MDPI-ZINC03846370 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.0820 1.7360 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.2030 -0.0720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5680 -0.0860 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -0.4280 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -0.2420 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 0.1050 2.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -0.3230 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -1.1430 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -1.6660 -2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -1.3850 -3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -0.5610 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.0390 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 -1.9610 -4.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -2.7350 -4.5880 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9180 2.1650 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 2.1160 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 2.1230 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -0.0490 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -1.5140 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -1.3910 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -2.3050 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -0.3310 -4.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 0.5820 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -0.4710 1.3060 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2550 -1.6300 -5.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 25 2 0 0 0 0 M CHG 1 14 -1 M CHG 1 24 -1 M END