MMs00898487 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 63 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 -0.0022 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 2.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 -0.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8937 2.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 1.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4963 -0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 1.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 2.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0944 -0.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0966 -2.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3901 1.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6880 2.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9881 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6925 -0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2905 -0.7286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2928 -2.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5076 -3.1085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0462 -4.5358 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.2462 -4.5358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5119 -5.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2997 -6.8452 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5459 -8.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1020 -8.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0848 -5.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5462 -4.5380 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3462 -4.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0806 -3.1121 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2860 2.2714 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 -0.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0424 2.0984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2939 3.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6382 -0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -1.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 3.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6637 3.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 2.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0141 0.2144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 -1.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7263 -1.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 -1.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9741 1.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2007 2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 3.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2618 3.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3499 2.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6862 3.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6942 -1.9325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3289 -0.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6074 -5.4719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1134 -7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4864 -7.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9878 -5.4788 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 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 40 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 8 13 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 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 21 2 0 0 0 0 17 18 2 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 M END