PUBCHEM-ZINC02173770 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.1780 1.5660 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 0.1770 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -0.5810 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.0920 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4870 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 2.2280 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 2.1820 -0.5820 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4610 1.5130 -1.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 3.4040 -0.3850 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0560 -2.0910 0.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0370 -2.4880 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -2.7880 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -4.2940 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -4.6860 0.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -2.4630 -1.4910 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 2.1300 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -0.3110 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -0.4810 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 3.3090 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -2.4010 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -2.6000 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -4.9650 1.8780 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 16 1 0 0 0 0 2 3 2 0 0 0 0 2 17 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 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 22 -1 M END