MMs03918861 MOE2007 2D CORINA 3.40 0006 02.08.2006 86 88 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 0.7594 -1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7782 -3.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 -5.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 -3.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 -2.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2593 -1.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2593 -1.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 -2.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7592 -1.2502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7404 1.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.0651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3998 -0.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7404 1.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9810 2.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7216 3.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7591 -1.2285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2591 -1.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9997 0.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0185 -2.5113 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8185 -2.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2779 -3.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5184 -2.5004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2778 -3.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5372 -5.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7778 -3.7832 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.1778 -4.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5183 -2.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0183 -2.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7590 -1.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5371 -5.0767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0371 -5.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7777 -3.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7965 -6.3595 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.3965 -7.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0559 -7.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8152 -8.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0747 -10.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8340 -11.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3340 -11.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0746 -10.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3152 -8.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0934 -12.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5009 -13.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2964 -6.3486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0370 -5.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5370 -5.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2776 -3.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 0.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6075 1.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -0.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1812 -2.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 1.0566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0924 1.0761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1262 -3.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -2.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6652 0.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6540 2.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -2.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2343 -3.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6854 -4.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3214 -4.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1109 -1.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1183 -1.4395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0270 -3.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2183 -2.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0096 -1.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7938 -0.5777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1515 -0.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7241 -1.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9447 -6.1203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1311 -6.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1422 -8.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8747 -10.2706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2416 -12.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2745 -10.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9077 -7.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9039 -7.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3125 -3.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6701 -2.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2428 -4.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4810 2.6522 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 1 55 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 56 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 57 1 0 0 0 0 10 11 2 0 0 0 0 10 58 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 59 1 0 0 0 0 13 14 1 0 0 0 0 13 60 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 20 2 0 0 0 0 19 86 1 0 0 0 0 21 22 1 0 0 0 0 21 63 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 67 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 36 1 0 0 0 0 35 75 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 49 1 0 0 0 0 40 41 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 42 1 0 0 0 0 41 46 2 0 0 0 0 42 43 2 0 0 0 0 42 78 1 0 0 0 0 43 44 1 0 0 0 0 43 79 1 0 0 0 0 44 45 2 0 0 0 0 44 47 1 0 0 0 0 45 46 1 0 0 0 0 45 80 1 0 0 0 0 46 81 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 49 82 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 83 1 0 0 0 0 52 84 1 0 0 0 0 52 85 1 0 0 0 0 M CHG 1 86 -1 M END