@MOLECULE 3,5-dihydroxy-4-[(1e)-5-methoxy-5-oxo-1-penten-1-yl]benzoic acid 33 33 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0961 1.6544 1.4563 O.3 1 UNL111111111 -0.4496 2 O 0.6201 -2.6518 -0.2836 O.3 1 UNL111111111 -0.4511 3 O -3.3654 0.9602 -1.3836 O.3 1 UNL111111111 -0.4077 4 O -4.3814 1.1707 0.6117 O.2 1 UNL111111111 -0.5091 5 O 4.8232 1.5998 -0.0530 O.3 1 UNL111111111 -0.5526 6 O 5.2283 -0.4171 -0.9025 O.2 1 UNL111111111 -0.4917 7 C -3.3069 -1.7244 0.5776 C.3 1 UNL111111111 -0.2639 8 C 0.3379 -0.4975 0.5881 C.ar 1 UNL111111111 -0.1368 9 C -4.2029 -1.0111 -0.4468 C.3 1 UNL111111111 -0.3403 10 C -1.8676 -1.5326 0.2196 C.2 1 UNL111111111 -0.1289 11 C -1.0515 -0.7460 0.9322 C.2 1 UNL111111111 -0.1464 12 C 0.9190 0.7521 0.8688 C.ar 1 UNL111111111 0.2990 13 C 1.1766 -1.4447 -0.0198 C.ar 1 UNL111111111 0.3039 14 C 3.0314 0.0806 -0.0393 C.ar 1 UNL111111111 -0.0052 15 C 2.2482 1.0599 0.5637 C.ar 1 UNL111111111 -0.2962 16 C 2.5136 -1.1774 -0.3353 C.ar 1 UNL111111111 -0.3062 17 C -4.0200 0.4726 -0.2988 C.2 1 UNL111111111 0.6082 18 C 4.4440 0.3378 -0.3874 C.2 1 UNL111111111 0.6322 19 C -3.0189 2.3403 -1.3382 C.3 1 UNL111111111 -0.1731 20 H -3.5515 -2.8072 0.6014 H 1 UNL111111111 0.1554 21 H -3.5307 -1.3491 1.5999 H 1 UNL111111111 0.1629 22 H -5.2693 -1.2663 -0.2757 H 1 UNL111111111 0.1730 23 H -3.9608 -1.3458 -1.4774 H 1 UNL111111111 0.1767 24 H -1.5393 -2.0579 -0.6771 H 1 UNL111111111 0.1611 25 H -1.4082 -0.2072 1.8178 H 1 UNL111111111 0.1704 26 H 2.6617 2.0403 0.7912 H 1 UNL111111111 0.1862 27 H 3.1409 -1.9338 -0.8048 H 1 UNL111111111 0.1864 28 H 0.5638 2.5025 1.6664 H 1 UNL111111111 0.3305 29 H 1.2791 -3.2905 -0.6582 H 1 UNL111111111 0.3292 30 H -2.3460 2.5282 -0.4939 H 1 UNL111111111 0.1432 31 H -3.9200 2.9561 -1.2531 H 1 UNL111111111 0.1391 32 H -2.5104 2.4993 -2.2956 H 1 UNL111111111 0.1449 33 H 5.7683 1.7928 -0.2756 H 1 UNL111111111 0.3566 @BOND 1 1 12 1 2 1 28 1 3 2 13 1 4 2 29 1 5 3 17 1 6 3 19 1 7 4 17 2 8 5 18 1 9 5 33 1 10 6 18 2 11 7 9 1 12 7 10 1 13 7 20 1 14 7 21 1 15 8 11 1 16 8 12 ar 17 8 13 ar 18 9 17 1 19 9 22 1 20 9 23 1 21 10 11 2 22 10 24 1 23 11 25 1 24 12 15 ar 25 13 16 ar 26 14 15 ar 27 14 16 ar 28 14 18 1 29 15 26 1 30 16 27 1 31 19 30 1 32 19 31 1 33 19 32 1