ANALYTICONDISCOVERY-ZINC04221465 MOE2007 3D CORINA 3.40 0006 02.08.2006 76 80 0 0 1 0 0 0 0 0999 V2000 -1.4520 -2.5340 -2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -1.6120 -2.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -1.7020 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -0.6710 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 0.0640 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.5260 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -0.1500 -3.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -0.8840 -4.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 1.0860 -4.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 1.6310 -5.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6170 0.9960 -6.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 3.0890 -5.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 3.8920 -4.8910 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8570 4.8790 -5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 3.0760 -5.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 1.7550 -5.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 3.5870 -4.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 4.7570 -4.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 2.6210 -4.9170 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0680 1.7090 -4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5630 3.1700 -4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7490 2.2150 -4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 1.8600 -5.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 1.2850 -6.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 2.2040 -6.3450 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9970 1.6150 -6.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 3.3720 -7.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 4.4560 -6.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 3.1120 -8.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 1.8980 -9.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 2.1710 -10.8060 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7020 1.2710 -11.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 3.2620 -10.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 4.1100 -9.6720 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2390 4.6040 -9.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 5.1930 -9.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 4.7850 -10.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 2.6720 -11.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 2.1530 -12.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 1.1870 -13.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 2.8570 -12.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 3.4300 -14.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 4.3520 -12.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 4.0570 -3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 2.9900 -2.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -1.9650 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -3.0830 -3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -3.2370 -2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -2.4870 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -0.4650 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 0.9380 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 1.7120 -3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 3.3610 -6.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 3.2600 -5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 0.9640 -5.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 1.7600 -6.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 4.1460 -4.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2290 3.3440 -3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5800 2.6710 -3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4740 1.3010 -3.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6040 2.7500 -5.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0130 1.1280 -5.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 1.0710 -7.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 0.3200 -5.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 1.0700 -9.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 1.6750 -8.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 2.7960 -10.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 3.8350 -11.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 3.5130 -10.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 2.4070 -12.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 3.3570 -14.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 3.3470 -14.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 4.8910 -12.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 4.9080 -12.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7030 6.3240 -10.3240 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9240 5.1980 -3.0450 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 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 49 1 0 0 0 0 4 5 1 0 0 0 0 4 50 1 0 0 0 0 5 6 2 0 0 0 0 5 51 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 52 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 53 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 55 1 0 0 0 0 16 56 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 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 63 1 0 0 0 0 24 64 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 65 1 0 0 0 0 30 66 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 67 1 0 0 0 0 33 68 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 75 1 0 0 0 0 38 39 1 0 0 0 0 38 69 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 70 1 0 0 0 0 42 43 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 44 45 2 0 0 0 0 44 76 1 0 0 0 0 M CHG 1 75 -1 M CHG 1 76 -1 M END