mol="TDB" Charge="0"
lab="S1"	NH="0" 
lab="C7"	NH="0" 
lab="C8"	NH="3" 
lab="C12"	NH="1" 
lab="C13"	NH="0" 
lab="C14"	NH="0" 
lab="C2"	NH="1" 
lab="N2"	NH="0" 
lab="N1"	NH="0" 
lab="B1"	NH="0" 
lab="O1"	NH="1" 
lab="S15"	NH="0" 
lab="O15"	NH="0" 
lab="O16"	NH="0" 
lab="C15"	NH="2" 
lab="C16"	NH="2" 
lab="C17"	NH="3" 
