PUBCHEM-ZINC04877256 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 1 0 0 0 0 0999 V2000 -0.0050 0.9110 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.3610 -0.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -0.4180 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 0.8360 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 1.6830 -0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 3.1250 -0.3270 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9020 3.5170 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 3.5420 -1.7920 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9060 2.8650 -2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 4.8980 -1.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4770 5.2080 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 4.6640 -0.9710 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2690 4.1720 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 3.7090 0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 5.9120 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 5.5720 0.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 4.7780 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 5.9010 -1.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 5.4590 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 3.7510 -1.9730 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7630 1.3180 0.9590 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6920 0.7400 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4730 -2.7080 0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -1.6950 1.5460 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9050 1.3340 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 6.3270 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 6.6820 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 22 1 M CHG 1 24 -1 M END