mol="0TJ" Charge="0"
lab="BR1"	NH="0" 
lab="CAM"	NH="0" 
lab="CAK"	NH="0" 
lab="BR2"	NH="0" 
lab="CAL"	NH="0" 
lab="BR3"	NH="0" 
lab="CAN"	NH="0" 
lab="BR4"	NH="0" 
lab="CAP"	NH="0" 
lab="CAO"	NH="0" 
lab="NAI"	NH="0" 
lab="CAG"	NH="1" 
lab="N"	NH="0" 
lab="CA"	NH="2" 
lab="C"	NH="0" 
lab="O"	NH="0" 
lab="NAA"	NH="1" 
lab="C1"	NH="2" 
lab="C2"	NH="2" 
lab="C3"	NH="2" 
lab="C4"	NH="2" 
lab="C5"	NH="2" 
lab="C6"	NH="1" 
lab="O1"	NH="0" 
