IBS-ZINC05206395 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 0 0 0 0 0 0999 V2000 0.1110 0.8750 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 1.0150 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 3.0010 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 3.4790 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 4.9980 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 6.9210 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 7.2820 -2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2710 7.4480 -1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 7.7440 -2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6720 7.8800 -4.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 7.6910 -4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 7.4020 -3.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 7.8270 -6.2670 Br 0 0 0 0 0 0 0 0 0 0 0 0 -6.5200 8.1390 -5.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9540 9.5020 -5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3020 9.9600 -6.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 8.9630 -7.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5530 7.9900 -7.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8880 9.1990 -8.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3480 11.1450 -7.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5180 7.8920 -2.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0430 7.8980 -1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -0.2090 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 1.2840 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 1.1100 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 1.3890 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.0780 2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.4030 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 3.3810 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 3.3300 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 3.1860 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 3.0050 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 5.3290 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 5.4990 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 7.3890 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 7.2380 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 7.3400 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 7.2740 -3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8600 9.5970 -4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1740 10.1740 -4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1170 8.0970 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9150 6.9210 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5940 8.6950 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 1.4890 1.1530 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5290 1.1130 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 5.4380 -0.9750 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4080 5.1280 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 4.9930 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 44 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 46 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 21 22 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 44 1 M CHG 1 46 1 M END