MDPI-ZINC03850276 MOE2007 3D CORINA 3.40 0006 02.08.2006 79 82 0 0 1 0 0 0 0 0999 V2000 -1.1930 -0.9590 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -0.1360 0.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2670 0.9140 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.6370 1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 0.0350 2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.5880 3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -1.4150 3.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -0.2250 4.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -0.7910 6.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -0.2860 -0.9360 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7850 -0.0260 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -1.7320 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -1.6250 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 -0.3090 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -0.0130 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 -1.0150 1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -0.9520 3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 0.5020 3.8030 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0460 0.8970 3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 0.5670 5.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 0.0180 6.0580 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4000 0.0670 7.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 0.8560 5.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 0.7800 4.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 1.3240 3.4480 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6740 1.3200 1.9530 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2860 2.0830 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 1.6530 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 1.8300 0.2340 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4970 2.6870 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 0.6030 -0.5510 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0560 1.0520 -1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 2.0780 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 3.3610 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 4.2470 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 3.6960 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 2.7730 3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -1.3620 5.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -2.1710 6.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -1.7400 7.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -3.6170 6.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -0.5480 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -1.9940 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -0.9200 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -1.7170 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -0.3910 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 1.1000 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -0.1000 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -1.8780 6.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.4330 6.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -0.4870 7.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -2.3350 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -2.1720 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -2.4530 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -1.6000 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -2.0150 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 -0.8030 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -1.3000 3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7540 -1.5780 3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 -0.0310 5.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6070 1.6020 5.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 0.4690 6.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 1.8930 5.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -0.2570 3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 1.3760 3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 0.8400 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 2.5760 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 1.6150 -2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 1.6850 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 0.1770 -2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 3.2880 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 4.7780 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 3.2630 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 3.1690 3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 3.3720 3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 2.8080 4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 -3.8190 5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -4.2560 6.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -3.8210 6.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 45 1 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