mol="TCA" Charge="0"
lab="C1"	NH="0" 
lab="O"	NH="0" 
lab="OXT"	NH="1" 
lab="C2"	NH="1" 
lab="C3"	NH="1" 
lab="C31"	NH="0" 
lab="C32"	NH="1" 
lab="C33"	NH="1" 
lab="C34"	NH="1" 
lab="C35"	NH="1" 
lab="C36"	NH="1" 
