PUBCHEM-ZINC05580718 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3000 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -0.4430 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 0.6960 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 1.7820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 3.1930 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5470 3.3230 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 3.6730 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 5.1060 -1.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0030 5.8270 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 4.9140 -0.4370 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7600 4.4960 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 3.9900 0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 6.2480 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 6.0740 1.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 5.4900 -2.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 0.5210 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -0.7190 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -1.7660 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -1.6490 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -3.4980 -0.0530 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 1.6140 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 3.7030 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 3.0420 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 6.5920 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 6.9860 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 6.8820 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 5.5170 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 2.5120 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 1.4800 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 17 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 M END