NIH-ZINC04083351 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 64 0 0 1 0 0 0 0 0999 V2000 1.8200 -0.1580 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -1.4650 -1.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -1.9030 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -3.3060 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -3.2540 0.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -4.3800 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -5.4360 0.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -4.3260 2.7210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1340 -3.6570 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -3.8150 2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -4.5300 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 -4.0640 2.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -2.8820 3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 -2.1630 3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -2.6300 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -1.0000 4.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 -0.5780 4.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -5.6690 3.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -6.3130 3.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -7.4210 3.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -8.0240 3.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 -7.5110 4.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 -6.4600 5.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -5.8530 5.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -6.2850 3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -5.6960 2.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -7.7060 3.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -8.1760 3.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -8.8060 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -9.1900 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -9.8170 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -10.0740 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 -9.7080 1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -9.0630 2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -8.5940 4.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -8.0770 4.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 0.1000 -1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1440 -3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 0.5660 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -1.2150 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -1.9250 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -3.6750 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -3.9740 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -2.4090 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -5.4540 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 -4.6240 2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -2.5180 3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -2.0700 4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 -0.4350 3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 0.3620 5.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 -1.3380 5.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -7.8010 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -8.8850 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -7.9770 5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -4.9920 5.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -8.3420 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -7.7500 4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -8.9940 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -10.1150 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -10.5700 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 -9.9130 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 3 4 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 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 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 45 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 22 23 2 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 36 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 32 33 2 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 M END