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
OMH      OMH 'O-[(S)-hydroxy(methoxy)phosphoryl]-L' peptide            20  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_OMH
#
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
 OMH           N      N    NH2       0.000      0.000    0.000    0.000
 OMH           HN1    H    H         0.000      0.901    0.018    0.463
 OMH           HN2    H    H         0.000     -0.387   -0.887   -0.300
 OMH           CA     C    CH1       0.000     -0.738    1.248   -0.235
 OMH           HA     H    H         0.000     -0.819    1.428   -1.316
 OMH           CB     C    CH2       0.000     -2.139    1.133    0.370
 OMH           HB     H    H         0.000     -2.656    2.091    0.275
 OMH           HBA    H    H         0.000     -2.058    0.868    1.426
 OMH           OG     O    O2        0.000     -2.875    0.123   -0.322
 OMH           P      P    P         0.000     -4.392   -0.266    0.051
 OMH           O3     O    OP       -0.500     -5.281    0.889   -0.224
 OMH           O2     O    OP       -0.500     -4.473   -0.622    1.488
 OMH           O1     O    O2        0.000     -4.857   -1.524   -0.840
 OMH           C31    C    CH3       0.000     -6.119   -2.175   -0.670
 OMH           H31B   H    H         0.000     -6.900   -1.479   -0.835
 OMH           H31A   H    H         0.000     -6.203   -2.970   -1.364
 OMH           H31    H    H         0.000     -6.190   -2.557    0.315
 OMH           C      C    C         0.000     -0.004    2.395    0.412
 OMH           O      O    OC       -0.500      0.827    2.173    1.320
 OMH           OXT    O    OC       -0.500     -0.230    3.569    0.043
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
 OMH      N      n/a    CA     START
 OMH      HN1    N      .      .
 OMH      HN2    N      .      .
 OMH      CA     N      C      .
 OMH      HA     CA     .      .
 OMH      CB     CA     OG     .
 OMH      HB     CB     .      .
 OMH      HBA    CB     .      .
 OMH      OG     CB     P      .
 OMH      P      OG     O1     .
 OMH      O3     P      .      .
 OMH      O2     P      .      .
 OMH      O1     P      C31    .
 OMH      C31    O1     H31    .
 OMH      H31B   C31    .      .
 OMH      H31A   C31    .      .
 OMH      H31    C31    .      .
 OMH      C      CA     .      END
 OMH      O      C      .      .
 OMH      OXT    C      .      .
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
 OMH      O      C         deloc       1.250    0.020
 OMH      OXT    C         deloc       1.250    0.020
 OMH      C      CA        single      1.500    0.020
 OMH      CA     N         single      1.450    0.020
 OMH      CB     CA        single      1.524    0.020
 OMH      OG     CB        single      1.426    0.020
 OMH      P      OG        single      1.610    0.020
 OMH      O3     P         deloc       1.510    0.020
 OMH      O2     P         deloc       1.510    0.020
 OMH      O1     P         single      1.610    0.020
 OMH      C31    O1        single      1.426    0.020
 OMH      HA     CA        single      1.099    0.020
 OMH      HB     CB        single      1.092    0.020
 OMH      HBA    CB        single      1.092    0.020
 OMH      H31    C31       single      1.059    0.020
 OMH      H31A   C31       single      1.059    0.020
 OMH      H31B   C31       single      1.059    0.020
 OMH      HN1    N         single      1.010    0.020
 OMH      HN2    N         single      1.010    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
 OMH      HN1    N      HN2     120.000    3.000
 OMH      HN1    N      CA      120.000    3.000
 OMH      HN2    N      CA      120.000    3.000
 OMH      N      CA     HA      109.470    3.000
 OMH      N      CA     CB      109.470    3.000
 OMH      N      CA     C       109.470    3.000
 OMH      HA     CA     CB      108.340    3.000
 OMH      HA     CA     C       108.810    3.000
 OMH      CB     CA     C       109.470    3.000
 OMH      CA     CB     HB      109.470    3.000
 OMH      CA     CB     HBA     109.470    3.000
 OMH      CA     CB     OG      109.470    3.000
 OMH      HB     CB     HBA     107.900    3.000
 OMH      HB     CB     OG      109.470    3.000
 OMH      HBA    CB     OG      109.470    3.000
 OMH      CB     OG     P       120.500    3.000
 OMH      OG     P      O3      108.200    3.000
 OMH      OG     P      O2      108.200    3.000
 OMH      OG     P      O1      102.600    3.000
 OMH      O3     P      O2      119.900    3.000
 OMH      O3     P      O1      108.200    3.000
 OMH      O2     P      O1      108.200    3.000
 OMH      P      O1     C31     120.000    3.000
 OMH      O1     C31    H31B    109.470    3.000
 OMH      O1     C31    H31A    109.470    3.000
 OMH      O1     C31    H31     109.470    3.000
 OMH      H31B   C31    H31A    109.470    3.000
 OMH      H31B   C31    H31     109.470    3.000
 OMH      H31A   C31    H31     109.470    3.000
 OMH      CA     C      O       118.500    3.000
 OMH      CA     C      OXT     118.500    3.000
 OMH      O      C      OXT     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
 OMH      var_1    HN2    N      CA     C        175.000   20.000   1
 OMH      var_2    N      CA     CB     OG       -64.981   20.000   3
 OMH      var_3    CA     CB     OG     P       -179.964   20.000   1
 OMH      var_4    CB     OG     P      O1      -175.007   20.000   1
 OMH      var_5    OG     P      O1     C31      174.973   20.000   1
 OMH      var_6    P      O1     C31    H31      -60.041   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
 OMH      chir_01  CA     C      N      CB        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
 OMH      plan-1    C         0.020
 OMH      plan-1    O         0.020
 OMH      plan-1    CA        0.020
 OMH      plan-1    OXT       0.020
 OMH      plan-2    N         0.020
 OMH      plan-2    CA        0.020
 OMH      plan-2    HN1       0.020
 OMH      plan-2    HN2       0.020
# ------------------------------------------------------
