PUBCHEM-ZINC05822748 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 0.0480 1.6950 2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.4200 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.7810 2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -2.0720 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -2.1150 0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -3.1520 2.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -4.5300 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -5.2020 0.2910 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -5.1760 2.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -6.5000 2.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -7.6070 2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -8.8750 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -9.0430 3.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -7.9550 4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -6.6740 4.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 -5.4940 5.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -4.3620 4.7430 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6470 -10.7610 4.2550 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 1.9200 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 2.5420 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 1.6080 3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 0.2420 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 0.5520 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -0.6080 2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.9200 3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -2.9130 2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -4.5580 3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -7.5350 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 -9.7220 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 -8.0850 5.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -5.7080 6.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 2 0 0 0 0 M CHG 1 17 -1 M END