MDPI-ZINC04261435 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -2.2920 0.4860 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 0.2110 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 0.7610 0.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 1.5540 1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.8500 2.9660 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1310 0.7460 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 1.6780 4.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 1.0830 5.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -0.4440 3.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -0.6780 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -0.1520 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -1.0840 -3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -0.6090 -4.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -1.4910 -5.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -2.8560 -5.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -3.3460 -4.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -2.4660 -3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -2.9490 -2.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -2.1280 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -2.5960 -0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -4.3310 -2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -5.0400 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -6.4030 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -7.0620 -1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -6.3590 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -4.9950 -2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 1.1810 -2.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 1.5620 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 0.0090 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 0.0860 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 2.5410 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 1.6580 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 2.6930 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 1.7080 4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 1.5560 6.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -0.4280 3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 0.4520 -4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -1.1230 -6.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -3.5420 -6.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -4.4100 -4.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 -4.5270 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -6.9550 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -8.1280 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -6.8760 -3.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -4.4450 -3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 1.6970 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 27 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 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 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 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END