@MOLECULE (e)-amino{[(4s)-4-amino-4-carboxybutyl]amino}-n-propylmethaniminium 16 13 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.6342 2.5191 0.0880 O.2 1 UNL1 -0.3017 2 O -3.4638 1.7610 -0.3423 O.2 1 UNL1 -0.3519 3 N 0.6202 0.0127 0.7478 N.1 1 UNL1 -0.2219 4 N 3.6885 0.0013 0.2547 N.pl3 2 UNL2 -0.3526 5 N -4.9996 -2.5055 -0.4580 N.1 1 UNL1 -0.1297 6 N 4.1321 -2.4295 -0.2773 N.1 2 UNL2 -0.2155 7 C -1.6667 -0.9794 0.3162 C.1 1 UNL1 -0.0048 8 C -2.7487 -1.4826 0.0888 C.1 1 UNL1 0.0402 9 C -0.4304 -0.4372 0.5585 C.1 1 UNL1 0.2014 10 C -3.9702 -2.0412 -0.1985 C.1 1 UNL1 0.1223 11 C 3.9313 -1.3168 -0.0375 C.1 2 UNL2 0.2017 12 C 4.6082 0.9300 0.0963 C.3 2 UNL2 0.3049 13 C -4.5528 2.1368 -0.1309 C.1 1 UNL1 0.6535 14 C 5.7855 1.3375 -0.2172 C.1 2 UNL2 -0.7053 15 C 6.9209 1.8701 -0.4959 C.1 2 UNL2 0.3826 16 H 2.7312 0.2381 0.5667 H 2 UNL2 0.3768 @BOND 1 15 14 3 2 5 10 3 3 2 13 2 4 6 11 3 5 14 12 1 6 10 8 1 7 13 1 2 8 11 4 1 9 8 7 3 10 12 4 1 11 4 16 1 12 7 9 1 13 9 3 3