ANALYTICONDISCOVERY-ZINC04221682 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.3490 1.3970 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 0.1310 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -0.6450 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -1.9650 0.6840 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -1.4420 -0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -0.3680 -0.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -0.4300 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 0.5380 2.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -1.3040 3.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -1.0900 4.6230 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9470 -0.0210 4.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -1.6740 4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -3.1690 4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -3.8170 5.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -3.2770 5.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6140 -3.4210 4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -1.7810 5.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -3.9880 6.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -4.0410 7.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -4.5650 6.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -5.2560 7.6940 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5960 -5.7440 8.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 -4.2430 8.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -6.2910 7.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -6.4370 6.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -7.0550 8.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -4.8860 5.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -5.5130 6.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 -5.2930 5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 -6.4320 6.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -6.5420 5.9150 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 -5.0610 5.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -4.5690 5.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5050 -4.4180 4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 2.2480 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 1.5270 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 1.3300 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -2.0760 3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -1.5360 5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -1.1650 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 -3.6100 4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -3.3040 3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -1.3490 5.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -1.6420 6.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -4.5220 5.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -3.7550 8.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -3.4940 8.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 -4.7570 9.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -6.9380 9.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 -7.7210 7.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 -7.1550 6.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3890 -5.0420 4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6860 -3.4350 4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2940 -4.3100 3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 M END