@MOLECULE catechol 14 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.6544 1.4117 0.0037 O.3 1 UNL1 -0.4499 2 O 1.7105 -1.3126 -0.0097 O.3 1 UNL1 -0.4927 3 C 0.5043 0.6927 0.0002 C.ar 1 UNL1 0.2049 4 C 0.4835 -0.7158 0.0007 C.ar 1 UNL1 0.1385 5 C -0.6906 1.4064 -0.0021 C.ar 1 UNL1 -0.1977 6 C -0.7171 -1.4114 0.0028 C.ar 1 UNL1 -0.2305 7 C -1.8973 0.7049 -0.0020 C.ar 1 UNL1 -0.1428 8 C -1.9125 -0.6873 0.0014 C.ar 1 UNL1 -0.1512 9 H -0.6677 2.4944 -0.0032 H 1 UNL1 0.1757 10 H -0.7324 -2.4972 0.0036 H 1 UNL1 0.1587 11 H -2.8357 1.2572 -0.0040 H 1 UNL1 0.1546 12 H -2.8608 -1.2207 0.0026 H 1 UNL1 0.1534 13 H 2.4470 0.8115 0.0158 H 1 UNL1 0.3411 14 H 1.6396 -2.2935 0.0692 H 1 UNL1 0.3378 @BOND 1 2 4 1 2 2 14 1 3 11 7 1 4 9 5 1 5 5 7 ar 6 5 3 ar 7 7 8 ar 8 3 4 ar 9 3 1 1 10 4 6 ar 11 8 12 1 12 8 6 ar 13 6 10 1 14 1 13 1