mol="DS4" Charge="0"
lab="C1"	NH="0" 
lab="C2"	NH="0" 
lab="C3"	NH="1" 
lab="C4"	NH="0" 
lab="C5"	NH="1" 
lab="C6"	NH="1" 
lab="C10"	NH="0" 
lab="C11"	NH="0" 
lab="C12"	NH="2" 
lab="C13"	NH="2" 
lab="C14"	NH="3" 
lab="C20"	NH="3" 
lab="C26"	NH="1" 
lab="C27"	NH="0" 
lab="C28"	NH="0" 
lab="C29"	NH="1" 
lab="C30"	NH="1" 
lab="C34"	NH="3" 
lab="C9"	NH="3" 
lab="C8"	NH="1" 
lab="C43"	NH="1" 
lab="C44"	NH="0" 
lab="O47"	NH="1" 
lab="C7"	NH="0" 
lab="F5"	NH="0" 
lab="C15"	NH="0" 
lab="F2"	NH="0" 
lab="F3"	NH="0" 
lab="F1"	NH="0" 
lab="F6"	NH="0" 
lab="F4"	NH="0" 
lab="C50"	NH="1" 
lab="C51"	NH="0" 
lab="C52"	NH="1" 
lab="C53"	NH="0" 
lab="C54"	NH="0" 
lab="C55"	NH="1" 
lab="C56"	NH="2" 
lab="C57"	NH="0" 
lab="O58"	NH="0" 
lab="O59"	NH="1" 
lab="F60"	NH="0" 
