mol="CGT" Charge="0"
lab="C1"	NH="1" 
lab="S1"	NH="0" 
lab="C2"	NH="1" 
lab="O2"	NH="1" 
lab="C3"	NH="1" 
lab="O3"	NH="1" 
lab="C4"	NH="1" 
lab="O4"	NH="1" 
lab="C5"	NH="1" 
lab="C7"	NH="2" 
lab="C6"	NH="2" 
lab="O6"	NH="1" 
lab="CB"	NH="2" 
lab="CG"	NH="0" 
lab="CD1"	NH="1" 
lab="CD2"	NH="1" 
lab="CE1"	NH="1" 
lab="CE2"	NH="1" 
lab="CZ"	NH="1" 
lab="C13"	NH="0" 
lab="N17"	NH="0" 
lab="O18"	NH="0" 
lab="S19"	NH="0" 
lab="O20"	NH="0" 
lab="O21"	NH="0" 
lab="O22"	NH="1" 
