@MOLECULE 6-ethynylpyrimidine-2,4-diol 14 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.4670 -2.3507 0.0004 O.2 1 UNL1 -0.4897 2 O 1.8608 2.1751 0.0011 O.2 1 UNL1 -0.4629 3 N -0.4512 -1.1280 0.0002 N.ar 1 UNL1 -0.5384 4 N 1.6901 -0.0674 -0.0008 N.ar 1 UNL1 -0.6219 5 C -1.0779 0.1150 -0.0002 C.ar 1 UNL1 0.3422 6 C -0.3457 1.2618 -0.0009 C.ar 1 UNL1 -0.4186 7 C 0.9587 -1.2517 -0.0002 C.ar 1 UNL1 0.7014 8 C 1.1052 1.2335 -0.0003 C.ar 1 UNL1 0.6198 9 C -2.4927 0.1093 0.0001 C.1 1 UNL1 -0.1681 10 C -3.7040 0.1366 0.0003 C.1 1 UNL1 -0.0588 11 H -0.9959 -1.9866 0.0005 H 1 UNL1 0.3427 12 H -0.8064 2.2477 -0.0016 H 1 UNL1 0.2086 13 H 2.7108 -0.1434 0.0002 H 1 UNL1 0.3484 14 H -4.7368 0.1620 0.0006 H 1 UNL1 0.1953 @BOND 1 12 6 1 2 6 8 ar 3 6 5 ar 4 4 8 ar 5 4 7 ar 6 4 13 1 7 8 2 2 8 5 9 1 9 5 3 ar 10 7 3 ar 11 7 1 2 12 9 10 3 13 3 11 1 14 10 14 1