@MOLECULE [4-[5-[(e)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-2-furyl]phenyl]azinic acid 23 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.8951 -0.0005 -4.8824 O.2 1 UNL1 -0.0916 2 N -1.7891 -0.1752 -4.5056 N.2 1 UNL1 0.0995 3 O 3.9294 -0.1653 -2.6589 O.2 1 UNL1 -0.4473 4 C -1.4908 0.0653 -3.1022 C.2 1 UNL1 -0.0492 5 C 4.2137 0.8566 -3.0767 C.2 1 UNL1 0.4470 6 C -0.1604 0.4962 -2.8554 C.2 1 UNL1 -0.1425 7 C 0.8366 0.4647 -1.9302 C.2 1 UNL1 -0.1670 8 C 1.1947 -0.0231 -0.7092 C.1 1 UNL1 0.0027 9 O -3.4132 -1.5207 -0.3053 O.2 1 UNL1 -0.2515 10 C 1.4936 -0.5173 0.3626 C.1 1 UNL1 -0.0390 11 C -5.7049 16.2154 4.2162 C.3 2 UNL2 -0.0000 12 N 1.8988 -1.2567 1.4638 N.pl3 1 UNL1 0.2607 13 N 0.8001 -1.8648 2.0391 N.1 1 UNL1 -0.5096 14 C 3.2589 0.0909 3.1480 C.1 1 UNL1 0.3774 15 N 2.5442 -0.4632 2.3848 N.1 1 UNL1 -0.4937 16 C 7.0510 -0.2626 3.6285 C.2 3 UNL3 0.4525 17 C -0.0603 -2.5598 2.4603 C.1 1 UNL1 0.3787 18 O 8.0533 -0.0426 4.1248 O.2 3 UNL3 -0.4525 19 O -10.3922 -6.2342 5.6912 O.3 3 UNL3 0.0000 20 C -4.0382 -0.4056 0.0272 C.3 1 UNL1 0.4934 21 C -3.0969 -0.3897 -1.1102 C.2 1 UNL1 -0.2225 22 C -2.3212 -0.1880 -2.1069 C.1 1 UNL1 0.0668 23 C 1.0805 1.1491 -3.1869 C.3 1 UNL1 0.2877 @BOND 1 1 2 2 2 2 4 1 3 23 6 1 4 23 7 1 5 4 6 1 6 4 22 2 7 5 3 2 8 6 7 2 9 22 21 2 10 7 8 1 11 21 9 1 12 21 20 1 13 8 10 3 14 9 20 1 15 10 12 1 16 12 13 1 17 12 15 1 18 13 17 3 19 15 14 3 20 16 18 2