PUBCHEM-ZINC00991348 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 0.5480 1.4000 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -0.0930 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -0.7480 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -2.1310 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.8420 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -2.1750 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -0.8030 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -0.0800 -2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -3.0710 -2.6520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -2.6320 -3.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -4.4320 -2.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -2.5720 -3.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 -2.7880 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 -1.7630 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1150 -1.9800 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -3.2180 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 -4.2410 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -4.0320 -1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8510 -3.5110 0.2560 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -2.8400 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -4.0430 2.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 1.6230 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 1.8090 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 1.8490 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -0.1920 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -3.9130 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 0.0450 -2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -0.6600 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 0.8990 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -2.1290 -4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 -0.7970 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 -1.1840 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 -5.2060 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -4.8320 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -2.1500 3.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -2.6570 4.4300 H 0 0 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 35 36 1 0 0 0 0 M END