PUBCHEM-ZINC03584611 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 0.0050 1.5140 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 0.0070 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.6830 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.0650 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -2.7630 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.0680 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.6810 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7680 -2.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -2.2840 -3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -1.2010 -3.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -3.0700 -4.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -2.5780 -5.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -3.3530 -6.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -4.5780 -6.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -5.0150 -5.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -4.3120 -4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -2.7460 -8.4880 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.1230 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.8900 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.8720 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.8710 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.1410 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.6020 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -0.1390 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -3.6020 -2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -1.6190 -5.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -5.1850 -7.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -4.7020 -3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -4.5270 0.0140 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 7 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 23 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 18 29 1 0 0 0 0 M END