mol="PYI" Charge="1"
lab="CM2"	NH="3" 
lab="C2A"	NH="0" 
lab="N1A"	NH="0" 
lab="C6A"	NH="1" 
lab="C5A"	NH="0" 
lab="C7A"	NH="2" 
lab="N3"	NH="0" 
lab="C2"	NH="1" 
lab="C1"	NH="1" 
lab="C6"	NH="1" 
lab="C5"	NH="0" 
lab="CM6"	NH="2" 
lab="CM7"	NH="2" 
lab="OM7"	NH="0" 
lab="PA"	NH="0" 
lab="O1A"	NH="0" 
lab="O2A"	NH="1" 
lab="O3A"	NH="0" 
lab="PB"	NH="0" 
lab="O1B"	NH="0" 
lab="O2B"	NH="1" 
lab="O3B"	NH="1" 
lab="C4"	NH="0" 
lab="CM4"	NH="3" 
lab="C4A"	NH="0" 
lab="N4A"	NH="2" 
lab="N3A"	NH="0" 
