IBS-ZINC05024697 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5470 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -1.9280 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -2.6710 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0300 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -2.7800 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -3.1560 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -4.2680 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -3.8540 1.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -3.1430 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -2.6890 2.6150 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -3.6560 -2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -3.5420 -2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -4.6290 -1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2390 -4.4790 -1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -3.2590 -2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 -2.2460 -2.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 -2.3550 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1780 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0300 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -2.4280 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -3.7500 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -4.1070 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -2.3870 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -4.3120 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -5.2520 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -4.0970 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 -2.9850 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -4.6820 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -5.5700 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 -5.3040 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8800 -3.1330 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -1.5050 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -3.2880 -1.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 M END