PUBCHEM-ZINC03745892 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.4080 1.1410 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.3290 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -0.6960 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -0.6570 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -0.0340 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -0.3430 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0490 -1.3020 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -1.9450 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -1.6170 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 -2.8510 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -2.7270 -1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 -1.8010 -0.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1450 -1.5230 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 -3.4230 -1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4890 -4.8160 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6010 -5.5370 -2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6630 -4.8760 -2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6120 -3.4930 -3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4960 -2.7680 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5080 -0.8910 -2.9180 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -3.7290 -2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -4.8940 -2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -5.8880 -1.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 1.3390 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 1.4020 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 1.8180 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -0.9290 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -0.5320 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0980 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -1.7520 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 0.7090 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 0.1460 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.1270 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 -5.3530 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6290 -6.6150 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5270 -5.4370 -3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4430 -2.9900 -3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -4.1270 -3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -3.1350 -3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -4.7450 -2.2880 O 0 5 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 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 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 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 M CHG 1 40 -1 M END