MDPI-ZINC04273512 MOE2007 3D CORINA 3.40 0006 02.08.2006 88 91 0 0 1 0 0 0 0 0999 V2000 2.2310 -1.0120 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -2.3120 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.3920 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -2.3420 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -3.6940 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -3.7220 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -5.0740 -0.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8910 -5.8760 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -5.2250 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 -5.1510 -0.2720 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3920 -4.4250 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -4.8900 -1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 -6.1620 -2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 -6.8120 -0.9750 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7450 -7.8720 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 -6.5670 0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8350 -6.7260 1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -5.8640 1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1950 -6.2900 0.8400 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.3880 -7.3560 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7800 -6.0110 -0.6080 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.5900 -6.2820 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4970 -4.5160 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7640 -3.7210 -0.4460 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.5640 -2.6560 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1950 -4.0100 0.9930 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.4580 -5.4970 1.1820 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.8760 -5.7980 2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1410 -5.0080 2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8620 -3.5110 2.8150 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.0610 -3.2220 3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4650 -3.2180 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0630 -2.7610 3.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2300 -2.3960 4.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4000 -2.6940 5.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4530 -1.6150 4.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5860 -5.8990 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1520 -3.6210 1.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8260 -4.1130 -1.3570 O 0 0 0 0 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