mol="1E6" Charge="0"
lab="C1"	NH="0" 
lab="C2"	NH="0" 
lab="O3"	NH="1" 
lab="O4"	NH="0" 
lab="C5"	NH="1" 
lab="N6"	NH="0" 
lab="C7"	NH="0" 
lab="C8"	NH="1" 
lab="C9"	NH="1" 
lab="S10"	NH="0" 
lab="C11"	NH="2" 
lab="C12"	NH="0" 
lab="N15"	NH="1" 
lab="C16"	NH="0" 
lab="C17"	NH="1" 
lab="C18"	NH="0" 
lab="C19"	NH="0" 
lab="C20"	NH="1" 
lab="C21"	NH="0" 
lab="O22"	NH="0" 
lab="C23"	NH="2" 
lab="C24"	NH="1" 
lab="C27"	NH="2" 
lab="O28"	NH="1" 
lab="CL3"	NH="0" 
lab="O37"	NH="0" 
lab="C38"	NH="3" 
lab="O43"	NH="0" 
lab="O44"	NH="1" 
