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
NH4      NH4 'AMMONIUM ION                        ' non-polymer         5   1 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NH4
#
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
 NH4           HN4    H    H         0.000      0.000    0.000    0.000
 NH4           N      N    NT        1.000     -0.581    0.302   -0.782
 NH4           HN3    H    H         0.000     -1.232    1.041   -0.516
 NH4           HN2    H    H         0.000     -0.024    0.609   -1.579
 NH4           HN1    H    H         0.000     -1.055   -0.583   -0.962
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
 NH4      HN4    n/a    N      START
 NH4      N      HN4    HN1    .
 NH4      HN3    N      .      .
 NH4      HN2    N      .      .
 NH4      HN1    N      .      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
 NH4      HN1    N         single      1.043    0.020
 NH4      HN2    N         single      1.043    0.020
 NH4      HN3    N         single      1.043    0.020
 NH4      N      HN4       single      1.043    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
 NH4      HN4    N      HN3     109.500    3.000
 NH4      HN4    N      HN2     109.500    3.000
 NH4      HN4    N      HN1     109.500    3.000
 NH4      HN3    N      HN2     109.500    3.000
 NH4      HN3    N      HN1     109.500    3.000
 NH4      HN2    N      HN1     109.500    3.000
# ------------------------------------------------------
