@MOLECULE (2e)-3-(2,3-dihydroxyphenyl)acrylic acid 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6526 -1.7681 0.3749 O.3 1 UNL1111111111 -0.4843 2 O 3.3380 -1.6331 0.0354 O.3 1 UNL1111111111 -0.4455 3 O -3.9960 -0.8017 -0.8889 O.3 1 UNL1111111111 -0.5513 4 O -3.8491 0.6196 0.8230 O.2 1 UNL1111111111 -0.5048 5 C 0.4467 0.6531 0.1377 C.ar 1 UNL1111111111 -0.1308 6 C 1.1786 -0.5320 0.1658 C.ar 1 UNL1111111111 0.1538 7 C 1.1269 1.8596 -0.0915 C.ar 1 UNL1111111111 -0.1461 8 C 2.5781 -0.5118 -0.0159 C.ar 1 UNL1111111111 0.2027 9 C 2.4998 1.8715 -0.2985 C.ar 1 UNL1111111111 -0.1421 10 C 3.2393 0.6869 -0.2584 C.ar 1 UNL1111111111 -0.1909 11 C -0.9950 0.6772 0.3550 C.2 1 UNL1111111111 -0.0149 12 C -1.8569 -0.0853 -0.3326 C.2 1 UNL1111111111 -0.3119 13 C -3.2908 -0.0107 -0.0388 C.2 1 UNL1111111111 0.6441 14 H 0.5650 2.7927 -0.1153 H 1 UNL1111111111 0.1614 15 H 3.0125 2.8138 -0.4899 H 1 UNL1111111111 0.1588 16 H 4.3178 0.6876 -0.4087 H 1 UNL1111111111 0.1788 17 H -1.3438 1.3805 1.1273 H 1 UNL1111111111 0.1809 18 H -1.5636 -0.7580 -1.1414 H 1 UNL1111111111 0.1953 19 H -0.3214 -1.7319 0.5640 H 1 UNL1111111111 0.3472 20 H 2.7800 -2.4358 0.2166 H 1 UNL1111111111 0.3429 21 H -4.9716 -0.7881 -0.7251 H 1 UNL1111111111 0.3565 @BOND 1 1 6 1 2 1 19 1 3 2 8 1 4 2 20 1 5 3 13 1 6 3 21 1 7 4 13 2 8 5 6 ar 9 5 7 ar 10 5 11 1 11 6 8 ar 12 7 9 ar 13 7 14 1 14 8 10 ar 15 9 10 ar 16 9 15 1 17 10 16 1 18 11 12 2 19 11 17 1 20 12 13 1 21 12 18 1