MMs02566953 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 1.2941 -0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 2.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 3.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6275 4.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9216 3.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 2.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0545 1.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4674 1.7565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1102 3.1117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8853 4.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2262 5.2670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2799 4.1994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5902 2.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2624 1.5264 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7598 1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4320 0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6068 -1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2790 -2.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7764 -2.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6016 -1.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9294 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4486 -3.9257 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 4.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0431 -0.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2862 -1.9585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -0.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0254 2.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2883 4.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6354 5.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8384 0.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3525 4.8707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6213 2.6301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9096 1.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4089 -1.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6188 -3.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7995 -1.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5895 1.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 4.8183 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 27 42 1 0 0 0 0 M END