mol="N2D" Charge="0"
lab="C1"	NH="0" 
lab="C2"	NH="1" 
lab="CL2"	NH="0" 
lab="C3"	NH="0" 
lab="CL3"	NH="0" 
lab="C4"	NH="0" 
lab="C5"	NH="1" 
lab="C6"	NH="1" 
lab="N13"	NH="0" 
lab="C14"	NH="0" 
lab="N15"	NH="0" 
lab="C22"	NH="3" 
lab="O24"	NH="0" 
lab="C26"	NH="1" 
lab="C28"	NH="2" 
lab="C29"	NH="2" 
lab="N30"	NH="0" 
lab="C31"	NH="2" 
lab="C32"	NH="2" 
lab="C39"	NH="2" 
lab="C41"	NH="2" 
lab="C43"	NH="2" 
lab="N45"	NH="0" 
lab="N47"	NH="0" 
lab="C48"	NH="0" 
lab="C49"	NH="1" 
lab="C50"	NH="1" 
lab="C51"	NH="0" 
lab="C58"	NH="0" 
lab="C60"	NH="1" 
lab="C61"	NH="1" 
lab="C62"	NH="0" 
lab="C63"	NH="0" 
lab="C64"	NH="1" 
lab="O71"	NH="0" 
lab="C75"	NH="2" 
lab="N77"	NH="1" 
lab="C79"	NH="0" 
lab="C81"	NH="0" 
lab="C83"	NH="1" 
lab="C84"	NH="1" 
lab="C85"	NH="1" 
lab="C86"	NH="1" 
lab="C87"	NH="1" 
lab="O94"	NH="0" 
