NIH-ZINC04301964 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 68 0 0 1 0 0 0 0 0999 V2000 2.2990 1.7140 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 0.2260 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -0.5250 1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 0.0450 0.4120 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0520 0.4420 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.7850 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 0.1840 -1.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -1.3800 0.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -1.7700 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.1480 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -1.6600 2.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -3.6140 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -4.2490 2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -5.7310 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -6.3710 1.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -5.7860 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -4.3030 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -7.4730 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -7.9140 3.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -8.1580 1.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5350 -7.4280 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -8.7930 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -9.3680 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -10.1210 -2.4760 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -10.7350 -3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 -9.1990 1.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -9.6040 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -9.5940 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 -9.0880 0.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 -10.5510 2.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 -10.9270 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -9.7040 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3180 -12.0180 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 -11.4530 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 1.8430 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 2.2490 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 2.1110 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -0.1700 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -0.1280 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -1.5850 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -0.3960 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -3.7300 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -4.1560 3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -3.7420 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -6.2110 3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -5.8240 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -6.3020 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -5.8840 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -3.8350 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -4.2100 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -9.5930 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -8.0370 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -8.5690 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 -10.1250 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -11.2160 -4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -9.9020 -3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -11.4580 -2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 -9.3290 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 -9.9860 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 -8.9260 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 -12.8890 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 -12.3000 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4060 -11.6430 3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -10.6760 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 -11.7360 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 -12.3240 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 2.1120 -0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 2.5420 -1.7230 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 4 1 0 0 0 0 2 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 67 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 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 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 67 68 1 0 0 0 0 M END