ANALYTICONDISCOVERY-ZINC04222406 MOE2007 3D CORINA 3.40 0006 02.08.2006 79 82 0 0 1 0 0 0 0 0999 V2000 0.6490 1.6060 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 0.0760 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -0.4090 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -0.4470 2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -0.0680 3.5530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1830 1.0100 3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -0.4810 4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -1.8720 4.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -0.7580 3.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -0.2410 3.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 0.7960 4.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -0.9500 3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 -0.1590 4.5600 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4340 0.8780 4.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 -0.2150 6.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -0.4070 6.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4930 -0.4040 8.5650 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -0.1470 7.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -0.0810 6.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -0.0260 8.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -0.1110 9.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -0.2930 10.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 0.0180 10.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -1.1160 11.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -0.9860 11.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 0.2600 12.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 1.3860 11.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 1.2760 11.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 2.3780 10.9260 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -2.3350 10.6610 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.6430 -0.5950 6.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8870 -0.1410 5.1560 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8440 0.9470 5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 -0.7690 4.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1420 -0.4620 2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5310 -0.9810 2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5680 -0.2790 3.2960 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.4970 0.7990 3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2840 -0.6250 4.7550 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.3290 0.0480 5.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3660 -2.1420 4.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7100 -2.5760 4.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8790 -0.7240 2.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 -2.2820 4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 1.9770 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 1.9780 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 1.9510 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -0.2960 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 -0.0380 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -1.4990 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -0.0370 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -1.5320 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -0.0050 2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 0.0980 5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -0.2920 5.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -2.2040 5.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -1.5870 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -1.0290 2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 -1.9490 4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 0.1200 8.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -1.8610 12.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 0.3540 12.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 2.3560 12.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9070 -1.6480 6.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2570 0.0000 7.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 0.6160 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3990 -0.9420 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7370 -0.7640 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5760 -2.0570 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2690 1.1290 5.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3240 -0.2950 5.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1380 -0.2120 6.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7050 -2.6320 4.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0620 -2.4010 5.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8370 -3.5290 4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1200 -0.5440 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2510 -2.5180 5.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 -2.7860 3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 -2.6180 4.4850 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 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