ANALYTICONDISCOVERY-ZINC04221523 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 84 0 0 1 0 0 0 0 0999 V2000 2.1650 -0.0440 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 1.1660 0.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 2.4050 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 3.3150 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 2.5960 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 1.2510 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 0.1160 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -1.0490 -1.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 0.4230 -2.8740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.5660 -3.8620 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4840 -1.5140 -3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.0900 -4.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 0.7550 -5.7850 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6260 0.7200 -6.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 0.0530 -6.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -0.7380 -4.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 0.1550 -7.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 0.8950 -8.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -0.8190 -7.6180 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6380 -0.9570 -6.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -2.1670 -8.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -3.2240 -8.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 -2.7420 -9.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0590 -1.4040 -9.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -0.3240 -8.7460 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3950 -0.1520 -9.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 0.9640 -8.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 1.2250 -7.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 1.7220 -9.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9400 1.5390 -10.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 2.5840 -11.5930 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2290 2.1600 -12.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8650 2.9540 -10.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1540 2.8470 -9.2130 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8650 2.5760 -8.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 4.2150 -8.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 4.7500 -9.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 3.7470 -11.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 4.0230 -13.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 3.2870 -14.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 5.2420 -13.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 6.0990 -12.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 7.1490 -13.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 6.9260 -14.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 5.7760 -14.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 5.2230 -15.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 2.2380 -5.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 2.4140 -4.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -0.4970 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -0.7170 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 0.2010 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 2.5410 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 4.3780 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 3.0320 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 1.4120 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -0.9640 -5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 0.4520 -4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -0.4010 -4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -1.7870 -5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -2.5500 -7.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -2.0170 -8.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -3.4680 -7.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -4.1470 -8.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 -3.4870 -9.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -2.6420 -10.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -1.5380 -8.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 -1.0900 -9.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 0.5320 -11.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 1.6410 -11.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6670 2.2060 -10.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3120 3.9380 -10.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7490 4.3680 -11.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 5.9860 -11.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 7.9740 -12.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 7.4890 -15.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 4.2410 -16.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 5.8810 -16.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 5.1560 -16.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 4.6730 -7.7100 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3670 3.0940 -6.0840 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 53 1 0 0 0 0 5 6 2 0 0 0 0 5 54 1 0 0 0 0 6 7 1 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 55 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 56 1 0 0 0 0 12 57 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 58 1 0 0 0 0 16 59 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 38 1 0 0 0 0 33 34 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 36 79 1 0 0 0 0 38 39 1 0 0 0 0 38 72 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 41 45 1 0 0 0 0 42 43 1 0 0 0 0 42 73 1 0 0 0 0 43 44 2 0 0 0 0 43 74 1 0 0 0 0 44 45 1 0 0 0 0 44 75 1 0 0 0 0 45 46 1 0 0 0 0 46 76 1 0 0 0 0 46 77 1 0 0 0 0 46 78 1 0 0 0 0 47 48 2 0 0 0 0 47 80 1 0 0 0 0 M CHG 1 79 -1 M CHG 1 80 -1 M END