mol="TQZ" Charge="0"
lab="S4"	NH="1" 
lab="S3"	NH="0" 
lab="S2"	NH="0" 
lab="S1"	NH="0" 
lab="SG"	NH="0" 
lab="CB"	NH="2" 
lab="CA"	NH="1" 
lab="N"	NH="2" 
lab="C"	NH="0" 
lab="O"	NH="0" 
lab="OXT"	NH="1" 
