MDPI-ZINC04293156 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 0.0310 1.9230 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 0.4090 0.0610 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9370 0.0500 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 0.1330 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 0.8500 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.4240 -3.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -0.3670 -3.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -0.3190 1.2470 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8120 0.1090 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -0.0560 2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.3030 3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -2.1330 2.7030 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2760 -1.6150 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -1.8810 1.2190 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1090 -2.3970 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -3.5320 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -4.4300 1.8840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2190 -4.7120 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -3.5980 3.1060 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4620 -3.4890 3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -4.3880 3.8790 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3380 -4.5330 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -5.7360 4.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -6.5850 3.1900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8750 -6.8700 2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -5.8060 2.2890 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0940 -5.6360 3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 -6.9600 3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -7.7760 4.3720 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1230 -8.7840 4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -7.9000 3.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -7.2430 5.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 -6.2930 5.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -6.6280 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -3.6860 5.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -4.2060 5.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -2.5290 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 2.3640 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 2.4410 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 2.1450 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 0.4080 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -0.9400 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 0.6780 -2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 1.9300 -2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 0.8260 3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 0.1270 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -1.0370 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -1.8240 3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 -2.7620 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 -1.5820 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0980 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 -3.0940 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -5.5450 5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -6.3050 4.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 -5.1540 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -4.9710 3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 -7.5580 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 -6.7400 4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -8.3230 4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 -8.6310 2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -6.1970 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -7.6620 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -6.6660 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -2.3810 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 -3.6040 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.1020 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 0.9350 -4.8400 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 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 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 67 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 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 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 37 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 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 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 M CHG 1 67 -1 M END