MMs03707059 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 57 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 1.2997 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3012 -2.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 -2.9976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6023 -4.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -5.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -5.2463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8628 -5.8463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 -4.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5001 -5.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 -6.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7985 -4.4927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0982 -5.2414 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1374 -5.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0996 -6.7414 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0996 -7.9414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3994 -7.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8013 -7.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8027 -8.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3965 -4.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6963 -5.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3951 -2.9902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1808 -2.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6430 -0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1430 -0.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6078 -2.1074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4563 -1.2589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0348 -2.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3481 -4.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9035 -6.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 1.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 0.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -1.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7091 0.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4817 -0.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1192 -2.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8918 -3.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6396 -2.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4282 -3.5766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9709 -3.5751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7973 -3.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8003 -8.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4392 -8.0892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9984 -6.4504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3898 -6.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6197 -7.7021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6027 -8.9938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8038 -10.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0027 -8.9915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5817 -3.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 -1.6226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4689 -0.4343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7673 0.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0164 0.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3165 -0.4306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8648 -7.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1486 -1.5648 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 30 56 1 0 0 0 0 M CHG 1 57 -1 M END