MDPI-ZINC04293162 MOE2007 3D CORINA 3.40 0006 02.08.2006 79 82 0 0 1 0 0 0 0 0999 V2000 0.1140 1.4720 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.0560 -0.1240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9430 -0.4040 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -0.6380 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.2840 -2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -0.8560 -3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 -1.4840 -3.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -0.6700 -5.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -1.2500 -6.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -0.5150 1.1590 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8190 -0.1640 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.0080 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -1.2420 3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.2810 2.8000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6430 -2.0580 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -2.0360 1.2680 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9630 -2.7820 0.7540 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1060 -2.5740 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -4.2800 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -4.6130 2.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3320 -4.4950 3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -3.7280 3.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2600 -3.9060 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -4.0740 2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -5.1850 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -6.2560 1.6000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1450 -6.1680 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -6.0750 2.5100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4610 -6.3380 3.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -7.7460 4.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -7.8620 3.0950 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7560 -8.8590 3.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -7.6420 1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -6.8680 3.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -7.2340 4.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -8.3460 4.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 -6.2560 4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -7.0260 2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 -2.3800 1.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -2.4200 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -2.7790 -0.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5830 -2.0170 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -2.5710 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 1.8190 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 1.7980 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 1.8860 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.2220 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -1.7220 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -0.7000 -2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 0.8000 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -2.3300 -6.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -1.0250 -7.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.8300 -6.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 0.6660 2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 0.5420 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -1.0340 4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -1.5760 2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -4.5730 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -4.8460 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -3.3580 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -5.3460 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -6.2470 4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -5.6070 4.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -8.4770 3.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -7.9320 5.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -7.7370 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -8.3970 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -5.3120 4.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 -6.6610 4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -6.0860 5.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -6.8830 2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -8.0560 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -6.8160 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -2.8910 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2880 -1.6020 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -1.2670 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -2.1580 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -3.6580 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -2.2780 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 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0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 M END