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
MCH      MCH 'trichloromethane                    ' non-polymer         5   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MCH
#
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
 MCH           CL3    CL   CL        0.000      0.000    0.000    0.000
 MCH           C1     C    CH1       0.000     -1.600    0.609    0.566
 MCH           H1     H    H         0.000     -1.635    0.581    1.655
 MCH           CL2    CL   CL        0.000     -1.832    2.305    0.000
 MCH           CL1    CL   CL        0.000     -2.911   -0.433   -0.103
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
 MCH      CL3    n/a    C1     START
 MCH      C1     CL3    CL1    .
 MCH      H1     C1     .      .
 MCH      CL2    C1     .      .
 MCH      CL1    C1     .      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
 MCH      C1     CL3       single      1.790    0.020
 MCH      CL1    C1        single      1.790    0.020
 MCH      CL2    C1        single      1.790    0.020
 MCH      H1     C1        single      1.099    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
 MCH      CL3    C1     H1      109.470    3.000
 MCH      CL3    C1     CL2     112.000    3.000
 MCH      CL3    C1     CL1     112.000    3.000
 MCH      H1     C1     CL2     109.470    3.000
 MCH      H1     C1     CL1     109.470    3.000
 MCH      CL2    C1     CL1     112.000    3.000
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
 MCH      chir_01  C1     CL2    CL1    CL3       negativ
# ------------------------------------------------------
