mol="PTV" Charge="0"
lab="C3"	NH="1" 
lab="C2"	NH="1" 
lab="C1"	NH="1" 
lab="S20"	NH="0" 
lab="C15"	NH="0" 
lab="C14"	NH="0" 
lab="O16"	NH="0" 
lab="C4"	NH="2" 
lab="S11"	NH="0" 
lab="C19"	NH="0" 
lab="N13"	NH="0" 
lab="N18"	NH="0" 
lab="N17"	NH="1" 
lab="C10"	NH="0" 
lab="C9"	NH="0" 
lab="C5"	NH="1" 
lab="C6"	NH="1" 
lab="N12"	NH="0" 
lab="C7"	NH="1" 
lab="C8"	NH="1" 
