MDPI-ZINC00331919 MOE2007 3D CORINA 3.40 0006 02.08.2006 18 18 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.6930 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0810 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7250 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -1.9690 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6500 -1.1490 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0910 -2.3550 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6580 -2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.9890 2.6600 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -3.8040 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -2.8380 -2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -2.0250 -3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -3.6080 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 M CHG 1 7 1 M CHG 1 8 -1 M END