MDPI-ZINC03845418 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 61 0 0 1 0 0 0 0 0999 V2000 0.4490 0.8880 -1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -0.3180 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -0.8060 -0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -1.8690 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -2.3750 0.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -2.4310 -0.2370 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2980 -2.1570 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -3.9560 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -4.5280 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -4.7720 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8740 -5.2970 -1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 -5.5780 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 -5.3350 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -4.8140 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 -1.8620 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 0.1700 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8230 1.6770 1.5640 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8320 2.1230 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 2.3020 2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 3.8000 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 4.4050 1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6610 5.7800 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 6.5490 2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 5.9450 2.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 4.5710 3.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 1.9300 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 0.9990 -0.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8350 3.1880 -0.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5810 3.3560 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7580 4.8480 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 1.2540 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 0.5920 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.6780 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -1.1080 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -0.0220 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -4.3530 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -4.2300 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -4.5520 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -5.4870 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6840 -5.9880 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9100 -5.5540 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 -4.6270 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 -2.3350 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -2.0600 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 -0.0140 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 -0.2890 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5900 1.9220 2.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 2.0440 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4310 3.8040 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4740 6.2520 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6630 7.6230 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 6.5460 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 4.0980 3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0370 2.8880 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5600 2.8880 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3180 4.9740 -2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3020 5.3160 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 5.3170 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -0.4120 0.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 0.0420 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 59 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 59 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 59 60 1 0 0 0 0 M END