MMs01938087 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 41 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 -1.5000 0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2394 1.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 2.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0211 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7605 1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 1.2807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2394 -1.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2393 -1.3416 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7392 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6307 -0.1475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2310 -3.7127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0535 -0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0413 -2.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 -2.5744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3342 -2.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6393 -2.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6515 -0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3586 0.1169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9322 -2.9041 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2183 3.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7182 3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4788 2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7393 1.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -1.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1084 -1.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6295 3.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8689 2.3151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3011 1.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6308 0.3647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3245 -4.0830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6956 -0.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5003 5.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8425 4.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3917 3.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4042 1.8707 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 M END