mol="654" Charge="0"
lab="S1T"	NH="0" 
lab="C2T"	NH="0" 
lab="C3T"	NH="1" 
lab="C4T"	NH="1" 
lab="C5T"	NH="1" 
lab="C1I"	NH="0" 
lab="N2I"	NH="0" 
lab="C3I"	NH="1" 
lab="N4I"	NH="0" 
lab="C5I"	NH="1" 
lab="C1"	NH="2" 
lab="C2"	NH="0" 
lab="C3"	NH="1" 
lab="C4"	NH="1" 
lab="C5"	NH="1" 
lab="C6"	NH="1" 
lab="C7"	NH="0" 
lab="C8"	NH="3" 
