global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
XYP      XYP 'BETA-D-XYLOPYRANOSE                 ' non-polymer        20  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_XYP
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 XYP           O4B    O    OH1       0.000      0.000    0.000    0.000
 XYP           HO4B   H    H         0.000      0.743   -0.364   -0.500
 XYP           C4B    C    CH1       0.000     -1.228   -0.431   -0.590
 XYP           H4B    H    H         0.000     -1.279   -1.528   -0.573
 XYP           C3B    C    CH1       0.000     -2.408    0.149    0.197
 XYP           H3B    H    H         0.000     -2.299    1.241    0.271
 XYP           O3B    O    OH1       0.000     -2.443   -0.417    1.508
 XYP           HO3B   H    H         0.000     -1.623   -0.202    1.972
 XYP           C2B    C    CH1       0.000     -3.705   -0.187   -0.544
 XYP           H2B    H    H         0.000     -3.867   -1.274   -0.525
 XYP           O2B    O    OH1       0.000     -4.805    0.470    0.088
 XYP           HO2B   H    H         0.000     -5.621    0.258   -0.385
 XYP           C5B    C    CH2       0.000     -1.301    0.061   -2.038
 XYP           H5B1   H    H         0.000     -0.449   -0.332   -2.595
 XYP           H5B2   H    H         0.000     -1.271    1.153   -2.049
 XYP           O5B    O    O2        0.000     -2.512   -0.388   -2.639
 XYP           C1B    C    CH1       0.000     -3.592    0.286   -1.995
 XYP           H1B    H    H         0.000     -3.407    1.370   -2.012
 XYP           O4A    O    OH1       0.000     -4.810    0.001   -2.684
 XYP           HO4A   H    H         0.000     -4.740    0.304   -3.599
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 XYP      O4B    n/a    C4B    START
 XYP      HO4B   O4B    .      .
 XYP      C4B    O4B    C5B    .
 XYP      H4B    C4B    .      .
 XYP      C3B    C4B    C2B    .
 XYP      H3B    C3B    .      .
 XYP      O3B    C3B    HO3B   .
 XYP      HO3B   O3B    .      .
 XYP      C2B    C3B    O2B    .
 XYP      H2B    C2B    .      .
 XYP      O2B    C2B    HO2B   .
 XYP      HO2B   O2B    .      .
 XYP      C5B    C4B    O5B    .
 XYP      H5B1   C5B    .      .
 XYP      H5B2   C5B    .      .
 XYP      O5B    C5B    C1B    .
 XYP      C1B    O5B    O4A    .
 XYP      H1B    C1B    .      .
 XYP      O4A    C1B    HO4A   .
 XYP      HO4A   O4A    .      END
 XYP      C1B    C2B    .    ADD
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 XYP      O4A    C1B       single      1.432    0.020
 XYP      HO4A   O4A       single      0.967    0.020
 XYP      C1B    C2B       single      1.524    0.020
 XYP      C1B    O5B       single      1.426    0.020
 XYP      H1B    C1B       single      1.099    0.020
 XYP      C2B    C3B       single      1.524    0.020
 XYP      O2B    C2B       single      1.432    0.020
 XYP      H2B    C2B       single      1.099    0.020
 XYP      C3B    C4B       single      1.524    0.020
 XYP      O3B    C3B       single      1.432    0.020
 XYP      H3B    C3B       single      1.099    0.020
 XYP      C5B    C4B       single      1.524    0.020
 XYP      C4B    O4B       single      1.432    0.020
 XYP      H4B    C4B       single      1.099    0.020
 XYP      O5B    C5B       single      1.426    0.020
 XYP      H5B1   C5B       single      1.092    0.020
 XYP      H5B2   C5B       single      1.092    0.020
 XYP      HO2B   O2B       single      0.967    0.020
 XYP      HO3B   O3B       single      0.967    0.020
 XYP      HO4B   O4B       single      0.967    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 XYP      HO4B   O4B    C4B     109.470    3.000
 XYP      O4B    C4B    H4B     109.470    3.000
 XYP      O4B    C4B    C3B     109.470    3.000
 XYP      O4B    C4B    C5B     109.470    3.000
 XYP      H4B    C4B    C3B     108.340    3.000
 XYP      H4B    C4B    C5B     108.340    3.000
 XYP      C3B    C4B    C5B     111.000    3.000
 XYP      C4B    C3B    H3B     108.340    3.000
 XYP      C4B    C3B    O3B     109.470    3.000
 XYP      C4B    C3B    C2B     111.000    3.000
 XYP      H3B    C3B    O3B     109.470    3.000
 XYP      H3B    C3B    C2B     108.340    3.000
 XYP      O3B    C3B    C2B     109.470    3.000
 XYP      C3B    O3B    HO3B    109.470    3.000
 XYP      C3B    C2B    H2B     108.340    3.000
 XYP      C3B    C2B    O2B     109.470    3.000
 XYP      C3B    C2B    C1B     111.000    3.000
 XYP      H2B    C2B    O2B     109.470    3.000
 XYP      H2B    C2B    C1B     108.340    3.000
 XYP      O2B    C2B    C1B     109.470    3.000
 XYP      C2B    O2B    HO2B    109.470    3.000
 XYP      C4B    C5B    H5B1    109.470    3.000
 XYP      C4B    C5B    H5B2    109.470    3.000
 XYP      C4B    C5B    O5B     109.470    3.000
 XYP      H5B1   C5B    H5B2    107.900    3.000
 XYP      H5B1   C5B    O5B     109.470    3.000
 XYP      H5B2   C5B    O5B     109.470    3.000
 XYP      C5B    O5B    C1B     111.800    3.000
 XYP      O5B    C1B    H1B     109.470    3.000
 XYP      O5B    C1B    O4A     109.470    3.000
 XYP      O5B    C1B    C2B     109.470    3.000
 XYP      H1B    C1B    O4A     109.470    3.000
 XYP      H1B    C1B    C2B     108.340    3.000
 XYP      O4A    C1B    C2B     109.470    3.000
 XYP      C1B    O4A    HO4A    109.470    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 XYP      var_1    HO4B   O4B    C4B    C5B      -60.078   20.000   1
 XYP      var_2    O4B    C4B    C3B    C2B      180.000   20.000   3
 XYP      var_3    C4B    C3B    O3B    HO3B      60.597   20.000   1
 XYP      var_4    C4B    C3B    C2B    O2B      180.000   20.000   3
 XYP      var_5    C3B    C2B    O2B    HO2B     179.738   20.000   1
 XYP      var_6    O4B    C4B    C5B    O5B      180.000   20.000   3
 XYP      var_7    C4B    C5B    O5B    C1B       60.000   20.000   1
 XYP      var_8    C5B    O5B    C1B    O4A      180.000   20.000   1
 XYP      var_9    O5B    C1B    C2B    C3B       60.000   20.000   3
 XYP      var_10   O5B    C1B    O4A    HO4A     -59.931   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 XYP      chir_01  C1B    O4A    C2B    O5B       negativ
 XYP      chir_02  C2B    C1B    C3B    O2B       negativ
 XYP      chir_03  C3B    C2B    C4B    O3B       positiv
 XYP      chir_04  C4B    C3B    C5B    O4B       negativ
# ------------------------------------------------------
