PUBCHEM-ZINC05663074 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 1 0 0 0 0 0999 V2000 -0.0440 1.4630 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 0.0530 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 -0.3110 0.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -0.7380 -0.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -2.1560 -1.2180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3900 -2.6450 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -2.3350 -2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -2.0730 -2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -0.9770 -2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -1.4330 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -2.7110 -2.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -3.1170 -2.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 -0.3770 -2.5320 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -2.8520 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -2.0460 -1.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 1.4790 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 2.0410 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.9180 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -0.3890 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -1.6680 -3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -3.3550 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 0.0000 -3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -4.1110 -1.3870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 M CHG 1 23 -1 M END