MDPI-ZINC04265587 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0350 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4330 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0950 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 -0.6280 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 0.0350 -0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8950 -0.6260 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9160 -2.0300 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 -2.7240 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3220 -2.0590 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 -2.7750 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 -2.1020 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7470 -0.7100 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5940 0.0180 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3590 -0.6430 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 0.0990 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 1.4570 -0.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 2.0970 -0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 3.4620 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 4.1590 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 5.5380 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9550 6.2320 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1590 5.5490 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1740 4.1700 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 7.9940 -0.0520 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1890 8.4010 -0.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 8.3900 -0.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2260 -3.0060 -0.1280 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2170 -2.1420 0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9340 -4.2870 0.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.7610 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 1.9930 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1750 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 -2.5700 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0560 -3.8040 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5200 -3.8550 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6990 -0.2000 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6330 1.0970 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 3.6190 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 6.0780 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0890 6.0980 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1140 3.6390 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 8.4440 1.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5980 -3.2310 -1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4220 -3.7230 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 9.4040 1.5160 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 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 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 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 40 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 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 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 48 1 0 0 0 0 47 50 1 0 0 0 0 48 49 1 0 0 0 0 M END