@MOLECULE 2,6-dimethoxybenzoic acid 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.2981 0.2816 0.0339 O.3 1 UNL11111111 -0.2915 2 O 2.2986 0.2866 0.0324 O.3 1 UNL11111111 -0.2912 3 O -0.0083 2.2169 -1.1561 O.3 1 UNL11111111 -0.5417 4 O 0.0001 2.3965 1.0630 O.2 1 UNL11111111 -0.4905 5 C 0.0001 0.2154 0.0316 C.ar 1 UNL11111111 -0.3420 6 C -1.2022 -0.5086 0.0104 C.ar 1 UNL11111111 0.3531 7 C 1.2043 -0.5059 0.0099 C.ar 1 UNL11111111 0.3531 8 C -1.2113 -1.9071 -0.0187 C.ar 1 UNL11111111 -0.3811 9 C 1.2162 -1.9045 -0.0197 C.ar 1 UNL11111111 -0.3810 10 C 0.0035 -2.5873 -0.0270 C.ar 1 UNL11111111 0.0232 11 C -0.0021 1.6817 0.0959 C.2 1 UNL11111111 0.6899 12 C -3.5712 -0.3540 0.0242 C.3 1 UNL11111111 -0.2007 13 C 3.5724 -0.3473 0.0228 C.3 1 UNL11111111 -0.2008 14 H -2.1422 -2.4605 -0.0354 H 1 UNL11111111 0.1706 15 H 2.1484 -2.4558 -0.0361 H 1 UNL11111111 0.1706 16 H 0.0043 -3.6798 -0.0388 H 1 UNL11111111 0.1468 17 H -4.2510 0.5062 0.1117 H 1 UNL11111111 0.1592 18 H -3.6879 -1.0196 0.8848 H 1 UNL11111111 0.1374 19 H -3.7327 -0.8807 -0.9213 H 1 UNL11111111 0.1372 20 H 3.7338 -0.8755 -0.9220 H 1 UNL11111111 0.1372 21 H 3.6906 -1.0114 0.8844 H 1 UNL11111111 0.1375 22 H 4.2515 0.5138 0.1080 H 1 UNL11111111 0.1592 23 H -0.0104 3.2061 -1.1516 H 1 UNL11111111 0.3453 @BOND 1 3 23 1 2 3 11 1 3 19 12 1 4 20 13 1 5 16 10 1 6 15 9 1 7 14 8 1 8 10 9 ar 9 10 8 ar 10 9 7 ar 11 8 6 ar 12 7 5 ar 13 7 2 1 14 6 5 ar 15 6 1 1 16 13 2 1 17 13 22 1 18 13 21 1 19 12 1 1 20 12 17 1 21 12 18 1 22 5 11 1 23 11 4 2