MMs02513885 MOE2007 2D CORINA 3.40 0006 02.08.2006 79 82 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 1.4249 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7316 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5432 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2365 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9681 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0864 -1.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5113 -0.5939 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6628 0.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 0.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6296 -1.5937 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5903 -2.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4780 -3.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8505 -3.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8502 -2.5730 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1608 -3.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0957 -1.2766 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8411 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3411 0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0957 -1.2661 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6957 -2.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3502 -2.5677 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7502 -1.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1048 -3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6048 -3.8589 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0048 -4.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3502 -2.5572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9502 -3.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5956 -1.2608 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3411 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8411 0.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5956 -1.2502 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.1956 -0.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8502 -2.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0956 -1.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8411 0.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5865 1.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3594 -5.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2310 -0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3748 1.1400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -0.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3748 -1.1400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5764 1.3171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 1.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 3.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 2.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 -2.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1311 -2.7993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 0.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 0.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1434 -1.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6535 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9927 0.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 2.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6434 1.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3034 -2.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1112 -4.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2541 -4.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8238 -4.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7120 0.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0453 1.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1286 1.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4673 0.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9786 -4.2785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3173 -5.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2120 0.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5453 1.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6285 1.2272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9672 0.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6460 -3.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9793 -2.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6993 -2.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9245 -0.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9191 0.8037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9828 2.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7630 -6.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2115 0.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5392 0.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2504 -0.7427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 43 1 0 0 0 0 3 44 1 0 0 0 0 3 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