mol="GBS" Charge="0"
lab="CD"	NH="0" 
lab="OD"	NH="0" 
lab="C1"	NH="0" 
lab="C21"	NH="1" 
lab="C22"	NH="1" 
lab="C31"	NH="1" 
lab="C32"	NH="1" 
lab="C4"	NH="0" 
lab="NE"	NH="1" 
lab="CZ"	NH="0" 
lab="NH1"	NH="2" 
lab="NH2"	NH="1" 
lab="OXT"	NH="1" 
