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1b2bccf1-4511-4a27-bd7b-f49ebfd9899c/main

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<?xml version="1.0"?>
<topology>
  <molecules>
    <molecule>
      <name>Methane</name>
      <mdname>Methane</mdname>
      <segments>
        <segment>
          <name>Methane</name>
          <qmcoords_n>QC_FILES/methane.xyz</qmcoords_n>
          <qmcoords_s>QC_FILES/methane.xyz</qmcoords_s>
          <U_xX_nN_h>1.0000</U_xX_nN_h>
          <U_nX_nN_h>0.1000</U_nX_nN_h>
          <U_xN_xX_h>0.2000</U_xN_xX_h>
          <U_xX_nN_e>1.0000</U_xX_nN_e>
          <U_nX_nN_e>0.3000</U_nX_nN_e>
          <U_xN_xX_e>0.4000</U_xN_xX_e>
          <U_xX_nN_s>1.0000</U_xX_nN_s>
          <U_nX_nN_s>0.1000</U_nX_nN_s>
          <U_xN_xX_s>0.2000</U_xN_xX_s>
          <U_xX_nN_t>1.0000</U_xX_nN_t>
          <U_nX_nN_t>0.3000</U_nX_nN_t>
          <U_xN_xX_t>0.4000</U_xN_xX_t>
          <multipoles_s>MP_FILES/Methane_s1.mps</multipoles_s>
          <multipoles_n>MP_FILES/Methane_n.mps</multipoles_n>
          <multipoles_h>MP_FILES/Methane_h.mps</multipoles_h>
          <multipoles_e>MP_FILES/Methane_e.mps</multipoles_e>
          <map2md>0</map2md>
          <fragments>
            <fragment>
              <name>ALAB_1</name>
              <mdatoms>  1:CB:1    1:HB1:2   1:HB2:3    </mdatoms>
              <qmatoms>     0:C          1:H          2:H              </qmatoms>
              <mpoles>      0:C          1:H          2:H             </mpoles>
              <weights>      12           1            1           </weights>
              <localframe>0 1 2</localframe>
            </fragment>
            <fragment>
              <name>ALAB_2</name>
              <mdatoms>  1:HB3:4  </mdatoms>
              <qmatoms>     3:H          </qmatoms>
              <mpoles>      3:H          </mpoles>
              <weights>        1          </weights>
              <localframe>3</localframe>
            </fragment>
            <fragment>
              <name>ALAB_3</name>
              <mdatoms>   1:HB4:5 </mdatoms>
              <qmatoms>           4:H     </qmatoms>
              <mpoles>           4:H     </mpoles>
              <weights>            1      </weights>
              <localframe>4</localframe>
            </fragment>
          </fragments>
        </segment>
      </segments>
    </molecule>
  </molecules>
</topology>