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
NOB      NOB '(dihydroxyboranyloxy-hydroxy-boranyl' non-polymer        11   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NOB
#
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
 NOB           LI     LI   LI        0.000      0.000    0.000    0.000
 NOB           OB5    O    O2        0.000     -1.318    0.959    0.001
 NOB           B2     B    B         0.000     -2.549    0.249    0.001
 NOB           OB4    O    OH1       0.000     -2.549   -1.171    0.000
 NOB           HOB4   H    H         0.000     -1.712   -1.619   -0.001
 NOB           OB2    O    O2        0.000     -3.778    0.960    0.002
 NOB           B1     B    B         0.000     -4.927    0.125    0.002
 NOB           OB3    O    OH1       0.000     -6.224    0.703   -0.003
 NOB           HOB3   H    H         0.000     -6.974    0.121   -0.007
 NOB           OB1    O    OH1       0.000     -4.778   -1.287    0.001
 NOB           HOB1   H    H         0.000     -5.565   -1.820    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
 NOB      LI     n/a    OB5    START
 NOB      OB5    LI     B2     .
 NOB      B2     OB5    OB2    .
 NOB      OB4    B2     HOB4   .
 NOB      HOB4   OB4    .      .
 NOB      OB2    B2     B1     .
 NOB      B1     OB2    OB1    .
 NOB      OB3    B1     HOB3   .
 NOB      HOB3   OB3    .      .
 NOB      OB1    B1     HOB1   .
 NOB      HOB1   OB1    .      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
 NOB      OB1    B1        single      1.535    0.020
 NOB      B1     OB2       single      1.434    0.020
 NOB      OB3    B1        single      1.535    0.020
 NOB      OB2    B2        single      1.434    0.020
 NOB      OB4    B2        single      1.535    0.020
 NOB      B2     OB5       single      1.434    0.020
 NOB      OB5    LI        single      1.835    0.020
 NOB      HOB1   OB1       single      0.967    0.020
 NOB      HOB3   OB3       single      0.967    0.020
 NOB      HOB4   OB4       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
 NOB      LI     OB5    B2      120.000    3.000
 NOB      OB5    B2     OB4     120.000    3.000
 NOB      OB5    B2     OB2     120.000    3.000
 NOB      OB4    B2     OB2     120.000    3.000
 NOB      B2     OB4    HOB4    120.000    3.000
 NOB      B2     OB2    B1      120.000    3.000
 NOB      OB2    B1     OB3     120.000    3.000
 NOB      OB2    B1     OB1     120.000    3.000
 NOB      OB3    B1     OB1     120.000    3.000
 NOB      B1     OB3    HOB3    120.000    3.000
 NOB      B1     OB1    HOB1    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
 NOB      var_1    LI     OB5    B2     OB2      179.984   20.000   1
 NOB      var_2    OB5    B2     OB4    HOB4      -0.024   20.000   1
 NOB      var_3    OB5    B2     OB2    B1      -179.989   20.000   1
 NOB      var_4    B2     OB2    B1     OB1        0.042   20.000   1
 NOB      var_5    OB2    B1     OB3    HOB3     179.719   20.000   1
 NOB      var_6    OB2    B1     OB1    HOB1    -179.995   20.000   1
# ------------------------------------------------------
