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
POM      POM 'CIS-5-METHYL-4-OXOPROLINE           ' P-peptide          18  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_POM
#
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
 POM           OG     O    O         0.000      0.000    0.000    0.000
 POM           CG     C    C         0.000     -1.095   -0.075   -0.504
 POM           CD     C    CH1       0.000     -1.439   -0.631   -1.871
 POM           HD     H    H         0.000     -1.156   -1.692   -1.924
 POM           CD1    C    CH3       0.000     -0.702    0.157   -2.954
 POM           HD13   H    H         0.000     -0.967   -0.219   -3.908
 POM           HD12   H    H         0.000     -0.969    1.180   -2.892
 POM           HD11   H    H         0.000      0.344    0.058   -2.815
 POM           N      N    NH1       0.000     -2.900   -0.491   -2.053
 POM           H      H    H         0.000     -3.405   -0.430   -2.925
 POM           CB     C    CH2       0.000     -2.419    0.373    0.103
 POM           HB2    H    H         0.000     -2.610    1.438   -0.050
 POM           HB3    H    H         0.000     -2.491    0.141    1.167
 POM           CA     C    CH1       0.000     -3.465   -0.458   -0.680
 POM           HA     H    H         0.000     -3.543   -1.473   -0.268
 POM           C      C    C         0.000     -4.808    0.225   -0.673
 POM           O      O    OC       -0.500     -5.067    1.104   -1.524
 POM           OXT    O    OC       -0.500     -5.665   -0.087    0.184
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
 POM      OG     n/a    CG     START
 POM      CG     OG     CB     .
 POM      CD     CG     N      .
 POM      HD     CD     .      .
 POM      CD1    CD     HD11   .
 POM      HD13   CD1    .      .
 POM      HD12   CD1    .      .
 POM      HD11   CD1    .      .
 POM      N      CD     H      .
 POM      H      N      .      .
 POM      CB     CG     CA     .
 POM      HB2    CB     .      .
 POM      HB3    CB     .      .
 POM      CA     CB     C      .
 POM      HA     CA     .      .
 POM      C      CA     OXT    .
 POM      O      C      .      .
 POM      OXT    C      .      END
 POM      N      CA     .    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
 POM      N      CA        single      1.450    0.020
 POM      N      CD        single      1.450    0.020
 POM      H      N         single      1.010    0.020
 POM      C      CA        single      1.500    0.020
 POM      CA     CB        single      1.524    0.020
 POM      HA     CA        single      1.099    0.020
 POM      O      C         deloc       1.250    0.020
 POM      OXT    C         deloc       1.250    0.020
 POM      CB     CG        single      1.510    0.020
 POM      HB2    CB        single      1.092    0.020
 POM      HB3    CB        single      1.092    0.020
 POM      CD     CG        single      1.500    0.020
 POM      CG     OG        double      1.220    0.020
 POM      CD1    CD        single      1.524    0.020
 POM      HD     CD        single      1.099    0.020
 POM      HD11   CD1       single      1.059    0.020
 POM      HD12   CD1       single      1.059    0.020
 POM      HD13   CD1       single      1.059    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
 POM      OG     CG     CD      120.500    3.000
 POM      OG     CG     CB      120.500    3.000
 POM      CD     CG     CB      120.000    3.000
 POM      CG     CD     HD      108.810    3.000
 POM      CG     CD     CD1     109.470    3.000
 POM      CG     CD     N       111.600    3.000
 POM      HD     CD     CD1     108.340    3.000
 POM      HD     CD     N       108.550    3.000
 POM      CD1    CD     N       110.000    3.000
 POM      CD     CD1    HD13    109.470    3.000
 POM      CD     CD1    HD12    109.470    3.000
 POM      CD     CD1    HD11    109.470    3.000
 POM      HD13   CD1    HD12    109.470    3.000
 POM      HD13   CD1    HD11    109.470    3.000
 POM      HD12   CD1    HD11    109.470    3.000
 POM      CD     N      H       118.500    3.000
 POM      CD     N      CA      120.000    3.000
 POM      H      N      CA      118.500    3.000
 POM      CG     CB     HB2     109.470    3.000
 POM      CG     CB     HB3     109.470    3.000
 POM      CG     CB     CA      109.470    3.000
 POM      HB2    CB     HB3     107.900    3.000
 POM      HB2    CB     CA      109.470    3.000
 POM      HB3    CB     CA      109.470    3.000
 POM      CB     CA     HA      108.340    3.000
 POM      CB     CA     C       109.470    3.000
 POM      CB     CA     N       110.000    3.000
 POM      HA     CA     C       108.810    3.000
 POM      HA     CA     N       108.550    3.000
 POM      C      CA     N       111.600    3.000
 POM      CA     C      O       118.500    3.000
 POM      CA     C      OXT     118.500    3.000
 POM      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
 POM      var_1    OG     CG     CD     N        180.000   20.000   3
 POM      var_2    CG     CD     CD1    HD11      61.586   20.000   3
 POM      var_3    CG     CD     N      CA       -30.000   20.000   3
 POM      var_4    CD     N      CA     CB        30.000   20.000   3
 POM      var_5    OG     CG     CB     CA      -150.000   20.000   3
 POM      var_6    CG     CB     CA     C       -150.000   20.000   3
 POM      var_7    CB     CA     C      OXT      -95.059   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
 POM      chir_01  CA     N      C      CB        positiv
 POM      chir_02  CD     N      CG     CD1       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
 POM      plan-1    N         0.020
 POM      plan-1    CA        0.020
 POM      plan-1    CD        0.020
 POM      plan-1    H         0.020
 POM      plan-2    C         0.020
 POM      plan-2    CA        0.020
 POM      plan-2    O         0.020
 POM      plan-2    OXT       0.020
 POM      plan-3    CG        0.020
 POM      plan-3    CB        0.020
 POM      plan-3    CD        0.020
 POM      plan-3    OG        0.020
# ------------------------------------------------------
