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
BNO      BNO 'NORLEUCINE BORONIC ACID             ' non-polymer        23   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_BNO
#
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
 BNO           O2     O    OH1       0.000      0.000    0.000    0.000
 BNO           HO2    H    H         0.000      0.518    0.773    0.189
 BNO           B      B    B         0.000     -1.142    0.147   -0.831
 BNO           O1     O    OH1       0.000     -1.481    1.423   -1.355
 BNO           HO1    H    H         0.000     -0.925    2.160   -1.132
 BNO           CA     C    CH1       0.000     -2.031   -1.102   -1.170
 BNO           HA     H    H         0.000     -2.486   -0.969   -2.162
 BNO           N      N    NH2       0.000     -1.196   -2.312   -1.173
 BNO           HN2    H    H         0.000     -1.360   -3.049   -0.497
 BNO           HN1    H    H         0.000     -0.450   -2.418   -1.852
 BNO           CB     C    CH2       0.000     -3.132   -1.246   -0.118
 BNO           HB1    H    H         0.000     -2.678   -1.379    0.867
 BNO           HB2    H    H         0.000     -3.749   -2.116   -0.354
 BNO           CG     C    CH2       0.000     -4.001    0.012   -0.114
 BNO           HG1    H    H         0.000     -4.453    0.145   -1.099
 BNO           HG2    H    H         0.000     -3.382    0.881    0.121
 BNO           CD     C    CH2       0.000     -5.103   -0.132    0.939
 BNO           HD1    H    H         0.000     -4.649   -0.265    1.923
 BNO           HD2    H    H         0.000     -5.720   -1.001    0.703
 BNO           CE     C    CH3       0.000     -5.972    1.128    0.942
 BNO           HE3    H    H         0.000     -6.413    1.259   -0.013
 BNO           HE2    H    H         0.000     -6.737    1.032    1.670
 BNO           HE1    H    H         0.000     -5.375    1.973    1.171
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
 BNO      O2     n/a    B      START
 BNO      HO2    O2     .      .
 BNO      B      O2     CA     .
 BNO      O1     B      HO1    .
 BNO      HO1    O1     .      .
 BNO      CA     B      CB     .
 BNO      HA     CA     .      .
 BNO      N      CA     HN1    .
 BNO      HN2    N      .      .
 BNO      HN1    N      .      .
 BNO      CB     CA     CG     .
 BNO      HB1    CB     .      .
 BNO      HB2    CB     .      .
 BNO      CG     CB     CD     .
 BNO      HG1    CG     .      .
 BNO      HG2    CG     .      .
 BNO      CD     CG     CE     .
 BNO      HD1    CD     .      .
 BNO      HD2    CD     .      .
 BNO      CE     CD     HE1    .
 BNO      HE3    CE     .      .
 BNO      HE2    CE     .      .
 BNO      HE1    CE     .      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
 BNO      N      CA        single      1.450    0.020
 BNO      HN1    N         single      1.010    0.020
 BNO      HN2    N         single      1.010    0.020
 BNO      CB     CA        single      1.524    0.020
 BNO      CA     B         single      1.600    0.020
 BNO      HA     CA        single      1.099    0.020
 BNO      CG     CB        single      1.524    0.020
 BNO      HB1    CB        single      1.092    0.020
 BNO      HB2    CB        single      1.092    0.020
 BNO      CD     CG        single      1.524    0.020
 BNO      HG1    CG        single      1.092    0.020
 BNO      HG2    CG        single      1.092    0.020
 BNO      CE     CD        single      1.513    0.020
 BNO      HD1    CD        single      1.092    0.020
 BNO      HD2    CD        single      1.092    0.020
 BNO      HE1    CE        single      1.059    0.020
 BNO      HE2    CE        single      1.059    0.020
 BNO      HE3    CE        single      1.059    0.020
 BNO      O1     B         single      1.535    0.020
 BNO      B      O2        single      1.535    0.020
 BNO      HO1    O1        single      0.967    0.020
 BNO      HO2    O2        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
 BNO      HO2    O2     B       120.000    3.000
 BNO      O2     B      O1      120.000    3.000
 BNO      O2     B      CA      120.000    3.000
 BNO      O1     B      CA      120.000    3.000
 BNO      B      O1     HO1     120.000    3.000
 BNO      B      CA     HA      109.470    3.000
 BNO      B      CA     N       109.500    3.000
 BNO      B      CA     CB      109.470    3.000
 BNO      HA     CA     N       109.470    3.000
 BNO      HA     CA     CB      108.340    3.000
 BNO      N      CA     CB      109.470    3.000
 BNO      CA     N      HN2     120.000    3.000
 BNO      CA     N      HN1     120.000    3.000
 BNO      HN2    N      HN1     120.000    3.000
 BNO      CA     CB     HB1     109.470    3.000
 BNO      CA     CB     HB2     109.470    3.000
 BNO      CA     CB     CG      111.000    3.000
 BNO      HB1    CB     HB2     107.900    3.000
 BNO      HB1    CB     CG      109.470    3.000
 BNO      HB2    CB     CG      109.470    3.000
 BNO      CB     CG     HG1     109.470    3.000
 BNO      CB     CG     HG2     109.470    3.000
 BNO      CB     CG     CD      111.000    3.000
 BNO      HG1    CG     HG2     107.900    3.000
 BNO      HG1    CG     CD      109.470    3.000
 BNO      HG2    CG     CD      109.470    3.000
 BNO      CG     CD     HD1     109.470    3.000
 BNO      CG     CD     HD2     109.470    3.000
 BNO      CG     CD     CE      111.000    3.000
 BNO      HD1    CD     HD2     107.900    3.000
 BNO      HD1    CD     CE      109.470    3.000
 BNO      HD2    CD     CE      109.470    3.000
 BNO      CD     CE     HE3     109.470    3.000
 BNO      CD     CE     HE2     109.470    3.000
 BNO      CD     CE     HE1     109.470    3.000
 BNO      HE3    CE     HE2     109.470    3.000
 BNO      HE3    CE     HE1     109.470    3.000
 BNO      HE2    CE     HE1     109.470    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
 BNO      var_1    HO2    O2     B      CA      -179.987   20.000   1
 BNO      var_2    O2     B      O1     HO1       -0.039   20.000   1
 BNO      var_3    O2     B      CA     CB        90.029   20.000   1
 BNO      var_4    B      CA     N      HN1      -63.981   20.000   1
 BNO      var_5    B      CA     CB     CG        60.006   20.000   3
 BNO      var_6    CA     CB     CG     CD       180.000   20.000   3
 BNO      var_7    CB     CG     CD     CE      -179.989   20.000   3
 BNO      var_8    CG     CD     CE     HE1      -60.022   20.000   3
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
 BNO      chir_01  CA     N      CB     B         negativ
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
 BNO      plan-1    N         0.020
 BNO      plan-1    CA        0.000
 BNO      plan-1    HN1       0.000
 BNO      plan-1    HN2       0.000
# ------------------------------------------------------
