MDPI-ZINC03848170 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 1 0 0 0 0 0999 V2000 -0.0890 1.4380 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.0840 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7580 -0.7540 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -1.1760 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -0.6290 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -0.7160 -2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -1.3830 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -1.9400 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -1.8390 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -0.6860 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -1.1000 0.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 1.8830 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 1.8460 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 1.7780 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -0.0530 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -1.5750 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -0.2870 -2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 -1.4780 -3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 -2.4590 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -2.2710 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -0.7020 -1.4930 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 3 16 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 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 M CHG 1 21 -1 M END