mol="1X7" Charge="0"
lab="C1"	NH="1" 
lab="C2"	NH="0" 
lab="C3"	NH="0" 
lab="N6"	NH="0" 
lab="C7"	NH="0" 
lab="C9"	NH="0" 
lab="C13"	NH="0" 
lab="C4"	NH="0" 
lab="C5"	NH="1" 
lab="N8"	NH="2" 
lab="O10"	NH="0" 
lab="N11"	NH="2" 
lab="S12"	NH="0" 
lab="BR1"	NH="0" 
