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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
SBO SBO 'TRIHYDROXYANTIMONITE(III) ' non-polymer 7 4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SBO
#
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
SBO O3 O OH1 0.000 0.000 0.000 0.000
SBO H31 H H 0.000 0.481 -0.319 -0.776
SBO SB SB SB 0.000 -2.001 -0.351 0.175
SBO O2 O OH1 0.000 -2.982 0.500 -1.397
SBO H21 H H 0.000 -2.774 0.227 -2.301
SBO O1 O OH1 0.000 -2.683 0.454 1.920
SBO H11 H H 0.000 -2.319 0.157 2.765
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
SBO O3 n/a SB START
SBO H31 O3 . .
SBO SB O3 O1 .
SBO O2 SB H21 .
SBO H21 O2 . .
SBO O1 SB H11 .
SBO H11 O1 . 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
SBO O1 SB single 2.039 0.020
SBO O2 SB single 2.039 0.020
SBO SB O3 single 2.039 0.020
SBO H11 O1 single 0.967 0.020
SBO H21 O2 single 0.967 0.020
SBO H31 O3 single 0.967 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
SBO H31 O3 SB 120.000 3.000
SBO O3 SB O2 109.505 3.000
SBO O3 SB O1 109.498 3.000
SBO O2 SB O1 109.503 3.000
SBO SB O2 H21 120.000 3.000
SBO SB O1 H11 120.000 3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
SBO var_1 H31 O3 SB O1 179.988 20.000 1
SBO var_2 O3 SB O2 H21 59.931 20.000 1
SBO var_3 O3 SB O1 H11 -59.959 20.000 1
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
SBO chir_01 SB O3 O2 O1 both
# ------------------------------------------------------
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