PUBCHEM-ZINC02032053 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 1.0150 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 3.0270 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 3.4740 2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 3.6820 3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 4.0940 4.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 4.3000 4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 4.0930 3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 3.6820 2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 3.5690 1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 3.8850 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 4.2130 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4370 4.6220 3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0800 5.8040 2.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2430 6.1790 3.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7700 5.3850 4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1360 4.2110 4.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9760 3.8220 4.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 3.8610 -0.0130 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 3.4810 3.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 1.3320 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -0.0740 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.3810 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 3.4080 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 3.4130 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 4.2520 5.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 4.6190 5.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6690 6.4250 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7420 7.0950 3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6800 5.6830 5.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5520 3.5950 5.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4850 2.9030 4.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 4.2670 3.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 37 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 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 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 20 36 1 0 0 0 0 M END