 -4.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8463 -3.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6266 1.5732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9194 5.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4686 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6897 4.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1711 5.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7079 6.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7633 7.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8002 5.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4633 6.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3840 7.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6415 8.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2652 3.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 2.0245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6721 1.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 2.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3842 -1.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5442 1.0695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0695 0.5442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5442 -1.0695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 -1.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1558 -1.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9818 -0.3797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 4.8023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5683 -1.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3892 -3.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2004 -5.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8147 -5.8632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3382 -4.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9142 -4.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6020 -4.2177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7785 -2.5299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4065 0.9266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6670 2.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5308 3.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5117 5.0892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7100 6.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1509 3.8965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3492 4.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9913 5.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1504 6.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1131 5.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2722 6.6161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5752 4.8945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 4.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9553 2.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5502 3.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2252 -2.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6954 -3.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5431 -1.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1893 6.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0471 8.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 9.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6187 7.8531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 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