@MOLECULE 1-hydroxy-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid 16 16 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.1517 -0.7566 0.0378 O.3 1 UNL1 -0.2646 2 O -2.2472 1.7335 -0.1574 O.2 1 UNL1 -0.5113 3 O 3.0089 -0.9305 -0.3792 O.3 1 UNL1 -0.5439 4 O 2.9502 1.1824 0.3290 O.2 1 UNL1 -0.4675 5 N -1.7945 -0.4621 0.0333 N.ar 1 UNL1 -0.2022 6 C 0.8848 -0.0388 0.0355 C.ar 1 UNL1 0.0299 7 C 0.0596 1.0481 -0.0557 C.ar 1 UNL1 -0.2955 8 C 0.3767 -1.3545 0.1310 C.ar 1 UNL1 -0.2991 9 C -1.3717 0.8970 -0.0702 C.ar 1 UNL1 0.5489 10 C -0.9894 -1.5529 0.1304 C.ar 1 UNL1 0.1003 11 C 2.3517 0.1833 0.0315 C.2 1 UNL1 0.6213 12 H 0.4378 2.0727 -0.1179 H 1 UNL1 0.2116 13 H 1.0578 -2.2020 0.1946 H 1 UNL1 0.1972 14 H -1.4578 -2.5421 0.2013 H 1 UNL1 0.1873 15 H -3.6168 0.1492 -0.0475 H 1 UNL1 0.3300 16 H 3.9924 -0.8164 -0.4100 H 1 UNL1 0.3576 @BOND 1 16 3 1 2 3 11 1 3 2 9 2 4 12 7 1 5 9 7 ar 6 9 5 ar 7 7 6 ar 8 15 1 1 9 11 6 1 10 11 4 2 11 5 1 1 12 5 10 ar 13 6 8 ar 14 10 8 ar 15 10 14 1 16 8 13 1