PUBCHEM-ZINC05842743 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -0.6940 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -1.6410 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -1.8970 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 -1.2130 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 -0.2600 -2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 0.0190 -2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 1.0460 -2.8500 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 1.0630 -3.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 2.0500 -4.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -0.0050 -3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.7190 -2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -1.6300 -2.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -1.9370 -3.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -1.3180 -4.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -0.3250 -4.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -1.8070 -6.2420 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 2.2360 -2.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 -1.5020 -1.1950 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7030 -2.3420 -0.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9810 -0.9000 -1.9550 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -2.1780 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -2.6330 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 0.2710 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -2.6860 -3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 0.1770 -5.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 2.1140 -3.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 3.1130 -3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 2.3680 -2.0490 H 0 0 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 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 14 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 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 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 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END