MDPI-ZINC01723442 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 0 0 0 0 0 0999 V2000 -0.1200 1.0120 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.3670 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -0.9020 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -0.0910 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 1.3050 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 1.8490 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 2.1150 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 1.5410 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 0.1470 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 -0.4730 -0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 2.3980 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0660 1.7880 -0.1390 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1200 1.4350 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -1.0290 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -1.9820 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 2.9270 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 3.2000 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 0.1880 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 -1.4720 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.6550 -0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 3.6580 -0.0890 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 13 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 M CHG 1 12 -1 M END