ANALYTICONDISCOVERY-ZINC04221951 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 84 0 0 1 0 0 0 0 0999 V2000 0.6650 1.7350 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 0.2720 0.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8760 0.2470 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -0.5060 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -1.6960 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -2.2710 2.8160 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.9080 3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -0.0770 2.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -0.6850 4.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -1.5470 5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -0.9740 7.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -1.3040 7.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -0.7510 8.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 0.1420 9.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 0.4860 9.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -0.0650 7.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -2.4030 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -1.9700 -1.2010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8110 -0.3900 -1.2700 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8500 -0.0340 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 0.0490 -2.5700 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9310 -0.3550 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.4710 -3.8540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1410 -0.2020 -4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -2.0130 -3.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -2.5280 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 0.1210 -4.1750 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9370 -0.2780 -3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 1.6480 -4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -0.2880 -5.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -0.5050 -6.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 -0.3460 -5.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -0.7440 -6.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 0.3070 -8.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 1.1290 -10.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 0.7230 -11.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -0.3800 -12.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 -1.5320 -11.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -1.2500 -10.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 1.4530 -2.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 1.6460 -3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -2.6090 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 1.8190 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 2.3910 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 2.1470 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 0.1470 5.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -2.5550 5.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 -1.6460 5.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -1.9920 7.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -1.0140 9.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 0.5730 10.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 1.1880 9.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 0.2210 7.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -2.1400 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -3.4910 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -2.4110 -3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -2.4250 -4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -2.2750 -2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -3.6250 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 2.0080 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 2.0070 -4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 2.1190 -4.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -0.1210 -4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -0.9190 -6.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -1.6960 -7.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 0.4500 -8.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 1.2670 -7.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 1.9330 -9.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3490 1.4250 -10.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 1.5590 -12.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 0.4590 -11.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 -2.3400 -11.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 -1.8500 -11.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -0.9740 -10.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.1140 -9.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -2.2600 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -2.4030 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -3.6990 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -0.0660 -9.3520 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2160 -0.3180 -9.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 17 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 46 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 50 1 0 0 0 0 14 15 2 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 79 1 0 0 0 0 35 36 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 35 79 1 0 0 0 0 36 37 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 39 79 1 0 0 0 0 40 41 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 79 80 1 0 0 0 0 M CHG 1 79 1 M END