NIH-ZINC01055079 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 0.0990 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 -0.5540 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -1.9560 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -2.6850 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -2.0320 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.7520 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -4.1760 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 -2.5950 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -4.0240 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 0.2280 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -0.3420 0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8040 1.5750 0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 2.3180 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1480 1.8520 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3130 2.5880 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3230 3.7890 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1670 4.2560 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 3.5270 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8110 4.7250 -0.3240 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.6830 5.5440 -1.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8780 3.8050 -0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8460 5.7500 0.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8960 6.7500 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0990 7.7360 1.9550 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2120 8.7070 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0590 8.6830 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8780 7.6360 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8020 6.6940 0.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 1.8020 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.7870 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.7760 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 1.1780 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -3.7640 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -4.5020 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -4.4830 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -4.6270 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 -4.3710 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -4.3830 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 -4.4070 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 2.0290 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1420 0.9140 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2180 2.2260 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 5.1930 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 3.8940 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5320 5.6500 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 9.5090 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 9.4630 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 7.5880 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 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 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 M END