PUBCHEM-ZINC06185729 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 -0.2840 1.4300 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.0330 -0.2100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2080 -0.5210 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -0.0100 -0.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 1.1270 -0.4880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.9120 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 3.5380 0.8030 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -0.7800 -0.9950 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0630 -0.6050 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -2.2800 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -2.8370 -1.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -0.4070 -2.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 0.5960 -2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 1.2730 -2.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 0.8590 -4.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 1.5720 -5.1350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 2.0110 -4.6300 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.6460 -5.3370 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 1.9400 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 1.6060 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -1.0090 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -2.7590 0.3270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M CHG 1 22 -1 M END