CHEMBRIDGE-ZINC04754754 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 1.8200 1.0530 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -0.4660 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -0.8180 1.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -2.1230 1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -2.9430 0.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -2.5640 2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -4.0880 2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -4.5310 4.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -3.9820 5.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -2.5370 5.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -2.1180 3.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -4.8030 6.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -6.1030 6.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -6.7760 7.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -7.9840 7.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -5.9570 8.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -6.3640 9.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -7.7970 9.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -8.2780 10.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -9.6230 10.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -10.5020 9.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -10.0300 8.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -8.6860 8.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -11.8270 10.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -12.6750 9.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -4.3100 7.5370 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 1.5290 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 1.3170 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 1.3950 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -0.9420 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -0.8080 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -2.1140 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -4.5390 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 -4.4070 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -5.6190 4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 -4.1550 4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -2.3100 6.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -1.9990 5.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -1.0330 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -2.5870 3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -5.6330 9.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -7.5960 11.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -9.9960 12.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -10.7170 7.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -8.3200 7.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -13.7060 9.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -12.3610 8.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -12.6050 8.3960 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 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 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 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 M END