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
MOH      MOH 'METHANOL                            ' non-polymer         6   2 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MOH
#
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
 MOH           O      O    OH1       0.000      0.000    0.000    0.000
 MOH           HO     H    H         0.000     -0.561   -0.789    0.000
 MOH           C      C    CH3       0.000      1.376   -0.387    0.000
 MOH           H3     H    H         0.000      1.585   -0.964   -0.865
 MOH           H2     H    H         0.000      1.990    0.478    0.000
 MOH           H1     H    H         0.000      1.585   -0.964    0.865
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
 MOH      O      n/a    C      START
 MOH      HO     O      .      .
 MOH      C      O      H1     .
 MOH      H3     C      .      .
 MOH      H2     C      .      .
 MOH      H1     C      .      END
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
 MOH      C      O         single      1.413    0.020
 MOH      H1     C         single      1.059    0.020
 MOH      H2     C         single      1.059    0.020
 MOH      H3     C         single      1.059    0.020
 MOH      HO     O         single      0.967    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
 MOH      HO     O      C       109.470    3.000
 MOH      O      C      H3      109.470    3.000
 MOH      O      C      H2      109.470    3.000
 MOH      O      C      H1      109.470    3.000
 MOH      H3     C      H2      109.470    3.000
 MOH      H3     C      H1      109.470    3.000
 MOH      H2     C      H1      109.470    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
 MOH      var_1    HO     O      C      H1       -60.004   20.000   1
# ------------------------------------------------------
