CHEMBRIDGE-ZINC01148425 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0100 1.3590 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0110 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -0.6790 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.0420 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 1.4170 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0730 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 2.1450 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 1.5920 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 0.5030 -1.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 2.3280 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1010 1.5000 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3810 1.6450 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 0.8850 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0950 -0.0180 -2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8160 -0.1620 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 0.6010 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1610 -0.8320 -2.8650 N 0 3 0 0 0 0 0 0 0 0 0 0 10.4070 -0.7050 -4.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7930 -1.6270 -2.1930 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2420 -2.1460 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -2.7260 0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.8400 0.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -4.2180 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -4.9780 0.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -6.2700 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -6.6190 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -5.1600 0.7450 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.8740 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -0.5650 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 -0.4700 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 3.1440 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 3.0470 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 3.2830 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2590 2.5040 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 2.3500 -3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5960 0.9980 -4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3760 -0.8680 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6070 0.4910 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -2.3770 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -6.9880 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -7.6220 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 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 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 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 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END