mol="2JE" Charge="0"
lab="C4"	NH="1" 
lab="N3"	NH="1" 
lab="C2"	NH="1" 
lab="N4"	NH="0" 
lab="C5"	NH="0" 
lab="O6"	NH="0" 
lab="C22"	NH="0" 
lab="S1"	NH="0" 
lab="C11"	NH="2" 
lab="C12"	NH="2" 
lab="N1"	NH="2" 
