PUBCHEM-ZINC02584155 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 0.2330 0.9090 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 0.1010 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -0.9760 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -0.5750 -1.4870 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -2.0600 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 -2.0320 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -3.1220 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 -4.2460 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 -4.2900 -1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -3.2020 -2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -3.3280 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -3.1950 -2.9210 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.4110 -5.7200 -0.4070 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 1.6630 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 0.8400 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 0.2030 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -1.9340 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -1.0670 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 -1.1510 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -3.0750 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 -5.1670 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -3.6120 -4.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 22 2 0 0 0 0 M CHG 1 12 -1 M END