@MOLECULE zinc dihydrate 3 1 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 ZN -1.3812 0.0004 -0.0000 Zn 1 UNL1 -0.0000 2 O 2.8161 -0.5679 -0.0000 O.2 2 UNL2 0.0000 3 O 2.8282 0.5663 0.0000 O.2 2 UNL2 -0.0000 @BOND 1 2 3 2