mol="TZB" Charge="0"
lab="C31"	NH="1" 
lab="C41"	NH="3" 
lab="C21"	NH="0" 
lab="N"	NH="2" 
lab="C2"	NH="0" 
lab="S6"	NH="0" 
lab="C4"	NH="2" 
lab="C5"	NH="1" 
lab="O7"	NH="0" 
lab="C6"	NH="0" 
lab="N1"	NH="0" 
lab="O71"	NH="1" 
