mol="TBA" Charge="1"
lab="N1"	NH="0" 
lab="C11"	NH="2" 
lab="C12"	NH="2" 
lab="C21"	NH="2" 
lab="C22"	NH="2" 
lab="C31"	NH="2" 
lab="C32"	NH="2" 
lab="C41"	NH="2" 
lab="C42"	NH="2" 
lab="C13"	NH="2" 
lab="C14"	NH="3" 
lab="C23"	NH="2" 
lab="C24"	NH="3" 
lab="C33"	NH="2" 
lab="C34"	NH="3" 
lab="C43"	NH="2" 
lab="C44"	NH="3" 
