MDPI-ZINC01723442 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 23 0 0 0 0 0 0 0 0999 V2000 -0.0640 1.0200 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.3640 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -0.9250 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -0.1020 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.3060 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 1.8500 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 2.1340 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 1.5300 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 0.1170 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 -0.4830 -0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 2.3510 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 1.8210 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 1.4400 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -1.0010 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -1.9990 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 2.9210 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 3.2100 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 0.0580 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0980 -1.4470 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -0.6350 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 3.6910 -0.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6560 4.1880 -0.2220 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 13 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 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 20 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 21 22 1 0 0 0 0 M END