mol="S3F" Charge="0"
lab="S2"	NH="0" 
lab="FE2"	NH="0" 
lab="S3"	NH="0" 
lab="FE3"	NH="0" 
lab="S1"	NH="0" 
lab="FE1"	NH="0" 
lab="O1"	NH="0" 
lab="FE4"	NH="0" 
