MMs02515788 MOE2007 2D CORINA 3.40 0006 02.08.2006 78 80 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 -0.7503 -1.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2503 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 -2.5981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5994 -1.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -3.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -3.8966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4994 -2.5984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -3.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4987 -5.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -3.8980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1490 -2.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4987 -5.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 -6.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2484 -6.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4981 -7.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -9.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7478 -9.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4981 -7.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4994 -2.5992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 -2.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7490 -3.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7497 -1.3007 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5906 -0.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1399 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2549 1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5537 0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 -1.1443 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4006 -0.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2449 -2.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8738 -3.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7122 -1.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1761 -0.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7156 -3.0627 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3156 -2.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2518 -4.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2552 -5.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7913 -7.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7947 -8.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2620 -7.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7259 -6.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7225 -5.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2654 -8.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0391 -0.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6003 1.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 0.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3503 -0.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -0.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4503 -1.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2506 -2.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -2.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8512 -4.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0996 -1.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4182 -4.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4178 -5.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9485 -5.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2981 -7.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6475 -10.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3475 -10.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6981 -7.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8996 -1.5598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 -0.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4348 1.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3633 1.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9605 2.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0421 1.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6949 -0.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1924 -3.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5127 -5.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6175 -7.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4236 -9.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8997 -6.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0936 -4.1515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4393 -8.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9857 -3.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1829 -2.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5540 -1.6100 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 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 48 1 0 0 0 0 3 49 1 0 0 0 0 3 50 1 0 0 0 0 3 51 1 0 0 0 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