@MOLECULE (1r,5s)-5-amino-1,5-dicarboxy-1-pentanaminium 13 10 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.5052 -2.6032 -0.2287 O.2 1 UNL1 -0.3087 2 O 2.0087 -0.8609 0.1984 O.2 1 UNL1 -0.3473 3 O -3.3165 -2.7392 -0.1507 O.2 2 UNL2 -0.3099 4 O -1.9873 -0.8835 0.3464 O.2 2 UNL2 -0.3452 5 N 3.7273 1.7561 0.0594 N.1 1 UNL1 -0.1798 6 N -3.8325 1.6576 -0.1044 N.1 1 UNL1 -0.1783 7 C -0.0520 1.8074 -0.0481 C.1 1 UNL1 0.0421 8 C 1.2128 1.8614 -0.0363 C.1 1 UNL1 0.0116 9 C -1.3181 1.8176 -0.0904 C.3 1 UNL1 0.0119 10 C 2.5628 1.7929 0.0125 C.1 1 UNL1 0.1473 11 C -2.6674 1.7242 -0.0962 C.1 1 UNL1 0.1460 12 C 2.7599 -1.7322 -0.0114 C.1 1 UNL1 0.6556 13 C -2.6550 -1.8122 0.1022 C.1 2 UNL2 0.6546 @BOND 1 1 12 2 2 3 13 2 3 6 11 3 4 11 9 1 5 9 7 1 6 7 8 3 7 8 10 1 8 12 2 2 9 10 5 3 10 13 4 2