PUBCHEM-ZINC05932347 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.2460 -0.2120 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 0.8680 -1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 0.8780 -1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -0.1860 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -1.2710 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.2820 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 -0.2260 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 0.6880 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 1.9230 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 1.9560 0.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 2.9710 -0.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4420 4.3120 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 4.9670 1.2490 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 6.2300 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6460 7.3170 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3010 8.5520 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4080 8.7060 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8730 7.6360 -1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2270 6.3890 -1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7450 5.2290 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 4.1280 -2.0660 O 0 5 0 0 0 0 0 0 0 0 0 0 9.2850 10.3780 -0.7450 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -0.2170 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 1.7030 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 1.7260 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -2.1120 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.1240 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -1.1140 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 0.5130 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0940 2.7500 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 7.2540 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 9.3840 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7390 7.7550 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7580 5.4270 -2.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 4.9400 -0.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 4.3330 -1.1580 H 0 0 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 34 2 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 21 -1 M END