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
ONL      ONL '5-OXO-L-NORLEUCINE                  ' peptide            20  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ONL
#
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
 ONL           N      N    NH2       0.000      0.000    0.000    0.000
 ONL           HN1    H    H         0.000      0.843   -0.328   -0.456
 ONL           HN2    H    H         0.000     -0.179    0.996    0.056
 ONL           CA     C    CH1       0.000     -0.954   -0.959    0.574
 ONL           HA     H    H         0.000     -0.990   -0.830    1.665
 ONL           CB     C    CH2       0.000     -2.344   -0.709   -0.015
 ONL           HB1    H    H         0.000     -3.032   -1.478    0.343
 ONL           HB2    H    H         0.000     -2.288   -0.750   -1.105
 ONL           CG     C    CH2       0.000     -2.844    0.669    0.421
 ONL           HG1    H    H         0.000     -2.153    1.436    0.065
 ONL           HG2    H    H         0.000     -2.897    0.708    1.511
 ONL           CD     C    C         0.000     -4.212    0.914   -0.160
 ONL           CE     C    CH3       0.000     -4.930    2.210    0.122
 ONL           HE3    H    H         0.000     -5.976    2.044    0.117
 ONL           HE2    H    H         0.000     -4.637    2.578    1.072
 ONL           HE1    H    H         0.000     -4.682    2.922   -0.622
 ONL           OD     O    O         0.000     -4.734    0.073   -0.850
 ONL           C      C    C         0.000     -0.513   -2.362    0.249
 ONL           O      O    OC       -0.500      0.277   -2.565   -0.700
 ONL           OXT    O    OC       -0.500     -0.938   -3.324    0.926
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
 ONL      N      n/a    CA     START
 ONL      HN1    N      .      .
 ONL      HN2    N      .      .
 ONL      CA     N      C      .
 ONL      HA     CA     .      .
 ONL      CB     CA     CG     .
 ONL      HB1    CB     .      .
 ONL      HB2    CB     .      .
 ONL      CG     CB     CD     .
 ONL      HG1    CG     .      .
 ONL      HG2    CG     .      .
 ONL      CD     CG     OD     .
 ONL      CE     CD     HE1    .
 ONL      HE3    CE     .      .
 ONL      HE2    CE     .      .
 ONL      HE1    CE     .      .
 ONL      OD     CD     .      .
 ONL      C      CA     .      END
 ONL      O      C      .      .
 ONL      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
 ONL      CA     N         single      1.450    0.020
 ONL      C      CA        single      1.500    0.020
 ONL      CB     CA        single      1.524    0.020
 ONL      HA     CA        single      1.099    0.020
 ONL      O      C         deloc       1.250    0.020
 ONL      OXT    C         deloc       1.250    0.020
 ONL      CG     CB        single      1.524    0.020
 ONL      HB1    CB        single      1.092    0.020
 ONL      HB2    CB        single      1.092    0.020
 ONL      CD     CG        single      1.510    0.020
 ONL      HG1    CG        single      1.092    0.020
 ONL      HG2    CG        single      1.092    0.020
 ONL      OD     CD        double      1.220    0.020
 ONL      CE     CD        single      1.500    0.020
 ONL      HE1    CE        single      1.059    0.020
 ONL      HE2    CE        single      1.059    0.020
 ONL      HE3    CE        single      1.059    0.020
 ONL      HN1    N         single      1.010    0.020
 ONL      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
 ONL      HN1    N      HN2     120.000    3.000
 ONL      HN1    N      CA      120.000    3.000
 ONL      HN2    N      CA      120.000    3.000
 ONL      N      CA     HA      109.470    3.000
 ONL      N      CA     CB      109.470    3.000
 ONL      N      CA     C       109.470    3.000
 ONL      HA     CA     CB      108.340    3.000
 ONL      HA     CA     C       108.810    3.000
 ONL      CB     CA     C       109.470    3.000
 ONL      CA     CB     HB1     109.470    3.000
 ONL      CA     CB     HB2     109.470    3.000
 ONL      CA     CB     CG      111.000    3.000
 ONL      HB1    CB     HB2     107.900    3.000
 ONL      HB1    CB     CG      109.470    3.000
 ONL      HB2    CB     CG      109.470    3.000
 ONL      CB     CG     HG1     109.470    3.000
 ONL      CB     CG     HG2     109.470    3.000
 ONL      CB     CG     CD      109.470    3.000
 ONL      HG1    CG     HG2     107.900    3.000
 ONL      HG1    CG     CD      109.470    3.000
 ONL      HG2    CG     CD      109.470    3.000
 ONL      CG     CD     CE      120.000    3.000
 ONL      CG     CD     OD      120.500    3.000
 ONL      CE     CD     OD      123.000    3.000
 ONL      CD     CE     HE3     109.470    3.000
 ONL      CD     CE     HE2     109.470    3.000
 ONL      CD     CE     HE1     109.470    3.000
 ONL      HE3    CE     HE2     109.470    3.000
 ONL      HE3    CE     HE1     109.470    3.000
 ONL      HE2    CE     HE1     109.470    3.000
 ONL      CA     C      O       118.500    3.000
 ONL      CA     C      OXT     118.500    3.000
 ONL      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
 ONL      var_1    HN2    N      CA     C        175.000   20.000   1
 ONL      var_2    N      CA     CB     CG       -65.010   20.000   3
 ONL      var_3    CA     CB     CG     CD       179.972   20.000   3
 ONL      var_4    CB     CG     CD     OD         0.048   20.000   3
 ONL      var_5    CG     CD     CE     HE1       90.053   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
 ONL      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
 ONL      plan-1    N         0.020
 ONL      plan-1    CA        0.020
 ONL      plan-1    HN1       0.020
 ONL      plan-1    HN2       0.020
 ONL      plan-2    C         0.020
 ONL      plan-2    CA        0.020
 ONL      plan-2    O         0.020
 ONL      plan-2    OXT       0.020
 ONL      plan-3    CD        0.020
 ONL      plan-3    CG        0.020
 ONL      plan-3    OD        0.020
 ONL      plan-3    CE        0.020
# ------------------------------------------------------
