mol="SCR" Charge="0"
lab="C1"	NH="1" 
lab="C2"	NH="1" 
lab="C3"	NH="1" 
lab="C4"	NH="1" 
lab="C5"	NH="1" 
lab="C6"	NH="2" 
lab="C11"	NH="2" 
lab="C12"	NH="0" 
lab="C13"	NH="1" 
lab="C14"	NH="1" 
lab="C15"	NH="1" 
lab="C16"	NH="2" 
lab="O1"	NH="0" 
lab="O2"	NH="0" 
lab="O22"	NH="0" 
lab="O23"	NH="0" 
lab="O24"	NH="1" 
lab="O3"	NH="0" 
lab="O32"	NH="0" 
lab="O33"	NH="0" 
lab="O34"	NH="1" 
lab="O4"	NH="0" 
lab="O42"	NH="0" 
lab="O43"	NH="0" 
lab="O44"	NH="1" 
lab="O5"	NH="0" 
lab="O6"	NH="0" 
lab="O62"	NH="0" 
lab="O63"	NH="0" 
lab="O64"	NH="1" 
lab="O10"	NH="0" 
lab="O51"	NH="0" 
lab="O52"	NH="0" 
lab="O53"	NH="0" 
lab="O54"	NH="1" 
lab="O71"	NH="0" 
lab="O72"	NH="0" 
lab="O73"	NH="0" 
lab="O74"	NH="1" 
lab="O81"	NH="0" 
lab="O82"	NH="0" 
lab="O83"	NH="0" 
lab="O84"	NH="1" 
lab="O91"	NH="0" 
lab="O92"	NH="0" 
lab="O93"	NH="0" 
lab="O94"	NH="1" 
lab="S2"	NH="0" 
lab="S3"	NH="0" 
lab="S4"	NH="0" 
lab="S6"	NH="0" 
lab="S11"	NH="0" 
lab="S12"	NH="0" 
lab="S13"	NH="0" 
lab="S14"	NH="0" 
