@MOLECULE 3-oxopentanoic acid 16 15 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5094 1.4625 0.4947 O.2 1 UNL1111111111 -0.4356 2 O 2.8176 0.2432 -0.2436 O.3 1 UNL1111111111 -0.5559 3 O 1.3496 -1.2435 0.5283 O.2 1 UNL1111111111 -0.5093 4 C -1.3652 -0.8191 -0.1887 C.3 1 UNL1111111111 -0.3571 5 C -0.8506 0.5732 0.0241 C.2 1 UNL1111111111 0.4988 6 C 0.5805 0.8698 -0.4071 C.3 1 UNL1111111111 -0.4851 7 C -2.8875 -0.8347 -0.2578 C.3 1 UNL1111111111 -0.4191 8 C 1.5520 -0.1715 0.0222 C.2 1 UNL1111111111 0.6627 9 H -0.9258 -1.2804 -1.0946 H 1 UNL1111111111 0.1640 10 H -1.0099 -1.4631 0.6531 H 1 UNL1111111111 0.1957 11 H 0.6118 1.0008 -1.5135 H 1 UNL1111111111 0.2081 12 H 0.8906 1.8702 -0.0119 H 1 UNL1111111111 0.2183 13 H -3.2602 -0.2773 -1.1253 H 1 UNL1111111111 0.1471 14 H -3.2753 -1.8572 -0.3246 H 1 UNL1111111111 0.1451 15 H -3.3310 -0.3673 0.6339 H 1 UNL1111111111 0.1626 16 H 3.5133 -0.4068 0.0297 H 1 UNL1111111111 0.3598 @BOND 1 1 5 2 2 2 8 1 3 2 16 1 4 3 8 2 5 4 5 1 6 4 7 1 7 4 9 1 8 4 10 1 9 5 6 1 10 6 8 1 11 6 11 1 12 6 12 1 13 7 13 1 14 7 14 1 15 7 15 1