@MOLECULE 6-azauracil 11 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.2362 -1.0057 -0.0000 O.2 1 UNL1 -0.4601 2 O 2.3229 -0.9203 0.0001 O.2 1 UNL1 -0.4262 3 N 0.0639 -1.0309 -0.0002 N.ar 1 UNL1 -0.6176 4 N -1.1598 1.0127 0.0001 N.ar 1 UNL1 -0.4113 5 N -0.0442 1.7524 0.0000 N.ar 1 UNL1 -0.0378 6 C -1.1887 -0.4063 0.0000 C.ar 1 UNL1 0.6619 7 C 1.2848 -0.3118 0.0001 C.ar 1 UNL1 0.5659 8 C 1.1117 1.1555 -0.0002 C.ar 1 UNL1 -0.2091 9 H 0.0874 -2.0543 0.0000 H 1 UNL1 0.3500 10 H -2.0335 1.5450 0.0002 H 1 UNL1 0.3617 11 H 2.0206 1.7701 -0.0002 H 1 UNL1 0.2226 @BOND 1 11 8 1 2 8 5 ar 3 8 7 ar 4 3 9 1 5 3 6 ar 6 3 7 ar 7 1 6 2 8 5 4 ar 9 6 4 ar 10 7 2 2 11 4 10 1