ANALYTICONDISCOVERY-ZINC04221722 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 59 0 0 1 0 0 0 0 0999 V2000 -0.4280 -0.6030 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -1.4140 -1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -2.2470 -2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -0.5230 -2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 0.3060 -1.5520 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8870 0.9980 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 1.1880 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 0.9000 -2.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 0.1690 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4340 1.4330 -2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 2.0680 -3.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 -0.5610 -0.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -0.3590 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 0.5590 1.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 -1.3320 1.4110 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5000 -2.1710 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -1.9320 2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 -1.6010 3.9840 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6750 -1.7010 4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -0.1620 3.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8850 0.0760 2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -0.5920 1.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 -0.5020 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 -0.9540 -0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 0.2050 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6680 0.3970 -0.8990 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1460 1.2060 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0560 1.4760 -1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 2.5770 -1.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 -2.5450 4.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 -3.6000 5.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -3.8700 5.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 -4.4620 5.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4380 -5.3970 6.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -0.1010 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 0.1590 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -1.2530 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -2.1130 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -1.6070 -3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -2.8660 -3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -2.9170 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -1.1590 -3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 0.1520 -3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -1.3220 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -1.6010 2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -3.0230 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 0.5070 3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3510 0.1080 4.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 1.1520 2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 -0.2580 3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5670 1.2030 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3440 -0.3850 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8730 2.1440 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6390 0.5480 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 -2.4270 3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7660 -5.0110 4.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4630 -3.8310 5.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -5.4560 6.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9380 0.5960 -1.6270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 59 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 M CHG 1 59 -1 M END