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
0CL      0CL '1,3-dichloropropane                 ' non-polymer        11   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_0CL
#
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
 0CL           CL5    CL   CL        0.000      0.000    0.000    0.000
 0CL           C4     C    CH2       0.000     -1.548   -0.924    0.000
 0CL           H4     H    H         0.000     -1.596   -1.553    0.891
 0CL           H4A    H    H         0.000     -1.596   -1.553   -0.891
 0CL           C3     C    CH2       0.000     -2.725    0.054    0.000
 0CL           H3     H    H         0.000     -2.675    0.683   -0.891
 0CL           H3A    H    H         0.000     -2.675    0.683    0.891
 0CL           C2     C    CH2       0.000     -4.039   -0.730    0.000
 0CL           H2A    H    H         0.000     -4.086   -1.360    0.891
 0CL           H2     H    H         0.000     -4.086   -1.360   -0.891
 0CL           CL1    CL   CL        0.000     -5.426    0.421    0.000
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
 0CL      CL5    n/a    C4     START
 0CL      C4     CL5    C3     .
 0CL      H4     C4     .      .
 0CL      H4A    C4     .      .
 0CL      C3     C4     C2     .
 0CL      H3     C3     .      .
 0CL      H3A    C3     .      .
 0CL      C2     C3     CL1    .
 0CL      H2A    C2     .      .
 0CL      H2     C2     .      .
 0CL      CL1    C2     .      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
 0CL      CL1    C2        single      1.790    0.020
 0CL      C2     C3        single      1.524    0.020
 0CL      H2     C2        single      1.092    0.020
 0CL      H2A    C2        single      1.092    0.020
 0CL      C3     C4        single      1.524    0.020
 0CL      H3     C3        single      1.092    0.020
 0CL      H3A    C3        single      1.092    0.020
 0CL      C4     CL5       single      1.790    0.020
 0CL      H4     C4        single      1.092    0.020
 0CL      H4A    C4        single      1.092    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
 0CL      CL5    C4     H4      109.500    3.000
 0CL      CL5    C4     H4A     109.500    3.000
 0CL      CL5    C4     C3      109.500    3.000
 0CL      H4     C4     H4A     107.900    3.000
 0CL      H4     C4     C3      109.470    3.000
 0CL      H4A    C4     C3      109.470    3.000
 0CL      C4     C3     H3      109.470    3.000
 0CL      C4     C3     H3A     109.470    3.000
 0CL      C4     C3     C2      111.000    3.000
 0CL      H3     C3     H3A     107.900    3.000
 0CL      H3     C3     C2      109.470    3.000
 0CL      H3A    C3     C2      109.470    3.000
 0CL      C3     C2     H2A     109.470    3.000
 0CL      C3     C2     H2      109.470    3.000
 0CL      C3     C2     CL1     109.500    3.000
 0CL      H2A    C2     H2      107.900    3.000
 0CL      H2A    C2     CL1     109.500    3.000
 0CL      H2     C2     CL1     109.500    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
 0CL      var_1    CL5    C4     C3     C2       180.000   20.000   3
 0CL      var_2    C4     C3     C2     CL1      180.000   20.000   3
# ------------------------------------------------------
