PUBCHEM-ZINC06755453 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 0 0 0 0 0 0999 V2000 0.6460 0.8840 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -0.6020 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -1.4530 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.8220 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -3.3620 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -4.6480 0.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -4.7050 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -5.7140 0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -3.3010 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -2.4890 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -1.1080 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 0.0590 -0.1600 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -2.9040 0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 -3.3930 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 -3.1050 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4230 -3.5930 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -4.3680 -3.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 -4.6580 -3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -4.1680 -2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6860 -4.8900 -4.1880 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.8760 -4.6360 -4.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 -5.5720 -5.0620 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7140 1.0940 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 1.2340 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 1.3960 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -1.0440 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -3.4710 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -2.2740 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 -2.5000 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4790 -3.3690 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -5.2630 -3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -4.3900 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END