MDPI-ZINC03844013 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 68 0 0 1 0 0 0 0 0999 V2000 0.0220 1.3360 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.1400 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5210 -0.2660 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -0.9780 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -0.6060 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -1.4450 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -1.0970 -2.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -0.5970 0.1600 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0460 -0.3490 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -2.1160 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -2.2790 1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -0.9430 1.6750 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8800 -0.9480 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 0.0510 1.4200 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5890 1.4500 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 1.8340 2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 0.8000 3.4000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7880 0.7510 3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -0.5900 2.8560 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1170 -0.5700 2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -1.5720 4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -1.2650 4.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 -0.0210 4.7570 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2800 -0.1870 3.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 1.1650 4.4900 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5630 2.3940 4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5530 2.7100 5.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4460 1.5100 5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6030 0.2800 5.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 1.4570 5.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -0.0030 2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 1.6250 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 1.4860 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 1.9460 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -2.0360 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.7830 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 0.4520 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -0.8010 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -2.5030 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -1.2500 -3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -1.5910 -2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -2.6530 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -2.4900 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 -3.1050 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -2.4330 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 2.1600 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 1.5460 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 2.8010 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 1.9650 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -2.4280 4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -1.8570 5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 3.2510 3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 2.2140 3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 3.0130 6.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1870 3.5470 4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1010 1.7480 6.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0590 1.2860 4.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2740 -0.5760 6.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 0.4490 6.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 2.2840 5.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 1.7250 6.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 0.5710 6.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 0.6660 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 0.3080 3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -1.0220 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 M END