@MOLECULE 2-oxo-5-phenylpentanoic acid 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.3005 -0.1629 0.5290 C.ar 1 UNL111111111 0.0122 2 C 2.9793 -1.2789 0.0361 C.ar 1 UNL111111111 -0.1809 3 C 4.2486 -1.1348 -0.5198 C.ar 1 UNL111111111 -0.1332 4 C 4.8442 0.1234 -0.5861 C.ar 1 UNL111111111 -0.1622 5 C 4.1684 1.2384 -0.0927 C.ar 1 UNL111111111 -0.1322 6 C 2.8998 1.0971 0.4643 C.ar 1 UNL111111111 -0.1793 7 C 0.9277 -0.3126 1.1115 C.3 1 UNL111111111 -0.2915 8 C -0.1212 0.0879 0.0642 C.3 1 UNL111111111 -0.2378 9 C -1.5345 -0.1941 0.5802 C.3 1 UNL111111111 -0.3687 10 C -2.5623 0.2900 -0.3901 C.2 1 UNL111111111 0.4129 11 C -4.0013 -0.0027 0.0351 C.2 1 UNL111111111 0.5233 12 O -4.7230 0.6874 0.6977 O.2 1 UNL111111111 -0.4601 13 O -4.3684 -1.2177 -0.4259 O.3 1 UNL111111111 -0.5408 14 O -2.3554 0.8835 -1.4084 O.2 1 UNL111111111 -0.3497 15 H 2.5175 -2.2628 0.0825 H 1 UNL111111111 0.1507 16 H 4.7748 -2.0069 -0.9037 H 1 UNL111111111 0.1490 17 H 5.8341 0.2354 -1.0221 H 1 UNL111111111 0.1505 18 H 4.6325 2.2218 -0.1435 H 1 UNL111111111 0.1498 19 H 2.3742 1.9692 0.8464 H 1 UNL111111111 0.1524 20 H 0.7541 -1.3537 1.4500 H 1 UNL111111111 0.1484 21 H 0.8218 0.3123 2.0216 H 1 UNL111111111 0.1511 22 H -0.0106 1.1603 -0.1963 H 1 UNL111111111 0.1585 23 H 0.0574 -0.4580 -0.8845 H 1 UNL111111111 0.1571 24 H -1.6679 -1.2843 0.7616 H 1 UNL111111111 0.1807 25 H -1.6896 0.2920 1.5695 H 1 UNL111111111 0.1812 26 H -5.3072 -1.4614 -0.2179 H 1 UNL111111111 0.3588 @BOND 1 1 6 ar 2 1 2 ar 3 1 7 1 4 2 3 ar 5 2 15 1 6 3 4 ar 7 3 16 1 8 4 5 ar 9 4 17 1 10 5 6 ar 11 5 18 1 12 6 19 1 13 7 8 1 14 7 20 1 15 7 21 1 16 8 9 1 17 8 22 1 18 8 23 1 19 9 10 1 20 9 24 1 21 9 25 1 22 10 11 1 23 10 14 2 24 11 12 2 25 11 13 1 26 13 26 1