MDPI-ZINC04293117 MOE2007 3D CORINA 3.40 0006 02.08.2006 81 84 0 0 1 0 0 0 0 0999 V2000 0.0630 1.4030 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.0550 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2260 -0.7130 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -0.3140 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -0.1020 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -0.3570 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 -0.6760 -0.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -0.2310 1.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -0.4920 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -0.3300 -1.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1590 0.1820 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 0.0610 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -1.1890 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -1.9300 -2.4520 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7250 -1.2810 -3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.8490 -1.5620 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5450 -2.4150 -2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -3.8440 -2.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -3.8380 -3.6900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7620 -3.1420 -4.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -3.3020 -2.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0300 -3.2090 -3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 -4.2980 -1.9110 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9260 -4.5070 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -5.6300 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 -6.1840 -3.2450 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9940 -6.2900 -2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -5.2060 -4.3040 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3180 -5.0730 -5.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -6.4230 -6.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 -7.4740 -5.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0050 -8.4560 -5.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -7.5510 -3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -7.2180 -4.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -7.7950 -5.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 -8.4920 -6.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7830 -7.5750 -4.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -5.7490 -4.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -3.8120 -1.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -4.1870 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -4.8970 0.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3150 -3.7230 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -2.5320 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 1.5880 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 2.0610 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 1.5990 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 0.3760 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -1.3390 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -0.7920 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 0.9230 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7040 -0.3540 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4730 0.1990 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 -1.5160 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 0.9030 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 0.3040 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -0.8770 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -1.7630 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -2.4420 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -1.7920 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -4.4820 -1.9040 H 0 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