PUBCHEM-ZINC00351859 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 0.9530 1.4300 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -0.0700 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -0.7200 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -2.0770 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -3.0930 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -4.2690 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -3.9900 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -2.6770 -0.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -4.9370 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -4.5400 -2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -5.4640 -3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -6.7930 -3.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -7.1960 -2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -6.2910 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -8.0620 -4.7420 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -0.8350 -0.4860 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7630 -2.1520 -0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -0.1990 -1.2440 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6120 1.6900 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 1.8220 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 1.8620 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -0.1880 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -2.9320 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -5.2270 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -3.5080 -2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -5.1630 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -8.2310 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -6.6070 0.0090 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 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 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 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 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 27 1 0 0 0 0 14 28 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END