@MOLECULE carbon monosulfide 2 1 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.4119 -0.0000 0.0000 S.3 1 UNL1 -0.3426 2 C -1.0995 0.0000 -0.0000 C.1 1 UNL1 0.3426 @BOND 1 1 2 3