PUBCHEM-ZINC03160147 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 -0.8690 1.3800 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -0.0520 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.4170 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -1.8310 1.2950 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3710 -2.0450 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -2.0850 2.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -1.3620 3.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -3.1880 2.4800 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -3.6710 3.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -4.8170 3.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 -5.3550 4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -4.7600 5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -3.6140 5.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -3.0740 4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 -5.3370 6.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7700 -6.3750 5.8650 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7050 -3.1560 1.2820 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 2.0890 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 1.6220 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 1.5240 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -0.7240 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -0.1680 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 0.3010 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -0.2890 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -3.7200 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -5.3110 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 -6.2460 3.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 -3.1330 6.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -2.1850 5.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 -4.7410 7.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 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 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 2 0 0 0 0 M CHG 1 16 -1 M END