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
DBB      DBB 'D-ALPHA-AMINOBUTYRIC ACID           ' peptide            15   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DBB
#
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
 DBB           N      N    NH2       0.000      0.000    0.000    0.000
 DBB           HN1    H    H         0.000     -0.090    0.990   -0.197
 DBB           HN2    H    H         0.000      0.923   -0.403    0.107
 DBB           CA     C    CH1       0.000     -1.196   -0.842    0.129
 DBB           HA     H    H         0.000     -1.175   -1.362    1.097
 DBB           CB     C    CH2       0.000     -1.219   -1.872   -1.002
 DBB           HB2    H    H         0.000     -1.153   -1.357   -1.963
 DBB           HB3    H    H         0.000     -2.151   -2.439   -0.959
 DBB           CG     C    CH3       0.000     -0.032   -2.826   -0.849
 DBB           HG3    H    H         0.000     -0.095   -3.327    0.083
 DBB           HG2    H    H         0.000     -0.045   -3.540   -1.633
 DBB           HG1    H    H         0.000      0.875   -2.277   -0.891
 DBB           C      C    C         0.000     -2.429    0.020    0.049
 DBB           O      O    OC       -0.500     -2.365    1.158   -0.465
 DBB           OXT    O    OC       -0.500     -3.518   -0.403    0.498
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
 DBB      N      n/a    CA     START
 DBB      HN1    N      .      .
 DBB      HN2    N      .      .
 DBB      CA     N      C      .
 DBB      HA     CA     .      .
 DBB      CB     CA     CG     .
 DBB      HB2    CB     .      .
 DBB      HB3    CB     .      .
 DBB      CG     CB     HG1    .
 DBB      HG3    CG     .      .
 DBB      HG2    CG     .      .
 DBB      HG1    CG     .      .
 DBB      C      CA     .      END
 DBB      O      C      .      .
 DBB      OXT    C      .      .
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
 DBB      CA     N         single      1.450    0.020
 DBB      C      CA        single      1.500    0.020
 DBB      CB     CA        single      1.524    0.020
 DBB      O      C         deloc       1.250    0.020
 DBB      CG     CB        single      1.513    0.020
 DBB      OXT    C         deloc       1.250    0.020
 DBB      HA     CA        single      1.099    0.020
 DBB      HB2    CB        single      1.092    0.020
 DBB      HB3    CB        single      1.092    0.020
 DBB      HG1    CG        single      1.059    0.020
 DBB      HG2    CG        single      1.059    0.020
 DBB      HG3    CG        single      1.059    0.020
 DBB      HN1    N         single      1.010    0.020
 DBB      HN2    N         single      1.010    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
 DBB      HN1    N      HN2     120.000    3.000
 DBB      HN1    N      CA      120.000    3.000
 DBB      HN2    N      CA      120.000    3.000
 DBB      N      CA     HA      109.470    3.000
 DBB      N      CA     CB      109.470    3.000
 DBB      N      CA     C       109.470    3.000
 DBB      HA     CA     CB      108.340    3.000
 DBB      HA     CA     C       108.810    3.000
 DBB      CB     CA     C       109.470    3.000
 DBB      CA     CB     HB2     109.470    3.000
 DBB      CA     CB     HB3     109.470    3.000
 DBB      CA     CB     CG      111.000    3.000
 DBB      HB2    CB     HB3     107.900    3.000
 DBB      HB2    CB     CG      109.470    3.000
 DBB      HB3    CB     CG      109.470    3.000
 DBB      CB     CG     HG3     109.470    3.000
 DBB      CB     CG     HG2     109.470    3.000
 DBB      CB     CG     HG1     109.470    3.000
 DBB      HG3    CG     HG2     109.470    3.000
 DBB      HG3    CG     HG1     109.470    3.000
 DBB      HG2    CG     HG1     109.470    3.000
 DBB      CA     C      O       118.500    3.000
 DBB      CA     C      OXT     118.500    3.000
 DBB      O      C      OXT     123.000    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
 DBB      var_1    HN2    N      CA     C        175.000   20.000   1
 DBB      var_2    N      CA     CB     CG        64.926   20.000   3
 DBB      var_3    CA     CB     CG     HG1      -59.943   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
 DBB      chir_01  CA     N      C      CB        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
 DBB      plan-1    N         0.020
 DBB      plan-1    CA        0.020
 DBB      plan-1    HN1       0.020
 DBB      plan-1    HN2       0.020
 DBB      plan-2    C         0.020
 DBB      plan-2    CA        0.020
 DBB      plan-2    O         0.020
 DBB      plan-2    OXT       0.020
# ------------------------------------------------------
