MDPI-ZINC03844355 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 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 0.0230 -0.6880 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.0380 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7200 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -3.9380 -0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.0100 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6640 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0370 -2.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.7040 -2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.8090 2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -3.1970 2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -3.9670 4.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -4.1840 4.7130 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 0.0250 -0.1510 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -2.8900 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -2.0860 -3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -3.6530 -2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -3.7100 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -2.1880 3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -2.2950 2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -3.8170 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -4.4130 4.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -4.9020 5.5260 H 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 8 1 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 26 27 1 0 0 0 0 M END