MDPI-ZINC04293047 MOE2007 3D CORINA 3.40 0006 02.08.2006 79 82 0 0 1 0 0 0 0 0999 V2000 -0.5910 1.4600 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 0.0380 0.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8980 -0.6530 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -0.0240 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 0.2920 -2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.2320 -3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -0.0360 -3.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 0.4760 -4.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 0.4000 -5.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -0.3530 1.3300 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7210 0.1980 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -0.1540 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -1.4720 3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -2.1040 2.7940 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2600 -1.4740 3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.8720 1.3010 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2170 -2.3100 0.4340 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8830 -2.3330 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -3.7080 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -4.3820 1.8650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8860 -4.5950 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -3.5190 3.1130 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7130 -3.4830 3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -4.2000 4.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -5.4900 4.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -6.4220 3.1040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5190 -6.6990 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -5.7580 2.3020 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6570 -5.5880 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -6.9340 3.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -7.5190 4.5990 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3210 -8.4890 4.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -7.7140 3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -6.6310 5.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -6.8330 6.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 -7.7220 6.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -5.9500 8.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -6.6080 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -1.3500 0.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 -1.2120 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -1.8690 -1.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 -0.2390 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -2.5320 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 2.1510 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 1.7390 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 1.5040 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 0.7070 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.0220 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -0.4380 -2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 1.2910 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -0.6020 -6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 0.6190 -6.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 1.1280 -5.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 0.6820 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 0.0190 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -1.2390 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -2.1000 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 -4.3170 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -3.6220 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -3.6090 4.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -5.9140 4.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -5.1650 2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 -4.9220 4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 -7.6240 2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -6.7760 4.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -8.0740 4.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -8.4730 3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -5.2110 7.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -6.5590 8.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -5.4400 8.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -6.1040 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -7.5820 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -6.7410 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1410 -0.7440 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 0.1390 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 0.5920 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -2.2810 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -3.6140 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -2.1720 1.4880 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 0 2 4 1 0 0 0 0 2 10 1 0 0 0 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