NIH-ZINC00456947 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 -0.1980 1.3030 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -0.1580 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -0.9510 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.9140 -1.4890 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -2.2380 -1.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -0.0180 -2.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -1.0460 -1.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -1.7560 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -2.8980 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -3.6020 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -3.1780 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 -2.0490 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -1.3280 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -0.1220 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 0.5050 -2.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 0.2850 -1.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 1.7240 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 1.6790 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 1.5920 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -0.2850 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -1.6300 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -1.5270 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -0.6260 -2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -3.2340 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -4.4890 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 -3.7360 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 -1.7230 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 -0.2150 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 1.0780 -1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 M END