MDPI-ZINC00346985 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 31 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.2010 -0.6880 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0140 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 1.4170 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.0950 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 1.8200 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 0.7610 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -0.3540 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 0.7840 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 -0.4020 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8260 -0.4880 -0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -1.7180 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 -2.7400 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8190 -2.0050 -0.0570 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8170 -4.0750 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1550 -4.4010 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1130 -3.3980 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7400 -2.0760 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9570 -0.8380 -0.1070 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -1.7680 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.1750 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 1.6330 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0720 -4.8570 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4580 -5.4380 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1610 -3.6590 -0.1250 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 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 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 M END