@MOLECULE (s)-(+)-alpha-hydroxybutyric acid 15 14 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5859 -1.4653 -0.5438 O.3 1 UNL1111111111111 -0.5161 2 O 1.7159 1.1353 -0.5333 O.3 1 UNL1111111111111 -0.5578 3 O 1.7417 -0.6540 0.8044 O.2 1 UNL1111111111111 -0.4984 4 C -1.2176 0.5965 0.5826 C.3 1 UNL1111111111111 -0.3012 5 C -0.2993 -0.0993 -0.4280 C.3 1 UNL1111111111111 0.0930 6 C -2.6651 0.5235 0.1071 C.3 1 UNL1111111111111 -0.4269 7 C 1.1439 0.0470 0.0337 C.2 1 UNL1111111111111 0.5799 8 H -0.9089 1.6531 0.7145 H 1 UNL1111111111111 0.1564 9 H -1.1199 0.1235 1.5803 H 1 UNL1111111111111 0.1527 10 H -0.4428 0.2783 -1.4699 H 1 UNL1111111111111 0.1807 11 H -3.3565 0.9021 0.8682 H 1 UNL1111111111111 0.1444 12 H -2.9561 -0.5122 -0.1198 H 1 UNL1111111111111 0.1604 13 H -2.8247 1.1110 -0.8046 H 1 UNL1111111111111 0.1462 14 H -0.4306 -1.9379 0.3073 H 1 UNL1111111111111 0.3286 15 H 2.6590 1.2784 -0.2692 H 1 UNL1111111111111 0.3580 @BOND 1 1 5 1 2 1 14 1 3 2 7 1 4 2 15 1 5 3 7 2 6 4 5 1 7 4 6 1 8 4 8 1 9 4 9 1 10 5 7 1 11 5 10 1 12 6 11 1 13 6 12 1 14 6 13 1