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
M0H      M0H 'S-(HYDROXYMETHYL)-L-CYSTEINE        ' peptide            17   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_M0H
#
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
 M0H           N      N    NH2       0.000      0.000    0.000    0.000
 M0H           HN1    H    H         0.000      0.867    0.261    0.456
 M0H           HN2    H    H         0.000     -0.174   -0.975   -0.217
 M0H           CA     C    CH1       0.000     -0.995    1.025   -0.343
 M0H           HA     H    H         0.000     -1.097    1.085   -1.436
 M0H           CB     C    CH2       0.000     -2.344    0.653    0.276
 M0H           HB1    H    H         0.000     -3.083    1.416    0.022
 M0H           HB2    H    H         0.000     -2.242    0.594    1.362
 M0H           SG     S    S2        0.000     -2.883   -0.953   -0.370
 M0H           CD     C    CH2       0.000     -4.472   -1.217    0.466
 M0H           HD1    H    H         0.000     -4.371   -0.968    1.525
 M0H           HD2    H    H         0.000     -4.766   -2.264    0.366
 M0H           OE     O    OH1       0.000     -5.467   -0.381   -0.129
 M0H           HE     H    H         0.000     -6.314   -0.521    0.317
 M0H           C      C    C         0.000     -0.547    2.360    0.195
 M0H           OXT    O    OC       -0.500      0.299    2.411    1.115
 M0H           O      O    OC       -0.500     -1.020    3.416   -0.280
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
 M0H      N      n/a    CA     START
 M0H      HN1    N      .      .
 M0H      HN2    N      .      .
 M0H      CA     N      C      .
 M0H      HA     CA     .      .
 M0H      CB     CA     SG     .
 M0H      HB1    CB     .      .
 M0H      HB2    CB     .      .
 M0H      SG     CB     CD     .
 M0H      CD     SG     OE     .
 M0H      HD1    CD     .      .
 M0H      HD2    CD     .      .
 M0H      OE     CD     HE     .
 M0H      HE     OE     .      .
 M0H      C      CA     .      END
 M0H      OXT    C      .      .
 M0H      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
 M0H      OXT    C         deloc       1.250    0.020
 M0H      O      C         deloc       1.250    0.020
 M0H      C      CA        single      1.500    0.020
 M0H      CA     N         single      1.450    0.020
 M0H      CB     CA        single      1.524    0.020
 M0H      HA     CA        single      1.099    0.020
 M0H      SG     CB        single      1.762    0.020
 M0H      HB1    CB        single      1.092    0.020
 M0H      HB2    CB        single      1.092    0.020
 M0H      CD     SG        single      1.762    0.020
 M0H      OE     CD        single      1.432    0.020
 M0H      HD1    CD        single      1.092    0.020
 M0H      HD2    CD        single      1.092    0.020
 M0H      HE     OE        single      0.967    0.020
 M0H      HN1    N         single      1.010    0.020
 M0H      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
 M0H      HN1    N      HN2     120.000    3.000
 M0H      HN1    N      CA      120.000    3.000
 M0H      HN2    N      CA      120.000    3.000
 M0H      N      CA     HA      109.470    3.000
 M0H      N      CA     CB      109.470    3.000
 M0H      N      CA     C       109.470    3.000
 M0H      HA     CA     CB      108.340    3.000
 M0H      HA     CA     C       108.810    3.000
 M0H      CB     CA     C       109.470    3.000
 M0H      CA     CB     HB1     109.470    3.000
 M0H      CA     CB     HB2     109.470    3.000
 M0H      CA     CB     SG      109.500    3.000
 M0H      HB1    CB     HB2     107.900    3.000
 M0H      HB1    CB     SG      109.500    3.000
 M0H      HB2    CB     SG      109.500    3.000
 M0H      CB     SG     CD      102.988    3.000
 M0H      SG     CD     HD1     109.500    3.000
 M0H      SG     CD     HD2     109.500    3.000
 M0H      SG     CD     OE      109.500    3.000
 M0H      HD1    CD     HD2     107.900    3.000
 M0H      HD1    CD     OE      109.470    3.000
 M0H      HD2    CD     OE      109.470    3.000
 M0H      CD     OE     HE      109.470    3.000
 M0H      CA     C      OXT     118.500    3.000
 M0H      CA     C      O       118.500    3.000
 M0H      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
 M0H      var_1    HN2    N      CA     C        175.000   20.000   1
 M0H      var_2    N      CA     CB     SG       -60.017   20.000   3
 M0H      var_3    CA     CB     SG     CD       179.994   20.000   1
 M0H      var_4    CB     SG     CD     OE        75.020   20.000   1
 M0H      var_5    SG     CD     OE     HE      -179.962   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
 M0H      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
 M0H      plan-1    C         0.020
 M0H      plan-1    OXT       0.020
 M0H      plan-1    O         0.020
 M0H      plan-1    CA        0.020
 M0H      plan-2    N         0.020
 M0H      plan-2    CA        0.020
 M0H      plan-2    HN1       0.020
 M0H      plan-2    HN2       0.020
# ------------------------------------------------------
