mol="CXA" Charge="0"
lab="C1"	NH="0" 
lab="C2"	NH="1" 
lab="C3"	NH="1" 
lab="C4"	NH="1" 
lab="C5"	NH="1" 
lab="C6"	NH="1" 
lab="C12"	NH="2" 
lab="C13"	NH="1" 
lab="C14"	NH="0" 
lab="O15"	NH="1" 
lab="O16"	NH="0" 
lab="N17"	NH="1" 
lab="S18"	NH="0" 
lab="N19"	NH="2" 
lab="O20"	NH="0" 
lab="O21"	NH="0" 
