CHEMBRIDGE-ZINC04311982 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 0.0060 1.3240 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.0570 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -0.7800 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.2180 0.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.1230 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 1.9230 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 3.7850 -0.1450 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -0.7190 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -0.1640 1.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -1.9190 -0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -2.8700 -0.1010 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4120 -2.3680 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -4.0900 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -3.7150 2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -3.7540 2.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -3.4330 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -3.5090 -2.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 1.9120 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -1.8510 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 1.5400 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -2.2300 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -4.8420 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -4.5780 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -3.4590 2.3010 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.2410 -3.7380 -1.5850 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 18 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 25 -1 M END