MDPI-ZINC03847659 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 1 0 0 0 0 0999 V2000 0.1880 1.6950 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 0.1770 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -0.5290 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -0.6800 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -1.3240 3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -1.7960 3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -1.6330 1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -0.9970 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -0.7830 -0.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -0.3480 -1.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5020 -1.2630 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 0.5380 -2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 0.5140 -2.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -0.2320 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 2.0220 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 2.2580 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 1.9970 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -0.3010 2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -1.4550 4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -2.2950 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -2.0060 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -0.8640 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 0.2100 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.3200 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 0.0970 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 1.1520 -2.7930 O 0 5 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 10 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 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 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 M CHG 1 26 -1 M END