MDPI-ZINC01708314 MOE2007 3D CORINA 3.40 0006 02.08.2006 18 18 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6810 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.0880 2.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1520 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7690 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0060 -1.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.4400 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6650 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0280 -2.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.9420 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.1560 2.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -3.8460 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.3200 3.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -2.8820 4.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 M END