mol="J45" Charge="0"
lab="N1"	NH="0" 
lab="C2"	NH="1" 
lab="N3"	NH="0" 
lab="C4"	NH="0" 
lab="C5"	NH="0" 
lab="C6"	NH="0" 
lab="N7"	NH="1" 
lab="C8"	NH="0" 
lab="C9"	NH="1" 
lab="C10"	NH="1" 
lab="C11"	NH="0" 
lab="C12"	NH="1" 
lab="C13"	NH="1" 
lab="S14"	NH="0" 
lab="O15"	NH="0" 
lab="O16"	NH="0" 
lab="N17"	NH="2" 
lab="N18"	NH="0" 
lab="O19"	NH="0" 
lab="O20"	NH="0" 
lab="CL21"	NH="0" 
