ANALYTICONDISCOVERY-ZINC04221694 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 1 0 0 0 0 0999 V2000 4.5080 0.4940 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -0.8780 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -1.4250 1.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -2.6500 1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 -3.1120 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -1.9200 -0.3540 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -3.4250 2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -4.5910 2.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -2.8420 3.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -1.4080 3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.7540 3.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -1.4920 4.8400 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8430 -1.0140 4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -2.9500 4.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -3.6280 4.2950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7690 -3.6780 5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -5.0200 3.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -5.1790 2.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -6.0870 4.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -7.4400 3.9440 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5840 -7.4790 3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -8.4350 5.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -8.1540 5.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -7.4010 6.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -7.3740 7.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -6.8940 8.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 -8.1270 6.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -8.6440 5.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -9.4520 4.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 -9.7340 4.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 -9.2240 5.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 -8.4310 6.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -7.7970 3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -6.9990 2.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -9.0020 2.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -1.4460 6.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -0.2680 7.2260 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -0.5130 8.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 0.9630 6.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -0.5390 7.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -1.3000 8.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 -1.3630 9.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -0.6520 8.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 0.1610 7.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 0.4160 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 0.9280 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 1.1300 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -4.0740 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -1.2740 4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -0.9500 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 0.2900 4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -0.8100 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -3.4690 5.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -2.9850 3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -5.9590 5.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -9.4500 4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -8.3330 5.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -6.8920 7.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -9.8520 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -10.3580 3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 -9.4550 5.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2470 -8.0370 7.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -9.6390 2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -9.2310 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.1050 6.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -1.8280 9.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 -1.9440 9.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7280 -0.5840 8.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 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 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 48 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 15 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 14 15 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 17 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 55 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 31 2 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 36 65 1 0 0 0 0 37 38 2 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 40 41 2 0 0 0 0 40 44 1 0 0 0 0 41 42 1 0 0 0 0 41 66 1 0 0 0 0 42 43 2 0 0 0 0 42 67 1 0 0 0 0 43 44 1 0 0 0 0 43 68 1 0 0 0 0 M END