NIH-ZINC00469963 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0080 1.4690 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 0.0720 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -0.6790 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -0.0230 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.3830 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 2.1190 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 3.8410 -0.0130 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 -0.8450 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -0.0350 0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.0490 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.7700 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -4.2730 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -4.8030 -1.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 2.0390 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -0.4020 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 1.9010 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -1.4780 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -1.4710 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -0.6480 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.5320 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5260 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -4.8120 1.0010 O 0 5 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 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 M CHG 1 22 -1 M END