@MOLECULE (4s)-4-(2-hydroxy-2-propanyl)-1-cyclohexene-1-carboxylic acid 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7637 -0.2181 1.3018 O.3 1 UNL1111111111 -0.5434 2 O 3.6981 1.1095 -0.1498 O.3 1 UNL1111111111 -0.4872 3 O 3.8514 -1.1008 0.0238 O.2 1 UNL1111111111 -0.3174 4 C -1.1480 0.0370 -0.3807 C.3 1 UNL1111111111 0.3275 5 C -2.6717 0.0117 -0.0943 C.3 1 UNL1111111111 0.2714 6 C -0.4569 1.2101 0.3316 C.3 1 UNL1111111111 -0.7283 7 C -0.4985 -1.2783 0.0916 C.3 1 UNL1111111111 -0.4652 8 C 1.0314 1.2733 -0.0389 C.3 1 UNL1111111111 -0.3291 9 C 0.9865 -1.2246 0.0528 C.2 1 UNL1111111111 -0.2817 10 C 1.6733 -0.0723 0.0019 C.2 1 UNL1111111111 0.1779 11 C -3.3732 -1.1367 -0.8340 C.3 1 UNL1111111111 -0.9599 12 C -3.3558 1.3437 -0.4256 C.3 1 UNL1111111111 -0.9170 13 C 3.1395 -0.1274 -0.0332 C.2 1 UNL1111111111 0.1847 14 H -1.0045 0.1427 -1.4813 H 1 UNL1111111111 0.0823 15 H -0.5762 1.0919 1.4273 H 1 UNL1111111111 0.3077 16 H -0.9403 2.1691 0.0760 H 1 UNL1111111111 0.2261 17 H -0.8718 -2.1290 -0.5120 H 1 UNL1111111111 0.2032 18 H -0.8256 -1.4945 1.1394 H 1 UNL1111111111 0.2943 19 H 1.5559 1.9748 0.6471 H 1 UNL1111111111 0.2180 20 H 1.1585 1.7128 -1.0516 H 1 UNL1111111111 0.1739 21 H 1.4961 -2.1928 0.0847 H 1 UNL1111111111 0.2483 22 H -4.4610 -1.0855 -0.7246 H 1 UNL1111111111 0.2851 23 H -3.1480 -1.1192 -1.9046 H 1 UNL1111111111 0.2677 24 H -3.0584 -2.1096 -0.4374 H 1 UNL1111111111 0.2527 25 H -3.0639 2.1222 0.2910 H 1 UNL1111111111 0.2429 26 H -4.4467 1.2633 -0.3838 H 1 UNL1111111111 0.2680 27 H -3.0899 1.6923 -1.4284 H 1 UNL1111111111 0.2554 28 H -3.6897 -0.2349 1.5986 H 1 UNL1111111111 0.3803 29 H 4.6866 1.0845 -0.1720 H 1 UNL1111111111 0.3618 @BOND 1 1 5 1 2 1 28 1 3 2 13 1 4 2 29 1 5 3 13 2 6 4 5 1 7 4 6 1 8 4 7 1 9 4 14 1 10 5 11 1 11 5 12 1 12 6 8 1 13 6 15 1 14 6 16 1 15 7 9 1 16 7 17 1 17 7 18 1 18 8 10 1 19 8 19 1 20 8 20 1 21 9 10 2 22 9 21 1 23 10 13 1 24 11 22 1 25 11 23 1 26 11 24 1 27 12 25 1 28 12 26 1 29 12 27 1