MDPI-ZINC03847893 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 4.9050 1.2470 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.0350 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 -0.7340 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 -1.1140 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1960 -0.7940 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 -0.0930 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 0.2950 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 1.0350 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7790 1.4680 2.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 1.1630 1.2600 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 6.5160 -0.9870 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8820 -1.6640 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2320 -1.0940 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 0.1550 1.7700 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