MDPI-ZINC04268177 MOE2007 3D CORINA 3.40 0006 02.08.2006 76 79 0 0 1 0 0 0 0 0999 V2000 0.3540 1.9620 -1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 0.5170 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 0.2320 0.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -0.4540 -1.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -1.8010 -1.4470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1500 -1.7670 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -2.4100 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -3.5240 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -4.5610 -0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -3.9990 -1.2710 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3780 -3.6150 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -2.7650 -2.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2770 -3.1710 -3.5540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7380 -3.6520 -3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1240 -4.5980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7960 -2.5920 -5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -1.7610 -5.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -3.0410 -6.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3340 -3.8610 -4.9660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8170 -4.7550 -5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -4.2980 -4.2030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3870 -5.4610 -3.2930 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5520 -6.1680 -3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -5.0510 -1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -6.1960 -3.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -7.5140 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -8.0420 -2.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 -8.3350 -4.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -4.7700 -5.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -5.6540 -5.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -3.9420 -6.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -3.9760 -7.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -3.1380 -4.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 -3.2620 -4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8560 -3.9600 -5.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 -2.5310 -3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -2.7850 -7.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -0.9410 -4.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -0.2950 -4.9220 C 0 0 0 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