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
EHN      EHN 'ETHANE                              ' non-polymer         8   2 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_EHN
#
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
 EHN           C2     C    CH3       0.000      0.000    0.000    0.000
 EHN           H4     H    H         0.000      0.222   -0.998   -0.275
 EHN           H5     H    H         0.000     -0.476    0.491   -0.809
 EHN           H6     H    H         0.000      0.898    0.507    0.242
 EHN           C1     C    CH3       0.000     -0.930    0.000    1.215
 EHN           H3     H    H         0.000     -1.827   -0.507    0.973
 EHN           H2     H    H         0.000     -0.454   -0.492    2.024
 EHN           H1     H    H         0.000     -1.151    0.998    1.490
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
 EHN      C2     n/a    C1     START
 EHN      H4     C2     .      .
 EHN      H5     C2     .      .
 EHN      H6     C2     .      .
 EHN      C1     C2     H1     .
 EHN      H3     C1     .      .
 EHN      H2     C1     .      .
 EHN      H1     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
 EHN      C1     C2        single      1.530    0.020
 EHN      H1     C1        single      1.059    0.020
 EHN      H2     C1        single      1.059    0.020
 EHN      H3     C1        single      1.059    0.020
 EHN      H4     C2        single      1.059    0.020
 EHN      H5     C2        single      1.059    0.020
 EHN      H6     C2        single      1.059    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
 EHN      H4     C2     H5      109.470    3.000
 EHN      H4     C2     H6      109.470    3.000
 EHN      H5     C2     H6      109.470    3.000
 EHN      H4     C2     C1      109.470    3.000
 EHN      H5     C2     C1      109.470    3.000
 EHN      H6     C2     C1      109.470    3.000
 EHN      C2     C1     H3      109.470    3.000
 EHN      C2     C1     H2      109.470    3.000
 EHN      C2     C1     H1      109.470    3.000
 EHN      H3     C1     H2      109.470    3.000
 EHN      H3     C1     H1      109.470    3.000
 EHN      H2     C1     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
 EHN      var_1    H6     C2     C1     H1        59.969   20.000   3
# ------------------------------------------------------
