NIH-ZINC04039246 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 66 0 0 1 0 0 0 0 0999 V2000 -5.0080 -3.9770 4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -4.3230 3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -4.2120 3.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -4.4960 2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -4.8200 1.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -4.3450 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -4.5510 3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -4.2050 4.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -3.8310 5.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -3.9310 4.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -3.7230 5.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -3.3320 6.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -4.2440 4.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 -4.4200 5.5140 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0700 -5.8470 6.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4180 -5.8240 7.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -6.0930 6.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3430 -5.1870 6.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 -5.1540 6.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 -4.1700 5.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 -3.2470 4.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 -7.1830 7.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4050 -8.3680 6.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9670 -9.3740 7.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7650 -10.3330 6.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7170 -11.7420 8.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -6.9550 5.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -7.6300 5.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -8.6420 4.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -8.9580 3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -8.3400 3.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -7.3500 4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.1950 3.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -5.0320 1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -2.9620 4.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0220 -4.0480 3.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 -4.6520 5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -5.3490 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 -3.6260 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -2.4690 6.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -3.0110 7.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 -4.1180 7.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 -6.7810 8.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 -7.4890 8.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 -8.8570 6.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -8.0000 6.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7790 -8.9520 8.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1690 -9.7200 8.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -9.9330 6.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 -9.6260 5.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0940 -11.2770 5.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7600 -11.9580 8.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 -11.4460 8.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0460 -12.6140 7.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -7.3680 6.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -9.1670 4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -9.7380 2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -6.8720 3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 -3.6870 6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -4.1840 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -5.7180 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -5.5830 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5090 -10.6000 7.0940 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7930 -10.9110 6.4240 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 38 1 0 0 0 0 2 39 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 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 33 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 59 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 63 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 63 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 32 58 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 63 1 M END