@MOLECULE phthalazine-1,4-diol 18 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.0529 2.6388 0.0372 O.2 1 UNL1 -0.4755 2 O -1.0529 -2.6388 -0.0366 O.2 1 UNL1 -0.4755 3 N -2.1241 0.6870 -0.1459 N.ar 1 UNL1 -0.4156 4 N -2.1242 -0.6869 0.1456 N.ar 1 UNL1 -0.4156 5 C 0.3406 0.6988 -0.0062 C.ar 1 UNL1 -0.0980 6 C 0.3405 -0.6988 0.0059 C.ar 1 UNL1 -0.0980 7 C -0.9386 1.4321 0.0008 C.ar 1 UNL1 0.5501 8 C -0.9387 -1.4321 -0.0008 C.ar 1 UNL1 0.5500 9 C 1.5439 1.4015 -0.0096 C.ar 1 UNL1 -0.0965 10 C 1.5438 -1.4015 0.0095 C.ar 1 UNL1 -0.0965 11 C 2.7476 0.6973 -0.0047 C.ar 1 UNL1 -0.1304 12 C 2.7475 -0.6975 0.0048 C.ar 1 UNL1 -0.1304 13 H 1.5332 2.4953 -0.0175 H 1 UNL1 0.1811 14 H 1.5331 -2.4953 0.0166 H 1 UNL1 0.1811 15 H -3.0056 1.1404 0.1176 H 1 UNL1 0.3253 16 H -3.0057 -1.1402 -0.1184 H 1 UNL1 0.3253 17 H 3.6925 1.2413 -0.0086 H 1 UNL1 0.1596 18 H 3.6924 -1.2414 0.0089 H 1 UNL1 0.1596 @BOND 1 3 7 ar 2 3 15 1 3 3 4 ar 4 16 4 1 5 2 8 2 6 13 9 1 7 9 5 ar 8 9 11 ar 9 17 11 1 10 5 7 ar 11 5 6 ar 12 11 12 ar 13 8 6 ar 14 8 4 ar 15 7 1 2 16 12 18 1 17 12 10 ar 18 6 10 ar 19 10 14 1