@MOLECULE gallic acid 18 18 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.0985 0.1218 0.0075 O.3 1 UNL1111111 -0.4603 2 O -1.8448 -2.3207 0.0016 O.3 1 UNL1111111 -0.4827 3 O -1.5958 2.4248 -0.0028 O.3 1 UNL1111111 -0.4335 4 O 3.0860 1.1065 -0.0037 O.3 1 UNL1111111 -0.5480 5 O 3.1990 -1.1164 0.0037 O.2 1 UNL1111111 -0.5023 6 C 1.0413 -0.0457 0.0009 C.ar 1 UNL1111111 -0.0763 7 C -1.7449 0.0096 0.0005 C.ar 1 UNL1111111 0.0823 8 C -1.0554 -1.2122 -0.0010 C.ar 1 UNL1111111 0.1857 9 C -1.0099 1.2054 0.0007 C.ar 1 UNL1111111 0.2199 10 C 0.3346 -1.2529 -0.0015 C.ar 1 UNL1111111 -0.2406 11 C 0.3884 1.1831 0.0022 C.ar 1 UNL1111111 -0.1753 12 C 2.5128 -0.1258 0.0009 C.2 1 UNL1111111 0.6430 13 H 0.8722 -2.2014 -0.0017 H 1 UNL1111111 0.1875 14 H 0.9422 2.1256 0.0031 H 1 UNL1111111 0.2022 15 H -3.5220 -0.7778 -0.0556 H 1 UNL1111111 0.3548 16 H -1.3100 -3.1517 -0.0604 H 1 UNL1111111 0.3452 17 H -2.5889 2.3436 -0.0151 H 1 UNL1111111 0.3430 18 H 4.0754 1.0738 -0.0032 H 1 UNL1111111 0.3555 @BOND 1 16 2 1 2 15 1 1 3 17 3 1 4 4 18 1 5 4 12 1 6 3 9 1 7 13 10 1 8 10 8 ar 9 10 6 ar 10 8 7 ar 11 8 2 1 12 7 9 ar 13 7 1 1 14 9 11 ar 15 12 6 1 16 12 5 2 17 6 11 ar 18 11 14 1