@MOLECULE 3,4-dimethoxyphenylacetic acid 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8514 -1.9128 -0.1104 O.3 1 UNL1111111111 -0.3017 2 O 2.9344 0.6287 -0.3755 O.3 1 UNL1111111111 -0.3144 3 O -4.2434 0.7790 -0.2259 O.3 1 UNL1111111111 -0.5758 4 O -3.2332 -0.9691 -1.1697 O.2 1 UNL1111111111 -0.4867 5 C -1.0455 0.0926 0.6500 C.ar 1 UNL1111111111 -0.0061 6 C -0.1960 -0.9964 0.4437 C.ar 1 UNL1111111111 -0.1944 7 C -2.4808 -0.1452 1.0081 C.3 1 UNL1111111111 -0.3428 8 C 1.1389 -0.7754 0.1111 C.ar 1 UNL1111111111 0.1534 9 C -0.5638 1.3942 0.5283 C.ar 1 UNL1111111111 -0.1562 10 C 1.6207 0.5461 -0.0258 C.ar 1 UNL1111111111 0.1311 11 C 0.7694 1.6240 0.1872 C.ar 1 UNL1111111111 -0.2361 12 C -3.3017 -0.2067 -0.2458 C.2 1 UNL1111111111 0.6524 13 C 3.2492 -1.8537 0.1482 C.3 1 UNL1111111111 -0.1964 14 C 3.4894 1.9286 -0.5079 C.3 1 UNL1111111111 -0.2040 15 H -0.5618 -2.0201 0.5231 H 1 UNL1111111111 0.1815 16 H -2.8599 0.6488 1.6933 H 1 UNL1111111111 0.1883 17 H -2.6055 -1.0998 1.5696 H 1 UNL1111111111 0.1855 18 H -1.2292 2.2409 0.6910 H 1 UNL1111111111 0.1601 19 H 1.1243 2.6451 0.0860 H 1 UNL1111111111 0.1620 20 H 3.4724 -1.3122 1.0707 H 1 UNL1111111111 0.1339 21 H 3.7725 -1.4068 -0.7063 H 1 UNL1111111111 0.1445 22 H 3.5128 -2.9150 0.2495 H 1 UNL1111111111 0.1465 23 H 3.4504 2.4659 0.4445 H 1 UNL1111111111 0.1327 24 H 2.9920 2.4885 -1.3099 H 1 UNL1111111111 0.1377 25 H 4.5288 1.7048 -0.7868 H 1 UNL1111111111 0.1515 26 H -4.8159 0.7988 -1.0286 H 1 UNL1111111111 0.3531 @BOND 1 1 8 1 2 1 13 1 3 2 10 1 4 2 14 1 5 3 12 1 6 3 26 1 7 4 12 2 8 5 6 ar 9 5 7 1 10 5 9 ar 11 6 8 ar 12 6 15 1 13 7 12 1 14 7 16 1 15 7 17 1 16 8 10 ar 17 9 11 ar 18 9 18 1 19 10 11 ar 20 11 19 1 21 13 20 1 22 13 21 1 23 13 22 1 24 14 23 1 25 14 24 1 26 14 25 1