PUBCHEM-ZINC06524459 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 1 0 0 0 0 0999 V2000 0.0330 1.3280 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.0620 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.7230 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -0.0980 -0.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 1.2470 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 1.9910 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 3.8650 0.2380 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.7560 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -0.1850 1.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -2.0200 -0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -2.4630 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -2.8290 0.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4640 -2.2450 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -4.1840 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -4.1110 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -4.6720 -2.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -3.0920 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -3.4010 2.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -2.9940 2.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 1.8820 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -1.8020 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.7130 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -4.9050 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 -4.6050 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 -3.2460 3.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -3.4910 -1.8480 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 8 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 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 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 25 1 0 0 0 0 M CHG 1 26 -1 M END