MDPI-ZINC03844852 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 24 0 0 0 0 0 0 0 0999 V2000 0.1840 1.3190 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -0.1800 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -0.8490 -0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -0.8340 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -0.0630 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -0.6740 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -2.0650 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -2.8360 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -2.2240 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -4.3080 -0.2070 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6610 -4.9880 -0.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7650 -4.8400 -0.2730 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0470 -2.7180 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 -2.6860 -0.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4900 -3.4270 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 1.6160 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 1.7840 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 1.6410 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 1.0110 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -0.0780 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -2.8190 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -3.2820 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4450 -3.0180 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6010 -4.4920 1.1560 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END