@MOLECULE 5,6-diethoxy-1-benzothiophene-2-carboxylic acid 32 33 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.2091 -1.4796 0.1385 S.2 1 UNL111111111 0.2784 2 O 2.8103 1.4915 -0.4763 O.3 1 UNL111111111 -0.3205 3 O 3.0153 -1.0574 -0.1625 O.3 1 UNL111111111 -0.2799 4 O -4.8222 1.5124 -0.0651 O.3 1 UNL111111111 -0.5602 5 O -5.2831 -0.6458 0.2325 O.2 1 UNL111111111 -0.4977 6 C -0.7466 0.6503 -0.1756 C.ar 1 UNL111111111 -0.1100 7 C -0.6316 -0.7453 -0.0283 C.ar 1 UNL111111111 -0.0592 8 C 1.6376 0.8203 -0.3000 C.ar 1 UNL111111111 0.1130 9 C 1.7459 -0.6013 -0.1561 C.ar 1 UNL111111111 0.2171 10 C 0.4063 1.4403 -0.3217 C.ar 1 UNL111111111 -0.1668 11 C 0.6088 -1.3854 -0.0257 C.ar 1 UNL111111111 -0.3049 12 C -2.1110 1.1010 -0.1551 C.ar 1 UNL111111111 -0.0275 13 C -3.0042 0.0840 0.0103 C.ar 1 UNL111111111 -0.3135 14 C 2.9753 2.5967 0.4312 C.3 1 UNL111111111 -0.0248 15 C 3.1925 -2.4584 0.1121 C.3 1 UNL111111111 -0.0396 16 C -4.4453 0.2069 0.0763 C.2 1 UNL111111111 0.6631 17 C 4.4844 2.7847 0.4932 C.3 1 UNL111111111 -0.4577 18 C 4.7005 -2.6419 0.0600 C.3 1 UNL111111111 -0.4556 19 H 0.3228 2.5198 -0.4544 H 1 UNL111111111 0.1727 20 H 0.6698 -2.4645 0.0768 H 1 UNL111111111 0.1750 21 H -2.3765 2.1476 -0.2600 H 1 UNL111111111 0.1791 22 H 2.4578 3.4683 -0.0048 H 1 UNL111111111 0.1240 23 H 2.5406 2.3540 1.4147 H 1 UNL111111111 0.1252 24 H 2.7779 -2.6834 1.1055 H 1 UNL111111111 0.1290 25 H 2.6740 -3.0518 -0.6631 H 1 UNL111111111 0.1316 26 H 4.7553 3.6404 1.1194 H 1 UNL111111111 0.1514 27 H 4.9778 1.8910 0.8980 H 1 UNL111111111 0.1601 28 H 4.9014 2.9466 -0.5102 H 1 UNL111111111 0.1620 29 H 4.9772 -3.6870 0.2412 H 1 UNL111111111 0.1553 30 H 5.1051 -2.3477 -0.9180 H 1 UNL111111111 0.1650 31 H 5.2052 -2.0190 0.8112 H 1 UNL111111111 0.1610 32 H -5.8030 1.6361 -0.0255 H 1 UNL111111111 0.3550 @BOND 1 1 7 ar 2 1 13 ar 3 2 8 1 4 2 14 1 5 3 9 1 6 3 15 1 7 4 16 1 8 4 32 1 9 5 16 2 10 6 7 ar 11 6 10 ar 12 6 12 ar 13 7 11 ar 14 8 9 ar 15 8 10 ar 16 9 11 ar 17 10 19 1 18 11 20 1 19 12 13 ar 20 12 21 1 21 13 16 1 22 14 17 1 23 14 22 1 24 14 23 1 25 15 18 1 26 15 24 1 27 15 25 1 28 17 26 1 29 17 27 1 30 17 28 1 31 18 29 1 32 18 30 1 33 18 31 1