MDPI-ZINC04268176 MOE2007 3D CORINA 3.40 0006 02.08.2006 76 79 0 0 1 0 0 0 0 0999 V2000 0.2410 1.4920 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -0.0150 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -0.6310 0.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -0.6730 -1.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -2.1250 -1.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2730 -2.4490 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -2.6180 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -2.0690 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -2.3630 -3.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -2.1100 -3.6820 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1230 -0.9970 -3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -2.6870 -2.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1070 -2.2240 -2.3330 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0060 -1.1230 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -2.7630 -1.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5580 -1.9270 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -3.8990 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -3.5770 -2.8180 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6030 -3.5260 -3.9610 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1320 -3.4440 -4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 -2.1950 -3.6220 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1400 -1.6880 -4.8240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9190 -0.6280 -4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -2.4690 -4.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -1.8760 -6.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -0.9940 -7.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -0.0950 -6.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -1.1250 -8.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -1.2830 -3.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -0.0940 -3.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 -2.1420 -2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 -1.7360 -2.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 -4.6880 -3.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -5.7160 -4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 -5.6380 -5.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -6.9660 -4.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 -4.5140 -3.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -3.1870 -0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -3.0870 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -2.6590 1.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -3.5100 2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -4.2100 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -1.3780 -4.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -3.7720 -4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 1.8590 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 1.8630 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 1.8430 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -2.2380 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -3.7000 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -0.9880 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 -2.5210 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -4.8230 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -4.0490 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -2.1540 -5.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -3.5310 -4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -1.9880 -8.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -0.2240 -8.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -1.2590 -9.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0360 -2.4580 -1.8940 H 0 0 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