@MOLECULE (2s)-2-ammonio-5-{[ammonio(imino)methyl]amino}pentanoate 12 9 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.2900 2.0128 0.3590 O.2 1 UNL1 -0.3088 2 O -2.1079 1.8789 -0.4649 O.2 1 UNL1 -0.3380 3 N -3.7028 -2.3337 -0.3639 N.1 1 UNL1 -0.1394 4 N 2.1585 -0.3495 0.6989 N.1 1 UNL1 -0.1795 5 N 5.4662 0.6311 0.8227 N.pl3 2 UNL2 -0.0687 6 N 4.5106 0.1955 -1.3964 N.1 2 UNL2 -0.0827 7 C -1.3424 -1.5417 0.0936 C.1 1 UNL1 0.0142 8 C -2.6215 -1.9733 -0.1522 C.1 1 UNL1 0.1266 9 C -0.2088 -1.1534 0.2997 C.1 1 UNL1 0.0177 10 C 1.0736 -0.7167 0.5216 C.1 1 UNL1 0.1605 11 C -3.2011 1.9524 -0.0559 C.1 1 UNL1 0.6468 12 C 4.9890 0.4138 -0.2873 C.1 2 UNL2 0.1513 @BOND 1 6 12 3 2 2 11 2 3 3 8 3 4 12 5 1 5 8 7 1 6 11 1 2 7 7 9 3 8 9 10 1 9 10 4 3