NIH-ZINC04167199 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 67 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8200 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -2.5620 0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -2.3820 2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -3.7650 2.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -4.2830 3.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -3.4340 4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -2.0630 4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -1.5320 3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -4.1040 6.0920 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -3.1090 7.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -5.4210 6.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 -4.2680 5.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 -3.1750 5.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9760 -2.9070 4.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 -5.1570 3.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 -5.5120 5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4490 -3.9160 2.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 -5.1690 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0640 -6.1660 3.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1010 -5.1800 1.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7960 -6.3010 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 -7.3000 2.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6700 -6.3120 0.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4260 -7.5300 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7230 -7.1580 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5120 -8.4300 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6720 -9.3400 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 -9.7120 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5860 -8.4400 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -4.4280 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -5.3520 3.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -1.4070 5.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -0.4610 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6790 -2.2760 6.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -3.4640 6.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 -2.5190 3.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7640 -2.1760 4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 -6.0550 3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 -4.7420 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 -6.0220 5.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -6.1590 4.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1420 -3.1080 3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 -3.6370 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2300 -4.3820 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 -5.5140 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6620 -8.0520 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4870 -6.6360 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3220 -6.5100 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4370 -8.1650 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7480 -8.9520 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4360 -8.8180 -2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2340 -10.2460 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7760 -10.3600 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6110 -10.2340 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6620 -8.7050 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3500 -7.9170 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 -4.1600 4.1230 N 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 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 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 11 2 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 65 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 65 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 65 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 52 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 M END