MDPI-ZINC03844928 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 1 0 0 0 0 0999 V2000 -0.0560 1.4380 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 0.0480 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -0.6300 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 0.0620 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 1.4470 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 2.1430 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.6460 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 4.1750 -0.8760 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5040 5.2410 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 3.4850 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 4.0720 -0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 2.1520 -0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 4.1020 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 4.7050 -2.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -2.0220 0.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.7790 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -4.0100 0.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -2.0350 0.9700 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0430 -2.6870 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -0.7360 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -1.7850 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -1.2030 2.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 1.9730 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 -0.4720 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 4.0070 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 4.0190 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 1.6770 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -2.5330 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -0.1150 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -0.9700 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 3.5080 -3.0510 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4260 -2.2170 3.2200 O 0 5 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 32 1 0 0 0 0 M CHG 1 31 -1 M CHG 1 32 -1 M END