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
DPL      DPL '4-OXOPROLINE                        ' P-peptide          15   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DPL
#
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
 DPL           OXT    O    OC       -0.500      0.000    0.000    0.000
 DPL           C      C    C         0.000     -0.936    0.564    0.609
 DPL           O      O    OC       -0.500     -1.977   -0.014    0.992
 DPL           CA     C    CH1       0.000     -0.633    2.017    0.816
 DPL           HA     H    H         0.000     -0.498    2.509   -0.158
 DPL           CB     C    CH2       0.000      0.599    2.245    1.679
 DPL           HB2    H    H         0.000      1.137    3.163    1.436
 DPL           HB3    H    H         0.000      1.296    1.404    1.674
 DPL           CG     C    C         0.000     -0.023    2.372    3.037
 DPL           OG1    O    O         0.000      0.611    2.412    4.083
 DPL           CD     C    CH2       0.000     -1.521    2.433    2.957
 DPL           HD3    H    H         0.000     -1.937    3.275    3.515
 DPL           HD2    H    H         0.000     -1.997    1.508    3.288
 DPL           N      N    NH1       0.000     -1.768    2.626    1.523
 DPL           H      H    H         0.000     -2.564    3.087    1.105
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
 DPL      OXT    n/a    C      START
 DPL      C      OXT    CA     .
 DPL      O      C      .      .
 DPL      CA     C      CB     .
 DPL      HA     CA     .      .
 DPL      CB     CA     CG     .
 DPL      HB2    CB     .      .
 DPL      HB3    CB     .      .
 DPL      CG     CB     CD     .
 DPL      OG1    CG     .      .
 DPL      CD     CG     N      .
 DPL      HD3    CD     .      .
 DPL      HD2    CD     .      .
 DPL      N      CD     H      .
 DPL      H      N      .      END
 DPL      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
 DPL      N      CA        single      1.450    0.020
 DPL      N      CD        single      1.450    0.020
 DPL      H      N         single      1.010    0.020
 DPL      CA     C         single      1.500    0.020
 DPL      CB     CA        single      1.524    0.020
 DPL      HA     CA        single      1.099    0.020
 DPL      O      C         deloc       1.250    0.020
 DPL      C      OXT       deloc       1.250    0.020
 DPL      CG     CB        single      1.510    0.020
 DPL      HB2    CB        single      1.092    0.020
 DPL      HB3    CB        single      1.092    0.020
 DPL      CD     CG        single      1.510    0.020
 DPL      OG1    CG        double      1.220    0.020
 DPL      HD3    CD        single      1.092    0.020
 DPL      HD2    CD        single      1.092    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
 DPL      OXT    C      O       123.000    3.000
 DPL      OXT    C      CA      118.500    3.000
 DPL      O      C      CA      118.500    3.000
 DPL      C      CA     HA      108.810    3.000
 DPL      C      CA     CB      109.470    3.000
 DPL      C      CA     N       111.600    3.000
 DPL      HA     CA     CB      108.340    3.000
 DPL      HA     CA     N       108.550    3.000
 DPL      CB     CA     N       110.000    3.000
 DPL      CA     CB     HB2     109.470    3.000
 DPL      CA     CB     HB3     109.470    3.000
 DPL      CA     CB     CG      109.470    3.000
 DPL      HB2    CB     HB3     107.900    3.000
 DPL      HB2    CB     CG      109.470    3.000
 DPL      HB3    CB     CG      109.470    3.000
 DPL      CB     CG     OG1     120.500    3.000
 DPL      CB     CG     CD      120.000    3.000
 DPL      OG1    CG     CD      120.500    3.000
 DPL      CG     CD     HD3     109.470    3.000
 DPL      CG     CD     HD2     109.470    3.000
 DPL      CG     CD     N       111.600    3.000
 DPL      HD3    CD     HD2     107.900    3.000
 DPL      HD3    CD     N       109.470    3.000
 DPL      HD2    CD     N       109.470    3.000
 DPL      CD     N      H       118.500    3.000
 DPL      CD     N      CA      120.000    3.000
 DPL      H      N      CA      118.500    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
 DPL      var_1    OXT    C      CA     CB       -62.484   20.000   3
 DPL      var_2    C      CA     CB     CG       -90.000   20.000   3
 DPL      var_3    CA     CB     CG     CD         0.000   20.000   3
 DPL      var_4    CB     CG     CD     N          0.000   20.000   3
 DPL      var_5    CG     CD     N      CA        30.000   20.000   3
 DPL      var_6    CD     N      CA     C         90.000   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
 DPL      chir_01  CA     N      C      CB        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
 DPL      plan-1    N         0.020
 DPL      plan-1    CA        0.020
 DPL      plan-1    CD        0.020
 DPL      plan-1    H         0.020
 DPL      plan-2    C         0.020
 DPL      plan-2    CA        0.020
 DPL      plan-2    O         0.020
 DPL      plan-2    OXT       0.020
 DPL      plan-3    CG        0.020
 DPL      plan-3    CB        0.020
 DPL      plan-3    CD        0.020
 DPL      plan-3    OG1       0.020
# ------------------------------------------------------
