MMs03079516 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 60 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 0.9277 -1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2107 -0.4017 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3698 -0.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 -2.7646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9241 -2.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2702 -2.6391 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5421 -4.0476 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3421 -4.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -5.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5966 -6.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 -5.3935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 -6.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9024 -6.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 -5.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 -5.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9018 -6.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1247 -8.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -8.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -4.0161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8188 -5.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0962 -6.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3185 -5.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0956 -6.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5952 -6.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3723 -7.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6497 -9.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1501 -9.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 -7.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6934 1.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5486 -1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 0.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 0.9430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -0.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6981 -4.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7332 -7.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4137 -7.8939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 -4.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8009 -4.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1015 -6.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7028 -9.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0034 -9.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6198 -2.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0854 -4.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4373 -4.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1733 -5.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5721 -7.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2714 -10.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5720 -10.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1732 -7.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7612 -0.2634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 -1.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3361 -2.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3462 -1.3818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1044 1.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2048 3.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 55 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 55 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 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 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 55 56 1 0 0 0 0 57 58 1 0 0 0 0 M END