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
E1H      E1H 'ETHANIMINE                          ' non-polymer         8   3 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_E1H
#
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
 E1H           CB1    C    CH3       0.000      0.000    0.000    0.000
 E1H           HB11   H    H         0.000      0.159   -0.590    0.865
 E1H           HB12   H    H         0.000      0.159   -0.590   -0.865
 E1H           HB13   H    H         0.000      0.674    0.816    0.000
 E1H           CA1    C    C1        0.000     -1.415    0.519    0.000
 E1H           HA12   H    H         0.000     -1.600    1.580    0.000
 E1H           N1     N    N         0.000     -2.397   -0.302    0.000
 E1H           HN11   H    H         0.000     -3.298    0.021    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
 E1H      CB1    n/a    CA1    START
 E1H      HB11   CB1    .      .
 E1H      HB12   CB1    .      .
 E1H      HB13   CB1    .      .
 E1H      CA1    CB1    N1     .
 E1H      HA12   CA1    .      .
 E1H      N1     CA1    HN11   .
 E1H      HN11   N1     .      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
 E1H      N1     CA1       double      1.260    0.020
 E1H      HN11   N1        single      0.954    0.020
 E1H      CA1    CB1       single      1.510    0.020
 E1H      HA12   CA1       single      1.077    0.020
 E1H      HB11   CB1       single      1.059    0.020
 E1H      HB12   CB1       single      1.059    0.020
 E1H      HB13   CB1       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
 E1H      HB11   CB1    HB12    109.470    3.000
 E1H      HB11   CB1    HB13    109.470    3.000
 E1H      HB12   CB1    HB13    109.470    3.000
 E1H      HB11   CB1    CA1     109.470    3.000
 E1H      HB12   CB1    CA1     109.470    3.000
 E1H      HB13   CB1    CA1     109.470    3.000
 E1H      CB1    CA1    HA12    120.000    3.000
 E1H      CB1    CA1    N1      120.000    3.000
 E1H      HA12   CA1    N1      120.000    3.000
 E1H      CA1    N1     HN11    120.000    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
 E1H      var_1    HB13   CB1    CA1    N1       180.000   20.000   1
 E1H      CONST_1  CB1    CA1    N1     HN11     180.000    0.000   0
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
 E1H      plan-1    N1        0.020
 E1H      plan-1    CA1       0.020
 E1H      plan-1    HN11      0.020
 E1H      plan-1    CB1       0.020
 E1H      plan-1    HA12      0.020
# ------------------------------------------------------
