MDPI-ZINC03845362 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0370 1.4910 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.0380 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -0.6100 1.1700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3640 -0.4360 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 0.0200 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 0.0030 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -0.6530 -1.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0150 -2.1000 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -3.2020 -1.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -2.0750 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -4.0530 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -3.2000 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -3.9630 1.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -3.4500 2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -4.5200 3.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -4.7470 4.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -3.9160 4.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -2.8530 3.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -2.6110 2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.4460 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -0.6240 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 1.8610 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 1.8340 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 1.8690 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 1.0420 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -0.5860 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 1.0170 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -0.6110 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -5.1700 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -5.5760 4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -4.0980 4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -2.2090 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -1.7780 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 0.6210 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -0.9150 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -0.8970 -2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -0.3150 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -1.7120 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -0.2620 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END