MMs01087603 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 58 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 1.5000 -0.0049 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9000 1.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2457 -1.3064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8457 -2.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7457 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4915 -2.6128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9915 -2.6177 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3915 -3.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7457 -1.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 -1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9915 -2.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4914 -2.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2457 -1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7372 -3.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2372 -3.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 -5.2157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -6.5172 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5287 -6.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9745 -7.8138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3745 -8.8530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4745 -7.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7202 -9.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2287 -6.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 -5.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4915 -2.6030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7542 -1.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7627 -3.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 1.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8881 -3.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 -0.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9580 -0.1400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6898 -3.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0880 -3.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4457 -1.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1033 1.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4034 1.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 -5.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 -6.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2745 -7.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4706 -9.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1168 -10.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 -3.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -4.3088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -5.0757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8593 -2.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6576 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9745 -7.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2627 -3.8897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8661 -4.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1745 -7.8275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 29 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 44 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 45 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 25 1 0 0 0 0 23 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 56 1 0 0 0 0 33 54 1 0 0 0 0 53 56 1 0 0 0 0 55 58 1 0 0 0 0 56 57 1 0 0 0 0 M END