IBS-ZINC04957055 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -1.4450 1.5830 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 0.2160 -0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -0.7190 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -0.3290 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -1.2820 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -2.6230 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 -3.0130 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -2.0650 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -4.4760 -0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3250 -4.6340 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -4.9570 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -5.9710 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -6.1320 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 -6.9270 -0.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -5.2670 -0.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -5.1370 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -6.0730 -3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -5.9390 -4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -5.0070 -5.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -4.8830 -6.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -5.6920 -7.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -6.6250 -6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -6.7510 -5.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 -6.6080 2.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -4.4950 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -3.6080 2.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -4.9700 3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -5.4680 4.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -5.9110 6.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -5.8620 6.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 -5.3710 5.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -4.9180 4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 2.2240 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 1.7270 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.8410 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 0.7180 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 -0.9790 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 -3.3660 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -2.3710 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 -5.4020 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -4.1070 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -5.8080 -2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -7.1020 -2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -4.3740 -4.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -4.1540 -7.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -5.5960 -8.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -7.2570 -7.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -7.4830 -4.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -3.3430 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -5.5070 4.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -6.2960 6.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -6.2110 7.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 -5.3370 5.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 -4.5300 3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 25 2 0 0 0 0 12 13 1 0 0 0 0 12 24 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END