MDPI-ZINC03846665 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5410 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 -0.7190 -0.3950 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -0.3320 -0.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9590 -0.8840 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 0.9460 -0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 1.9160 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 2.9020 0.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -1.1390 -1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -0.6760 -2.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -0.5560 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -0.2240 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 0.3910 1.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 1.9230 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 1.9130 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -1.6380 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -0.1080 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -2.3730 -1.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -0.6120 2.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -0.3760 3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -2.8520 -2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 M END