| 1 | <ForceField>
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| 2 | <Info>
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| 3 | <DateGenerated>2023-09-06</DateGenerated>
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| 4 | </Info>
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| 5 | <Residues>
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| 6 | <Residue name="MGD">
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| 7 | <Atom name="C1" type="c3" charge="0.2168"/>
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| 8 | <Atom name="C2" type="c3" charge="0.1724"/>
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| 9 | <Atom name="C3" type="c3" charge="0.1743"/>
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| 10 | <Atom name="C4" type="c2" charge="0.0134"/>
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| 11 | <Atom name="C5" type="c2" charge="-0.0986"/>
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| 12 | <Atom name="C6" type="c3" charge="0.0352"/>
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| 13 | <Atom name="C7" type="cc" charge="-0.147"/>
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| 14 | <Atom name="C8" type="c" charge="0.6242"/>
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| 15 | <Atom name="C9" type="cc" charge="0.48"/>
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| 16 | <Atom name="C10" type="cc" charge="0.4973"/>
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| 17 | <Atom name="C11" type="c3" charge="0.1141"/>
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| 18 | <Atom name="C12" type="c2" charge="0.3701"/>
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| 19 | <Atom name="C13" type="c3" charge="0.2138"/>
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| 20 | <Atom name="C14" type="c3" charge="0.1001"/>
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| 21 | <Atom name="C15" type="cd" charge="0.0588"/>
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| 22 | <Atom name="C16" type="c3" charge="0.0791"/>
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| 23 | <Atom name="C17" type="cc" charge="0.2018"/>
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| 24 | <Atom name="C18" type="c3" charge="0.1654"/>
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| 25 | <Atom name="C19" type="c" charge="0.645"/>
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| 26 | <Atom name="C20" type="cd" charge="0.4554"/>
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| 27 | <Atom name="H1" type="h2" charge="0.0857"/>
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| 28 | <Atom name="H2" type="h1" charge="0.0517"/>
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| 29 | <Atom name="H3" type="h1" charge="0.0517"/>
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| 30 | <Atom name="H4" type="h1" charge="0.1047"/>
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| 31 | <Atom name="H5" type="hs" charge="0.1838"/>
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| 32 | <Atom name="H6" type="hs" charge="0.2088"/>
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| 33 | <Atom name="H7" type="h1" charge="0.0517"/>
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| 34 | <Atom name="H8" type="hn" charge="0.2227"/>
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| 35 | <Atom name="H9" type="hn" charge="0.3875"/>
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| 36 | <Atom name="H10" type="hn" charge="0.2762"/>
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| 37 | <Atom name="H11" type="hn" charge="0.2762"/>
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| 38 | <Atom name="H12" type="h1" charge="0.1207"/>
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| 39 | <Atom name="H13" type="hn" charge="0.2607"/>
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| 40 | <Atom name="H14" type="h2" charge="0.0657"/>
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| 41 | <Atom name="H15" type="h1" charge="0.1297"/>
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| 42 | <Atom name="H16" type="h1" charge="0.0747"/>
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| 43 | <Atom name="H17" type="h1" charge="0.0552"/>
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| 44 | <Atom name="H18" type="h1" charge="0.0552"/>
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| 45 | <Atom name="H19" type="h5" charge="0.1721"/>
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| 46 | <Atom name="H20" type="hn" charge="0.3215"/>
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| 47 | <Atom name="H21" type="hn" charge="0.2267"/>
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| 48 | <Atom name="H22" type="hn" charge="0.2267"/>
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| 49 | <Atom name="H23" type="ho" charge="0.419"/>
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| 50 | <Atom name="H24" type="ho" charge="0.475"/>
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| 51 | <Atom name="N1" type="n" charge="-0.4994"/>
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| 52 | <Atom name="N2" type="nh" charge="-0.2831"/>
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| 53 | <Atom name="N3" type="n" charge="-0.4554"/>
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| 54 | <Atom name="N4" type="nh" charge="-0.4541"/>
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| 55 | <Atom name="N5" type="nh" charge="-0.4591"/>
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| 56 | <Atom name="N6" type="n1" charge="-0.6258"/>
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| 57 | <Atom name="N7" type="nh" charge="-0.3431"/>
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| 58 | <Atom name="N8" type="nd" charge="-0.6221"/>
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| 59 | <Atom name="N9" type="nc" charge="-0.632"/>
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| 60 | <Atom name="N10" type="na" charge="-0.1909"/>
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| 61 | <Atom name="O1" type="os" charge="-0.4276"/>
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| 62 | <Atom name="O2" type="o" charge="-0.6885"/>
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| 63 | <Atom name="O3" type="o" charge="-0.8705"/>
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| 64 | <Atom name="O4" type="o" charge="-0.8895"/>
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| 65 | <Atom name="O5" type="oh" charge="-0.6048"/>
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| 66 | <Atom name="O6" type="o" charge="-0.8705"/>
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| 67 | <Atom name="O7" type="o" charge="-0.8895"/>
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| 68 | <Atom name="O8" type="oh" charge="-0.6538"/>
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| 69 | <Atom name="O9" type="os" charge="-0.5772"/>
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| 70 | <Atom name="O10" type="os" charge="-0.8278"/>
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| 71 | <Atom name="O11" type="os" charge="-0.4256"/>
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| 72 | <Atom name="O12" type="os" charge="-0.6162"/>
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| 73 | <Atom name="O13" type="o" charge="-0.6415"/>
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| 74 | <Atom name="P1" type="p5" charge="1.6048"/>
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| 75 | <Atom name="P2" type="p5" charge="1.6248"/>
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| 76 | <Atom name="S1" type="sh" charge="-0.2054"/>
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| 77 | <Atom name="S2" type="sh" charge="-0.3534"/>
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| 78 | <Bond atomName1="C1" atomName2="C11"/>
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| 79 | <Bond atomName1="C1" atomName2="H1"/>
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| 80 | <Bond atomName1="C1" atomName2="N10"/>
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| 81 | <Bond atomName1="C1" atomName2="O11"/>
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| 82 | <Bond atomName1="C2" atomName2="C3"/>
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| 83 | <Bond atomName1="C2" atomName2="H2"/>
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| 84 | <Bond atomName1="C2" atomName2="H3"/>
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| 85 | <Bond atomName1="C2" atomName2="O9"/>
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| 86 | <Bond atomName1="C3" atomName2="C4"/>
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| 87 | <Bond atomName1="C3" atomName2="H4"/>
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| 88 | <Bond atomName1="C3" atomName2="O1"/>
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| 89 | <Bond atomName1="C4" atomName2="C5"/>
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| 90 | <Bond atomName1="C4" atomName2="S1"/>
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| 91 | <Bond atomName1="C5" atomName2="C6"/>
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| 92 | <Bond atomName1="C5" atomName2="S2"/>
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| 93 | <Bond atomName1="C6" atomName2="C13"/>
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| 94 | <Bond atomName1="C6" atomName2="H7"/>
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| 95 | <Bond atomName1="C6" atomName2="N2"/>
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| 96 | <Bond atomName1="C7" atomName2="C8"/>
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| 97 | <Bond atomName1="C7" atomName2="C12"/>
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| 98 | <Bond atomName1="C7" atomName2="N2"/>
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| 99 | <Bond atomName1="C8" atomName2="N3"/>
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| 100 | <Bond atomName1="C8" atomName2="O2"/>
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| 101 | <Bond atomName1="C9" atomName2="N3"/>
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| 102 | <Bond atomName1="C9" atomName2="N4"/>
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| 103 | <Bond atomName1="C9" atomName2="N6"/>
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| 104 | <Bond atomName1="C10" atomName2="N1"/>
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| 105 | <Bond atomName1="C10" atomName2="N5"/>
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| 106 | <Bond atomName1="C10" atomName2="N8"/>
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| 107 | <Bond atomName1="C11" atomName2="C14"/>
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| 108 | <Bond atomName1="C11" atomName2="H12"/>
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| 109 | <Bond atomName1="C11" atomName2="O5"/>
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| 110 | <Bond atomName1="C12" atomName2="N6"/>
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| 111 | <Bond atomName1="C12" atomName2="N7"/>
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| 112 | <Bond atomName1="C13" atomName2="H14"/>
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| 113 | <Bond atomName1="C13" atomName2="N7"/>
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| 114 | <Bond atomName1="C13" atomName2="O1"/>
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| 115 | <Bond atomName1="C14" atomName2="C16"/>
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| 116 | <Bond atomName1="C14" atomName2="H15"/>
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| 117 | <Bond atomName1="C14" atomName2="O8"/>
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| 118 | <Bond atomName1="C15" atomName2="C17"/>
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| 119 | <Bond atomName1="C15" atomName2="N8"/>
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| 120 | <Bond atomName1="C15" atomName2="N10"/>
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| 121 | <Bond atomName1="C16" atomName2="C18"/>
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| 122 | <Bond atomName1="C16" atomName2="H16"/>
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| 123 | <Bond atomName1="C16" atomName2="O11"/>
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| 124 | <Bond atomName1="C17" atomName2="C19"/>
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| 125 | <Bond atomName1="C17" atomName2="N9"/>
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| 126 | <Bond atomName1="C18" atomName2="H17"/>
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| 127 | <Bond atomName1="C18" atomName2="H18"/>
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| 128 | <Bond atomName1="C18" atomName2="O12"/>
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| 129 | <Bond atomName1="C19" atomName2="N1"/>
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| 130 | <Bond atomName1="C19" atomName2="O13"/>
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| 131 | <Bond atomName1="C20" atomName2="H19"/>
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| 132 | <Bond atomName1="C20" atomName2="N9"/>
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| 133 | <Bond atomName1="C20" atomName2="N10"/>
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| 134 | <Bond atomName1="H5" atomName2="S1"/>
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| 135 | <Bond atomName1="H6" atomName2="S2"/>
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| 136 | <Bond atomName1="H8" atomName2="N2"/>
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| 137 | <Bond atomName1="H9" atomName2="N3"/>
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| 138 | <Bond atomName1="H10" atomName2="N4"/>
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| 139 | <Bond atomName1="H11" atomName2="N4"/>
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| 140 | <Bond atomName1="H13" atomName2="N7"/>
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| 141 | <Bond atomName1="H20" atomName2="N1"/>
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| 142 | <Bond atomName1="H21" atomName2="N5"/>
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| 143 | <Bond atomName1="H22" atomName2="N5"/>
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| 144 | <Bond atomName1="H23" atomName2="O5"/>
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| 145 | <Bond atomName1="H24" atomName2="O8"/>
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| 146 | <Bond atomName1="O3" atomName2="P1"/>
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| 147 | <Bond atomName1="O4" atomName2="P2"/>
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| 148 | <Bond atomName1="O6" atomName2="P1"/>
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| 149 | <Bond atomName1="O7" atomName2="P2"/>
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| 150 | <Bond atomName1="O9" atomName2="P1"/>
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| 151 | <Bond atomName1="O10" atomName2="P1"/>
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| 152 | <Bond atomName1="O10" atomName2="P2"/>
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| 153 | <Bond atomName1="O12" atomName2="P2"/>
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| 154 | </Residue>
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| 155 | </Residues>
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| 156 | <HarmonicBondForce>
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| 157 | <Bond class1="cc" class2="n1" length="0.1311" k="386266.87999999995"/>
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| 158 | </HarmonicBondForce>
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| 159 | <HarmonicAngleForce>
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| 160 | <Angle class1="c3" class2="c2" class3="sh" angle="2.0884609829364145" k="531.368"/>
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| 161 | <Angle class1="cc" class2="c2" class3="n1" angle="2.1464059141026266" k="753.9567999999999"/>
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| 162 | <Angle class1="c" class2="cc" class3="nh" angle="2.15146736893341" k="725.5056000000001"/>
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| 163 | <Angle class1="c2" class2="n1" class3="cc" angle="0.0" k="0.0"/>
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| 164 | <Angle class1="c2" class2="cc" class3="nh" angle="2.1315706154606744" k="705.4224"/>
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| 165 | <Angle class1="n" class2="cc" class3="n1" angle="2.077029076335852" k="603.550368"/>
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| 166 | <Angle class1="n1" class2="cc" class3="nh" angle="2.077029076335852" k="603.550368"/>
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| 167 | <Angle class1="n1" class2="c2" class3="nh" angle="2.0679533642254815" k="610.48744"/>
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| 168 | </HarmonicAngleForce>
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| 169 | <PeriodicTorsionForce>
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| 170 | <Proper class1="n1" class2="c2" class3="cc" class4="c" periodicity1="2" phase1="3.141592653589793" k1="27.823600000000003"/>
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| 171 | <Proper class1="nh" class2="c2" class3="cc" class4="c" periodicity1="2" phase1="3.141592653589793" k1="27.823600000000003"/>
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| 172 | <Proper class1="n1" class2="c2" class3="cc" class4="nh" periodicity1="2" phase1="3.141592653589793" k1="27.823600000000003"/>
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| 173 | <Proper class1="nh" class2="c2" class3="cc" class4="nh" periodicity1="2" phase1="3.141592653589793" k1="27.823600000000003"/>
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| 174 | <Improper class1="c2" class2="c2" class3="c3" class4="sh" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 175 | <Improper class1="cc" class2="c" class3="c2" class4="nh" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 176 | <Improper class1="c" class2="cc" class3="n" class4="o" periodicity1="2" phase1="3.141592653589793" k1="43.932"/>
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| 177 | <Improper class1="cc" class2="n" class3="n1" class4="nh" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 178 | <Improper class1="cc" class2="n" class3="nd" class4="nh" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 179 | <Improper class1="c2" class2="cc" class3="n1" class4="nh" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 180 | <Improper class1="cd" class2="cc" class3="na" class4="nd" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 181 | <Improper class1="cc" class2="c" class3="cd" class4="nc" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 182 | <Improper class1="cd" class2="h5" class3="na" class4="nc" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 183 | <Improper class1="n" class2="c" class3="cc" class4="hn" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 184 | <Improper class1="nh" class2="c3" class3="cc" class4="hn" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 185 | <Improper class1="nh" class2="cc" class3="hn" class4="hn" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 186 | <Improper class1="nh" class2="c2" class3="c3" class4="hn" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 187 | <Improper class1="na" class2="c3" class3="cd" class4="cd" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
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| 188 | </PeriodicTorsionForce>
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| 189 | </ForceField>
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