PUBCHEM-ZINC00425056 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0280 1.3990 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 0.0020 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -0.6610 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 0.0600 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 1.4580 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 2.1190 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 4.0090 0.0680 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -0.6720 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 -0.0230 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 -2.0780 -0.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -2.7930 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -4.4620 -0.1990 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -2.0520 -0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -2.5750 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 -2.7680 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 -3.0390 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 -3.8170 1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 -4.1850 2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 -3.6930 3.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 1.9110 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 2.0180 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8740 -3.7030 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 -2.1520 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 -2.0880 1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -3.5980 1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 -4.7490 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 -3.2320 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1630 -4.9520 2.8410 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 22 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 15 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 M CHG 1 29 -1 M END