@MOLECULE (4e)-4-(hydroxyimino)-1(4h)-quinolinol 21 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.7701 -2.4503 -0.1427 O.3 1 UNL1 -0.3253 2 O 3.6472 0.3965 0.0775 O.2 1 UNL1 -0.3158 3 N -0.7282 -1.6277 0.3456 N.ar 1 UNL1 -0.1839 4 N 2.4013 0.9918 0.1238 N.2 1 UNL1 -0.2078 5 C 0.0462 0.6579 -0.0066 C.ar 1 UNL1 -0.0918 6 C -1.0235 -0.2550 0.1015 C.ar 1 UNL1 0.1511 7 C 1.4264 0.1438 -0.0335 C.ar 1 UNL1 0.1381 8 C -0.2375 2.0226 -0.1027 C.ar 1 UNL1 -0.0814 9 C -2.3490 0.1957 0.0866 C.ar 1 UNL1 -0.2046 10 C 1.5703 -1.2968 -0.2415 C.ar 1 UNL1 -0.2721 11 C 0.5090 -2.1194 -0.1377 C.ar 1 UNL1 0.0410 12 C -1.5541 2.4715 -0.1036 C.ar 1 UNL1 -0.1891 13 C -2.6051 1.5584 -0.0136 C.ar 1 UNL1 -0.0978 14 H 0.5868 2.7377 -0.1777 H 1 UNL1 0.1762 15 H -3.1702 -0.5159 0.1445 H 1 UNL1 0.1696 16 H 2.5673 -1.6668 -0.4781 H 1 UNL1 0.1901 17 H 0.5440 -3.1984 -0.3157 H 1 UNL1 0.1800 18 H -1.7638 3.5367 -0.1780 H 1 UNL1 0.1586 19 H -3.6352 1.9144 -0.0239 H 1 UNL1 0.1529 20 H -2.1798 -2.8108 0.6999 H 1 UNL1 0.3026 21 H 4.2607 1.1810 0.2154 H 1 UNL1 0.3096 @BOND 1 16 10 1 2 17 11 1 3 10 11 ar 4 10 7 ar 5 18 12 1 6 14 8 1 7 1 3 1 8 1 20 1 9 11 3 ar 10 12 8 ar 11 12 13 ar 12 8 5 ar 13 7 5 ar 14 7 4 2 15 19 13 1 16 13 9 ar 17 5 6 ar 18 2 4 1 19 2 21 1 20 9 6 ar 21 9 15 1 22 6 3 ar