PUBCHEM-ZINC06512329 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.0970 1.4730 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 0.0750 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -0.6330 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 0.0960 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 1.4940 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 2.1980 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 3.6960 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 4.3520 1.5180 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -2.1450 -0.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0910 -2.5120 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -2.8170 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -3.7100 -1.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 1.9900 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -0.4650 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -0.4220 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 2.0280 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 4.1140 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 4.0960 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -2.4330 -2.4730 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9870 -2.6600 1.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 -2.1330 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -3.5810 0.6390 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 13 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 19 -1 M END