MDPI-ZINC03847376 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1370 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4900 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8700 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.6300 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0080 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.7540 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -2.5480 4.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -2.7980 5.4390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7380 -3.3620 5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.5940 6.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 -4.6490 6.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -5.4110 7.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -5.1170 8.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -4.0640 8.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -3.3020 7.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -2.1590 8.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -1.7210 7.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -5.8610 9.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -5.5000 10.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 -6.4430 6.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -6.6860 5.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2150 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1000 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.7080 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -2.9610 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -3.4980 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -1.9090 4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -4.8760 5.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -3.8340 9.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -2.4780 9.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -1.3200 8.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -2.4970 6.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -0.7930 7.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -4.4750 10.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 -5.5780 11.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 -6.1720 11.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 -6.9060 4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 -5.8020 4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -7.5340 5.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -1.5120 5.9570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -0.8960 6.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 46 47 1 0 0 0 0 M END