PUBCHEM-ZINC05117231 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 0.0900 1.3650 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -0.0260 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -0.6940 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 0.0400 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 1.4320 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 2.1190 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 3.5850 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 4.4220 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 5.8140 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 6.3850 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 5.5800 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 4.1890 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 8.2650 -0.4440 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -2.1710 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -2.7000 1.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -2.9410 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -4.3500 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -4.7030 -0.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -5.3960 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -4.9280 -0.2230 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8680 1.8550 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -0.5810 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -0.4350 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 1.9770 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 3.9930 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 6.4350 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 6.0180 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 3.5760 -1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -2.4440 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -2.9480 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -6.6150 -0.5210 O 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 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 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 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 27 1 0 0 0 0 12 28 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 31 2 0 0 0 0 M CHG 1 20 -1 M END