CHEMDIV-ZINC00045279 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 -2.2800 0.5300 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 0.0800 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -1.0050 0.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -2.2560 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -2.5100 -1.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -3.2580 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -4.6720 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -5.3490 0.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 -5.0560 0.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -6.2830 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -7.3550 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -8.5400 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 -8.6560 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 -7.5970 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -6.3970 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7540 -5.2470 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 -4.1920 0.1300 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0580 -10.2650 -2.1750 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 1.3940 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -0.2750 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 0.8000 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -0.1940 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 0.9000 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -3.2160 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -2.9890 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -4.3830 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -7.2920 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -9.3620 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3320 -7.6900 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9760 -5.4120 -0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 30 2 0 0 0 0 M CHG 1 17 -1 M END