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<?xml version="1.0"?>
<topology>
<molecules>
<molecule>
<name>Methane</name>
<mdname>Methane</mdname>
<segments>
<segment>
<name>Methane</name>
<qmcoords_n>files_examples/methane.xyz</qmcoords_n>
<qmcoords_s>files_examples/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>files_examples/MP_FILES/Methane_s1.mps</multipoles_s>
<multipoles_n>files_examples/MP_FILES/Methane_n.mps</multipoles_n>
<multipoles_h>files_examples/MP_FILES/Methane_h.mps</multipoles_h>
<multipoles_e>files_examples/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>
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