mol="TPX" Charge="0"
lab="C"	NH="1" 
lab="CA"	NH="1" 
lab="CB"	NH="1" 
lab="CC"	NH="0" 
lab="CD"	NH="2" 
lab="CE"	NH="3" 
lab="O"	NH="0" 
lab="OA"	NH="1" 
lab="OB"	NH="0" 
lab="CK"	NH="2" 
lab="N"	NH="1" 
lab="OC"	NH="0" 
lab="OD"	NH="0" 
lab="S"	NH="0" 
lab="CF"	NH="0" 
lab="CG1"	NH="1" 
lab="CG2"	NH="1" 
lab="CH1"	NH="1" 
lab="CH2"	NH="1" 
lab="CI"	NH="0" 
lab="CJ"	NH="3" 
