MDPI-ZINC03844123 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.9930 1.4280 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 0.0150 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -0.0920 1.0780 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3640 0.6890 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 0.0710 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -0.2960 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -0.1450 3.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 0.3730 4.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 0.7440 4.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 0.5890 3.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 0.9790 3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 0.7540 2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -1.4430 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -2.1950 1.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 2.1510 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 1.5040 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 1.6340 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -0.7080 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.1910 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -0.7000 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -0.4340 3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 0.4880 5.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 1.1490 5.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 1.5830 4.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -1.8100 -0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -2.6850 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 1.8190 4.2670 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 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 24 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