<?xml version="1.0" ?>
<stdLib>
    <group identity="1AMP_OH">
        <fragment identity="ASPARTIC ACID" symbol="AS1" code="AA94LAS1" type="l">
            <atom identity=" N  " index="1" type="N" chain="M" atmCharge="-0.5163" bond12="-1" bondLength="1.335" bond13="-2" bondAngle="116.6" bond14="-3" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" H  " index="2" type="H" chain="E" atmCharge="0.2936" bond12="1" bondLength="1.01" bond13="-1" bondAngle="119.8" bond14="-2" bondTorsion="0" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CA " index="3" type="CT" chain="M" atmCharge="0.0381" bond12="1" bondLength="1.449" bond13="-1" bondAngle="121.9" bond14="-2" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HA " index="4" type="H1" chain="E" atmCharge="0.088" bond12="3" bondLength="1.09" bond13="1" bondAngle="109.5" bond14="-1" bondTorsion="300" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CB " index="5" type="CT" chain="3" atmCharge="0.348098" bond12="3" bondLength="1.525" bond13="1" bondAngle="111.1" bond14="-1" bondTorsion="60" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HB2" index="6" type="HC" chain="E" atmCharge="-0.073079" bond12="5" bondLength="1.09" bond13="3" bondAngle="109.5" bond14="1" bondTorsion="300" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HB3" index="7" type="HC" chain="E" atmCharge="-0.073079" bond12="5" bondLength="1.09" bond13="3" bondAngle="109.5" bond14="1" bondTorsion="60" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CG " index="8" type="C" chain="B" atmCharge="0.643475" bond12="5" bondLength="1.527" bond13="3" bondAngle="109.47" bond14="1" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" OD1" index="9" type="OA" chain="E" atmCharge="-0.641521" bond12="8" bondLength="1.26" bond13="5" bondAngle="117.2" bond14="3" bondTorsion="90" kind="0" bType="5" bTop="0" bKind="0" />
            <atom identity=" OD2" index="10" type="OA" chain="E" atmCharge="-0.641521" bond12="8" bondLength="1.26" bond13="5" bondAngle="117.2" bond14="3" bondTorsion="270" kind="0" bType="5" bTop="0" bKind="0" />
            <atom identity=" C  " index="11" type="C" chain="M" atmCharge="0.5366" bond12="3" bondLength="1.522" bond13="1" bondAngle="111.1" bond14="-1" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" O  " index="12" type="O" chain="E" atmCharge="-0.5819" bond12="11" bondLength="1.229" bond13="3" bondAngle="120.5" bond14="1" bondTorsion="0" kind="0" bType="2" bTop="0" bKind="0" />
            <alias original=" N  " alias=" N1 " />
            <alias original=" H  " alias=" H1 " />
            <alias original=" C  " alias=" C1 " />
            <alias original=" O  " alias=" O1 " />
            <alias original=" N  " alias="N   " />
            <alias original=" H  " alias="HN  " />
            <alias original=" H  " alias=" HN " />
            <alias original=" H  " alias="H   " />
            <alias original=" CA " alias="CA  " />
            <alias original=" HA " alias="HA  " />
            <alias original=" CB " alias="CB  " />
            <alias original=" HB2" alias="HB2 " />
            <alias original=" HB2" alias="2HB " />
            <alias original=" HB3" alias="HB3 " />
            <alias original=" HB3" alias="3HB " />
            <alias original=" CG " alias="CG  " />
            <alias original=" OD1" alias="OD1 " />
            <alias original=" OD2" alias="OD2 " />
            <alias original=" C  " alias="C   " />
            <alias original=" O  " alias="O1  " />
            <alias original=" O  " alias="O   " />
            <improper Atom1="13324544" Atom2="3" Atom3="1" Atom4="2" />
            <improper Atom1="3" Atom2="-4" Atom3="11" Atom4="12" />
            <improper Atom1="5" Atom2="9" Atom3="8" Atom4="10" />
            <feature identity="NCC" atoms="8 9 10 " />
            <feature identity="HBD" atoms="1 " />
            <feature identity="HBA" atoms="9 " />
            <feature identity="HBA" atoms="10 " />
            <feature identity="HBA" atoms="12 " />
        </fragment>
        <fragment identity="HISTIDINE DELTAH" symbol="HD1" code="AA94LHD1" type="l">
            <atom identity=" N  " index="1" type="N" chain="M" atmCharge="-0.4157" bond12="-1" bondLength="1.335" bond13="-2" bondAngle="116.6" bond14="-3" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" H  " index="2" type="H" chain="E" atmCharge="0.2719" bond12="1" bondLength="1.01" bond13="-1" bondAngle="119.8" bond14="-2" bondTorsion="0" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CA " index="3" type="CT" chain="M" atmCharge="0.0188" bond12="1" bondLength="1.449" bond13="-1" bondAngle="121.9" bond14="-2" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HA " index="4" type="H1" chain="E" atmCharge="0.0881" bond12="3" bondLength="1.09" bond13="1" bondAngle="109.5" bond14="-1" bondTorsion="300" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CB " index="5" type="CT" chain="3" atmCharge="-0.169682" bond12="3" bondLength="1.525" bond13="1" bondAngle="111.1" bond14="-1" bondTorsion="60" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HB2" index="6" type="HC" chain="E" atmCharge="0.112928" bond12="5" bondLength="1.09" bond13="3" bondAngle="109.5" bond14="1" bondTorsion="300" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HB3" index="7" type="HC" chain="E" atmCharge="0.112928" bond12="5" bondLength="1.09" bond13="3" bondAngle="109.5" bond14="1" bondTorsion="60" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CG " index="8" type="CC" chain="S" atmCharge="0.018756" bond12="5" bondLength="1.51" bond13="3" bondAngle="115" bond14="1" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" ND1" index="9" type="NA" chain="B" atmCharge="-0.062337" bond12="8" bondLength="1.39" bond13="5" bondAngle="122" bond14="3" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HD1" index="10" type="H" chain="E" atmCharge="0.260471" bond12="9" bondLength="1.01" bond13="8" bondAngle="126" bond14="5" bondTorsion="0" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CE1" index="11" type="CR" chain="B" atmCharge="0.091808" bond12="9" bondLength="1.32" bond13="8" bondAngle="108" bond14="5" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HE1" index="12" type="H5" chain="E" atmCharge="0.136691" bond12="11" bondLength="1.09" bond13="9" bondAngle="120" bond14="8" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" NE2" index="13" type="NB" chain="S" atmCharge="-0.477547" bond12="11" bondLength="1.31" bond13="9" bondAngle="109" bond14="8" bondTorsion="0" kind="0" bType="2" bTop="0" bKind="0" />
            <atom identity=" CD2" index="14" type="CV" chain="S" atmCharge="0.040806" bond12="13" bondLength="1.36" bond13="11" bondAngle="110" bond14="9" bondTorsion="0" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HD2" index="15" type="H4" chain="E" atmCharge="0.094108" bond12="14" bondLength="1.09" bond13="13" bondAngle="120" bond14="11" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" C  " index="16" type="C" chain="M" atmCharge="0.5973" bond12="3" bondLength="1.522" bond13="1" bondAngle="111.1" bond14="-1" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" O  " index="17" type="O" chain="E" atmCharge="-0.5679" bond12="16" bondLength="1.229" bond13="3" bondAngle="120.5" bond14="1" bondTorsion="0" kind="0" bType="2" bTop="0" bKind="0" />
            <loop Atom1="8" Atom2="14" bType="2" bStereo="0" />
            <alias original=" N  " alias=" N1 " />
            <alias original=" H  " alias=" H1 " />
            <alias original=" C  " alias=" C1 " />
            <alias original=" O  " alias=" O1 " />
            <alias original=" N  " alias="N   " />
            <alias original=" H  " alias="HN  " />
            <alias original=" H  " alias=" HN " />
            <alias original=" H  " alias="H   " />
            <alias original=" CA " alias="CA  " />
            <alias original=" HA " alias="HA  " />
            <alias original=" CB " alias="CB  " />
            <alias original=" HB2" alias="HB2 " />
            <alias original=" HB2" alias="2HB " />
            <alias original=" HB3" alias="HB3 " />
            <alias original=" HB3" alias="3HB " />
            <alias original=" CG " alias="CG  " />
            <alias original=" ND1" alias="ND1 " />
            <alias original=" HD1" alias="1HD " />
            <alias original=" HD1" alias="HD1 " />
            <alias original=" CE1" alias="CE1 " />
            <alias original=" HE1" alias="HE1 " />
            <alias original=" HE1" alias="1HE " />
            <alias original=" NE2" alias="NE2 " />
            <alias original=" CD2" alias="CD2 " />
            <alias original=" HD2" alias="HD2 " />
            <alias original=" C  " alias="C   " />
            <alias original=" O  " alias="O1  " />
            <alias original=" O  " alias="O   " />
            <improper Atom1="7874976" Atom2="3" Atom3="1" Atom4="2" />
            <improper Atom1="3" Atom2="-4" Atom3="16" Atom4="17" />
            <improper Atom1="8" Atom2="11" Atom3="9" Atom4="10" />
            <improper Atom1="8" Atom2="13" Atom3="14" Atom4="15" />
            <improper Atom1="9" Atom2="13" Atom3="11" Atom4="12" />
            <improper Atom1="9" Atom2="14" Atom3="8" Atom4="5" />
            <ring size="5" planar="1" aromatic="1" hetero="1" nHetero="2" nNitrogen="2" nOxygen="0" nSulfur="0" atoms="8 9 11 13 14 " />
            <feature identity="PIC" atoms="8 9 11 13 14 " />
            <feature identity="HBD" atoms="9 " />
            <feature identity="HBA" atoms="13 " />
            <feature identity="HBD" atoms="1 " />
            <feature identity="HBA" atoms="17 " />
        </fragment>
        <fragment identity="GLUTAMIC ACID" symbol="GL1" code="AA94LGL1" type="l">
            <atom identity=" N  " index="1" type="N" chain="M" atmCharge="-0.5163" bond12="-1" bondLength="1.335" bond13="-2" bondAngle="116.6" bond14="-3" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" H  " index="2" type="H" chain="E" atmCharge="0.2936" bond12="1" bondLength="1.01" bond13="-1" bondAngle="119.8" bond14="-2" bondTorsion="0" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CA " index="3" type="CT" chain="M" atmCharge="0.0397" bond12="1" bondLength="1.449" bond13="-1" bondAngle="121.9" bond14="-2" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HA " index="4" type="H1" chain="E" atmCharge="0.1105" bond12="3" bondLength="1.09" bond13="1" bondAngle="109.5" bond14="-1" bondTorsion="300" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CB " index="5" type="CT" chain="3" atmCharge="0.010122" bond12="3" bondLength="1.525" bond13="1" bondAngle="111.1" bond14="-1" bondTorsion="60" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HB2" index="6" type="HC" chain="E" atmCharge="0.020769" bond12="5" bondLength="1.09" bond13="3" bondAngle="109.5" bond14="1" bondTorsion="300" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HB3" index="7" type="HC" chain="E" atmCharge="0.020769" bond12="5" bondLength="1.09" bond13="3" bondAngle="109.5" bond14="1" bondTorsion="60" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CG " index="8" type="CT" chain="3" atmCharge="0.313152" bond12="5" bondLength="1.51" bond13="3" bondAngle="109.47" bond14="1" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HG2" index="9" type="HC" chain="E" atmCharge="-0.138732" bond12="8" bondLength="1.09" bond13="5" bondAngle="109.5" bond14="3" bondTorsion="300" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HG3" index="10" type="HC" chain="E" atmCharge="-0.138732" bond12="8" bondLength="1.09" bond13="5" bondAngle="109.5" bond14="3" bondTorsion="60" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CD " index="11" type="C" chain="B" atmCharge="0.599213" bond12="8" bondLength="1.527" bond13="5" bondAngle="109.47" bond14="3" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" OE1" index="12" type="OB" chain="E" atmCharge="-0.650453" bond12="11" bondLength="1.26" bond13="8" bondAngle="117.2" bond14="5" bondTorsion="90" kind="0" bType="5" bTop="0" bKind="0" />
            <atom identity=" OE2" index="13" type="OB" chain="E" atmCharge="-0.650453" bond12="11" bondLength="1.26" bond13="8" bondAngle="117.2" bond14="5" bondTorsion="270" kind="0" bType="5" bTop="0" bKind="0" />
            <atom identity=" C  " index="14" type="C" chain="M" atmCharge="0.5366" bond12="3" bondLength="1.522" bond13="1" bondAngle="111.1" bond14="-1" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" O  " index="15" type="O" chain="E" atmCharge="-0.5819" bond12="14" bondLength="1.229" bond13="3" bondAngle="120.5" bond14="1" bondTorsion="0" kind="0" bType="2" bTop="0" bKind="0" />
            <alias original=" N  " alias=" N1 " />
            <alias original=" H  " alias=" H1 " />
            <alias original=" C  " alias=" C1 " />
            <alias original=" O  " alias=" O1 " />
            <alias original=" N  " alias="N   " />
            <alias original=" H  " alias="HN  " />
            <alias original=" H  " alias=" HN " />
            <alias original=" H  " alias="H   " />
            <alias original=" CA " alias="CA  " />
            <alias original=" HA " alias="HA  " />
            <alias original=" CB " alias="CB  " />
            <alias original=" HB2" alias="HB2 " />
            <alias original=" HB2" alias="2HB " />
            <alias original=" HB3" alias="HB3 " />
            <alias original=" HB3" alias="3HB " />
            <alias original=" CG " alias="CG  " />
            <alias original=" HG2" alias="HG2 " />
            <alias original=" HG2" alias="2HG " />
            <alias original=" HG3" alias="HG3 " />
            <alias original=" HG3" alias="3HG " />
            <alias original=" CD " alias="CD  " />
            <alias original=" OE1" alias="OE1 " />
            <alias original=" OE2" alias="OE2 " />
            <alias original=" C  " alias="C   " />
            <alias original=" O  " alias="O1  " />
            <alias original=" O  " alias="O   " />
            <improper Atom1="7943152" Atom2="3" Atom3="1" Atom4="2" />
            <improper Atom1="3" Atom2="-4" Atom3="14" Atom4="15" />
            <improper Atom1="8" Atom2="12" Atom3="11" Atom4="13" />
            <feature identity="NCC" atoms="11 12 13 " />
            <feature identity="HBD" atoms="1 " />
            <feature identity="HBA" atoms="12 " />
            <feature identity="HBA" atoms="13 " />
            <feature identity="HBA" atoms="15 " />
        </fragment>
        <fragment identity="HISTIDINE DELTAH" symbol="HD2" code="AA94LHD2" type="l">
            <atom identity=" N  " index="1" type="N" chain="M" atmCharge="-0.4157" bond12="-1" bondLength="1.335" bond13="-2" bondAngle="116.6" bond14="-3" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" H  " index="2" type="H" chain="E" atmCharge="0.2719" bond12="1" bondLength="1.01" bond13="-1" bondAngle="119.8" bond14="-2" bondTorsion="0" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CA " index="3" type="CT" chain="M" atmCharge="0.0188" bond12="1" bondLength="1.449" bond13="-1" bondAngle="121.9" bond14="-2" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HA " index="4" type="H1" chain="E" atmCharge="0.0881" bond12="3" bondLength="1.09" bond13="1" bondAngle="109.5" bond14="-1" bondTorsion="300" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CB " index="5" type="CT" chain="3" atmCharge="-0.169682" bond12="3" bondLength="1.525" bond13="1" bondAngle="111.1" bond14="-1" bondTorsion="60" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HB2" index="6" type="HC" chain="E" atmCharge="0.112928" bond12="5" bondLength="1.09" bond13="3" bondAngle="109.5" bond14="1" bondTorsion="300" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HB3" index="7" type="HC" chain="E" atmCharge="0.112928" bond12="5" bondLength="1.09" bond13="3" bondAngle="109.5" bond14="1" bondTorsion="60" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CG " index="8" type="CC" chain="S" atmCharge="0.018756" bond12="5" bondLength="1.51" bond13="3" bondAngle="115" bond14="1" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" ND1" index="9" type="NA" chain="B" atmCharge="-0.062337" bond12="8" bondLength="1.39" bond13="5" bondAngle="122" bond14="3" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HD1" index="10" type="H" chain="E" atmCharge="0.260471" bond12="9" bondLength="1.01" bond13="8" bondAngle="126" bond14="5" bondTorsion="0" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CE1" index="11" type="CR" chain="B" atmCharge="0.091808" bond12="9" bondLength="1.32" bond13="8" bondAngle="108" bond14="5" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HE1" index="12" type="H5" chain="E" atmCharge="0.136691" bond12="11" bondLength="1.09" bond13="9" bondAngle="120" bond14="8" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" NE2" index="13" type="NB" chain="S" atmCharge="-0.477547" bond12="11" bondLength="1.31" bond13="9" bondAngle="109" bond14="8" bondTorsion="0" kind="0" bType="2" bTop="0" bKind="0" />
            <atom identity=" CD2" index="14" type="CV" chain="S" atmCharge="0.040806" bond12="13" bondLength="1.36" bond13="11" bondAngle="110" bond14="9" bondTorsion="0" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HD2" index="15" type="H4" chain="E" atmCharge="0.094108" bond12="14" bondLength="1.09" bond13="13" bondAngle="120" bond14="11" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" C  " index="16" type="C" chain="M" atmCharge="0.5973" bond12="3" bondLength="1.522" bond13="1" bondAngle="111.1" bond14="-1" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" O  " index="17" type="O" chain="E" atmCharge="-0.5679" bond12="16" bondLength="1.229" bond13="3" bondAngle="120.5" bond14="1" bondTorsion="0" kind="0" bType="2" bTop="0" bKind="0" />
            <loop Atom1="8" Atom2="14" bType="2" bStereo="0" />
            <alias original=" N  " alias=" N1 " />
            <alias original=" H  " alias=" H1 " />
            <alias original=" C  " alias=" C1 " />
            <alias original=" O  " alias=" O1 " />
            <alias original=" N  " alias="N   " />
            <alias original=" H  " alias="HN  " />
            <alias original=" H  " alias=" HN " />
            <alias original=" H  " alias="H   " />
            <alias original=" CA " alias="CA  " />
            <alias original=" HA " alias="HA  " />
            <alias original=" CB " alias="CB  " />
            <alias original=" HB2" alias="HB2 " />
            <alias original=" HB2" alias="2HB " />
            <alias original=" HB3" alias="HB3 " />
            <alias original=" HB3" alias="3HB " />
            <alias original=" CG " alias="CG  " />
            <alias original=" ND1" alias="ND1 " />
            <alias original=" HD1" alias="1HD " />
            <alias original=" HD1" alias="HD1 " />
            <alias original=" CE1" alias="CE1 " />
            <alias original=" HE1" alias="HE1 " />
            <alias original=" HE1" alias="1HE " />
            <alias original=" NE2" alias="NE2 " />
            <alias original=" CD2" alias="CD2 " />
            <alias original=" HD2" alias="HD2 " />
            <alias original=" C  " alias="C   " />
            <alias original=" O  " alias="O1  " />
            <alias original=" O  " alias="O   " />
            <improper Atom1="8716304" Atom2="3" Atom3="1" Atom4="2" />
            <improper Atom1="3" Atom2="-4" Atom3="16" Atom4="17" />
            <improper Atom1="8" Atom2="11" Atom3="9" Atom4="10" />
            <improper Atom1="8" Atom2="13" Atom3="14" Atom4="15" />
            <improper Atom1="9" Atom2="13" Atom3="11" Atom4="12" />
            <improper Atom1="9" Atom2="14" Atom3="8" Atom4="5" />
            <ring size="5" planar="1" aromatic="1" hetero="1" nHetero="2" nNitrogen="2" nOxygen="0" nSulfur="0" atoms="8 9 11 13 14 " />
            <feature identity="PIC" atoms="8 9 11 13 14 " />
            <feature identity="HBD" atoms="9 " />
            <feature identity="HBA" atoms="13 " />
            <feature identity="HBD" atoms="1 " />
            <feature identity="HBA" atoms="17 " />
        </fragment>
        <fragment identity="ASPARTIC ACID" symbol="AS2" code="AA94LAS2" type="l">
            <atom identity=" N  " index="1" type="N" chain="M" atmCharge="-0.5163" bond12="-1" bondLength="1.335" bond13="-2" bondAngle="116.6" bond14="-3" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" H  " index="2" type="H" chain="E" atmCharge="0.2936" bond12="1" bondLength="1.01" bond13="-1" bondAngle="119.8" bond14="-2" bondTorsion="0" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CA " index="3" type="CT" chain="M" atmCharge="0.0381" bond12="1" bondLength="1.449" bond13="-1" bondAngle="121.9" bond14="-2" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HA " index="4" type="H1" chain="E" atmCharge="0.088" bond12="3" bondLength="1.09" bond13="1" bondAngle="109.5" bond14="-1" bondTorsion="300" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CB " index="5" type="CT" chain="3" atmCharge="0.348098" bond12="3" bondLength="1.525" bond13="1" bondAngle="111.1" bond14="-1" bondTorsion="60" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HB2" index="6" type="HC" chain="E" atmCharge="-0.073079" bond12="5" bondLength="1.09" bond13="3" bondAngle="109.5" bond14="1" bondTorsion="300" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" HB3" index="7" type="HC" chain="E" atmCharge="-0.073079" bond12="5" bondLength="1.09" bond13="3" bondAngle="109.5" bond14="1" bondTorsion="60" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" CG " index="8" type="C" chain="B" atmCharge="0.643475" bond12="5" bondLength="1.527" bond13="3" bondAngle="109.47" bond14="1" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" OD1" index="9" type="OC" chain="E" atmCharge="-0.641521" bond12="8" bondLength="1.26" bond13="5" bondAngle="117.2" bond14="3" bondTorsion="90" kind="0" bType="5" bTop="0" bKind="0" />
            <atom identity=" OD2" index="10" type="OC" chain="E" atmCharge="-0.641521" bond12="8" bondLength="1.26" bond13="5" bondAngle="117.2" bond14="3" bondTorsion="270" kind="0" bType="5" bTop="0" bKind="0" />
            <atom identity=" C  " index="11" type="C" chain="M" atmCharge="0.5366" bond12="3" bondLength="1.522" bond13="1" bondAngle="111.1" bond14="-1" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <atom identity=" O  " index="12" type="O" chain="E" atmCharge="-0.5819" bond12="11" bondLength="1.229" bond13="3" bondAngle="120.5" bond14="1" bondTorsion="0" kind="0" bType="2" bTop="0" bKind="0" />
            <alias original=" N  " alias=" N1 " />
            <alias original=" H  " alias=" H1 " />
            <alias original=" C  " alias=" C1 " />
            <alias original=" O  " alias=" O1 " />
            <alias original=" N  " alias="N   " />
            <alias original=" H  " alias="HN  " />
            <alias original=" H  " alias=" HN " />
            <alias original=" H  " alias="H   " />
            <alias original=" CA " alias="CA  " />
            <alias original=" HA " alias="HA  " />
            <alias original=" CB " alias="CB  " />
            <alias original=" HB2" alias="HB2 " />
            <alias original=" HB2" alias="2HB " />
            <alias original=" HB3" alias="HB3 " />
            <alias original=" HB3" alias="3HB " />
            <alias original=" CG " alias="CG  " />
            <alias original=" OD1" alias="OD1 " />
            <alias original=" OD2" alias="OD2 " />
            <alias original=" C  " alias="C   " />
            <alias original=" O  " alias="O1  " />
            <alias original=" O  " alias="O   " />
            <improper Atom1="8773264" Atom2="3" Atom3="1" Atom4="2" />
            <improper Atom1="3" Atom2="-4" Atom3="11" Atom4="12" />
            <improper Atom1="5" Atom2="9" Atom3="8" Atom4="10" />
            <feature identity="NCC" atoms="8 9 10 " />
            <feature identity="HBD" atoms="1 " />
            <feature identity="HBA" atoms="9 " />
            <feature identity="HBA" atoms="10 " />
            <feature identity="HBA" atoms="12 " />
        </fragment>
        <fragment identity="hydroxyl" symbol="OH1" code="AA94MOH1" type="m">
            <atom identity=" O  " index="1" type="OH" chain="M" atmCharge="-0.877901" bond12="-1" bondLength="1.54" bond13="-2" bondAngle="111.208" bond14="-3" bondTorsion="180" kind="2" bType="1" bTop="2" bKind="0" />
            <atom identity=" H1 " index="2" type="HO" chain="E" atmCharge="0.356501" bond12="1" bondLength="0.947" bond13="-1" bondAngle="97.223" bond14="-2" bondTorsion="90" kind="1" bType="1" bTop="0" bKind="0" />
            <feature identity="HBD" atoms="1 " />
            <feature identity="HBA" atoms="1 " />
            <connectionPoints atoms="1 " />
        </fragment>
        <fragment identity="Zinc(II) Ion" symbol="ZN1" code="METSMZN1" type="m">
            <atom identity="ZN  " index="1" type="ZN" chain="M" atmCharge="1.05487" bond12="-1" bondLength="1" bond13="-2" bondAngle="90" bond14="-3" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <alias original="ZN  " alias=" ZN " />
            <alias original="ZN  " alias="  ZN" />
        </fragment>
        <fragment identity="Zinc(II) Ion" symbol="ZN2" code="METSMZN2" type="m">
            <atom identity="ZN  " index="1" type="ZN" chain="M" atmCharge="1.05487" bond12="-1" bondLength="1" bond13="-2" bondAngle="90" bond14="-3" bondTorsion="180" kind="0" bType="1" bTop="0" bKind="0" />
            <alias original="ZN  " alias=" ZN " />
            <alias original="ZN  " alias="  ZN" />
        </fragment>
        <molecule identity="Reference">
            <submolecule name="HD1" index="0" fileID=" ">
                <atom element="N" name=" N  " index="1" colIndex="1" fileID="1" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CA " index="2" colIndex="2" fileID="2" valence="0" hybridization="4" type="0" formalCharge="0" />
                <atom element="C" name=" C  " index="3" colIndex="3" fileID="3" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="O" name=" O  " index="4" colIndex="4" fileID="4" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CB " index="5" colIndex="5" fileID="5" valence="0" hybridization="4" type="0" formalCharge="0" />
                <atom element="C" name=" CG " index="6" colIndex="6" fileID="6" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="N" name=" ND1" index="7" colIndex="7" fileID="7" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CD2" index="8" colIndex="8" fileID="8" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CE1" index="9" colIndex="9" fileID="9" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="N" name=" NE2" index="10" colIndex="10" fileID="10" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="H" name=" H  " index="11" colIndex="11" fileID="11" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HA " index="12" colIndex="12" fileID="12" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HB2" index="13" colIndex="13" fileID="13" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HB3" index="14" colIndex="14" fileID="14" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HD1" index="15" colIndex="15" fileID="15" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HE1" index="16" colIndex="16" fileID="16" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HD2" index="17" colIndex="17" fileID="17" valence="0" hybridization="1" type="0" formalCharge="0" />
            </submolecule>
            <submolecule name="AS2" index="0" fileID=" ">
                <atom element="N" name=" N  " index="18" colIndex="18" fileID="18" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CA " index="19" colIndex="19" fileID="19" valence="0" hybridization="4" type="0" formalCharge="0" />
                <atom element="C" name=" C  " index="20" colIndex="20" fileID="20" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="O" name=" O  " index="21" colIndex="21" fileID="21" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CB " index="22" colIndex="22" fileID="22" valence="0" hybridization="4" type="0" formalCharge="0" />
                <atom element="C" name=" CG " index="23" colIndex="23" fileID="23" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="O" name=" OD1" index="24" colIndex="24" fileID="24" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="O" name=" OD2" index="25" colIndex="25" fileID="25" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="H" name=" H  " index="26" colIndex="26" fileID="26" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HA " index="27" colIndex="27" fileID="27" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HB2" index="28" colIndex="28" fileID="28" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HB3" index="29" colIndex="29" fileID="29" valence="0" hybridization="1" type="0" formalCharge="0" />
            </submolecule>
            <submolecule name="AS1" index="0" fileID=" ">
                <atom element="N" name=" N  " index="30" colIndex="30" fileID="30" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CA " index="31" colIndex="31" fileID="31" valence="0" hybridization="4" type="0" formalCharge="0" />
                <atom element="C" name=" C  " index="32" colIndex="32" fileID="32" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="O" name=" O  " index="33" colIndex="33" fileID="33" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CB " index="34" colIndex="34" fileID="34" valence="0" hybridization="4" type="0" formalCharge="0" />
                <atom element="C" name=" CG " index="35" colIndex="35" fileID="35" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="O" name=" OD1" index="36" colIndex="36" fileID="36" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="O" name=" OD2" index="37" colIndex="37" fileID="37" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="H" name=" H  " index="38" colIndex="38" fileID="38" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HA " index="39" colIndex="39" fileID="39" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HB2" index="40" colIndex="40" fileID="40" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HB3" index="41" colIndex="41" fileID="41" valence="0" hybridization="1" type="0" formalCharge="0" />
            </submolecule>
            <submolecule name="GL1" index="0" fileID=" ">
                <atom element="N" name=" N  " index="42" colIndex="42" fileID="42" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CA " index="43" colIndex="43" fileID="43" valence="0" hybridization="4" type="0" formalCharge="0" />
                <atom element="C" name=" C  " index="44" colIndex="44" fileID="44" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="O" name=" O  " index="45" colIndex="45" fileID="45" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CB " index="46" colIndex="46" fileID="46" valence="0" hybridization="4" type="0" formalCharge="0" />
                <atom element="C" name=" CG " index="47" colIndex="47" fileID="47" valence="0" hybridization="4" type="0" formalCharge="0" />
                <atom element="C" name=" CD " index="48" colIndex="48" fileID="48" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="O" name=" OE1" index="49" colIndex="49" fileID="49" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="O" name=" OE2" index="50" colIndex="50" fileID="50" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="H" name=" H  " index="51" colIndex="51" fileID="51" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HA " index="52" colIndex="52" fileID="52" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HB2" index="53" colIndex="53" fileID="53" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HB3" index="54" colIndex="54" fileID="54" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HG2" index="55" colIndex="55" fileID="55" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HG3" index="56" colIndex="56" fileID="56" valence="0" hybridization="1" type="0" formalCharge="0" />
            </submolecule>
            <submolecule name="HD2" index="0" fileID=" ">
                <atom element="N" name=" N  " index="57" colIndex="57" fileID="57" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CA " index="58" colIndex="58" fileID="58" valence="0" hybridization="4" type="0" formalCharge="0" />
                <atom element="C" name=" C  " index="59" colIndex="59" fileID="59" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="O" name=" O  " index="60" colIndex="60" fileID="60" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CB " index="61" colIndex="61" fileID="61" valence="0" hybridization="4" type="0" formalCharge="0" />
                <atom element="C" name=" CG " index="62" colIndex="62" fileID="62" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="N" name=" ND1" index="63" colIndex="63" fileID="63" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CD2" index="64" colIndex="64" fileID="64" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="C" name=" CE1" index="65" colIndex="65" fileID="65" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="N" name=" NE2" index="66" colIndex="66" fileID="66" valence="0" hybridization="3" type="0" formalCharge="0" />
                <atom element="H" name=" H  " index="67" colIndex="67" fileID="67" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HA " index="68" colIndex="68" fileID="68" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HB2" index="69" colIndex="69" fileID="69" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HB3" index="70" colIndex="70" fileID="70" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HD1" index="71" colIndex="71" fileID="71" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HE1" index="72" colIndex="72" fileID="72" valence="0" hybridization="1" type="0" formalCharge="0" />
                <atom element="H" name=" HD2" index="73" colIndex="73" fileID="73" valence="0" hybridization="1" type="0" formalCharge="0" />
            </submolecule>
            <submolecule name="ZN1" index="0" fileID=" ">
                <atom element="Zn" name="ZN  " index="74" colIndex="74" fileID="74" valence="0" hybridization="4" type="0" formalCharge="0" />
            </submolecule>
            <submolecule name="ZN2" index="0" fileID=" ">
                <atom element="Zn" name="ZN  " index="75" colIndex="75" fileID="75" valence="0" hybridization="4" type="0" formalCharge="0" />
            </submolecule>
            <submolecule name="OH1" index="0" fileID=" ">
                <atom element="O" name=" O  " index="76" colIndex="76" fileID="76" valence="0" hybridization="4" type="2" formalCharge="0" />
                <atom element="H" name=" H1 " index="77" colIndex="77" fileID="77" valence="0" hybridization="1" type="1" formalCharge="0" />
            </submolecule>
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            <bond index="10" at1="1" at2="11" type="1" stereo="0" topology="1" kind="0" rotatable="1" />
            <bond index="100002" at1="2" at2="3" type="1" stereo="0" topology="2" kind="0" rotatable="1" />
            <bond index="100004" at1="2" at2="5" type="1" stereo="0" topology="2" kind="0" rotatable="1" />
            <bond index="100011" at1="2" at2="12" type="1" stereo="0" topology="1" kind="0" rotatable="1" />
            <bond index="200003" at1="3" at2="4" type="2" stereo="0" topology="2" kind="0" rotatable="1" />
            <bond index="400005" at1="5" at2="6" type="1" stereo="0" topology="2" kind="0" rotatable="1" />
            <bond index="400012" at1="5" at2="13" type="1" stereo="0" topology="1" kind="0" rotatable="1" />
            <bond index="400013" at1="5" at2="14" type="1" stereo="0" topology="1" kind="0" rotatable="1" />
            <bond index="500006" at1="6" at2="7" type="6" stereo="0" topology="1" kind="0" rotatable="1" />
            <bond index="500007" at1="6" at2="8" type="7" stereo="0" topology="1" kind="0" rotatable="1" />
            <bond index="600008" at1="7" at2="9" type="6" stereo="0" topology="1" kind="0" rotatable="1" />
            <bond index="600014" at1="7" at2="15" type="1" stereo="0" topology="1" kind="0" rotatable="1" />
            <bond index="700009" at1="8" at2="10" type="6" stereo="0" topology="1" kind="0" rotatable="1" />
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            <bond index="4100042" at1="42" at2="43" type="1" stereo="0" topology="2" kind="0" rotatable="1" />
            <bond index="4100050" at1="42" at2="51" type="1" stereo="0" topology="1" kind="0" rotatable="1" />
            <bond index="4200043" at1="43" at2="44" type="1" stereo="0" topology="2" kind="0" rotatable="1" />
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