MDPI-ZINC03846371 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -0.0790 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 0.5490 -0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -1.3330 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -1.8130 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -1.4840 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -0.6690 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -0.1910 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 -1.9950 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 -2.7040 0.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.5840 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -1.5870 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -2.4430 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -0.4100 -1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 0.4430 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -0.4050 -2.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2400 -1.6750 -0.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1360 -2.0330 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 -0.1150 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 M END