NIH-ZINC01052742 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 -0.9810 0.0360 -2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 0.9760 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 0.1910 -1.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -0.1500 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 0.0560 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -0.4680 -3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 -1.1950 -2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -1.4270 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 -0.8910 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -1.0280 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -1.7470 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -2.2890 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 -2.1490 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 -0.3020 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.1680 0.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4340 -1.8280 -2.8730 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7920 -1.3720 -4.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2100 -1.5590 -1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 -3.4760 -2.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 -4.0840 -4.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7950 -3.3940 -4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -5.3840 -3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 -5.0710 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 -5.0920 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -4.7530 -0.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -4.6980 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -4.4990 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -4.6820 -2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -4.4850 -3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -4.1120 -3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -3.9280 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -4.1230 -1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -4.3820 -5.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6890 -4.1140 -5.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -0.5250 -3.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -0.6560 -2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 0.6200 -3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 1.6690 -2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 1.5380 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.6230 -4.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 -0.2910 -4.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -1.8860 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -2.8460 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 -2.5880 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 -4.0380 -2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -5.8810 -4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -6.0380 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -5.3400 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -4.6270 -4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -3.9600 -4.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -3.6330 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -3.9750 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 -4.9450 -6.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7060 -5.1180 -7.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 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 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 53 54 1 0 0 0 0 M END