@MOLECULE (2s)-2-hydroxyhexanedioic acid 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6120 -1.6863 0.3526 O.3 1 UNL1111111111 -0.5136 2 O 3.4314 0.9259 -1.0584 O.3 1 UNL1111111111 -0.5550 3 O -4.2936 0.6589 0.6342 O.3 1 UNL1111111111 -0.5731 4 O 3.5913 0.1679 1.0385 O.2 1 UNL1111111111 -0.4977 5 O -3.5274 -0.8046 -0.8593 O.2 1 UNL1111111111 -0.5011 6 C 0.5208 0.4704 0.1089 C.3 1 UNL1111111111 -0.3222 7 C -0.8249 -0.1769 -0.2265 C.3 1 UNL1111111111 -0.2435 8 C 1.6604 -0.4600 -0.3211 C.3 1 UNL1111111111 0.0938 9 C -1.9767 0.6688 0.3207 C.3 1 UNL1111111111 -0.3483 10 C 2.9877 0.2119 0.0009 C.2 1 UNL1111111111 0.5772 11 C -3.2882 0.0645 -0.0648 C.2 1 UNL1111111111 0.6435 12 H 0.6175 1.4500 -0.4009 H 1 UNL1111111111 0.1596 13 H 0.5868 0.6810 1.1949 H 1 UNL1111111111 0.1559 14 H -0.9333 -0.3098 -1.3230 H 1 UNL1111111111 0.1603 15 H -0.8685 -1.2069 0.1899 H 1 UNL1111111111 0.1696 16 H 1.5924 -0.7578 -1.3966 H 1 UNL1111111111 0.1834 17 H -1.9254 1.7112 -0.0647 H 1 UNL1111111111 0.1805 18 H -1.9116 0.7668 1.4268 H 1 UNL1111111111 0.1829 19 H 1.7922 -1.5750 1.3161 H 1 UNL1111111111 0.3303 20 H 4.2994 1.3776 -0.9053 H 1 UNL1111111111 0.3597 21 H -5.1908 0.3038 0.4221 H 1 UNL1111111111 0.3578 @BOND 1 1 8 1 2 1 19 1 3 2 10 1 4 2 20 1 5 3 11 1 6 3 21 1 7 4 10 2 8 5 11 2 9 6 7 1 10 6 8 1 11 6 12 1 12 6 13 1 13 7 9 1 14 7 14 1 15 7 15 1 16 8 10 1 17 8 16 1 18 9 11 1 19 9 17 1 20 9 18 1