MDPI-ZINC03845670 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 0 0 0 0 0 0999 V2000 -0.1840 1.1020 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.1790 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -0.7480 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -0.0360 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 1.2510 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 1.8130 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 -0.6410 0.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 -0.1720 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 -1.0360 -0.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 -2.1010 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -1.8900 0.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 -3.3550 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2170 -4.2850 1.3060 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1250 0.9900 -0.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 1.5440 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -0.7380 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -1.7510 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 1.8460 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 2.8120 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 0.8930 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 -3.4300 0.4860 O 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 15 1 0 0 0 0 2 3 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 14 20 1 0 0 0 0 M CHG 1 13 -1 M END