MDPI-ZINC03850278 MOE2007 3D CORINA 3.40 0006 02.08.2006 79 82 0 0 1 0 0 0 0 0999 V2000 -0.4430 -1.3960 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -0.6390 0.7940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6940 0.3980 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -0.6850 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -0.0460 3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.0670 4.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -0.5450 4.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 0.4440 5.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 0.3890 6.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -1.2920 -0.2620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2580 -1.3750 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -2.6800 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -2.3420 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -0.9400 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 -0.1930 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 -0.7490 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0710 -0.4620 2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 1.0340 2.0670 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3350 1.2390 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 1.8280 3.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9830 3.3210 3.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0510 3.5050 2.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 3.7600 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 2.9590 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 1.4700 0.8090 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0250 1.2390 1.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6960 1.8720 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 1.6640 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 0.9920 -0.3080 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3400 1.3520 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -0.5150 -0.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8150 -0.8910 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 1.2900 0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 2.4900 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 3.2690 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 2.8680 2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 0.6630 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 4.0770 4.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0980 5.2330 4.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0310 5.6000 3.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 6.0720 5.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -1.3050 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -2.4480 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -0.9750 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -1.7220 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -0.1360 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 0.9850 2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -0.6060 3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -0.6500 7.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 0.9420 6.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 0.8340 7.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -3.2010 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -3.2790 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -2.3850 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 -3.0420 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 -0.2660 3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -1.8250 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6520 -0.7700 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4050 -1.0190 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 1.6440 3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 1.5150 4.1670 H 0 0 0 0 0 0 0 0 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