@MOLECULE 3-(carboxymethyl)-2-pyridinecarboxylic acid 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9293 1.2237 0.5142 O.3 1 UNL1111111111 -0.5463 2 O 1.2576 2.0954 -1.1415 O.3 1 UNL1111111111 -0.5593 3 O -2.9164 -0.9991 0.3090 O.2 1 UNL1111111111 -0.5032 4 OXT 1.5580 2.2130 1.0697 O.2 1 UNL1111111111 -0.4362 5 N 2.2123 -0.6612 0.3653 N.ar 1 UNL1111111111 -0.3249 6 C -0.0754 -0.4918 -0.4073 C.ar 1 UNL1111111111 -0.0336 7 C -1.2350 0.3399 -0.8386 C.3 1 UNL1111111111 -0.3555 8 CA 1.1403 0.0702 0.0024 C.ar 1 UNL1111111111 0.0639 9 C -0.1707 -1.8907 -0.4074 C.ar 1 UNL1111111111 -0.0931 10 C 0.9239 -2.6548 -0.0241 C.ar 1 UNL1111111111 -0.2061 11 C -2.4226 0.0624 0.0367 C.2 1 UNL1111111111 0.6502 12 C 2.1073 -1.9985 0.3518 C.ar 1 UNL1111111111 0.0484 13 C 1.3566 1.5430 0.0983 C.2 1 UNL1111111111 0.6352 14 H -1.5022 0.1136 -1.9008 H 1 UNL1111111111 0.1999 15 H -0.9980 1.4327 -0.8484 H 1 UNL1111111111 0.2078 16 H -1.1112 -2.3712 -0.6949 H 1 UNL1111111111 0.1847 17 H 0.8699 -3.7411 -0.0116 H 1 UNL1111111111 0.1715 18 H 3.0054 -2.5501 0.6565 H 1 UNL1111111111 0.1797 19 H -3.7119 1.1044 1.1103 H 1 UNL1111111111 0.3587 20 H 1.4449 3.0679 -1.1553 H 1 UNL1111111111 0.3580 @BOND 1 1 11 1 2 1 19 1 3 2 13 1 4 2 20 1 5 3 11 2 6 4 13 2 7 5 8 ar 8 5 12 ar 9 6 7 1 10 6 8 ar 11 6 9 ar 12 7 11 1 13 7 14 1 14 7 15 1 15 8 13 1 16 9 10 ar 17 9 16 1 18 10 12 ar 19 10 17 1 20 12 18 1