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
DAB      DAB '2,4-DIAMINOBUTYRIC ACID             ' peptide            17   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DAB
#
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
 DAB           N      N    NH2       0.000      0.000    0.000    0.000
 DAB           HN1    H    H         0.000      0.455   -0.628    0.652
 DAB           HN2    H    H         0.000      0.372    0.098   -0.937
 DAB           CA     C    CH1       0.000     -1.187    0.761    0.410
 DAB           HA     H    H         0.000     -0.953    1.835    0.407
 DAB           CB     C    CH2       0.000     -2.331    0.488   -0.566
 DAB           HB2    H    H         0.000     -3.213    1.054   -0.259
 DAB           HB3    H    H         0.000     -2.564   -0.579   -0.562
 DAB           CG     C    CH2       0.000     -1.913    0.914   -1.974
 DAB           HG2    H    H         0.000     -1.030    0.349   -2.277
 DAB           HG3    H    H         0.000     -1.679    1.981   -1.976
 DAB           ND     N    NH2       0.000     -3.011    0.651   -2.913
 DAB           HND2   H    H         0.000     -3.850    0.176   -2.600
 DAB           HND1   H    H         0.000     -2.938    0.942   -3.881
 DAB           C      C    C         0.000     -1.598    0.341    1.797
 DAB           O      O    OC       -0.500     -1.375   -0.825    2.190
 DAB           OXT    O    OC       -0.500     -2.164    1.159    2.557
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
 DAB      N      n/a    CA     START
 DAB      HN1    N      .      .
 DAB      HN2    N      .      .
 DAB      CA     N      C      .
 DAB      HA     CA     .      .
 DAB      CB     CA     CG     .
 DAB      HB2    CB     .      .
 DAB      HB3    CB     .      .
 DAB      CG     CB     ND     .
 DAB      HG2    CG     .      .
 DAB      HG3    CG     .      .
 DAB      ND     CG     HND1   .
 DAB      HND2   ND     .      .
 DAB      HND1   ND     .      .
 DAB      C      CA     .      END
 DAB      O      C      .      .
 DAB      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
 DAB      CA     N         single      1.450    0.020
 DAB      C      CA        single      1.500    0.020
 DAB      CB     CA        single      1.524    0.020
 DAB      HA     CA        single      1.099    0.020
 DAB      O      C         deloc       1.250    0.020
 DAB      OXT    C         deloc       1.250    0.020
 DAB      CG     CB        single      1.524    0.020
 DAB      HB2    CB        single      1.092    0.020
 DAB      HB3    CB        single      1.092    0.020
 DAB      ND     CG        single      1.450    0.020
 DAB      HG2    CG        single      1.092    0.020
 DAB      HG3    CG        single      1.092    0.020
 DAB      HN1    N         single      1.010    0.020
 DAB      HN2    N         single      1.010    0.020
 DAB      HND1   ND        single      1.010    0.020
 DAB      HND2   ND        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
 DAB      HN1    N      HN2     120.000    3.000
 DAB      HN1    N      CA      120.000    3.000
 DAB      HN2    N      CA      120.000    3.000
 DAB      N      CA     HA      109.470    3.000
 DAB      N      CA     CB      109.470    3.000
 DAB      N      CA     C       109.470    3.000
 DAB      HA     CA     CB      108.340    3.000
 DAB      HA     CA     C       108.810    3.000
 DAB      CB     CA     C       109.470    3.000
 DAB      CA     CB     HB2     109.470    3.000
 DAB      CA     CB     HB3     109.470    3.000
 DAB      CA     CB     CG      111.000    3.000
 DAB      HB2    CB     HB3     107.900    3.000
 DAB      HB2    CB     CG      109.470    3.000
 DAB      HB3    CB     CG      109.470    3.000
 DAB      CB     CG     HG2     109.470    3.000
 DAB      CB     CG     HG3     109.470    3.000
 DAB      CB     CG     ND      109.470    3.000
 DAB      HG2    CG     HG3     107.900    3.000
 DAB      HG2    CG     ND      109.470    3.000
 DAB      HG3    CG     ND      109.470    3.000
 DAB      CG     ND     HND2    120.000    3.000
 DAB      CG     ND     HND1    120.000    3.000
 DAB      HND2   ND     HND1    120.000    3.000
 DAB      CA     C      O       118.500    3.000
 DAB      CA     C      OXT     118.500    3.000
 DAB      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
 DAB      var_1    HN2    N      CA     C        175.000   20.000   1
 DAB      var_2    N      CA     CB     CG       -59.979   20.000   3
 DAB      var_3    CA     CB     CG     ND       179.961   20.000   3
 DAB      var_4    CB     CG     ND     HND1     175.000   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
 DAB      chir_01  CA     N      C      CB        positiv
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
 DAB      plan-1    N         0.020
 DAB      plan-1    CA        0.020
 DAB      plan-1    HN1       0.020
 DAB      plan-1    HN2       0.020
 DAB      plan-2    C         0.020
 DAB      plan-2    CA        0.020
 DAB      plan-2    O         0.020
 DAB      plan-2    OXT       0.020
 DAB      plan-3    ND        0.020
 DAB      plan-3    CG        0.020
 DAB      plan-3    HND1      0.020
 DAB      plan-3    HND2      0.020
# ------------------------------------------------------
