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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
LCP LCP 'PERCHLORATE ION ' non-polymer 5 5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LCP
#
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
LCP O4 O O -1.000 0.000 0.000 0.000
LCP CL CL CL 0.000 -1.383 0.000 -0.356
LCP O1 O O 0.000 -1.676 -1.166 -1.126
LCP O2 O O 0.000 -1.676 1.166 -1.126
LCP O3 O O 0.000 -2.180 0.000 0.829
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
LCP O4 n/a CL START
LCP CL O4 O3 .
LCP O1 CL . .
LCP O2 CL . .
LCP O3 CL . 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
LCP O1 CL double 1.640 0.020
LCP O2 CL double 1.640 0.020
LCP O3 CL double 1.640 0.020
LCP CL O4 single 1.640 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
LCP O4 CL O1 120.000 3.000
LCP O4 CL O2 120.000 3.000
LCP O4 CL O3 120.000 3.000
LCP O1 CL O2 120.000 3.000
LCP O1 CL O3 120.000 3.000
LCP O2 CL O3 120.000 3.000
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
LCP chir_01 CL O4 O1 O2 both
# ------------------------------------------------------
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