MMs01358858 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 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 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2466 -1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4932 -2.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 -1.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2534 -1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0068 -2.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 1.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7466 1.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4931 2.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9931 2.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7397 3.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9863 5.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4863 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7397 3.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7329 6.5208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7466 -1.3089 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7505 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7426 -2.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2466 -1.3129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9006 0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3642 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5340 -0.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5301 -2.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3547 -3.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8935 -2.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 1.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 1.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0904 -3.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6096 -3.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 -1.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6287 -0.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1179 1.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4518 2.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5959 1.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9397 3.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8836 6.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5397 3.9117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7314 0.3073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9045 1.2370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8473 1.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3049 1.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0579 0.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7032 -0.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7007 -1.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0476 -3.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2906 -3.7560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8306 -4.0844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7228 -2.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8896 -3.8662 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 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 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END