PUBCHEM-ZINC06185715 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 -0.2300 1.4650 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -0.0250 0.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5130 -0.5280 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -0.3890 0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 0.5330 -0.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 1.5520 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 3.0190 -1.4160 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.4900 1.1990 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2430 -0.0370 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -0.0900 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -1.0840 3.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -1.9530 1.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -2.6270 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -2.0230 -0.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -4.1490 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -4.4540 1.6330 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 -4.9240 -1.1700 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -4.8290 0.7900 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 1.7780 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 2.0970 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.4280 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 1.1430 2.8870 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