@MOLECULE dimethylamino 3 2 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 0.0001 0.0002 0.0000 N.1 1 UNL1 -0.6240 2 C 1.2536 -0.0001 -0.0000 C.1 1 UNL1 0.3121 3 C -1.2537 -0.0001 -0.0000 C.3 1 UNL1 0.3119 @BOND 1 1 2 3 2 1 3 1