NIH-ZINC04056904 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.1740 1.6710 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 0.1430 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -0.3900 1.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -0.5790 2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -1.9370 2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -0.7780 1.1050 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -1.7340 2.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -1.0230 -0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 0.6640 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 0.8880 2.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 2.0180 3.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 2.9290 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 2.7010 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 1.5670 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 4.0730 2.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 4.9480 1.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6880 4.4530 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2570 5.3070 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 6.6970 1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5340 7.3170 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6630 6.5190 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5360 5.1480 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3560 4.5900 1.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 7.2200 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 8.3950 1.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 6.2110 1.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 6.3500 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 6.2720 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 7.4240 3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 7.3520 4.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 6.1300 4.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 4.9780 4.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 5.0500 2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 2.0360 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 2.0680 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 2.0000 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.2220 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -0.1860 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.5430 3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 0.2130 2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -1.9720 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -2.7290 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -2.0770 3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 0.1790 3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 2.1920 4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 3.4080 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 1.3860 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5390 4.2870 3.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6050 8.3890 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 6.9620 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4150 4.5240 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 7.3120 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 5.5480 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 8.3790 2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 8.2520 5.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 6.0740 5.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 4.0230 4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 4.1510 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 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 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 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 24 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 M END