IBS-ZINC05026785 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.1080 1.0470 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 1.7190 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 1.4960 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 1.1860 0.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 1.6440 -0.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 1.9850 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0560 2.1020 -1.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 2.2030 -2.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 2.0970 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 2.3030 -3.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8100 2.5710 -3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 4.0710 -3.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 4.7100 -4.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 1.9360 -2.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 1.6840 -2.2230 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8400 1.8160 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 2.6670 -3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 4.0700 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 4.9510 -3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 6.1210 -2.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 6.9060 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 6.0190 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 4.7280 -1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 4.3360 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 5.2090 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 6.4830 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 6.8930 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.2730 -2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -0.4470 -2.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -0.1820 -2.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -1.5500 -3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 0.0820 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 0.9260 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 1.7450 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 1.5010 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 2.2060 -4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8040 2.1250 -3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3990 4.6190 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 4.1620 -5.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 5.7850 -4.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 2.3540 -3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 2.4240 -3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 2.5980 -4.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 4.7640 -3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 3.3460 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 4.9050 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 7.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 7.8860 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -2.2280 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -1.6590 -4.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -1.7900 -3.1620 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 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 36 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 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 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 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END