PUBCHEM-ZINC05561005 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.0060 1.4910 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.0370 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -0.5680 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -2.0960 0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8250 -2.4180 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -2.6140 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 -2.1570 0.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -3.5820 -0.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 -4.0760 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 -3.3510 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6930 -3.8540 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 -5.0780 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -5.8030 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -5.3070 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3260 -5.6150 -0.8710 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.2360 -4.9780 -1.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5510 -6.6940 -0.3520 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5670 -2.8060 1.6650 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 1.8690 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8820 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 1.8120 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3580 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -0.4280 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -0.2480 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1770 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 -2.3940 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5010 -3.2900 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 -6.7590 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 -5.8750 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 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 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 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END