PUBCHEM-ZINC05926524 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 0.5340 1.5040 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 0.1520 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -0.7510 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -1.9590 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -2.3590 0.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -3.2590 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -1.5920 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -2.0350 0.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -0.2270 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 0.5430 -0.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 1.0380 0.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 1.7560 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 1.0670 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1350 1.7180 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2730 3.0720 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 3.7710 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 3.1260 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 3.9340 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 3.6920 0.8590 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.8740 3.9670 -0.9380 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -2.8610 0.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -0.3780 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -0.0840 -0.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 1.3920 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 2.1050 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 2.0840 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 0.0010 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9370 1.1590 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 4.8300 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -3.6930 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 4.8300 1.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 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 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 2 0 0 0 0 21 30 1 0 0 0 0 22 23 3 0 0 0 0 M CHG 1 19 -1 M END