mol="X29" Charge="0"
lab="C01"	NH="0" 
lab="C02"	NH="1" 
lab="C03"	NH="1" 
lab="C04"	NH="1" 
lab="N05"	NH="0" 
lab="C06"	NH="0" 
lab="N07"	NH="0" 
lab="N08"	NH="0" 
lab="C09"	NH="0" 
lab="BR1"	NH="0" 
lab="C11"	NH="0" 
lab="C12"	NH="0" 
lab="C13"	NH="1" 
lab="C14"	NH="0" 
lab="C15"	NH="0" 
lab="C16"	NH="1" 
lab="O17"	NH="1" 
lab="O18"	NH="1" 
lab="CL1"	NH="0" 
