@MOLECULE phosphinate 3 2 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -0.0000 -0.2485 -0.0000 P.3 1 UNL1 0.3443 2 O 1.3707 0.2406 0.0000 O.3 1 UNL1 -0.1722 3 O -1.3707 0.2406 0.0000 O.2 1 UNL1 -0.1721 @BOND 1 1 2 1 2 1 3 2