mol="NPI" Charge="0"
lab="CA"	NH="1" 
lab="CB"	NH="2" 
lab="C4"	NH="2" 
lab="C5"	NH="2" 
lab="C6"	NH="2" 
lab="C"	NH="0" 
lab="O"	NH="0" 
lab="OXT"	NH="1" 
lab="N"	NH="2" 
lab="C7"	NH="0" 
lab="O71"	NH="0" 
lab="O72"	NH="1" 
