mol="1L1" Charge="0"
lab="C17"	NH="0" 
lab="C18"	NH="1" 
lab="N19"	NH="1" 
lab="C20"	NH="2" 
lab="O21"	NH="0" 
lab="C22"	NH="2" 
lab="C23"	NH="2" 
lab="C24"	NH="2" 
lab="C25"	NH="1" 
lab="C26"	NH="2" 
lab="C27"	NH="2" 
lab="S28"	NH="0" 
lab="N29"	NH="2" 
lab="O30"	NH="0" 
lab="O31"	NH="0" 
lab="OXT"	NH="1" 
