@MOLECULE 3,5-dihydroxy-4-methoxybenzoic acid 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7854 0.3921 0.1740 O.3 1 UNL1111111111 -0.3216 2 O -1.5791 -2.1899 0.0995 O.3 1 UNL1111111111 -0.4662 3 O -1.2074 2.5679 0.0076 O.3 1 UNL1111111111 -0.4352 4 O 3.2905 -1.3021 -0.0471 O.3 1 UNL1111111111 -0.5606 5 O 3.5885 0.9021 -0.0402 O.2 1 UNL1111111111 -0.4913 6 C -1.4490 0.1605 0.0675 C.ar 1 UNL1111111111 0.0395 7 C 1.3464 0.0152 0.0008 C.ar 1 UNL1111111111 -0.0670 8 C -0.7950 -1.0788 0.0712 C.ar 1 UNL1111111111 0.2034 9 C -0.6622 1.3286 0.0209 C.ar 1 UNL1111111111 0.2266 10 C 0.5976 -1.1604 0.0365 C.ar 1 UNL1111111111 -0.2461 11 C 0.7315 1.2659 -0.0079 C.ar 1 UNL1111111111 -0.1954 12 C 2.8193 -0.0241 -0.0294 C.2 1 UNL1111111111 0.6432 13 C -3.6444 -0.6343 -0.3161 C.3 1 UNL1111111111 -0.1806 14 H 1.0952 -2.1300 0.0412 H 1 UNL1111111111 0.1857 15 H 1.3180 2.1884 -0.0388 H 1 UNL1111111111 0.2035 16 H -3.6961 -1.4480 0.4180 H 1 UNL1111111111 0.1501 17 H -3.3192 -1.0081 -1.2907 H 1 UNL1111111111 0.1398 18 H -4.6077 -0.1144 -0.3930 H 1 UNL1111111111 0.1445 19 H -1.0334 -3.0170 0.1085 H 1 UNL1111111111 0.3320 20 H -2.2027 2.5211 0.0077 H 1 UNL1111111111 0.3402 21 H 4.2785 -1.3489 -0.0636 H 1 UNL1111111111 0.3558 @BOND 1 1 6 1 2 1 13 1 3 2 8 1 4 2 19 1 5 3 9 1 6 3 20 1 7 4 12 1 8 4 21 1 9 5 12 2 10 6 8 ar 11 6 9 ar 12 7 10 ar 13 7 11 ar 14 7 12 1 15 8 10 ar 16 9 11 ar 17 10 14 1 18 11 15 1 19 13 16 1 20 13 17 1 21 13 18 1