MDPI-ZINC04268189 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 82 0 0 1 0 0 0 0 0999 V2000 0.1210 1.8600 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 0.3610 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.1400 1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -0.4190 -1.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -1.8570 -0.9770 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5050 -2.0680 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -2.3900 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -2.0500 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -2.5850 -3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -2.2930 -3.4340 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0290 -1.1820 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -2.5550 -2.1410 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1760 -2.2280 -2.3030 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7010 -3.1820 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -1.5770 -1.0470 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1330 -0.7130 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -1.1360 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -0.2690 -2.4710 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9710 -1.2420 -3.6020 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4430 -2.2120 -3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -1.3250 -3.5050 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8960 -1.8200 -4.8440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5130 -0.9510 -5.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -2.7800 -4.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -2.4120 -5.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -1.5400 -5.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 -0.6760 -4.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -0.6990 -7.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 -2.3710 -6.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 0.0910 -3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 0.6510 -3.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 0.6840 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 1.8620 -1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 0.3860 -2.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 -0.4080 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 -1.6070 -2.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0390 0.1960 -2.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -2.5370 0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -2.0420 1.2880 C 0 0 0 0 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