MDPI-ZINC03844124 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.1270 1.4050 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -0.0990 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -0.4560 1.4700 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4790 0.1130 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.9520 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -2.8660 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.2400 1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -4.7360 1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -3.8570 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -2.4660 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -1.6160 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 -1.8800 1.4560 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3300 -0.0400 2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -0.0020 2.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 1.8450 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.6130 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 1.9070 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -0.5150 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -0.5480 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -2.5050 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -4.9140 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -5.8010 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -4.2530 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -0.7480 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 0.2320 3.7430 O 0 5 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 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 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 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 24 2 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 M CHG 1 12 -1 M CHG 1 25 -1 M END