MDPI-ZINC04292562 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.3710 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0120 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.6860 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0250 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4130 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0820 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 -0.6560 -0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 -0.0660 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0690 1.1300 -0.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -1.1620 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 -1.0620 -0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 0.1000 -0.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0800 0.2060 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8670 -0.9360 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2430 -0.8280 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8500 0.4140 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0860 1.5580 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6920 1.4660 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8690 2.6840 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6600 2.6100 -0.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 -2.3930 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -2.0430 -0.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5430 -3.8040 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -4.7030 -0.1780 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3220 -3.9870 -1.3110 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -4.0300 0.9730 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.8960 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5640 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -1.7660 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9690 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.1620 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1480 0.9010 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4020 -1.9070 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8510 -1.7180 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9280 0.4870 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5640 2.5230 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4570 3.8790 -0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8760 4.6500 -0.5610 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 22 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 37 38 1 0 0 0 0 M END