IBS-ZINC06669572 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 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 -0.0720 1.0150 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 3.0270 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 3.4810 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 5.0090 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 5.4430 3.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 5.6460 4.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 6.0320 5.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 6.2490 5.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2520 6.6760 6.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3050 7.0130 7.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5040 7.3840 8.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 7.4240 7.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 7.0940 6.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 6.7170 5.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 6.3430 4.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7210 6.2880 3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7450 6.0590 4.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 5.6450 3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 5.4690 2.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5790 7.8410 10.2260 Br 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 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 1.3320 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -0.0740 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.3810 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 3.4080 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 3.4130 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 3.0950 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 3.1000 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 5.3950 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 5.3900 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 5.4820 4.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 6.9820 8.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5950 7.7160 8.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5280 7.1290 5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 38 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 M END