@MOLECULE (2s)-2,3-diammoniopropanoate 7 5 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.2944 -0.0275 0.0139 O.2 1 UNL1 -0.3064 2 O 1.0637 -0.7216 -0.0176 O.2 1 UNL1 -0.3613 3 N -0.5687 1.6579 -0.0038 N.1 1 UNL1 -0.1319 4 N -3.1185 -1.0255 0.0074 N.1 1 UNL1 -0.1132 5 C -1.3647 0.8186 -0.0005 C.1 1 UNL1 0.1310 6 C -2.3204 -0.1883 0.0034 C.1 1 UNL1 0.1144 7 C 2.1796 -0.3699 -0.0021 C.1 1 UNL1 0.6675 @BOND 1 2 7 2 2 3 5 3 3 7 1 2 4 5 6 1 5 6 4 3