PUBCHEM-ZINC06706790 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.1400 1.5890 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 0.0640 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -0.4440 -0.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -1.7730 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -2.4890 -0.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 -2.3730 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -3.8720 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 -4.4640 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 -5.8360 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -6.6230 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -6.0250 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -4.6520 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -8.0120 -0.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 -8.9870 -0.9340 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 -8.5560 -2.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -10.3200 -0.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -8.6290 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1390 -8.0860 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4160 -7.8060 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7600 -8.0680 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8280 -8.6110 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -8.8970 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 -9.6470 2.1310 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 1.9700 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 1.8720 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 2.0120 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -0.3590 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.2190 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -1.9780 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -2.1180 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -3.8510 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -6.2980 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -6.6340 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -4.1870 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -8.4060 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8710 -7.8800 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1450 -7.3820 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7570 -7.8490 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0960 -8.8160 2.4290 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 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 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 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 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 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 M END