MDPI-ZINC01707958 MOE2007 3D CORINA 3.40 0006 02.08.2006 19 20 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3560 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 1.2110 -0.7070 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -0.0450 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 1.3600 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 2.0700 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 3.4740 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 4.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 3.4350 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 2.0740 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 5.8700 0.0090 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -2.0650 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8850 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -0.5990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 4.0280 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 3.9820 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 1.5460 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -2.4550 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 12 19 1 0 0 0 0 M END