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
000      000 'methyl hydrogen carbonate           ' non-polymer         9   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_000
#
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
 000           O      O    O         0.000      0.000    0.000    0.000
 000           C      C    C         0.000     -1.119   -0.473   -0.002
 000           OXT    O    OH1       0.000     -2.192    0.338    0.001
 000           HXT    H    H         0.000     -1.902    1.262    0.004
 000           OA     O    O2        0.000     -1.284   -1.808   -0.002
 000           CB     C    CH3       0.000     -0.080   -2.621   -0.006
 000           HBB    H    H         0.000      0.500   -2.408    0.857
 000           HBA    H    H         0.000     -0.341   -3.650   -0.005
 000           HB     H    H         0.000      0.494   -2.408   -0.872
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
 000      O      n/a    C      START
 000      C      O      OA     .
 000      OXT    C      HXT    .
 000      HXT    OXT    .      .
 000      OA     C      CB     .
 000      CB     OA     HB     .
 000      HBB    CB     .      .
 000      HBA    CB     .      .
 000      HB     CB     .      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
 000      OXT    C         single      1.330    0.020
 000      C      O         double      1.220    0.020
 000      OA     C         single      1.454    0.020
 000      CB     OA        single      1.426    0.020
 000      HB     CB        single      1.059    0.020
 000      HBA    CB        single      1.059    0.020
 000      HBB    CB        single      1.059    0.020
 000      HXT    OXT       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
 000      O      C      OXT     119.000    3.000
 000      O      C      OA      119.000    3.000
 000      OXT    C      OA      120.000    3.000
 000      C      OXT    HXT     109.470    3.000
 000      C      OA     CB      120.000    3.000
 000      OA     CB     HBB     109.470    3.000
 000      OA     CB     HBA     109.470    3.000
 000      OA     CB     HB      109.470    3.000
 000      HBB    CB     HBA     109.470    3.000
 000      HBB    CB     HB      109.470    3.000
 000      HBA    CB     HB      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
 000      var_1    O      C      OXT    HXT        0.022   20.000   1
 000      var_2    O      C      OA     CB        -0.290   20.000   1
 000      var_3    C      OA     CB     HB       -60.029   20.000   1
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
 000      plan-1    C         0.020
 000      plan-1    O         0.000
 000      plan-1    OA        0.000
 000      plan-1    OXT       0.000
# ------------------------------------------------------
