PUBCHEM-ZINC00480664 MOE2007 3D CORINA 3.40 0006 02.08.2006 14 14 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7550 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.0770 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.4310 -0.7420 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7150 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.1470 -2.4930 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0500 1.0610 -2.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.8870 -3.4600 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0700 -3.3700 2.3600 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.3050 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END