@MOLECULE 1,4-dihydroxy-2(1h)-pyridinone 14 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.4002 0.8603 0.0166 O.3 1 UNL1 -0.2692 2 O 2.9150 -0.2383 0.0126 O.3 1 UNL1 -0.4506 3 O -1.6435 -1.6774 -0.0030 O.2 1 UNL1 -0.5255 4 N -1.0585 0.4968 -0.0077 N.ar 1 UNL1 -0.2417 5 C 1.5778 -0.0713 -0.0023 C.ar 1 UNL1 0.4305 6 C -0.7091 -0.9039 -0.0054 C.ar 1 UNL1 0.6081 7 C 0.6966 -1.1307 -0.0037 C.ar 1 UNL1 -0.5425 8 C -0.1990 1.5449 -0.0060 C.ar 1 UNL1 0.1524 9 C 1.1560 1.2824 -0.0098 C.ar 1 UNL1 -0.4141 10 H 1.0171 -2.1667 0.0026 H 1 UNL1 0.2009 11 H -0.6135 2.5618 0.0002 H 1 UNL1 0.1856 12 H 1.8924 2.0787 -0.0138 H 1 UNL1 0.1985 13 H -2.9065 -0.0272 0.0089 H 1 UNL1 0.3299 14 H 3.1801 -1.1955 0.0185 H 1 UNL1 0.3376 @BOND 1 12 9 1 2 9 8 ar 3 9 5 ar 4 4 8 ar 5 4 6 ar 6 4 1 1 7 8 11 1 8 6 7 ar 9 6 3 2 10 7 5 ar 11 7 10 1 12 5 2 1 13 13 1 1 14 2 14 1