@MOLECULE lithium hydroxide 3 2 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 H -1.2946 -0.0015 0.0000 H 1 UNL1 0.3815 2 O -0.4125 0.0001 -0.0000 O.3 1 UNL1 -1.2513 3 LI 1.1390 -0.0001 0.0000 Li 1 UNL1 0.8698 @BOND 1 1 2 1 2 2 3 1