#
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
CO3      .   'CARBONATE ION                       ' non-polymer         4   4 .
#
data_comp_CO3
#
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
 CO3           O3     O    O         0.000
 CO3           C      C    C         0.000
 CO3           O1     O    O         0.000
 CO3           O2     O    O         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
 CO3      O3     n/a    C      START
 CO3      C      O3     O2     .
 CO3      O1     C      .      .
 CO3      O2     C      .      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
 CO3      C      O3        coval       1.300    0.020
 CO3      O1     C         coval       1.300    0.020
 CO3      O2     C         coval       1.300    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
 CO3      O3     C      O1      120.000    3.000
 CO3      O3     C      O2      120.000    3.000
 CO3      O1     C      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
 CO3      plan-1    C         0.020
 CO3      plan-1    O1        0.020
 CO3      plan-1    O2        0.020
 CO3      plan-1    O3        0.020
