MDPI-ZINC03845223 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3600 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 1.2220 -0.6920 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 0.0260 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 1.4110 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 2.0840 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 3.5550 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 4.2050 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 5.6690 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 6.2980 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -0.6510 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -2.1600 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -2.8480 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -4.2660 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -4.8630 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.8840 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 1.9690 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 4.1140 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 3.6460 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 -1.6210 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 -0.1540 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 -2.6890 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -2.3190 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 6.3190 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -4.9540 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -5.9140 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 7.2860 0.0530 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 16 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 M END