#
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      .   'AMMONIUM ION                        ' non-polymer         5   1 .
#
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
 NH4           HN4    H    NT3       0.000
 NH4           N      N    N         0.000
 NH4           HN3    H    HNT3      0.000
 NH4           HN2    H    HNT3      0.000
 NH4           HN1    H    HNT3      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
 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      N      HN4       coval       0.980    0.020
 NH4      HN3    N         coval       0.980    0.020
 NH4      HN2    N         coval       0.980    0.020
 NH4      HN1    N         coval       0.980    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     109.000    3.000
 NH4      HN4    N      HN2     109.000    3.000
 NH4      HN4    N      HN1     109.000    3.000
 NH4      HN3    N      HN2     109.000    3.000
 NH4      HN3    N      HN1     109.000    3.000
 NH4      HN2    N      HN1     109.000    3.000
