PUBCHEM-ZINC06627420 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.4460 -0.3370 3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -1.4940 2.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -1.4440 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -0.5560 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -0.6030 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -1.5770 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -2.4790 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -2.4010 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -3.2930 0.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 -1.7350 -2.2230 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 0.3100 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 1.6430 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 2.5490 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 2.1590 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8860 3.8740 0.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2410 4.1060 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 5.5620 0.4120 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0930 2.5690 0.2920 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 4.9480 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 5.5740 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 5.0510 -2.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -0.4440 3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 0.5750 2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -0.2680 3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 0.1810 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -3.2380 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -3.0840 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 -0.2070 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 5.7410 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 4.5520 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 6.5580 -1.4480 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 27 1 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 18 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 M CHG 1 31 -1 M END