PUBCHEM-ZINC06083934 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 0.6470 1.1950 -1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -0.1040 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -0.6430 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 0.1610 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 1.4750 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 1.9800 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 3.7430 -1.7740 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -0.3220 1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 -1.5540 1.5180 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9890 -1.9380 0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -2.7900 -0.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -4.1160 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -4.6360 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -5.9880 0.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -6.3520 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -6.9100 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -8.1110 0.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -6.3970 -0.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -7.0430 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -5.0690 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 -4.7090 -1.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -3.8710 1.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 1.5810 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -0.7100 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 2.0970 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -2.8620 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -4.2790 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 0.5660 2.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 28 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 M CHG 1 9 -1 M END