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
DAR      DAR 'D-ARGININE                          ' peptide            26  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DAR
#
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
 DAR           N      N    NH2       0.000      0.106    0.001    0.032
 DAR           HN1    H    H         0.000      0.815   -0.595    0.433
 DAR           HN2    H    H         0.000      0.209    1.004    0.064
 DAR           CA     C    CH1       0.000     -1.059   -0.584   -0.590
 DAR           HA     H    H         0.000     -1.088   -0.280   -1.646
 DAR           CB     C    CH2       0.000     -2.357   -0.167    0.077
 DAR           HB2    H    H         0.000     -2.274   -0.402    1.140
 DAR           HB3    H    H         0.000     -3.161   -0.761   -0.364
 DAR           CG     C    CH2       0.000     -2.663    1.302   -0.094
 DAR           HG2    H    H         0.000     -2.780    1.540   -1.153
 DAR           HG3    H    H         0.000     -1.854    1.904    0.326
 DAR           CD     C    CH2       0.000     -3.954    1.606    0.639
 DAR           HD2    H    H         0.000     -3.880    1.313    1.689
 DAR           HD3    H    H         0.000     -4.794    1.085    0.175
 DAR           NE     N    NH1       0.000     -4.160    3.026    0.550
 DAR           HNE    H    H         0.000     -3.504    3.577    0.014
 DAR           CZ     C    C         0.000     -5.166    3.639    1.136
 DAR           NH2    N    NH2       1.000     -5.285    4.965    0.969
 DAR           HH22   H    H         0.000     -4.613    5.469    0.405
 DAR           HH21   H    H         0.000     -6.048    5.466    1.406
 DAR           NH1    N    NH2       0.000     -6.112    3.033    1.847
 DAR           HH12   H    H         0.000     -6.088    2.031    1.967
 DAR           HH11   H    H         0.000     -6.853    3.575    2.266
 DAR           C      C    C         0.000     -0.991   -2.083   -0.516
 DAR           O      O    OC       -0.500     -1.455   -2.721   -1.493
 DAR           OXT    O    OC       -0.500     -0.293   -2.674    0.339
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
 DAR      N      n/a    CA     START
 DAR      HN1    N      .      .
 DAR      HN2    N      .      .
 DAR      CA     N      C      .
 DAR      HA     CA     .      .
 DAR      CB     CA     CG     .
 DAR      HB2    CB     .      .
 DAR      HB3    CB     .      .
 DAR      CG     CB     CD     .
 DAR      HG2    CG     .      .
 DAR      HG3    CG     .      .
 DAR      CD     CG     NE     .
 DAR      HD2    CD     .      .
 DAR      HD3    CD     .      .
 DAR      NE     CD     CZ     .
 DAR      HNE    NE     .      .
 DAR      CZ     NE     NH1    .
 DAR      NH2    CZ     HH21   .
 DAR      HH22   NH2    .      .
 DAR      HH21   NH2    .      .
 DAR      NH1    CZ     HH11   .
 DAR      HH12   NH1    .      .
 DAR      HH11   NH1    .      .
 DAR      C      CA     .      END
 DAR      O      C      .      .
 DAR      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
 DAR      CA     N         single      1.450    0.020
 DAR      CB     CA        single      1.524    0.020
 DAR      C      CA        single      1.500    0.020
 DAR      HA     CA        single      1.099    0.020
 DAR      CG     CB        single      1.524    0.020
 DAR      HB2    CB        single      1.092    0.020
 DAR      HB3    CB        single      1.092    0.020
 DAR      CD     CG        single      1.524    0.020
 DAR      HG2    CG        single      1.092    0.020
 DAR      HG3    CG        single      1.092    0.020
 DAR      NE     CD        single      1.450    0.020
 DAR      HD2    CD        single      1.092    0.020
 DAR      HD3    CD        single      1.092    0.020
 DAR      CZ     NE        single      1.330    0.020
 DAR      NH1    CZ        single      1.332    0.020
 DAR      NH2    CZ        double      1.332    0.020
 DAR      O      C         deloc       1.250    0.020
 DAR      OXT    C         deloc       1.250    0.020
 DAR      HN1    N         single      1.010    0.020
 DAR      HN2    N         single      1.010    0.020
 DAR      HNE    NE        single      1.010    0.020
 DAR      HH11   NH1       single      1.010    0.020
 DAR      HH12   NH1       single      1.010    0.020
 DAR      HH21   NH2       single      1.010    0.020
 DAR      HH22   NH2       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
 DAR      HN1    N      HN2     120.000    3.000
 DAR      HN1    N      CA      120.000    3.000
 DAR      HN2    N      CA      120.000    3.000
 DAR      N      CA     HA      109.470    3.000
 DAR      N      CA     CB      109.470    3.000
 DAR      N      CA     C       109.470    3.000
 DAR      HA     CA     CB      108.340    3.000
 DAR      HA     CA     C       108.810    3.000
 DAR      CB     CA     C       109.470    3.000
 DAR      CA     CB     HB2     109.470    3.000
 DAR      CA     CB     HB3     109.470    3.000
 DAR      CA     CB     CG      111.000    3.000
 DAR      HB2    CB     HB3     107.900    3.000
 DAR      HB2    CB     CG      109.470    3.000
 DAR      HB3    CB     CG      109.470    3.000
 DAR      CB     CG     HG2     109.470    3.000
 DAR      CB     CG     HG3     109.470    3.000
 DAR      CB     CG     CD      111.000    3.000
 DAR      HG2    CG     HG3     107.900    3.000
 DAR      HG2    CG     CD      109.470    3.000
 DAR      HG3    CG     CD      109.470    3.000
 DAR      CG     CD     HD2     109.470    3.000
 DAR      CG     CD     HD3     109.470    3.000
 DAR      CG     CD     NE      112.000    3.000
 DAR      HD2    CD     HD3     107.900    3.000
 DAR      HD2    CD     NE      109.470    3.000
 DAR      HD3    CD     NE      109.470    3.000
 DAR      CD     NE     HNE     118.500    3.000
 DAR      CD     NE     CZ      121.500    3.000
 DAR      HNE    NE     CZ      120.000    3.000
 DAR      NE     CZ     NH2     120.000    3.000
 DAR      NE     CZ     NH1     120.000    3.000
 DAR      NH2    CZ     NH1     120.000    3.000
 DAR      CZ     NH2    HH22    120.000    3.000
 DAR      CZ     NH2    HH21    120.000    3.000
 DAR      HH22   NH2    HH21    120.000    3.000
 DAR      CZ     NH1    HH12    120.000    3.000
 DAR      CZ     NH1    HH11    120.000    3.000
 DAR      HH12   NH1    HH11    120.000    3.000
 DAR      CA     C      O       118.500    3.000
 DAR      CA     C      OXT     118.500    3.000
 DAR      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
 DAR      var_1    HN2    N      CA     C        180.000   20.000   3
 DAR      var_2    N      CA     CB     CG       180.000   20.000   3
 DAR      var_3    CA     CB     CG     CD       180.000   20.000   3
 DAR      var_4    CB     CG     CD     NE       180.000   20.000   3
 DAR      var_5    CG     CD     NE     CZ         0.000   20.000   3
 DAR      var_6    CD     NE     CZ     NH1      180.000   20.000   2
 DAR      CONST_1  NE     CZ     NH2    HH21     180.000    0.000   0
 DAR      CONST_2  NE     CZ     NH1    HH11     180.000    0.000   0
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
 DAR      chir_01  CA     N      CB     C         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
 DAR      plan-1    N         0.020
 DAR      plan-1    CA        0.020
 DAR      plan-1    HN1       0.020
 DAR      plan-1    HN2       0.020
 DAR      plan-2    NE        0.020
 DAR      plan-2    CD        0.020
 DAR      plan-2    CZ        0.020
 DAR      plan-2    HNE       0.020
 DAR      plan-3    CZ        0.020
 DAR      plan-3    NE        0.020
 DAR      plan-3    NH1       0.020
 DAR      plan-3    NH2       0.020
 DAR      plan-3    HH21      0.020
 DAR      plan-3    HH22      0.020
 DAR      plan-3    HNE       0.020
 DAR      plan-3    HH12      0.020
 DAR      plan-3    HH11      0.020
 DAR      plan-4    NH1       0.020
 DAR      plan-4    CZ        0.020
 DAR      plan-4    HH11      0.020
 DAR      plan-4    HH12      0.020
 DAR      plan-5    C         0.020
 DAR      plan-5    CA        0.020
 DAR      plan-5    O         0.020
 DAR      plan-5    OXT       0.020
# ------------------------------------------------------
