MDPI-ZINC01558172 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 0 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 0.1970 -4.1740 0.2470 C 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 0 0 0 0 0 0 0 0 0 0 2.2570 -3.4570 6.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -3.7770 7.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -3.5190 7.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -4.4540 8.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -4.7010 9.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -5.8840 9.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -6.1150 10.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -5.1600 11.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -3.9690 11.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -3.7460 10.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -3.0280 12.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -1.8310 12.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -0.9130 13.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -0.9940 15.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -0.1530 16.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 0.7700 16.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 0.8520 14.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 0.0130 13.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -5.3850 12.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -6.6290 12.9330 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 -0.3000 -4.6480 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -4.4700 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -4.4890 1.1720 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 1.1680 -1.8470 5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -3.4370 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -3.6630 6.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -5.4050 8.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 -3.8160 9.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -6.6290 9.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -7.0390 11.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -2.8250 10.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -2.0790 12.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -1.3330 11.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.7150 15.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -0.2160 17.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 1.4270 16.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 1.5720 14.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 0.0790 12.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 -6.6800 13.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 -6.7040 12.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -7.4510 12.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END