@MOLECULE 2,5-pyridinedicarboxylic acid 17 17 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3203 -1.2087 0.0051 O.3 1 UNL1111111111 -0.5569 2 O 3.3467 -1.1917 -0.0105 O.3 1 UNL1111111111 -0.4737 3 O -3.6041 1.0051 -0.0034 O.2 1 UNL1111111111 -0.4788 4 OXT 3.5590 1.0251 0.0110 O.2 1 UNL1111111111 -0.4909 5 N 0.7068 -1.1085 0.0029 N.ar 1 UNL1111111111 -0.3232 6 C -1.3812 0.0829 -0.0008 C.ar 1 UNL1111111111 -0.2061 7 C -0.7114 1.3068 -0.0043 C.ar 1 UNL1111111111 -0.0331 8 CA 1.3471 0.0784 0.0003 C.ar 1 UNL1111111111 0.0997 9 C 0.6836 1.3117 -0.0036 C.ar 1 UNL1111111111 -0.1997 10 C -0.6339 -1.1109 0.0020 C.ar 1 UNL1111111111 0.1106 11 C -2.8514 0.0663 -0.0002 C.2 1 UNL1111111111 0.6419 12 C 2.8414 0.0565 0.0014 C.2 1 UNL1111111111 0.6129 13 H -1.2771 2.2452 -0.0070 H 1 UNL1111111111 0.1866 14 H 1.2476 2.2479 -0.0058 H 1 UNL1111111111 0.1966 15 H -1.1187 -2.1003 0.0039 H 1 UNL1111111111 0.2018 16 H -4.3098 -1.2643 0.0065 H 1 UNL1111111111 0.3647 17 H 4.3435 -1.1985 -0.0107 H 1 UNL1111111111 0.3478 @BOND 1 1 11 1 2 1 16 1 3 2 12 1 4 2 17 1 5 3 11 2 6 4 12 2 7 5 8 ar 8 5 10 ar 9 6 7 ar 10 6 10 ar 11 6 11 1 12 7 9 ar 13 7 13 1 14 8 9 ar 15 8 12 1 16 9 14 1 17 10 15 1