@MOLECULE 4-pyrimidinol 11 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.2259 0.0239 0.0000 O.2 1 UNL1 -0.4811 2 N -0.3024 -1.1458 -0.0000 N.ar 1 UNL1 -0.5529 3 N 1.8088 -0.0683 0.0000 N.ar 1 UNL1 -0.4732 4 C -1.0200 0.0997 0.0000 C.ar 1 UNL1 0.5877 5 C -0.1836 1.2797 -0.0000 C.ar 1 UNL1 -0.4011 6 C 1.0782 -1.1640 -0.0000 C.ar 1 UNL1 0.2794 7 C 1.1740 1.1596 0.0000 C.ar 1 UNL1 0.1473 8 H -0.8459 -2.0051 0.0001 H 1 UNL1 0.3290 9 H -0.6969 2.2380 -0.0001 H 1 UNL1 0.1987 10 H 1.5862 -2.1430 -0.0000 H 1 UNL1 0.1873 11 H 1.8599 2.0172 0.0000 H 1 UNL1 0.1789 @BOND 1 9 5 1 2 2 4 ar 3 2 6 ar 4 2 8 1 5 3 6 ar 6 3 7 ar 7 4 5 ar 8 4 1 2 9 5 7 ar 10 6 10 1 11 7 11 1