mol="CQW" Charge="0"
lab="C7"	NH="0" 
lab="C9"	NH="1" 
lab="C13"	NH="0" 
lab="C21"	NH="0" 
lab="N5"	NH="1" 
lab="C18"	NH="2" 
lab="CL1"	NH="0" 
lab="C2"	NH="0" 
lab="C3"	NH="1" 
lab="N8"	NH="0" 
lab="C12"	NH="0" 
lab="N11"	NH="0" 
lab="N14"	NH="0" 
lab="C28"	NH="2" 
lab="C27"	NH="0" 
lab="N26"	NH="0" 
lab="C24"	NH="1" 
lab="N22"	NH="1" 
lab="C15"	NH="2" 
