MDPI-ZINC00056687 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 0.2980 1.5440 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 0.1200 -0.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -0.6360 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -0.1200 -1.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -2.0920 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -2.8580 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -4.2430 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -5.0330 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -6.3740 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -6.9810 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -6.2490 -1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -4.8600 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -4.0920 -2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.7280 -2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -1.9160 -3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -0.7060 -3.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -2.5180 -4.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -1.6570 -5.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 1.7040 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 1.9630 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 2.0350 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -2.3920 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -4.5770 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -6.9760 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -8.0460 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -6.7330 -2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -4.5670 -3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.9770 -5.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -1.0800 -5.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -2.2670 -6.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 M END