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
OLZ      OLZ 'O-(2-aminoethyl)-L-serine           ' peptide            21  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_OLZ
#
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
 OLZ           N      N    NH2       0.000      0.000    0.000    0.000
 OLZ           HN1    H    H         0.000      0.495    0.588   -0.661
 OLZ           HN2    H    H         0.000      0.477   -0.320    0.835
 OLZ           CA     C    CH1       0.000     -1.395   -0.386   -0.250
 OLZ           HA     H    H         0.000     -1.454   -1.473   -0.399
 OLZ           CB     C    CH2       0.000     -2.257    0.012    0.950
 OLZ           HB     H    H         0.000     -3.307   -0.192    0.727
 OLZ           HBA    H    H         0.000     -2.130    1.078    1.152
 OLZ           OG     O    O2        0.000     -1.856   -0.742    2.096
 OLZ           CD     C    CH2       0.000     -2.603   -0.446    3.277
 OLZ           HD     H    H         0.000     -3.659   -0.661    3.102
 OLZ           HDA    H    H         0.000     -2.484    0.610    3.527
 OLZ           CE     C    CH2       0.000     -2.091   -1.307    4.434
 OLZ           HE     H    H         0.000     -2.129   -2.361    4.148
 OLZ           HEA    H    H         0.000     -2.719   -1.146    5.313
 OLZ           NZ     N    NH2       0.000     -0.705   -0.933    4.745
 OLZ           HNZ2   H    H         0.000     -0.216   -0.257    4.171
 OLZ           HNZ1   H    H         0.000     -0.228   -1.349    5.537
 OLZ           C      C    C         0.000     -1.897    0.317   -1.484
 OLZ           OXT    O    OC       -0.500     -2.895   -0.125   -2.094
 OLZ           O      O    OC       -0.500     -1.316    1.345   -1.899
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
 OLZ      N      n/a    CA     START
 OLZ      HN1    N      .      .
 OLZ      HN2    N      .      .
 OLZ      CA     N      C      .
 OLZ      HA     CA     .      .
 OLZ      CB     CA     OG     .
 OLZ      HB     CB     .      .
 OLZ      HBA    CB     .      .
 OLZ      OG     CB     CD     .
 OLZ      CD     OG     CE     .
 OLZ      HD     CD     .      .
 OLZ      HDA    CD     .      .
 OLZ      CE     CD     NZ     .
 OLZ      HE     CE     .      .
 OLZ      HEA    CE     .      .
 OLZ      NZ     CE     HNZ1   .
 OLZ      HNZ2   NZ     .      .
 OLZ      HNZ1   NZ     .      .
 OLZ      C      CA     .      END
 OLZ      OXT    C      .      .
 OLZ      O      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
 OLZ      OXT    C         deloc       1.250    0.020
 OLZ      C      CA        single      1.500    0.020
 OLZ      O      C         deloc       1.250    0.020
 OLZ      CA     N         single      1.450    0.020
 OLZ      CB     CA        single      1.524    0.020
 OLZ      HA     CA        single      1.099    0.020
 OLZ      OG     CB        single      1.426    0.020
 OLZ      HB     CB        single      1.092    0.020
 OLZ      HBA    CB        single      1.092    0.020
 OLZ      CD     OG        single      1.426    0.020
 OLZ      CE     CD        single      1.524    0.020
 OLZ      HD     CD        single      1.092    0.020
 OLZ      HDA    CD        single      1.092    0.020
 OLZ      NZ     CE        single      1.450    0.020
 OLZ      HE     CE        single      1.092    0.020
 OLZ      HEA    CE        single      1.092    0.020
 OLZ      HN1    N         single      1.010    0.020
 OLZ      HN2    N         single      1.010    0.020
 OLZ      HNZ1   NZ        single      1.010    0.020
 OLZ      HNZ2   NZ        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
 OLZ      HN1    N      HN2     120.000    3.000
 OLZ      HN1    N      CA      120.000    3.000
 OLZ      HN2    N      CA      120.000    3.000
 OLZ      N      CA     HA      109.470    3.000
 OLZ      N      CA     CB      109.470    3.000
 OLZ      N      CA     C       109.470    3.000
 OLZ      HA     CA     CB      108.340    3.000
 OLZ      HA     CA     C       108.810    3.000
 OLZ      CB     CA     C       109.470    3.000
 OLZ      CA     CB     HB      109.470    3.000
 OLZ      CA     CB     HBA     109.470    3.000
 OLZ      CA     CB     OG      109.470    3.000
 OLZ      HB     CB     HBA     107.900    3.000
 OLZ      HB     CB     OG      109.470    3.000
 OLZ      HBA    CB     OG      109.470    3.000
 OLZ      CB     OG     CD      111.800    3.000
 OLZ      OG     CD     HD      109.470    3.000
 OLZ      OG     CD     HDA     109.470    3.000
 OLZ      OG     CD     CE      109.470    3.000
 OLZ      HD     CD     HDA     107.900    3.000
 OLZ      HD     CD     CE      109.470    3.000
 OLZ      HDA    CD     CE      109.470    3.000
 OLZ      CD     CE     HE      109.470    3.000
 OLZ      CD     CE     HEA     109.470    3.000
 OLZ      CD     CE     NZ      109.470    3.000
 OLZ      HE     CE     HEA     107.900    3.000
 OLZ      HE     CE     NZ      109.470    3.000
 OLZ      HEA    CE     NZ      109.470    3.000
 OLZ      CE     NZ     HNZ2    120.000    3.000
 OLZ      CE     NZ     HNZ1    120.000    3.000
 OLZ      HNZ2   NZ     HNZ1    120.000    3.000
 OLZ      CA     C      OXT     118.500    3.000
 OLZ      CA     C      O       118.500    3.000
 OLZ      OXT    C      O       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
 OLZ      var_1    HN2    N      CA     C        175.000   20.000   1
 OLZ      var_2    N      CA     CB     OG       -64.996   20.000   3
 OLZ      var_3    CA     CB     OG     CD      -179.974   20.000   1
 OLZ      var_4    CB     OG     CD     CE      -179.992   20.000   1
 OLZ      var_5    OG     CD     CE     NZ        64.968   20.000   3
 OLZ      var_6    CD     CE     NZ     HNZ1     175.000   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
 OLZ      chir_01  CA     C      N      CB        negativ
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
 OLZ      plan-1    C         0.020
 OLZ      plan-1    OXT       0.020
 OLZ      plan-1    O         0.020
 OLZ      plan-1    CA        0.020
 OLZ      plan-2    N         0.020
 OLZ      plan-2    CA        0.020
 OLZ      plan-2    HN1       0.020
 OLZ      plan-2    HN2       0.020
 OLZ      plan-3    NZ        0.020
 OLZ      plan-3    CE        0.020
 OLZ      plan-3    HNZ1      0.020
 OLZ      plan-3    HNZ2      0.020
# ------------------------------------------------------
