@<TRIPOS>MOLECULE
MG1
    1     0     1     0     0
SMALL
RESP Charge
 
 
@<TRIPOS>ATOM
      1 MG         12.5130   -4.2320  -14.1530 M1        1 MG1      0.843432
@<TRIPOS>BOND
@<TRIPOS>SUBSTRUCTURE
     1 MG1         1 TEMP              0 ****  ****    0 ROOT
