IBS-ZINC04027812 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 0.1140 1.2440 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.1820 0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -0.6660 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -0.0050 -0.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -2.1850 -0.1150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4580 -2.5770 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -2.6940 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -4.1470 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -5.0940 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -5.0310 3.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -6.1910 4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -7.4000 3.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -7.4870 2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -6.3190 2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -6.1200 0.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -6.8500 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -4.8040 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -4.1990 -0.7570 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0060 -4.4670 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -4.6200 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 -5.0510 -2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 -5.4300 -2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7250 -5.3840 -1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 -4.9520 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 -4.5670 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 -4.8900 0.9440 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 1.5160 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 1.6030 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 1.7060 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -2.5170 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -2.1360 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -4.0950 3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -6.1460 5.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -8.2910 4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 -8.4310 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 -5.1010 -3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 -5.7650 -3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7390 -5.6860 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 -4.2390 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -2.6980 -0.6490 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3080 -2.3550 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -2.2610 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 7 1 0 0 0 0 5 40 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 1 40 1 M END