MDPI-ZINC04280948 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.6990 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0780 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7730 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0650 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2500 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -5.0410 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -6.3700 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -6.3330 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -5.0420 1.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -7.4980 1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -7.3310 2.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -8.4560 3.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1600 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6200 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.5960 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1380 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -4.7070 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -7.2540 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -8.4950 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -8.2330 4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 15 26 1 0 0 0 0 M END