NIH-ZINC04057565 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 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 -1.2540 -2.0240 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -2.6680 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5410 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1020 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -2.5820 0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 -2.1720 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 -3.1430 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2920 -2.9640 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5180 -1.8910 1.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5650 -1.0070 1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 -1.1310 1.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5730 -4.1350 0.6380 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.9240 -3.3750 1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1600 -4.2290 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1310 -5.2500 0.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2980 -3.8570 2.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.5160 -4.6750 1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0530 -4.9300 3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2240 -3.6470 4.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9380 -2.9580 4.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3540 -2.6250 2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8640 -3.8250 5.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1220 -2.7300 6.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7560 -2.9090 7.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1340 -4.1760 7.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8790 -5.2680 6.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2500 -5.0960 5.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 -4.0800 -0.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 -3.7810 -0.6200 N 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 -0.3400 -2.6000 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -3.7470 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 0.0350 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 1.1810 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7920 -0.1500 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6390 -3.2940 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1280 -2.3820 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2650 -4.1430 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2790 -5.6250 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0140 -5.4410 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3470 -5.5510 3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0910 -2.0380 4.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2470 -3.6060 4.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3490 -2.2210 2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9890 -1.8920 2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8270 -1.7400 5.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9560 -2.0580 7.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6290 -4.3130 8.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1750 -6.2570 7.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0550 -5.9480 5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 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 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 2 0 0 0 0 M END