MMs01255711 MOE2007 2D CORINA 3.40 0006 02.08.2006 79 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 1.4254 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7335 1.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1589 2.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2762 1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9681 -0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 -0.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7016 1.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1186 2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5535 3.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0244 1.1650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1672 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6591 -1.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7316 0.3690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5241 1.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2999 -0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5761 -1.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7996 -0.0587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5235 1.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0232 1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7990 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2987 0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0746 -1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3507 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8510 -2.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0752 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5755 -1.3425 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1755 -2.3817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8516 -2.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3519 -2.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6281 -4.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4039 -5.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9036 -5.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6275 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1266 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6263 -3.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5743 -1.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2981 0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2844 3.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8281 3.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4109 5.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4501 6.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9065 5.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3237 4.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 7.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3737 1.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1403 -0.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3737 -1.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 2.7359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2821 2.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8619 -0.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2962 -1.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7751 -0.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2921 2.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 1.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3879 1.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7082 2.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7912 2.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1424 1.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8778 1.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2719 -3.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0416 -2.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4283 -4.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8248 -6.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5243 -6.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8272 -3.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6503 -5.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8260 -3.7959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6022 -2.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3492 -0.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8772 1.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2471 0.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4124 3.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 5.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7379 6.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9062 4.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1857 7.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6993 8.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8803 7.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 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