PUBCHEM-ZINC05647219 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 0.0980 1.5200 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 0.0140 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.6920 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -2.0710 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.7550 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.0380 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.6580 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -4.2350 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -5.0110 1.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -6.3400 0.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -7.1320 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -6.3170 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -7.6820 -1.7780 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -5.0260 -1.1350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -4.5660 -2.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -4.7800 -3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -4.4100 -4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -4.6890 -5.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -4.3400 -6.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -3.7140 -7.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -3.4350 -6.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -3.7730 -5.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -3.3830 -4.2130 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.8820 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 1.8970 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 1.8730 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -0.1610 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -2.6210 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -2.5620 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.1020 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -5.2280 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -5.1770 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -4.5550 -7.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -3.4430 -8.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.9470 -6.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 M END