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rmatsum836/gist:568a1c7218f127542ac8e8fd3c6b485a

Created June 11, 2019 20:18
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gistfile1.txt
<ForceField>
<AtomTypes>
<Type name="lopes_010" class="" element="N" mass="14.00672" def="[N;X3;r5]1[C;X3;r5][N;X3;r5][C;X3;r5][C;X3;r5]1" overrides="" desc="" doi="10.1021/jp0362133"/>
<Type name="lopes_011" class="" element="C" mass="12.01078" def="[C;X3;r5]1[N;%lopes_010][C;X3;r5][C;X3;r5][N;%lopes_010]1" overrides="" desc="" doi="10.1021/jp0362133"/>
<Type name="lopes_012" class="" element="C" mass="12.01078" def="[C;X3;r5]1[C;X3;r5][N;%lopes_010][C;X3;r5][N;%lopes_010]1" overrides="" desc="" doi="10.1021/jp0362133"/>
<Type name="lopes_013" class="" element="H" mass="1.007947" def="H[C;%lopes_011,%lopes_012]" overrides="" desc="" doi="10.1021/jp0362133"/>
<Type name="lopes_014" class="" element="C" mass="12.01078" def="[C;X4][N;%lopes_010]" overrides="," desc="" doi="10.1021/jp0362133"/>
<Type name="lopes_015" class="" element="H" mass="1.007947" def="H[C;%lopes_014]" overrides="" desc="" doi="10.1021/jp0362133"/>
<Type name="lopes_017" class="" element="C" mass="12.01078" def="[C;X4]([C;%lopes_014])(C)" overrides="" desc="" doi="10.1021/jp0362133"/>
<Type name="lopes_018" class="" element="C" mass="12.01078" def="[C;X4](H)(H)(C)[C;%lopes_017,%lopes_018]" overrides="" desc="" doi="10.1021/jp0362133"/>
<Type name="lopes_019" class="" element="C" mass="12.01078" def="[C;X4](H)(H)(H)[C;%lopes_018]" overrides="" desc="" doi="10.1021/jp0362133"/>
<Type name="lopes_020" class="" element="H" mass="1.007947" def="H[C;%lopes_016,%lopes_017,%lopes_018,%lopes_019]" overrides="" desc="" doi="10.1021/jp0362133"/>
<Type name="lopes_021" class="" element="C" mass="12.01078" def="C(F)(F)(F)S" overrides="" desc="" doi="10.1021/jp0476545"/>
<Type name="lopes_022" class="" element="F" mass="18.99840325" def="FC(F)(F)S" overrides="" desc="" doi="10.1021/jp0476545"/>
<Type name="lopes_023" class="" element="S" mass="32.0655" def="S(O)(O)C(F)(F)(F)" overrides="" desc="" doi="10.1021/jp0476545"/>
<Type name="lopes_025" class="" element="O" mass="15.99943" def="OS(N)(O)C(F)(F)(F)" overrides="" desc="" doi="10.1021/jp0476545"/>
<Type name="lopes_026" class="" element="N" mass="14.00672" def="N(S(O)(O)(C))S(O)(O)(C)" overrides="" desc="" doi="10.1021/jp0476545"/>
</AtomTypes>
<NonbondedForce coulomb14scale="0.5" lj14scale="0.5">
<Atom type="lopes_010" charge="0.15" sigma="0.325" epsilon="0.71128"/>
<Atom type="lopes_011" charge="-0.11" sigma="0.355" epsilon="0.29288"/>
<Atom type="lopes_012" charge="-0.13" sigma="0.355" epsilon="0.29288"/>
<Atom type="lopes_013" charge="0.21" sigma="0.242" epsilon="0.12552"/>
<Atom type="lopes_014" charge="-0.17" sigma="0.35" epsilon="0.27614"/>
<Atom type="lopes_015" charge="0.13" sigma="0.25" epsilon="0.12552"/>
<Atom type="lopes_017" charge="0.01" sigma="0.35" epsilon="0.27614"/>
<Atom type="lopes_018" charge="-0.12" sigma="0.35" epsilon="0.27614"/>
<Atom type="lopes_019" charge="-0.18" sigma="0.35" epsilon="0.27614"/>
<Atom type="lopes_020" charge="0.06" sigma="0.25" epsilon="0.12552"/>
<Atom type="lopes_021" charge="0.35" sigma="0.35" epsilon="0.27614"/>
<Atom type="lopes_022" charge="-0.16" sigma="0.295" epsilon="0.22175"/>
<Atom type="lopes_023" charge="1.02" sigma="0.355" epsilon="1.046"/>
<Atom type="lopes_025" charge="-0.53" sigma="0.296" epsilon="0.87864"/>
<Atom type="lopes_026" charge="-0.66" sigma="0.325" epsilon="0.71128"/>
</NonbondedForce>
<HarmonicBondForce>
<Bond type1="lopes_010" type2="lopes_011" length="0.135" k="199600.0"/>
<Bond type1="lopes_010" type2="lopes_012" length="0.1378" k="178700.0"/>
<Bond type1="lopes_010" type2="lopes_014" length="0.1466" k="141000.0"/>
<Bond type1="lopes_011" type2="lopes_013" length="0.108" k="284512.0"/>
<Bond type1="lopes_012" type2="lopes_012" length="0.1341" k="217600.0"/>
<Bond type1="lopes_012" type2="lopes_013" length="0.108" k="284512.0"/>
<Bond type1="lopes_014" type2="lopes_015" length="0.109" k="284512.0"/>
<Bond type1="lopes_014" type2="lopes_017" length="0.1529" k="112100.0"/>
<Bond type1="lopes_017" type2="lopes_018" length="0.1529" k="112100.0"/>
<Bond type1="lopes_017" type2="lopes_020" length="0.109" k="284512.0"/>
<Bond type1="lopes_018" type2="lopes_019" length="0.1529" k="112100.0"/>
<Bond type1="lopes_018" type2="lopes_020" length="0.109" k="284512.0"/>
<Bond type1="lopes_019" type2="lopes_020" length="0.109" k="284512.0"/>
<Bond type1="lopes_021" type2="lopes_022" length="0.1323" k="184850.0"/>
<Bond type1="lopes_021" type2="lopes_023" length="0.1818" k="98500.0"/>
<Bond type1="lopes_023" type2="lopes_025" length="0.1442" k="266550.0"/>
<Bond type1="lopes_023" type2="lopes_026" length="0.157" k="155650.0"/>
</HarmonicBondForce>
<HarmonicAngleForce>
<Angle type1="lopes_010" type2="lopes_011" type3="lopes_010" angle="1.9163715187" k="292.6"/>
<Angle type1="lopes_010" type2="lopes_011" type3="lopes_013" angle="2.1834068942" k="146.3"/>
<Angle type1="lopes_010" type2="lopes_012" type3="lopes_012" angle="1.8692476289" k="292.6"/>
<Angle type1="lopes_010" type2="lopes_012" type3="lopes_013" angle="2.1293016874" k="146.3"/>
<Angle type1="lopes_010" type2="lopes_014" type3="lopes_015" angle="1.93207948" k="156.6"/>
<Angle type1="lopes_010" type2="lopes_014" type3="lopes_017" angle="1.96698607" k="418.4"/>
<Angle type1="lopes_011" type2="lopes_010" type3="lopes_012" angle="1.8849555922" k="282.6"/>
<Angle type1="lopes_011" type2="lopes_010" type3="lopes_014" angle="2.2060961745" k="282.6"/>
<Angle type1="lopes_012" type2="lopes_010" type3="lopes_014" angle="2.1921335405" k="282.6"/>
<Angle type1="lopes_012" type2="lopes_012" type3="lopes_013" angle="2.2846359909" k="146.3"/>
<Angle type1="lopes_014" type2="lopes_017" type3="lopes_018" angle="1.96698607" k="418.4"/>
<Angle type1="lopes_014" type2="lopes_017" type3="lopes_020" angle="1.93207948" k="156.6"/>
<Angle type1="lopes_015" type2="lopes_014" type3="lopes_015" angle="1.88146493" k="138.1"/>
<Angle type1="lopes_015" type2="lopes_014" type3="lopes_017" angle="1.93207948" k="156.6"/>
<Angle type1="lopes_017" type2="lopes_018" type3="lopes_019" angle="1.96698607" k="418.4"/>
<Angle type1="lopes_017" type2="lopes_018" type3="lopes_020" angle="1.93207948" k="156.6"/>
<Angle type1="lopes_020" type2="lopes_017" type3="lopes_020" angle="1.88146493" k="138.1"/>
<Angle type1="lopes_020" type2="lopes_018" type3="lopes_020" angle="1.88146493" k="138.1"/>
<Angle type1="lopes_020" type2="lopes_019" type3="lopes_020" angle="1.88146493" k="138.1"/>
<Angle type1="lopes_021" type2="lopes_023" type3="lopes_025" angle="1.7907078125" k="870.0"/>
<Angle type1="lopes_021" type2="lopes_023" type3="lopes_026" angle="1.7488199105" k="816.0"/>
<Angle type1="lopes_022" type2="lopes_021" type3="lopes_022" angle="1.8692476289" k="781.0"/>
<Angle type1="lopes_022" type2="lopes_021" type3="lopes_023" angle="1.9512781037" k="694.0"/>
<Angle type1="lopes_023" type2="lopes_026" type3="lopes_023" angle="2.1921335405" k="671.0"/>
<Angle type1="lopes_025" type2="lopes_023" type3="lopes_025" angle="2.0682151636" k="969.0"/>
<Angle type1="lopes_025" type2="lopes_023" type3="lopes_026" angle="1.9826940303" k="789.0"/>
</HarmonicAngleForce>
<RBTorsionForce>
<Proper type1="lopes_010" type2="lopes_010" type3="lopes_011" type4="lopes_013" c0="9.2" c1="0.0" c2="-9.2" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_010" type2="lopes_011" type3="lopes_010" type4="lopes_012" c0="19.46" c1="0.0" c2="-19.46" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_010" type2="lopes_011" type3="lopes_010" type4="lopes_014" c0="19.46" c1="0.0" c2="-19.46" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_010" type2="lopes_012" type3="lopes_013" type4="lopes_012" c0="9.2" c1="0.0" c2="-9.2" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_010" type2="lopes_013" type3="lopes_011" type4="lopes_010" c0="9.2" c1="0.0" c2="-9.2" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_010" type2="lopes_013" type3="lopes_012" type4="lopes_012" c0="9.2" c1="0.0" c2="-9.2" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_010" type2="lopes_014" type3="lopes_017" type4="lopes_018" c0="-1.1775" c1="1.9335" c2="-3.164" c3="2.406" c4="0.0" c5="0.0"/>
<Proper type1="lopes_010" type2="lopes_014" type3="lopes_017" type4="lopes_020" c0="0.0" c1="0.0" c2="0.0" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_011" type2="lopes_010" type3="lopes_012" type4="lopes_012" c0="12.55" c1="0.0" c2="-12.55" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_011" type2="lopes_010" type3="lopes_012" type4="lopes_013" c0="12.55" c1="0.0" c2="-12.55" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_011" type2="lopes_010" type3="lopes_014" type4="lopes_012" c0="8.37" c1="0.0" c2="-8.37" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_011" type2="lopes_010" type3="lopes_014" type4="lopes_015" c0="0.0" c1="0.0" c2="0.0" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_011" type2="lopes_014" type3="lopes_010" type4="lopes_012" c0="8.37" c1="0.0" c2="-8.37" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_012" type2="lopes_010" type3="lopes_011" type4="lopes_013" c0="19.46" c1="0.0" c2="-19.46" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_012" type2="lopes_010" type3="lopes_012" type4="lopes_013" c0="9.2" c1="0.0" c2="-9.2" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_012" type2="lopes_010" type3="lopes_014" type4="lopes_015" c0="0.2595" c1="0.7785" c2="0.0" c3="-1.038" c4="0.0" c5="0.0"/>
<Proper type1="lopes_012" type2="lopes_010" type3="lopes_014" type4="lopes_017" c0="2.926" c1="4.768" c2="-6.106" c3="-1.588" c4="0.0" c5="0.0"/>
<Proper type1="lopes_012" type2="lopes_011" type3="lopes_010" type4="lopes_014" c0="8.37" c1="0.0" c2="-8.37" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_012" type2="lopes_012" type3="lopes_010" type4="lopes_014" c0="12.55" c1="0.0" c2="-12.55" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_013" type2="lopes_011" type3="lopes_010" type4="lopes_014" c0="19.46" c1="0.0" c2="-19.46" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_013" type2="lopes_012" type3="lopes_010" type4="lopes_014" c0="12.55" c1="0.0" c2="-12.55" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_013" type2="lopes_012" type3="lopes_012" type4="lopes_013" c0="44.98" c1="0.0" c2="-44.98" c3="0.0" c4="0.0" c5="0.0"/>
<Proper type1="lopes_014" type2="lopes_017" type3="lopes_018" type4="lopes_019" c0="3.5665" c1="-1.8895" c2="0.657" c3="-2.334" c4="0.0" c5="0.0"/>
<Proper type1="lopes_014" type2="lopes_017" type3="lopes_018" type4="lopes_020" c0="0.7655" c1="2.2965" c2="0.0" c3="-3.062" c4="0.0" c5="0.0"/>
<Proper type1="lopes_015" type2="lopes_014" type3="lopes_017" type4="lopes_018" c0="0.7655" c1="2.2965" c2="0.0" c3="-3.062" c4="0.0" c5="0.0"/>
<Proper type1="lopes_015" type2="lopes_014" type3="lopes_017" type4="lopes_020" c0="0.6655" c1="1.9965" c2="0.0" c3="-2.662" c4="0.0" c5="0.0"/>
<Proper type1="lopes_017" type2="lopes_018" type3="lopes_019" type4="lopes_020" c0="0.7655" c1="2.2965" c2="0.0" c3="-3.062" c4="0.0" c5="0.0"/>
<Proper type1="lopes_019" type2="lopes_018" type3="lopes_017" type4="lopes_020" c0="0.7655" c1="2.2965" c2="0.0" c3="-3.062" c4="0.0" c5="0.0"/>
<Proper type1="lopes_020" type2="lopes_017" type3="lopes_018" type4="lopes_020" c0="0.6655" c1="1.9965" c2="0.0" c3="-2.662" c4="0.0" c5="0.0"/>
<Proper type1="lopes_020" type2="lopes_018" type3="lopes_019" type4="lopes_020" c0="0.6655" c1="1.9965" c2="0.0" c3="-2.662" c4="0.0" c5="0.0"/>
<Proper type1="lopes_022" type2="lopes_021" type3="lopes_023" type4="lopes_025" c0="0.7255" c1="2.1765" c2="0.0" c3="-2.902" c4="0.0" c5="0.0"/>
<Proper type1="lopes_022" type2="lopes_021" type3="lopes_023" type4="lopes_026" c0="0.661" c1="1.983" c2="0.0" c3="-2.644" c4="0.0" c5="0.0"/>
<Proper type1="lopes_023" type2="lopes_026" type3="lopes_023" type4="lopes_025" c0="-0.0075" c1="-0.0225" c2="0.0" c3="0.03" c4="0.0" c5="0.0"/>
</RBTorsionForce>
</ForceField>
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