ANALYTICONDISCOVERY-ZINC04151580 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 74 0 0 1 0 0 0 0 0999 V2000 4.3590 -0.6440 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 -1.6980 -0.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -2.8590 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -3.5290 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -2.8040 -0.7510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -1.7070 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -5.0740 0.7650 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -6.0030 0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -4.8900 2.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -5.4390 0.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -5.7810 -1.2010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7620 -5.2540 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -7.2760 -1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -8.0710 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -7.4680 -0.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -6.1970 -1.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1220 -5.6100 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -5.3000 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -6.5590 -2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -7.1680 -3.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 -6.2060 -2.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 -6.5410 -3.1890 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3440 -7.2710 -3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 -5.2940 -3.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1720 -4.6490 -4.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 -3.5640 -4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 -3.3230 -5.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 -2.5990 -5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -4.2100 -6.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -5.0550 -6.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 -6.0740 -6.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 -6.2070 -8.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 -5.3460 -8.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 -4.3320 -7.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9130 -7.2410 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6060 -7.8120 -1.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6840 -7.7370 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3110 -8.3400 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0240 -7.3740 -2.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -8.0800 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 -7.6020 0.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -9.3790 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -9.9140 1.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 -11.1560 2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -11.7860 2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8050 -12.1350 2.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 -1.0220 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -0.3090 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 0.1760 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2340 -3.1050 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.8960 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -5.8860 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -7.4700 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -7.6410 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -9.0690 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -8.2160 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -4.2810 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -5.1980 -2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -5.7210 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0860 -5.5550 -4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 -4.5630 -3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 -2.9660 -3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 -6.7540 -6.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 -6.9910 -8.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -5.4650 -9.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -3.6660 -7.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -10.1130 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -9.1630 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -11.8620 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -10.9670 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -11.9320 4.2460 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 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 50 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 51 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 64 1 0 0 0 0 33 34 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 35 36 1 0 0 0 0 35 39 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 42 67 1 0 0 0 0 42 68 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 69 1 0 0 0 0 44 70 1 0 0 0 0 45 46 2 0 0 0 0 45 71 1 0 0 0 0 M CHG 1 71 -1 M END