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
SBE      SBE '1,3,2-DIOXABOROLAN-2-OL             ' non-polymer        11   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SBE
#
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
 SBE           OE3    O    OH1       0.000      0.000    0.000    0.000
 SBE           HE3    H    H         0.000      0.757    0.083   -0.567
 SBE           BD     B    B         0.000     -1.289    0.075   -0.590
 SBE           OE2    O    O2        0.000     -1.553    0.273   -1.978
 SBE           CZ2    C    CH2       0.000     -2.869   -0.300   -2.188
 SBE           HZ22   H    H         0.000     -2.854   -1.386   -2.302
 SBE           HZ23   H    H         0.000     -3.405    0.146   -3.029
 SBE           CZ1    C    CH2       0.000     -3.582    0.072   -0.865
 SBE           HZ13   H    H         0.000     -4.382   -0.625   -0.609
 SBE           HZ12   H    H         0.000     -3.977    1.090   -0.873
 SBE           OE1    O    O2        0.000     -2.524   -0.027    0.110
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
 SBE      OE3    n/a    BD     START
 SBE      HE3    OE3    .      .
 SBE      BD     OE3    OE2    .
 SBE      OE2    BD     CZ2    .
 SBE      CZ2    OE2    CZ1    .
 SBE      HZ22   CZ2    .      .
 SBE      HZ23   CZ2    .      .
 SBE      CZ1    CZ2    OE1    .
 SBE      HZ13   CZ1    .      .
 SBE      HZ12   CZ1    .      .
 SBE      OE1    CZ1    .      END
 SBE      BD     OE1    .    ADD
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
 SBE      BD     OE1       single      1.434    0.020
 SBE      OE2    BD        single      1.434    0.020
 SBE      BD     OE3       single      1.535    0.020
 SBE      OE1    CZ1       single      1.426    0.020
 SBE      CZ2    OE2       single      1.426    0.020
 SBE      HE3    OE3       single      0.967    0.020
 SBE      CZ1    CZ2       single      1.524    0.020
 SBE      HZ12   CZ1       single      1.092    0.020
 SBE      HZ13   CZ1       single      1.092    0.020
 SBE      HZ22   CZ2       single      1.092    0.020
 SBE      HZ23   CZ2       single      1.092    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
 SBE      HE3    OE3    BD      120.000    3.000
 SBE      OE3    BD     OE2     120.000    3.000
 SBE      OE3    BD     OE1     120.000    3.000
 SBE      OE2    BD     OE1     120.000    3.000
 SBE      BD     OE2    CZ2     120.000    3.000
 SBE      OE2    CZ2    HZ22    109.470    3.000
 SBE      OE2    CZ2    HZ23    109.470    3.000
 SBE      OE2    CZ2    CZ1     109.470    3.000
 SBE      HZ22   CZ2    HZ23    107.900    3.000
 SBE      HZ22   CZ2    CZ1     109.470    3.000
 SBE      HZ23   CZ2    CZ1     109.470    3.000
 SBE      CZ2    CZ1    HZ13    109.470    3.000
 SBE      CZ2    CZ1    HZ12    109.470    3.000
 SBE      CZ2    CZ1    OE1     109.470    3.000
 SBE      HZ13   CZ1    HZ12    107.900    3.000
 SBE      HZ13   CZ1    OE1     109.470    3.000
 SBE      HZ12   CZ1    OE1     109.470    3.000
 SBE      CZ1    OE1    BD      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
 SBE      var_1    HE3    OE3    BD     OE2       -0.300   20.000   1
 SBE      var_2    OE3    BD     OE1    CZ1      180.000   20.000   1
 SBE      var_3    OE3    BD     OE2    CZ2      150.000   20.000   1
 SBE      var_4    BD     OE2    CZ2    CZ1       30.000   20.000   1
 SBE      var_5    OE2    CZ2    CZ1    OE1      -30.000   20.000   3
 SBE      var_6    CZ2    CZ1    OE1    BD        30.000   20.000   1
# ------------------------------------------------------
