mol="30J" Charge="0"
lab="C2"	NH="0" 
lab="C3"	NH="1" 
lab="C42"	NH="0" 
lab="C44"	NH="1" 
lab="C46"	NH="0" 
lab="C47"	NH="1" 
lab="C49"	NH="1" 
lab="C51"	NH="0" 
lab="C53"	NH="3" 
lab="C11"	NH="1" 
lab="C13"	NH="1" 
lab="C15"	NH="2" 
lab="C18"	NH="0" 
lab="C19"	NH="1" 
lab="C21"	NH="1" 
lab="C23"	NH="1" 
lab="C25"	NH="1" 
lab="C27"	NH="1" 
lab="C30"	NH="2" 
lab="CL1"	NH="0" 
lab="C5"	NH="0" 
lab="C6"	NH="0" 
lab="N7"	NH="0" 
lab="N8"	NH="0" 
lab="C9"	NH="0" 
lab="C10"	NH="0" 
lab="N29"	NH="0" 
lab="C33"	NH="1" 
lab="N35"	NH="0" 
lab="C36"	NH="2" 
lab="C39"	NH="2" 
lab="N43"	NH="0" 
lab="N52"	NH="0" 
