mol="BCH" Charge="1"
lab="C21"	NH="3" 
lab="C20"	NH="2" 
lab="C19"	NH="2" 
lab="C18"	NH="0" 
lab="O12"	NH="0" 
lab="S17"	NH="0" 
lab="C16"	NH="2" 
lab="C15"	NH="2" 
lab="N14"	NH="0" 
lab="C13"	NH="3" 
lab="C22"	NH="3" 
lab="C11"	NH="3" 
