@MOLECULE (2s)-2,6-diammoniohexanoate 10 8 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.4265 1.9912 0.1910 O.2 1 UNL1 -0.2955 2 O -1.4651 0.8140 -0.2852 O.2 1 UNL1 -0.3717 3 N 4.5881 1.0253 0.0044 N.1 1 UNL1 -0.1612 4 N -2.1449 -2.4246 0.0066 N.1 1 UNL1 -0.1734 5 C 1.2255 -0.7041 0.0385 C.1 1 UNL1 0.0403 6 C 0.0941 -1.2741 0.0415 C.3 1 UNL1 0.0210 7 C 2.3494 -0.1251 0.0377 C.1 1 UNL1 -0.0037 8 C -1.1058 -1.8970 0.0221 C.1 1 UNL1 0.1425 9 C 3.5523 0.4911 0.0210 C.1 1 UNL1 0.1329 10 C -2.4486 1.4044 -0.0483 C.1 1 UNL1 0.6688 @BOND 1 2 10 2 2 10 1 2 3 3 9 3 4 4 8 3 5 9 7 1 6 8 6 1 7 7 5 3 8 5 6 1