MDPI-ZINC04265200 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 0.1150 0.3890 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 0.0210 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 0.2750 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 0.8740 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 0.4350 2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 1.0280 3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 2.0810 3.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9390 2.5280 2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 1.9280 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 3.5480 2.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 2.7180 4.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 3.6320 4.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -0.6210 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 0.1500 -2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -0.5430 -3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 0.1820 -4.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -0.4800 -5.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.8670 -5.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -2.6000 -4.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -1.9480 -3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.6760 -2.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -2.0800 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -2.7610 -0.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -4.0740 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -4.7260 -3.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -6.1050 -3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -6.8360 -2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -6.1900 -2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -4.8110 -2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 1.4980 -2.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -0.4210 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 0.5540 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 1.3000 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -0.3770 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 0.6840 4.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 2.2700 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 4.4230 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 1.2610 -4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 0.0800 -6.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -2.3760 -6.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -3.6780 -4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -4.1550 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -6.6120 -3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -7.9140 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -6.7640 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -4.3070 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 1.8510 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 2.2880 5.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 2.7370 6.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 48 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 48 49 1 0 0 0 0 M END