ANALYTICONDISCOVERY-ZINC04221524 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 84 0 0 1 0 0 0 0 0999 V2000 -1.3380 -2.8140 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -1.5030 -1.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -1.1200 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 0.1740 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 0.5840 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -0.4670 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -0.5380 -3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -1.5000 -4.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 0.5380 -4.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 0.6480 -5.6030 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0230 -0.0690 -6.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 2.0790 -6.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.8040 -5.7720 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9520 3.5910 -6.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 1.7440 -5.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 0.4170 -5.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 2.0500 -5.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 3.2140 -5.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 0.8900 -6.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5880 -0.0750 -5.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 1.0100 -4.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 -0.0200 -5.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9210 0.0760 -6.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9210 -0.0700 -7.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 0.9480 -7.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2000 1.9460 -7.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 0.6270 -8.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 -0.4580 -8.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 1.6000 -9.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 2.8830 -9.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 3.4330 -10.9760 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6180 4.5270 -10.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 2.8340 -11.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 1.4340 -10.4540 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4740 1.1290 -9.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 0.4260 -11.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 0.6620 -12.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 2.9780 -12.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4420 3.7620 -12.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 4.9040 -12.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1640 3.1470 -13.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9210 1.9530 -14.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8910 1.7940 -15.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7170 2.8890 -15.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2800 3.6960 -14.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9190 4.9410 -14.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 3.4380 -4.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 2.6100 -3.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -2.7030 -2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -3.2720 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -3.4370 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -1.7960 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 0.7630 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 1.5610 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 1.3310 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 2.0560 -7.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 2.5500 -5.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -0.2450 -5.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 0.0090 -6.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5580 2.0140 -4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 0.8860 -3.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9670 0.1330 -4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 -1.0280 -4.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 1.0410 -6.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6880 -0.7030 -6.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4380 0.0540 -8.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 -1.0940 -7.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 3.5280 -8.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2380 2.7510 -9.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 3.4250 -10.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 2.8280 -12.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 1.9810 -12.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 1.2580 -14.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9730 0.9690 -16.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5780 3.1540 -16.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2060 4.8890 -12.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 5.0860 -14.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2190 5.7590 -14.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -0.4730 -11.7760 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5210 4.6990 -4.3230 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