MDPI-ZINC03845646 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3900 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 1.1780 -0.6890 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.0170 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.4340 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.1060 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 2.1390 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 1.4540 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 0.0610 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 -0.6560 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -2.4170 -0.0450 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -2.8210 1.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -2.8440 -0.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 3.6460 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 3.7500 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9090 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 1.1770 -1.7690 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 3.1860 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 1.9990 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 -0.4580 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 4.0110 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 4.0130 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9400 -2.8280 -0.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 4.1290 1.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 5.1380 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 -3.7850 -0.8490 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 18 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 24 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 25 1 0 0 0 0 15 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 M END