CHEMBRIDGE-ZINC04611236 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 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 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1390 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4880 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -1.8690 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -2.6250 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.0030 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.8290 0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4020 -2.1830 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -3.7760 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -5.1160 0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -4.9840 -0.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -3.7580 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 -3.3350 -1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -4.1710 -1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 -3.5300 -2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 -2.1960 -2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -1.6680 -1.5630 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -6.3230 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -7.5290 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -8.7210 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -8.7170 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -7.5190 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -6.3220 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 -7.5200 2.5660 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2170 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1010 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -2.3570 3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -3.7040 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -3.6510 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -3.6040 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 -5.2470 -1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -4.0680 -2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 -1.5380 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -7.5330 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -9.6580 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -9.6510 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -5.3880 1.5950 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 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 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 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 M END