NIH-ZINC04102008 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.5290 1.2200 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -0.1720 0.6520 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8910 -0.8780 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.3450 -0.8930 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3200 -1.4020 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 0.4670 -1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 0.0200 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 1.0430 -2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 2.2400 -2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 2.1270 -2.0730 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -0.5290 -2.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -0.2080 -3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 -0.8750 -2.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -0.4500 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -0.7610 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -0.5770 1.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -1.8900 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -2.7910 0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 -2.1840 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -3.5350 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6390 -3.9180 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 -2.9580 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 -1.6120 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -1.2080 1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 0.1000 1.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 1.0860 2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 1.5840 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 1.9530 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 1.1960 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -0.9960 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 0.9080 -3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 3.1770 -3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 0.0000 -3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -1.6070 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5590 -4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 0.8710 -3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 -0.9820 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 0.6210 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -1.8360 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -0.3700 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 0.1210 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -4.3020 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -4.9650 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5900 -3.2540 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 -0.9040 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 2.0550 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 1.1420 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 0.9030 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -0.0870 -1.3170 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0800 0.9310 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 49 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 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END