mol="TNB" Charge="0"
lab="CA"	NH="1" 
lab="C"	NH="0" 
lab="O"	NH="0" 
lab="OXT"	NH="1" 
lab="N"	NH="2" 
lab="CB"	NH="2" 
lab="SG"	NH="0" 
lab="C1"	NH="0" 
lab="C2"	NH="0" 
lab="C3"	NH="1" 
lab="C4"	NH="0" 
lab="C5"	NH="1" 
lab="C6"	NH="0" 
lab="N2"	NH="0" 
lab="N4"	NH="0" 
lab="N6"	NH="0" 
lab="O21"	NH="0" 
lab="O22"	NH="0" 
lab="O41"	NH="0" 
lab="O42"	NH="0" 
lab="O61"	NH="0" 
lab="O62"	NH="0" 
