@MOLECULE p-benzoquinone, 2,5-dihydroxy 14 14 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.4231 1.2730 0.0003 O.2 1 UNL11111111 -0.4123 2 O 2.4665 -1.1773 0.0001 O.2 1 UNL11111111 -0.3841 3 O -2.2652 -1.4155 -0.0002 O.2 1 UNL11111111 -0.4251 4 O 2.2524 1.4471 0.0000 O.2 1 UNL11111111 -0.3412 5 C -1.2213 0.6815 0.0002 C.2 1 UNL11111111 0.2283 6 C 1.2237 -0.6958 0.0001 C.2 1 UNL11111111 0.2599 7 C -1.2056 -0.8325 -0.0001 C.2 1 UNL11111111 0.4401 8 C 1.2217 0.8288 -0.0002 C.2 1 UNL11111111 0.4390 9 C -0.1052 1.4332 -0.0003 C.2 1 UNL11111111 -0.4095 10 C 0.1037 -1.4505 -0.0001 C.2 1 UNL11111111 -0.4899 11 H -0.1411 2.5241 -0.0007 H 1 UNL11111111 0.2108 12 H 0.1196 -2.5381 0.0000 H 1 UNL11111111 0.1981 13 H -3.1630 0.5892 0.0003 H 1 UNL11111111 0.3543 14 H 2.4962 -2.1763 0.0009 H 1 UNL11111111 0.3315 @BOND 1 11 9 1 2 9 8 1 3 9 5 2 4 3 7 2 5 8 4 2 6 8 6 1 7 10 7 1 8 10 12 1 9 10 6 2 10 7 5 1 11 2 6 1 12 2 14 1 13 5 1 1 14 1 13 1