mol="TQ4" Charge="0"
lab="C1"	NH="0" 
lab="C2"	NH="0" 
lab="C3"	NH="0" 
lab="N4"	NH="0" 
lab="C5"	NH="0" 
lab="N6"	NH="0" 
lab="N7"	NH="2" 
lab="C8"	NH="1" 
lab="C9"	NH="1" 
lab="C12"	NH="1" 
lab="C13"	NH="0" 
lab="N14"	NH="2" 
lab="S20"	NH="0" 
lab="C22"	NH="0" 
lab="C23"	NH="1" 
lab="C24"	NH="1" 
lab="C25"	NH="0" 
lab="C26"	NH="1" 
lab="C27"	NH="1" 
lab="C32"	NH="3" 
