PUBCHEM-ZINC03756645 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 0.0220 1.3650 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.0290 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -0.6680 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 0.1540 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 1.5480 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 2.1570 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 2.5280 -1.1390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.1440 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -2.8480 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -4.2520 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -4.9270 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -6.3340 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -6.9540 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -6.1790 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -4.7880 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -4.1350 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -2.7860 -0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -3.7910 -0.3560 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -4.9550 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -6.0420 0.7360 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8530 1.8240 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -0.6270 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -0.2870 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 3.2400 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -2.3330 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -6.9740 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -8.0360 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -6.6590 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 -4.3760 -0.4910 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 8 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 7 1 0 0 0 0 6 24 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 19 20 1 0 0 0 0 19 29 2 0 0 0 0 M CHG 1 20 -1 M END