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
RES      RES '4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID' non-polymer        22  14 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_RES
#
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
 RES           O1     O    O         0.000      0.000    0.000    0.000
 RES           C1     C    C         0.000     -0.905    0.633    0.501
 RES           N      N    NH1       0.000     -0.738    1.941    0.781
 RES           H      H    H         0.000     -1.492    2.468    1.198
 RES           ON     O    OH1       0.000      0.494    2.576    0.490
 RES           HN     H    H         0.000      0.620    3.518    0.689
 RES           C2     C    CH1       0.000     -2.216   -0.042    0.810
 RES           H2     H    H         0.000     -2.462    0.104    1.871
 RES           O2     O    OH1       0.000     -2.109   -1.440    0.533
 RES           HB     H    H         0.000     -1.892   -1.567   -0.400
 RES           C3     C    CH1       0.000     -3.321    0.566   -0.057
 RES           H3     H    H         0.000     -3.075    0.421   -1.119
 RES           O3     O    OH1       0.000     -3.427    1.963    0.219
 RES           HA     H    H         0.000     -3.643    2.091    1.153
 RES           C4     C    CH2       0.000     -4.651   -0.120    0.256
 RES           H4C1   H    H         0.000     -4.939    0.099    1.287
 RES           H4C2   H    H         0.000     -4.542   -1.199    0.132
 RES           O4     O    O2        0.000     -5.659    0.365   -0.634
 RES           P      P    P         0.000     -7.025   -0.394   -0.248
 RES           O7     O    OP       -0.666     -7.320   -0.188    1.221
 RES           O5     O    OP       -0.666     -8.163    0.164   -1.074
 RES           O6     O    OP       -0.666     -6.876   -1.873   -0.530
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
 RES      O1     n/a    C1     START
 RES      C1     O1     C2     .
 RES      N      C1     ON     .
 RES      H      N      .      .
 RES      ON     N      HN     .
 RES      HN     ON     .      .
 RES      C2     C1     C3     .
 RES      H2     C2     .      .
 RES      O2     C2     HB     .
 RES      HB     O2     .      .
 RES      C3     C2     C4     .
 RES      H3     C3     .      .
 RES      O3     C3     HA     .
 RES      HA     O3     .      .
 RES      C4     C3     O4     .
 RES      H4C1   C4     .      .
 RES      H4C2   C4     .      .
 RES      O4     C4     P      .
 RES      P      O4     O6     .
 RES      O7     P      .      .
 RES      O5     P      .      .
 RES      O6     P      .      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
 RES      O7     P         deloc       1.510    0.020
 RES      O5     P         deloc       1.510    0.020
 RES      O6     P         deloc       1.510    0.020
 RES      P      O4        single      1.610    0.020
 RES      O4     C4        single      1.426    0.020
 RES      C4     C3        single      1.524    0.020
 RES      H4C1   C4        single      1.092    0.020
 RES      H4C2   C4        single      1.092    0.020
 RES      O3     C3        single      1.432    0.020
 RES      C3     C2        single      1.524    0.020
 RES      H3     C3        single      1.099    0.020
 RES      HA     O3        single      0.967    0.020
 RES      O2     C2        single      1.432    0.020
 RES      C2     C1        single      1.500    0.020
 RES      H2     C2        single      1.099    0.020
 RES      HB     O2        single      0.967    0.020
 RES      C1     O1        double      1.220    0.020
 RES      N      C1        single      1.330    0.020
 RES      ON     N         single      1.392    0.020
 RES      H      N         single      1.010    0.020
 RES      HN     ON        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
 RES      O1     C1     N       123.000    3.000
 RES      O1     C1     C2      120.500    3.000
 RES      N      C1     C2      116.500    3.000
 RES      C1     N      H       120.000    3.000
 RES      C1     N      ON      120.000    3.000
 RES      H      N      ON      120.200    3.000
 RES      N      ON     HN      120.000    3.000
 RES      C1     C2     H2      108.810    3.000
 RES      C1     C2     O2      109.470    3.000
 RES      C1     C2     C3      109.470    3.000
 RES      H2     C2     O2      109.470    3.000
 RES      H2     C2     C3      108.340    3.000
 RES      O2     C2     C3      109.470    3.000
 RES      C2     O2     HB      109.470    3.000
 RES      C2     C3     H3      108.340    3.000
 RES      C2     C3     O3      109.470    3.000
 RES      C2     C3     C4      111.000    3.000
 RES      H3     C3     O3      109.470    3.000
 RES      H3     C3     C4      108.340    3.000
 RES      O3     C3     C4      109.470    3.000
 RES      C3     O3     HA      109.470    3.000
 RES      C3     C4     H4C1    109.470    3.000
 RES      C3     C4     H4C2    109.470    3.000
 RES      C3     C4     O4      109.470    3.000
 RES      H4C1   C4     H4C2    107.900    3.000
 RES      H4C1   C4     O4      109.470    3.000
 RES      H4C2   C4     O4      109.470    3.000
 RES      C4     O4     P       120.500    3.000
 RES      O4     P      O7      108.200    3.000
 RES      O4     P      O5      108.200    3.000
 RES      O4     P      O6      108.200    3.000
 RES      O7     P      O5      119.900    3.000
 RES      O7     P      O6      119.900    3.000
 RES      O5     P      O6      119.900    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
 RES      CONST_1  O1     C1     N      ON         0.000    0.000   0
 RES      var_1    C1     N      ON     HN       179.957   20.000   1
 RES      var_2    O1     C1     C2     C3      -115.013   20.000   3
 RES      var_3    C1     C2     O2     HB       -59.948   20.000   1
 RES      var_4    C1     C2     C3     C4       179.974   20.000   3
 RES      var_5    C2     C3     O3     HA       -60.018   20.000   1
 RES      var_6    C2     C3     C4     O4      -174.980   20.000   3
 RES      var_7    C3     C4     O4     P       -179.946   20.000   1
 RES      var_8    C4     O4     P      O6       -65.029   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
 RES      chir_01  C3     C4     O3     C2        negativ
 RES      chir_02  C2     C3     O2     C1        negativ
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
 RES      plan-1    C1        0.020
 RES      plan-1    C2        0.020
 RES      plan-1    O1        0.020
 RES      plan-1    N         0.020
 RES      plan-1    H         0.020
 RES      plan-2    N         0.020
 RES      plan-2    C1        0.020
 RES      plan-2    ON        0.020
 RES      plan-2    H         0.020
# ------------------------------------------------------
