NIH-ZINC02972764 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2060 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0310 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4210 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -0.8270 -0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 0.5180 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 -0.0710 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5510 1.0150 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1370 0.6980 0.2930 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8300 1.9330 0.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1340 -0.0790 1.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7580 -0.3480 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3350 0.2060 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8220 -0.6130 -3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7330 -1.9880 -2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1560 -2.5420 -1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 -1.7210 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2100 -2.7900 -3.9610 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7600 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.9770 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 1.1370 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 1.1280 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7130 -0.6900 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 -0.6810 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 1.9200 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4040 1.2800 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2730 -0.1800 -3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0860 -3.6150 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 -2.1530 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 M END