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
OLT      OLT 'O-METHYL-L-THREONINE                ' peptide            19   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_OLT
#
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
 OLT           N      N    NH2       0.000      0.000    0.000    0.000
 OLT           HN1    H    H         0.000      0.009    0.045   -1.012
 OLT           HN2    H    H         0.000      0.865    0.134    0.511
 OLT           CA     C    CH1       0.000     -1.254   -0.257    0.720
 OLT           HCA    H    H         0.000     -1.187   -1.222    1.241
 OLT           CB     C    CH1       0.000     -1.495    0.858    1.739
 OLT           HB     H    H         0.000     -2.385    0.621    2.339
 OLT           CG2    C    CH3       0.000     -0.278    0.979    2.660
 OLT           HG23   H    H         0.000     -0.443    1.752    3.366
 OLT           HG22   H    H         0.000     -0.126    0.063    3.169
 OLT           HG21   H    H         0.000      0.581    1.208    2.083
 OLT           OG1    O    O2        0.000     -1.699    2.095    1.054
 OLT           CD1    C    CH3       0.000     -2.568    2.882    1.871
 OLT           HD13   H    H         0.000     -2.749    3.813    1.401
 OLT           HD12   H    H         0.000     -3.486    2.370    2.005
 OLT           HD11   H    H         0.000     -2.115    3.045    2.815
 OLT           C      C    C         0.000     -2.398   -0.295   -0.262
 OLT           O      O    OC       -0.500     -2.272    0.234   -1.389
 OLT           OXT    O    OC       -0.500     -3.472   -0.855    0.050
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
 OLT      N      n/a    CA     START
 OLT      HN1    N      .      .
 OLT      HN2    N      .      .
 OLT      CA     N      C      .
 OLT      HCA    CA     .      .
 OLT      CB     CA     OG1    .
 OLT      HB     CB     .      .
 OLT      CG2    CB     HG21   .
 OLT      HG23   CG2    .      .
 OLT      HG22   CG2    .      .
 OLT      HG21   CG2    .      .
 OLT      OG1    CB     CD1    .
 OLT      CD1    OG1    HD11   .
 OLT      HD13   CD1    .      .
 OLT      HD12   CD1    .      .
 OLT      HD11   CD1    .      .
 OLT      C      CA     .      END
 OLT      O      C      .      .
 OLT      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
 OLT      CA     N         single      1.450    0.020
 OLT      C      CA        single      1.500    0.020
 OLT      CB     CA        single      1.524    0.020
 OLT      HCA    CA        single      1.099    0.020
 OLT      O      C         deloc       1.250    0.020
 OLT      OXT    C         deloc       1.250    0.020
 OLT      OG1    CB        single      1.426    0.020
 OLT      CG2    CB        single      1.524    0.020
 OLT      HB     CB        single      1.099    0.020
 OLT      CD1    OG1       single      1.426    0.020
 OLT      HG21   CG2       single      1.059    0.020
 OLT      HG22   CG2       single      1.059    0.020
 OLT      HG23   CG2       single      1.059    0.020
 OLT      HD11   CD1       single      1.059    0.020
 OLT      HD12   CD1       single      1.059    0.020
 OLT      HD13   CD1       single      1.059    0.020
 OLT      HN1    N         single      1.010    0.020
 OLT      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
 OLT      HN1    N      HN2     120.000    3.000
 OLT      HN1    N      CA      120.000    3.000
 OLT      HN2    N      CA      120.000    3.000
 OLT      N      CA     HCA     109.470    3.000
 OLT      N      CA     CB      109.470    3.000
 OLT      N      CA     C       109.470    3.000
 OLT      HCA    CA     CB      108.340    3.000
 OLT      HCA    CA     C       108.810    3.000
 OLT      CB     CA     C       109.470    3.000
 OLT      CA     CB     HB      108.340    3.000
 OLT      CA     CB     CG2     111.000    3.000
 OLT      CA     CB     OG1     109.470    3.000
 OLT      HB     CB     CG2     108.340    3.000
 OLT      HB     CB     OG1     109.470    3.000
 OLT      CG2    CB     OG1     109.470    3.000
 OLT      CB     CG2    HG23    109.470    3.000
 OLT      CB     CG2    HG22    109.470    3.000
 OLT      CB     CG2    HG21    109.470    3.000
 OLT      HG23   CG2    HG22    109.470    3.000
 OLT      HG23   CG2    HG21    109.470    3.000
 OLT      HG22   CG2    HG21    109.470    3.000
 OLT      CB     OG1    CD1     111.800    3.000
 OLT      OG1    CD1    HD13    109.470    3.000
 OLT      OG1    CD1    HD12    109.470    3.000
 OLT      OG1    CD1    HD11    109.470    3.000
 OLT      HD13   CD1    HD12    109.470    3.000
 OLT      HD13   CD1    HD11    109.470    3.000
 OLT      HD12   CD1    HD11    109.470    3.000
 OLT      CA     C      O       118.500    3.000
 OLT      CA     C      OXT     118.500    3.000
 OLT      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
 OLT      var_1    HN2    N      CA     C        175.000   20.000   1
 OLT      var_2    N      CA     CB     OG1       64.959   20.000   3
 OLT      var_3    CA     CB     CG2    HG21      59.978   20.000   3
 OLT      var_4    CA     CB     OG1    CD1      149.978   20.000   1
 OLT      var_5    CB     OG1    CD1    HD11      60.039   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
 OLT      chir_01  CA     N      C      CB        positiv
 OLT      chir_02  CB     CA     OG1    CG2       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
 OLT      plan-1    N         0.020
 OLT      plan-1    CA        0.020
 OLT      plan-1    HN1       0.020
 OLT      plan-1    HN2       0.020
 OLT      plan-2    C         0.020
 OLT      plan-2    CA        0.020
 OLT      plan-2    O         0.020
 OLT      plan-2    OXT       0.020
# ------------------------------------------------------
