mol="THZ" Charge="0"
lab="C"	NH="0" 
lab="N"	NH="2" 
lab="O"	NH="0" 
lab="S1"	NH="0" 
lab="CA"	NH="1" 
lab="CB"	NH="2" 
lab="CD"	NH="2" 
lab="NE"	NH="1" 
lab="CG"	NH="2" 
lab="CZ"	NH="0" 
lab="N11"	NH="0" 
lab="C17"	NH="0" 
lab="C21"	NH="0" 
lab="C31"	NH="1" 
lab="C41"	NH="1" 
lab="C51"	NH="1" 
lab="C61"	NH="1" 
lab="C71"	NH="0" 
lab="NH1"	NH="1" 
lab="NH2"	NH="2" 
