@MOLECULE n-hydroxypyrid-2(1h)-one 13 13 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.7427 1.2492 0.0001 O.3 1 UNL1 -0.2723 2 O -1.5741 -1.4026 0.0009 O.2 1 UNL1 -0.5312 3 N -0.5213 0.5854 -0.0012 N.ar 1 UNL1 -0.2125 4 C -0.4950 -0.8438 0.0002 C.ar 1 UNL1 0.5642 5 C 0.5579 1.4094 0.0002 C.ar 1 UNL1 0.1113 6 C 0.8349 -1.3837 -0.0009 C.ar 1 UNL1 -0.3604 7 C 1.8130 0.8339 0.0006 C.ar 1 UNL1 -0.3468 8 C 1.9385 -0.5758 0.0001 C.ar 1 UNL1 0.0119 9 H 0.3864 2.4923 0.0006 H 1 UNL1 0.1819 10 H 0.9046 -2.4701 -0.0015 H 1 UNL1 0.1921 11 H 2.7000 1.4578 0.0011 H 1 UNL1 0.1759 12 H 2.9415 -1.0109 0.0004 H 1 UNL1 0.1562 13 H -2.4416 0.5046 -0.0029 H 1 UNL1 0.3298 @BOND 1 13 1 1 2 10 6 1 3 3 1 1 4 3 4 ar 5 3 5 ar 6 6 8 ar 7 6 4 ar 8 8 12 1 9 8 7 ar 10 4 2 2 11 5 7 ar 12 5 9 1 13 7 11 1