PUBCHEM-ZINC04639822 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 1.2030 -1.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8470 2.2430 -2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 2.0800 -3.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 3.4550 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 4.4220 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5590 5.5560 -1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 5.7380 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 4.7850 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 3.6430 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 7.2970 0.2480 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.1360 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -0.2360 -3.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -1.2190 -1.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -2.4750 -2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 2.2920 -2.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 4.2820 -3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 6.3040 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 4.9340 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 2.8980 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -2.7200 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -2.3830 -3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -3.2660 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 1.1420 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 17 2 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M END