MDPI-ZINC03844123 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.5740 1.6610 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 0.1450 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -0.3450 1.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4280 0.1440 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -0.0760 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -0.7680 2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -0.6000 4.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 0.2660 5.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 0.9690 4.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 0.8250 3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 1.6730 3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 1.6980 4.0690 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7410 -1.8640 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -2.5570 0.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 2.1150 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 1.9390 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 2.0900 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -0.2700 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.2210 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -1.4670 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -1.1550 4.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 0.3980 6.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 1.6480 5.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 2.3520 2.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -2.2500 1.3780 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