NIH-ZINC00754117 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7120 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0970 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.6980 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9910 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6670 -1.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6550 -2.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -1.9520 -3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.7370 -3.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -2.5960 -4.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -1.7320 -6.1240 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -2.6850 -7.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -0.7670 -5.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -0.8870 -6.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -1.5670 -6.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 -0.8500 -6.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -1.5390 -6.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 -2.9270 -6.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -3.5740 -6.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 -2.8900 -6.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 -3.9210 -6.6750 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.9080 2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1960 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -3.6250 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -3.5660 -4.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 0.0830 -6.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 0.2290 -6.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 -1.0090 -6.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -4.6530 -6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -3.1180 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -3.8470 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -2.3470 3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 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 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 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 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M END