MDPI-ZINC03844653 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 2.0550 2.4540 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 1.7220 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 0.6760 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 0.3560 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 1.0970 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 2.1410 -2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 -0.7660 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 -2.0470 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 -2.6970 0.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5330 -2.0730 1.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 -0.8690 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 0.1400 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 0.2450 3.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8170 1.1900 4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 2.0320 4.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 1.9340 3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 0.9890 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 0.8810 1.5060 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1860 1.5570 1.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 0.1160 0.5580 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3080 -2.5060 -2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2090 -3.2500 -2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 -3.6730 -4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 -3.3600 -4.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -2.6220 -3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 -2.1980 -2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 3.2690 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 1.9710 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 0.1050 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 0.8540 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 2.7160 -3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -0.4120 2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 1.2720 4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8940 2.7700 5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8420 2.5950 3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 -3.4940 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -4.2490 -4.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -3.6930 -5.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -2.3810 -4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -1.6260 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END