mol="PYX" Charge="0"
lab="N"	NH="2" 
lab="CA"	NH="1" 
lab="C"	NH="0" 
lab="O"	NH="0" 
lab="OXT"	NH="1" 
lab="CB"	NH="2" 
lab="SG"	NH="0" 
lab="SD"	NH="0" 
lab="CE"	NH="2" 
lab="C1"	NH="0" 
lab="C2"	NH="1" 
lab="C6"	NH="0" 
lab="N3"	NH="0" 
lab="C5"	NH="0" 
lab="CM6"	NH="2" 
lab="C4"	NH="0" 
lab="O5"	NH="1" 
lab="N6"	NH="2" 
lab="CM4"	NH="3" 
