MDPI-ZINC03845184 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.1820 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 2.4460 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 1.9200 -2.6560 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 3.1910 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 3.5900 -0.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -2.1860 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.6810 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -1.6370 -2.6540 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -4.1330 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -4.9260 -0.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 3.1300 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 1.6010 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -2.5390 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -2.5640 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 3.4260 -2.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -4.5760 -2.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -5.5340 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5330 3.9180 -3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 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 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 M END