@MOLECULE pyrido[4,3-d]pyrimidin-4(1h)-one 16 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.7002 2.0478 -0.0014 O.2 1 UNL1 -0.3976 2 N -0.6508 -1.8472 -0.0012 N.ar 1 UNL1 -0.5182 3 N -2.3200 -0.1475 0.0019 N.ar 1 UNL1 -0.5134 4 N 2.3966 1.0261 0.0014 N.ar 1 UNL1 -0.4130 5 C 0.3793 -0.9093 -0.0013 C.ar 1 UNL1 0.2949 6 C 0.0579 0.4619 -0.0006 C.ar 1 UNL1 -0.3678 7 C 1.7313 -1.2997 -0.0010 C.ar 1 UNL1 -0.3702 8 C -1.3506 0.8961 -0.0003 C.ar 1 UNL1 0.5868 9 C 1.1092 1.3955 0.0002 C.ar 1 UNL1 0.1738 10 C -1.9833 -1.3937 0.0015 C.ar 1 UNL1 0.3083 11 C 2.6964 -0.2949 0.0008 C.ar 1 UNL1 0.1424 12 H -0.4309 -2.8336 -0.0020 H 1 UNL1 0.3271 13 H 2.0181 -2.3446 -0.0020 H 1 UNL1 0.1776 14 H 0.9022 2.4792 0.0001 H 1 UNL1 0.1994 15 H -2.7546 -2.1848 0.0033 H 1 UNL1 0.1928 16 H 3.7705 -0.5291 0.0021 H 1 UNL1 0.1772 @BOND 1 12 2 1 2 13 7 1 3 1 8 2 4 5 2 ar 5 5 7 ar 6 5 6 ar 7 2 10 ar 8 7 11 ar 9 6 8 ar 10 6 9 ar 11 8 3 ar 12 14 9 1 13 9 4 ar 14 11 4 ar 15 11 16 1 16 10 3 ar 17 10 15 1