mol="L88" Charge="0"
lab="O2"	NH="0" 
lab="C11"	NH="0" 
lab="C12"	NH="2" 
lab="C13"	NH="2" 
lab="C27"	NH="0" 
lab="C14"	NH="1" 
lab="C17"	NH="1" 
lab="C16"	NH="0" 
lab="C18"	NH="0" 
lab="S7"	NH="0" 
lab="C29"	NH="1" 
lab="C20"	NH="0" 
lab="C21"	NH="0" 
lab="C26"	NH="1" 
lab="C25"	NH="1" 
lab="C24"	NH="1" 
lab="C23"	NH="1" 
lab="C22"	NH="1" 
lab="C19"	NH="1" 
lab="C15"	NH="1" 
lab="C28"	NH="1" 
lab="N2"	NH="1" 
lab="C7"	NH="1" 
lab="C8"	NH="2" 
lab="C9"	NH="2" 
lab="C10"	NH="0" 
lab="O4"	NH="1" 
lab="O4E"	NH="0" 
lab="C6"	NH="0" 
lab="O1"	NH="0" 
lab="N1"	NH="1" 
lab="C53"	NH="2" 
lab="C54"	NH="2" 
lab="C55"	NH="2" 
lab="O56"	NH="0" 
lab="C57"	NH="2" 
lab="C58"	NH="2" 
lab="O67"	NH="0" 
lab="C68"	NH="2" 
lab="C69"	NH="2" 
lab="O70"	NH="0" 
lab="C71"	NH="2" 
lab="C72"	NH="2" 
lab="C73"	NH="2" 
lab="N74"	NH="1" 
lab="C75"	NH="0" 
lab="O77"	NH="0" 
lab="C76"	NH="1" 
lab="C78"	NH="2" 
lab="C83"	NH="2" 
lab="C79"	NH="0" 
lab="O80"	NH="0" 
lab="O81"	NH="1" 
lab="N82"	NH="1" 
lab="C84"	NH="0" 
lab="O85"	NH="0" 
lab="C86"	NH="2" 
lab="C5"	NH="2" 
lab="C87"	NH="0" 
lab="C88"	NH="1" 
lab="C89"	NH="1" 
lab="C90"	NH="0" 
lab="C91"	NH="1" 
lab="C92"	NH="1" 
lab="C93"	NH="0" 
lab="C94"	NH="1" 
lab="C95"	NH="0" 
lab="C96"	NH="1" 
lab="S97"	NH="0" 
lab="C98"	NH="0" 
lab="C99"	NH="1" 
lab="C1"	NH="1" 
lab="C2"	NH="1" 
lab="C3"	NH="1" 
lab="C4"	NH="1" 
