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
NO3      NO3 'NITRATE ION                         ' non-polymer         4   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NO3
#
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
 NO3           O3     O    O        -1.000      0.000    0.000    0.000
 NO3           N      N    N         1.000     -1.085    0.555   -0.001
 NO3           O1     O    O         0.000     -2.108   -0.107    0.000
 NO3           O2     O    O        -1.000     -1.146    1.770    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
 NO3      O3     n/a    N      START
 NO3      N      O3     O2     .
 NO3      O1     N      .      .
 NO3      O2     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
 NO3      O1     N         double      1.220    0.020
 NO3      O2     N         single      1.400    0.020
 NO3      N      O3        single      1.400    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
 NO3      O3     N      O1      120.000    3.000
 NO3      O3     N      O2      120.000    3.000
 NO3      O1     N      O2      120.000    3.000
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
 NO3      plan-1    N         0.020
 NO3      plan-1    O1        0.000
 NO3      plan-1    O2        0.000
 NO3      plan-1    O3        0.000
# ------------------------------------------------------
