MDPI-ZINC03844583 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 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 4.7050 0.0350 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8950 -0.6260 -0.0560 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 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3220 -2.0590 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5290 -2.7750 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 -2.1020 -0.1100 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 -0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 3.4600 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 4.1570 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 5.5340 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9550 6.2320 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 5.5450 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 4.1680 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 7.5900 -0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2260 -3.0060 -0.1290 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2170 -2.1420 0.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9340 -4.2870 0.4130 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 1.9920 -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 -2.5710 -0.0560 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 9.5190 -3.8550 -0.1060 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 9.6320 1.0970 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 3.6160 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8170 6.0720 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0940 6.0920 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 3.6350 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 7.9820 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5980 -3.2310 -1.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4210 -3.7230 -1.7120 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 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 34 1 0 0 0 0 6 35 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 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 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 38 1 0 0 0 0 14 15 1 0 0 0 0 14 28 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 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 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 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 46 47 1 0 0 0 0 M END