NIH-ZINC04437217 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 1 0 0 0 0 0999 V2000 -1.4150 2.3990 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 1.0740 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 0.4470 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.8260 0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.9270 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 0.1990 -1.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -2.0560 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -2.0110 -3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -3.1110 -4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -4.2640 -3.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -4.3280 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -3.2280 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -5.6180 -4.7380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 0.9410 1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -1.0070 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -1.3910 3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -0.6300 4.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 0.8820 4.7400 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7640 1.1960 4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 1.2490 3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 1.6210 6.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 1.9140 6.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 1.8910 6.6660 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4150 1.6250 6.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 2.0260 7.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 2.6090 8.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 2.5010 7.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 2.9630 8.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 3.5410 10.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 3.6480 10.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0350 3.1770 9.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 3.0590 -1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 2.3200 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 2.8650 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -1.1210 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -3.0580 -5.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -5.2260 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -3.2910 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 0.6060 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 2.0370 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -1.2830 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 -1.4940 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -1.1930 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -2.4690 3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -0.9130 5.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -0.9350 5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 2.3190 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 1.0000 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 2.2220 5.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 0.5700 5.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1640 2.7590 6.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0030 1.1500 7.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 2.8920 8.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 3.9100 10.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 4.0980 11.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 3.2540 9.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 0.4930 2.6340 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4570 0.7400 2.1050 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 2 0 0 0 0 2 6 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 5 6 1 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 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 57 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 57 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 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 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 57 58 1 0 0 0 0 M CHG 1 57 1 M END