mol="CDH" Charge="0"
lab="O43"	NH="0" 
lab="C31"	NH="0" 
lab="O42"	NH="1" 
lab="C30"	NH="1" 
lab="C32"	NH="0" 
lab="C37"	NH="2" 
lab="C33"	NH="3" 
lab="N29"	NH="1" 
lab="C13"	NH="0" 
lab="O18"	NH="0" 
lab="C12"	NH="1" 
lab="C16"	NH="2" 
lab="S"	NH="1" 
lab="N30"	NH="1" 
lab="C25"	NH="0" 
lab="O25"	NH="0" 
lab="C24"	NH="2" 
lab="C23"	NH="2" 
lab="C22"	NH="2" 
lab="C21"	NH="1" 
lab="N31"	NH="2" 
lab="C20"	NH="0" 
lab="O20"	NH="0" 
lab="O21"	NH="1" 
