NIH-ZINC04093522 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 0 0 0 0 0 0999 V2000 -0.0110 1.5160 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.0140 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -0.4870 1.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -1.8340 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -2.6820 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -4.0520 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -4.5800 1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -3.7400 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -2.3650 2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -1.5120 3.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -1.0500 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 0.2360 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 0.7180 2.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 0.8490 2.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 2.0990 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9820 2.2600 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5650 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 4.7440 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 4.5840 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 3.2780 2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -1.1160 4.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -0.3780 5.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -1.5920 4.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -1.0020 5.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -1.4840 6.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -0.9030 7.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 -0.1740 7.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -1.1920 7.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -0.7420 8.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 -1.1320 9.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 -0.6780 10.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5270 0.1540 11.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 0.5020 10.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 0.0490 9.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 1.8930 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.8770 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 1.8690 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -0.3900 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -0.3660 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -2.2740 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -4.7120 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -5.6500 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -4.1550 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -0.8790 4.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 -1.8060 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4340 0.4640 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 2.0740 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7660 2.2850 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 1.4200 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 3.6790 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2160 3.5400 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 4.7690 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 5.6740 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 5.4240 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 4.5580 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 3.1640 2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 3.3030 3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -1.2680 3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -2.6800 4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -1.3250 6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 0.0870 5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -1.1610 5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -2.5720 6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -1.7140 7.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4180 -1.7810 8.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 -0.9640 10.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8860 0.5270 12.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 1.1500 11.3500 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 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 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 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 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 58 1 0 0 0 0 23 59 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 64 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 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 32 33 2 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 M END