MMs00178574 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 0.7487 1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0026 2.5981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6026 3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5026 2.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 3.8948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2513 1.2967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7513 1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5026 2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0026 2.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7513 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2513 1.2906 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 3.8979 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1289 2.6868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5551 3.1517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5535 4.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1265 5.1138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6615 6.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7662 5.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 4.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 5.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1914 7.3005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8205 7.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6079 7.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 0.5989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5989 -1.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 -0.5989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 0.5294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6671 2.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6503 0.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9037 3.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6037 3.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5989 -1.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8989 -1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 6.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2895 7.6808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 6.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2637 3.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4465 5.3219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 9.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5111 7.5133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END