NIH-ZINC00528769 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.1000 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9270 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -2.6670 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -2.0260 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -2.7480 -0.0230 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 0.3920 0.0520 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 -0.4550 0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 1.6610 0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 0.6630 -1.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8690 -0.4060 -2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 -0.1720 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5760 -1.2430 -4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 -2.5190 -3.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 -2.6780 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8520 -1.6370 -1.8550 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9780 -3.8980 -4.8810 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1800 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 -2.4300 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -3.7460 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 1.5660 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2370 0.8330 -4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8600 -1.0920 -5.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 -3.6680 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 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 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 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 30 1 0 0 0 0 M END