NIH-ZINC04001760 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.1640 1.3770 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -0.0220 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -0.6610 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1340 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.5240 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 2.1520 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 3.5830 -0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 4.4490 1.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 5.8390 0.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 4.0840 0.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 3.8310 2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 4.2320 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 3.7820 4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.9470 5.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 2.5520 4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 2.9970 3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 1.5270 5.5600 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 2.4540 6.5770 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -0.4640 -0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -2.1570 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -2.5510 -0.3720 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1450 1.8420 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -0.6150 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 2.0950 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 4.0710 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 4.8900 2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 4.0900 4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 2.6940 3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -1.4630 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -2.8770 -0.2990 O 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 28 1 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 2 0 0 0 0 M CHG 1 21 -1 M END