IBS-ZINC00488227 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -0.6320 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 0.0160 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -2.1040 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -2.8650 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -4.2220 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -4.8400 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -6.0570 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -4.0980 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -2.7530 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -4.7640 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 -5.0030 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6100 -5.6880 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 -7.0120 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 -7.2110 1.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0000 -4.1340 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7660 -6.0610 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 -5.0850 1.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -5.2720 -0.0400 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -2.3740 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -2.1780 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -4.1340 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -5.7190 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -5.6330 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 -4.0480 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0830 -7.7790 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8340 -5.9150 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 M END