IBS-ZINC05561739 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 1 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 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9960 -0.1080 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -1.9990 -0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 -2.7650 0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2640 -2.7120 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -4.1930 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -4.1170 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -2.8870 -0.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -5.2680 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -5.0750 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -6.1560 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -7.4290 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -7.6280 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -6.5550 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -2.1780 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 -2.8930 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -2.3690 2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -1.1200 3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -0.4070 2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -0.9330 1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -0.2080 1.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6850 -3.3520 3.4990 Br 0 0 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 0.5120 -0.3560 -0.8950 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 -2.3990 -4.4700 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 -4.9000 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -4.0820 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -6.0090 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -8.2720 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -8.6240 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -6.7110 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 -3.8660 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -0.7040 4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 0.5670 3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 M END