MDPI-ZINC03847894 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 29 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2060 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0310 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4210 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -0.8270 -0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 0.5180 -0.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9710 1.1930 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 -0.0460 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 -0.8130 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 -1.1850 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1860 -0.7880 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5440 -0.0180 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 0.3610 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 1.1610 -1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 1.6680 -2.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 1.2500 -1.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7600 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.9770 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6850 -1.1260 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 -1.7880 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2140 -1.0810 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0670 0.2910 -2.2070 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 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M END