MDPI-ZINC01763321 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3550 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -0.7070 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 1.3690 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 2.0730 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 3.4770 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 4.1450 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 3.4490 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 2.0890 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 5.5040 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -2.1040 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8830 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -0.5850 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 4.0270 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 3.9980 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 1.5640 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 5.8920 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -2.5820 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -2.5960 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 16 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 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END