MMs03918988 MOE2007 2D CORINA 3.40 0006 02.08.2006 66 66 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 0.0028 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2948 -2.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3033 -2.2476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 -1.4951 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6009 -2.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 1.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9013 -2.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9041 -3.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 -1.4903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4994 -2.2378 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4994 -1.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5022 -3.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8026 -4.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8055 -5.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7970 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0975 -2.2330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3951 -1.4805 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3559 -0.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6899 0.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6871 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9847 3.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6955 -2.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6983 -3.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9932 -1.4757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1472 0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6138 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3662 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3646 -2.0832 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.5237 -2.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6792 -3.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1067 -4.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3055 -3.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 -0.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1855 1.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1967 -0.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -3.5317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0939 -4.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0986 -2.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2109 -0.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9798 1.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8962 0.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2806 0.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5057 2.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2746 3.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3973 1.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1661 3.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5472 0.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0833 0.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2408 1.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7091 0.8212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3357 -0.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1709 -1.8569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1003 -3.7330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.9819 4.5243 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.1819 4.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9797 5.7243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7819 4.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5664 -4.5556 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 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 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 61 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 62 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 35 66 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 62 65 1 0 0 0 0 M CHG 1 61 -1 M CHG 1 62 1 M CHG 1 66 -1 M END