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
RAT      RAT 'D-arabinaric acid                   ' non-polymer        18  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_RAT
#
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
 RAT           O5B    O    OC       -0.500      0.000    0.000    0.000
 RAT           C5     C    C         0.000     -0.676    0.111   -1.047
 RAT           O5A    O    OC       -0.500     -0.228   -0.327   -2.130
 RAT           C4     C    CH1       0.000     -2.028    0.773   -1.005
 RAT           H4     H    H         0.000     -1.932    1.776   -0.564
 RAT           O4     O    OH1       0.000     -2.548    0.884   -2.331
 RAT           HO4    H    H         0.000     -2.631    0.002   -2.718
 RAT           C3     C    CH1       0.000     -2.981   -0.069   -0.153
 RAT           H3     H    H         0.000     -2.630   -0.080    0.888
 RAT           O3     O    OH1       0.000     -3.017   -1.405   -0.658
 RAT           HO3    H    H         0.000     -3.325   -1.395   -1.574
 RAT           C2     C    CH1       0.000     -4.386    0.534   -0.212
 RAT           H2     H    H         0.000     -4.737    0.545   -1.253
 RAT           O2     O    OH1       0.000     -4.351    1.871    0.294
 RAT           HO2    H    H         0.000     -4.042    1.861    1.210
 RAT           C1     C    C         0.000     -5.324   -0.295    0.627
 RAT           O1A    O    OC       -0.500     -5.576   -1.476    0.302
 RAT           O1B    O    OC       -0.500     -5.852    0.198    1.649
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
 RAT      O5B    n/a    C5     START
 RAT      C5     O5B    C4     .
 RAT      O5A    C5     .      .
 RAT      C4     C5     C3     .
 RAT      H4     C4     .      .
 RAT      O4     C4     HO4    .
 RAT      HO4    O4     .      .
 RAT      C3     C4     C2     .
 RAT      H3     C3     .      .
 RAT      O3     C3     HO3    .
 RAT      HO3    O3     .      .
 RAT      C2     C3     C1     .
 RAT      H2     C2     .      .
 RAT      O2     C2     HO2    .
 RAT      HO2    O2     .      .
 RAT      C1     C2     O1B    .
 RAT      O1A    C1     .      .
 RAT      O1B    C1     .      END
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
 RAT      O1A    C1        deloc       1.250    0.020
 RAT      C1     C2        single      1.500    0.020
 RAT      O1B    C1        deloc       1.250    0.020
 RAT      O2     C2        single      1.432    0.020
 RAT      C2     C3        single      1.524    0.020
 RAT      H2     C2        single      1.099    0.020
 RAT      HO2    O2        single      0.967    0.020
 RAT      C3     C4        single      1.524    0.020
 RAT      O3     C3        single      1.432    0.020
 RAT      H3     C3        single      1.099    0.020
 RAT      HO3    O3        single      0.967    0.020
 RAT      C4     C5        single      1.500    0.020
 RAT      O4     C4        single      1.432    0.020
 RAT      H4     C4        single      1.099    0.020
 RAT      HO4    O4        single      0.967    0.020
 RAT      O5A    C5        deloc       1.250    0.020
 RAT      C5     O5B       deloc       1.250    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
 RAT      O5B    C5     O5A     123.000    3.000
 RAT      O5B    C5     C4      118.500    3.000
 RAT      O5A    C5     C4      118.500    3.000
 RAT      C5     C4     H4      108.810    3.000
 RAT      C5     C4     O4      109.470    3.000
 RAT      C5     C4     C3      109.470    3.000
 RAT      H4     C4     O4      109.470    3.000
 RAT      H4     C4     C3      108.340    3.000
 RAT      O4     C4     C3      109.470    3.000
 RAT      C4     O4     HO4     109.470    3.000
 RAT      C4     C3     H3      108.340    3.000
 RAT      C4     C3     O3      109.470    3.000
 RAT      C4     C3     C2      111.000    3.000
 RAT      H3     C3     O3      109.470    3.000
 RAT      H3     C3     C2      108.340    3.000
 RAT      O3     C3     C2      109.470    3.000
 RAT      C3     O3     HO3     109.470    3.000
 RAT      C3     C2     H2      108.340    3.000
 RAT      C3     C2     O2      109.470    3.000
 RAT      C3     C2     C1      109.470    3.000
 RAT      H2     C2     O2      109.470    3.000
 RAT      H2     C2     C1      108.810    3.000
 RAT      O2     C2     C1      109.470    3.000
 RAT      C2     O2     HO2     109.470    3.000
 RAT      C2     C1     O1A     118.500    3.000
 RAT      C2     C1     O1B     118.500    3.000
 RAT      O1A    C1     O1B     123.000    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
 RAT      var_1    O5B    C5     C4     C3       -65.037   20.000   3
 RAT      var_2    C5     C4     O4     HO4       59.878   20.000   1
 RAT      var_3    C5     C4     C3     C2      -174.982   20.000   3
 RAT      var_4    C4     C3     O3     HO3      -59.916   20.000   1
 RAT      var_5    C4     C3     C2     C1      -179.978   20.000   3
 RAT      var_6    C3     C2     O2     HO2      -59.964   20.000   1
 RAT      var_7    C3     C2     C1     O1B      114.983   20.000   3
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
 RAT      chir_01  C2     C1     O2     C3        negativ
 RAT      chir_02  C3     C2     O3     C4        negativ
 RAT      chir_03  C4     C3     O4     C5        positiv
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 RAT      plan-1    C1        0.020
 RAT      plan-1    O1A       0.020
 RAT      plan-1    O1B       0.020
 RAT      plan-1    C2        0.020
 RAT      plan-2    C5        0.020
 RAT      plan-2    C4        0.020
 RAT      plan-2    O5A       0.020
 RAT      plan-2    O5B       0.020
# ------------------------------------------------------
