MDPI-ZINC04261423 MOE2007 3D CORINA 3.40 0006 02.08.2006 86 90 0 0 1 0 0 0 0 0999 V2000 1.9680 -2.3790 3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -2.0930 1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -2.4640 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.9220 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -2.5440 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -3.3740 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 -2.9960 -0.9280 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0890 -3.3090 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -1.4800 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -3.6910 -0.9760 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5580 -3.4740 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 -3.2450 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -4.4680 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -5.3180 0.7350 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8790 -4.7990 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -5.2170 -0.8000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7630 -5.8910 -1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -7.2760 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -7.7380 0.1100 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4730 -7.9130 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -6.7280 1.2350 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8880 -6.8010 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -7.1370 2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -8.5370 2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -9.0440 2.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6310 -8.3740 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -9.0960 0.7280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6880 -9.4050 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -10.6360 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -11.3460 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -10.7270 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -11.3750 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -10.7920 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 -9.5680 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -8.9210 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -9.4900 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -12.4670 0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -11.0920 2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -12.2040 2.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -10.4400 2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 -10.1780 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -5.7940 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -1.7880 3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -2.1140 4.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -3.4390 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -1.0330 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -3.5240 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -2.2600 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -1.8730 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -3.9820 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -2.7230 2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -1.4850 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -2.7440 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -4.4330 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -3.1740 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -0.9870 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -1.2230 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -1.1510 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 -2.4060 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 -2.9700 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