ANALYTICONDISCOVERY-ZINC04149994 MOE2007 3D CORINA 3.40 0006 02.08.2006 77 81 0 0 1 0 0 0 0 0999 V2000 2.9720 3.3730 3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 2.6740 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 1.2490 3.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 0.2880 4.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -0.2270 4.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 0.8230 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 1.6260 0.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 -0.6530 1.5020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5530 -1.2120 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -0.9460 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -1.0710 1.4800 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0060 -0.8550 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.3010 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 -0.7060 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -2.2080 0.1310 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3970 -2.5530 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5620 -4.0500 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 -4.9290 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9870 -6.1930 0.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2360 -6.4160 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0570 -4.9390 0.0180 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8230 -7.6710 0.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4600 -7.8100 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 -9.1980 0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7930 -7.0000 -1.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2280 -7.0660 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9880 -5.9480 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6050 -5.3430 2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4640 -5.8550 3.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6860 -7.0080 3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0540 -7.6220 2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3080 -8.7160 2.8630 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1420 -9.2380 4.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7310 -8.6820 5.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5150 -7.5690 5.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1470 -4.4980 0.8030 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5460 -4.6610 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 -3.0090 1.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5660 -2.8660 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -2.5670 1.1890 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2040 -2.7770 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -3.2940 2.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -5.3210 1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 -2.5300 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 3.1830 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 4.4460 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 2.9880 4.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 2.7900 4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 3.1200 2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -0.5480 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 0.7760 5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -0.9420 5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 0.6090 4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.7150 3.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -2.0230 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -0.5670 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -0.4590 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -0.5460 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 0.7700 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -0.1490 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 -0.4720 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9310 -2.1500 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -2.1180 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -8.4670 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1160 -5.5220 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2040 -4.4560 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9480 -5.3780 4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5320 -10.1230 4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 -9.1340 6.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9800 -7.1250 5.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -3.1400 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -5.0210 2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -5.1480 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 -6.3790 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9970 -1.9750 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 -3.5990 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -2.2470 -1.3700 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 1 0 0 0 0 2 48 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 5 52 1 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