IBS-ZINC02227225 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 0.0170 1.6560 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 0.1280 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -0.4520 1.2130 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7280 -0.0330 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -1.9500 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -2.6520 1.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -2.5620 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -3.9520 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -4.5180 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -3.7140 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -2.3370 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -1.7560 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.1140 2.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -0.4190 2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 0.0960 3.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 0.6750 4.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 0.5540 3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 1.0330 3.6460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 0.3710 4.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 0.8200 4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 2.3400 4.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 3.0040 3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.4920 3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -0.0670 4.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 -0.7140 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 -0.8480 4.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -1.2160 2.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -1.0880 2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -1.5480 0.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -1.9130 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 0.4660 5.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.0060 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 2.0700 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 1.9820 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -0.2210 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -0.1980 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -4.5810 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -5.5910 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 -4.1630 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 -1.7170 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -0.6820 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 0.6390 5.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -0.7100 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 0.3400 5.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 0.5390 3.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 2.6180 5.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 2.6690 4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 4.0850 3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 2.7580 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.9520 2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 2.7510 4.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 -1.9220 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8450 -1.3980 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 -2.9380 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 1.4880 5.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -0.1540 6.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 0.4610 6.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 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 12 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 M END