IFLAB-ZINC00956721 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.3360 1.1660 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 0.4220 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -0.2240 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -0.1250 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 0.6270 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 1.2680 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -0.8140 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -0.0980 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -0.8500 0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4550 -0.4030 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 -2.3000 -0.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 -2.8710 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 -4.5560 -0.6370 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -2.1700 -0.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 -0.6390 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -1.3530 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 -1.1620 3.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 -0.2570 3.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3760 0.4600 2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6800 0.2630 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4010 1.3520 2.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 1.2920 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 1.7230 1.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 2.1450 -0.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 3.5080 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 4.0470 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 5.4020 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 6.1760 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 5.5740 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 4.2800 -1.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 1.6730 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 0.3460 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -0.8050 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 0.7070 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 1.8500 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6040 -2.8320 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -2.6430 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -2.0610 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7130 -1.7210 4.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5700 -0.1070 4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9530 0.8170 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2640 0.9710 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 1.8080 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 3.4160 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 5.8490 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 7.2370 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 6.1720 -1.8800 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 22 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 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 M END