@MOLECULE methoxy 2 1 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4885 -0.0000 0.0000 O.2 1 UNL1 -0.4353 2 C -0.6507 0.0000 -0.0000 C.2 1 UNL1 0.4353 @BOND 1 1 2 2