MDPI-ZINC03845894 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.2150 0.9340 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -0.5340 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -1.4210 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -2.7710 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -3.2430 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.3540 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.9920 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -2.8500 -2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -3.6840 -2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -3.9770 -1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -4.3030 -4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -4.1560 -4.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -2.4260 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 1.4300 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 1.3750 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 1.0580 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -1.0570 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -3.4560 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -4.2970 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -0.3000 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -3.2510 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -4.9810 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -3.9100 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -3.1820 -3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -2.3170 -4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -1.4740 -3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -5.0370 -4.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -5.4060 -5.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 27 28 1 0 0 0 0 M END