mol="E18" Charge="0"
lab="O20"	NH="0" 
lab="S19"	NH="0" 
lab="O21"	NH="1" 
lab="O22"	NH="0" 
lab="O18"	NH="0" 
lab="N17"	NH="0" 
lab="C13"	NH="0" 
lab="S1"	NH="0" 
lab="C1"	NH="2" 
lab="C2"	NH="2" 
lab="N18"	NH="0" 
lab="C20"	NH="3" 
lab="C19"	NH="3" 
lab="CB"	NH="2" 
lab="CG"	NH="0" 
lab="CD2"	NH="1" 
lab="CE2"	NH="1" 
lab="CZ"	NH="1" 
lab="CE1"	NH="1" 
lab="CD1"	NH="1" 
