PUBCHEM-ZINC05926524 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -0.7010 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.0970 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -2.8080 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -3.7780 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -2.1930 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -2.8510 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -0.7300 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -0.0940 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 1.1950 0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 1.8360 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 1.1010 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 1.7540 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 3.1400 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 3.8860 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 3.2450 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 4.0360 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 3.4740 0.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7620 4.0150 0.1330 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -2.7500 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 0.0210 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 0.5940 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 0.0220 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9480 1.1820 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 4.9640 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -3.7160 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 5.3820 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 5.8570 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 9 2 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 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 21 30 1 0 0 0 0 22 23 3 0 0 0 0 31 32 1 0 0 0 0 M END