mol="3S3" Charge="1"
lab="OAK"	NH="0" 
lab="CAI"	NH="0" 
lab="CAG"	NH="1" 
lab="CAF"	NH="0" 
lab="CAA"	NH="1" 
lab="CAB"	NH="1" 
lab="CAC"	NH="1" 
lab="CAD"	NH="1" 
lab="CAE"	NH="1" 
lab="NAH"	NH="3" 
lab="N"	NH="1" 
lab="CA"	NH="1" 
lab="C"	NH="0" 
lab="OXT"	NH="0" 
lab="O"	NH="1" 
lab="CB"	NH="1" 
lab="NAQ"	NH="0" 
lab="SAU"	NH="0" 
lab="CAT"	NH="2" 
lab="CAS"	NH="1" 
lab="CAY"	NH="3" 
lab="CAR"	NH="0" 
lab="CAV"	NH="0" 
lab="OAW"	NH="1" 
lab="OAX"	NH="0" 
