@MOLECULE 2-methoxyethanolate 5 4 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.3366 0.0002 0.0000 O.3 1 UNL1 0.0483 2 O -2.3541 -0.0003 -0.0000 O.3 1 UNL1 -0.3745 3 C 0.0695 0.0005 0.0000 C.1 1 UNL1 -0.7328 4 C -1.1820 0.0001 0.0000 C.1 1 UNL1 0.5857 5 C 2.4679 -0.0005 -0.0000 C.3 1 UNL1 0.4732 @BOND 1 1 3 1 2 1 5 1 3 2 4 1 4 3 4 3