MMs01675817 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 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 -0.7545 -1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -2.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 -1.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7455 -1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -2.6137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7545 1.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2545 1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0090 2.5668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5090 2.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2544 1.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7544 1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5089 2.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7635 3.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2635 3.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0089 2.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8864 1.3294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5116 0.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3146 1.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6110 1.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9126 1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9178 3.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6214 4.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3198 3.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8948 3.7564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2365 -3.9049 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 1.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9545 -1.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6126 -3.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 1.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9036 1.0257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -1.2019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1262 -0.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6283 1.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9669 2.4566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4126 3.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6508 0.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3508 0.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3671 4.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6671 4.8993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6068 -0.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9498 1.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9591 3.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6256 5.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 30 2 0 0 0 0 22 23 1 0 0 0 0 22 24 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 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 M END