mol="5XB"	Charge="0"
lab="C2"	NH="1"
lab="C4"	NH="1"
lab="C5"	NH="2"
lab="S1"	NH="0"
lab="O41"	NH="1"
lab="C4A"	NH="0"
lab="O42"	NH="0"
lab="C2A"	NH="0"
lab="O21"	NH="1"
lab="O22"	NH="0"
lab="N3"	NH="1"
lab="H1"	NH="0"
lab="H2"	NH="0"
lab="H3"	NH="0"
lab="H4"	NH="0"
lab="H5"	NH="0"
lab="H6"	NH="0"
lab="H7"	NH="0"
