mol="X89" Charge="0"
lab="O"	NH="0" 
lab="C1"	NH="2" 
lab="N1"	NH="0" 
lab="C2"	NH="1" 
lab="N3"	NH="0" 
lab="C4"	NH="1" 
lab="C5"	NH="1" 
lab="CL2A"	NH="0" 
lab="CL2B"	NH="0" 
lab="CL4A"	NH="0" 
lab="CL4B"	NH="0" 
lab="C1A"	NH="0" 
lab="C1B"	NH="0" 
lab="C2A"	NH="0" 
lab="C2B"	NH="0" 
lab="C3A"	NH="1" 
lab="C3B"	NH="1" 
lab="C4A"	NH="0" 
lab="C4B"	NH="0" 
lab="C5A"	NH="1" 
lab="C5B"	NH="1" 
lab="C6A"	NH="1" 
lab="C6B"	NH="1" 
lab="CBA"	NH="1" 
lab="CBB"	NH="2" 
