mol="DIQ" Charge="0"
lab="N1"	NH="0" 
lab="CM"	NH="3" 
lab="C2"	NH="1" 
lab="C"	NH="0" 
lab="O"	NH="0" 
lab="C3"	NH="2" 
lab="C3A"	NH="1" 
lab="C4"	NH="2" 
lab="C5"	NH="2" 
lab="C6"	NH="2" 
lab="C7"	NH="2" 
lab="C7A"	NH="1" 
lab="C8"	NH="2" 
lab="OXT"	NH="1" 
