mol="MP2" Charge="0"
lab="O20"	NH="0" 
lab="C19"	NH="0" 
lab="N18"	NH="1" 
lab="C15"	NH="1" 
lab="C17"	NH="2" 
lab="S21"	NH="1" 
lab="C13"	NH="0" 
lab="O14"	NH="0" 
lab="N"	NH="1" 
lab="CA"	NH="2" 
lab="C"	NH="0" 
lab="O1"	NH="1" 
lab="O2"	NH="0" 
lab="O22"	NH="0" 
lab="C23"	NH="2" 
lab="C24"	NH="0" 
lab="C29"	NH="1" 
lab="C28"	NH="1" 
lab="C27"	NH="1" 
lab="C26"	NH="1" 
lab="C25"	NH="1" 
