MDPI-ZINC04268178 MOE2007 3D CORINA 3.40 0006 02.08.2006 76 79 0 0 1 0 0 0 0 0999 V2000 0.1750 1.4130 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.0890 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -0.7560 0.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -0.6870 -1.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -2.1390 -1.3240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1630 -2.5490 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -2.5360 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 -1.8500 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -2.2000 -3.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -2.0900 -3.8040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1960 -0.9980 -3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -2.6850 -2.6040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8140 -2.4020 -2.6850 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3130 -3.4010 -2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -1.6640 -1.4600 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8260 -0.7270 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -1.3560 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -0.6920 -2.9510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7700 -1.7300 -4.0470 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1090 -1.4030 -5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -1.6710 -3.9590 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6440 -2.2650 -5.2250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7590 -1.5340 -6.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -2.6320 -5.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -3.4570 -5.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -3.7550 -6.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -3.0450 -7.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -4.9760 -7.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -0.1880 -3.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 0.4290 -4.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 0.4140 -3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 1.6940 -2.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -3.0480 -3.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 -3.3600 -4.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1180 -2.5550 -4.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 -4.7130 -3.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4810 -0.2240 -3.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -2.5070 -0.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -1.8840 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -0.6770 0.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -2.6900 2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -4.2200 -2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -1.1630 -4.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -3.5720 -4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 1.8210 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 1.8080 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 1.6980 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -2.1740 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -3.6080 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -0.7660 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -2.1600 -2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 -2.2830 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -0.6820 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -2.1960 -5.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -3.7150 -5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 -5.4870 -6.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -4.6740 -7.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 -5.6490 -7.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 2.0300 -2.3220 H 0 0 0 0 0 0 0 0 0 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