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
ASA      ASA 'ASPARTIC ALDEHYDE                   ' non-polymer        14   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ASA
#
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
 ASA           OD2    O    OC       -0.500      0.000    0.000    0.000
 ASA           CG     C    C         0.000     -1.235    0.131   -0.154
 ASA           OD1    O    OC       -0.500     -1.697    1.197   -0.617
 ASA           CB     C    CH2       0.000     -2.164   -0.996    0.216
 ASA           HB2    H    H         0.000     -2.053   -1.225    1.278
 ASA           HB3    H    H         0.000     -1.916   -1.881   -0.373
 ASA           CA     C    CH1       0.000     -3.608   -0.580   -0.069
 ASA           HA     H    H         0.000     -3.698   -0.265   -1.117
 ASA           N      N    NH2       0.000     -3.979    0.536    0.812
 ASA           H2     H    H         0.000     -4.263    1.425    0.419
 ASA           H      H    H         0.000     -3.954    0.423    1.819
 ASA           C      C    C1        0.000     -4.526   -1.748    0.186
 ASA           HXT    H    H         0.000     -4.402   -2.662   -0.372
 ASA           O      O    O         0.000     -5.400   -1.660    1.014
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
 ASA      OD2    n/a    CG     START
 ASA      CG     OD2    CB     .
 ASA      OD1    CG     .      .
 ASA      CB     CG     CA     .
 ASA      HB2    CB     .      .
 ASA      HB3    CB     .      .
 ASA      CA     CB     C      .
 ASA      HA     CA     .      .
 ASA      N      CA     H      .
 ASA      H2     N      .      .
 ASA      H      N      .      .
 ASA      C      CA     O      .
 ASA      HXT    C      .      .
 ASA      O      C      .      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
 ASA      N      CA        single      1.450    0.020
 ASA      H      N         single      1.010    0.020
 ASA      H2     N         single      1.010    0.020
 ASA      C      CA        single      1.510    0.020
 ASA      CA     CB        single      1.524    0.020
 ASA      HA     CA        single      1.099    0.020
 ASA      O      C         double      1.220    0.020
 ASA      HXT    C         single      1.077    0.020
 ASA      CB     CG        single      1.510    0.020
 ASA      HB2    CB        single      1.092    0.020
 ASA      HB3    CB        single      1.092    0.020
 ASA      OD1    CG        deloc       1.250    0.020
 ASA      CG     OD2       deloc       1.250    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
 ASA      OD2    CG     OD1     123.000    3.000
 ASA      OD2    CG     CB      118.500    3.000
 ASA      OD1    CG     CB      118.500    3.000
 ASA      CG     CB     HB2     109.470    3.000
 ASA      CG     CB     HB3     109.470    3.000
 ASA      CG     CB     CA      109.470    3.000
 ASA      HB2    CB     HB3     107.900    3.000
 ASA      HB2    CB     CA      109.470    3.000
 ASA      HB3    CB     CA      109.470    3.000
 ASA      CB     CA     HA      108.340    3.000
 ASA      CB     CA     N       109.470    3.000
 ASA      CB     CA     C       109.470    3.000
 ASA      HA     CA     N       109.470    3.000
 ASA      HA     CA     C       108.810    3.000
 ASA      N      CA     C       109.470    3.000
 ASA      CA     N      H2      120.000    3.000
 ASA      CA     N      H       120.000    3.000
 ASA      H2     N      H       120.000    3.000
 ASA      CA     C      HXT     120.000    3.000
 ASA      CA     C      O       120.500    3.000
 ASA      HXT    C      O       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
 ASA      var_1    OD2    CG     CB     CA      -179.992   20.000   3
 ASA      var_2    CG     CB     CA     C        175.001   20.000   3
 ASA      var_3    CB     CA     N      H        -59.979   20.000   1
 ASA      var_4    CB     CA     C      O        120.040   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
 ASA      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
 ASA      plan-1    N         0.020
 ASA      plan-1    CA        0.020
 ASA      plan-1    H         0.020
 ASA      plan-1    H2        0.020
 ASA      plan-2    C         0.020
 ASA      plan-2    CA        0.020
 ASA      plan-2    O         0.020
 ASA      plan-2    HXT       0.020
 ASA      plan-3    CG        0.020
 ASA      plan-3    CB        0.020
 ASA      plan-3    OD1       0.020
 ASA      plan-3    OD2       0.020
# ------------------------------------------------------
