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
ASK      ASK 'DEHYDROXYMETHYLASPARTIC ACID        ' non-polymer        17   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ASK
#
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
 ASK           O      O    O         0.000      0.000    0.000    0.000
 ASK           C      C    C         0.000     -0.904   -0.551    0.582
 ASK           CM     C    CH3       0.000     -0.668   -1.879    1.255
 ASK           HM3    H    H         0.000     -0.356   -2.592    0.535
 ASK           HM2    H    H         0.000      0.085   -1.774    1.993
 ASK           HM1    H    H         0.000     -1.565   -2.210    1.711
 ASK           CA     C    CH1       0.000     -2.267    0.088    0.635
 ASK           HA     H    H         0.000     -2.662    0.024    1.658
 ASK           N      N    NH2       0.000     -2.162    1.498    0.237
 ASK           H2     H    H         0.000     -2.438    2.232    0.879
 ASK           H      H    H         0.000     -1.814    1.746   -0.682
 ASK           CB     C    CH2       0.000     -3.211   -0.642   -0.323
 ASK           HB2    H    H         0.000     -3.218   -1.708   -0.084
 ASK           HB3    H    H         0.000     -2.865   -0.504   -1.350
 ASK           CG     C    C         0.000     -4.603   -0.084   -0.180
 ASK           OD1    O    OC       -0.500     -4.825    0.840    0.634
 ASK           OD2    O    OC       -0.500     -5.535   -0.543   -0.876
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
 ASK      O      n/a    C      START
 ASK      C      O      CA     .
 ASK      CM     C      HM1    .
 ASK      HM3    CM     .      .
 ASK      HM2    CM     .      .
 ASK      HM1    CM     .      .
 ASK      CA     C      CB     .
 ASK      HA     CA     .      .
 ASK      N      CA     H      .
 ASK      H2     N      .      .
 ASK      H      N      .      .
 ASK      CB     CA     CG     .
 ASK      HB2    CB     .      .
 ASK      HB3    CB     .      .
 ASK      CG     CB     OD2    .
 ASK      OD1    CG     .      .
 ASK      OD2    CG     .      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
 ASK      N      CA        single      1.450    0.020
 ASK      H      N         single      1.010    0.020
 ASK      H2     N         single      1.010    0.020
 ASK      CB     CA        single      1.524    0.020
 ASK      CA     C         single      1.500    0.020
 ASK      HA     CA        single      1.099    0.020
 ASK      CG     CB        single      1.510    0.020
 ASK      HB2    CB        single      1.092    0.020
 ASK      HB3    CB        single      1.092    0.020
 ASK      OD1    CG        deloc       1.250    0.020
 ASK      OD2    CG        deloc       1.250    0.020
 ASK      C      O         double      1.220    0.020
 ASK      CM     C         single      1.500    0.020
 ASK      HM1    CM        single      1.059    0.020
 ASK      HM2    CM        single      1.059    0.020
 ASK      HM3    CM        single      1.059    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
 ASK      O      C      CM      123.000    3.000
 ASK      O      C      CA      120.500    3.000
 ASK      CM     C      CA      120.000    3.000
 ASK      C      CM     HM3     109.470    3.000
 ASK      C      CM     HM2     109.470    3.000
 ASK      C      CM     HM1     109.470    3.000
 ASK      HM3    CM     HM2     109.470    3.000
 ASK      HM3    CM     HM1     109.470    3.000
 ASK      HM2    CM     HM1     109.470    3.000
 ASK      C      CA     HA      108.810    3.000
 ASK      C      CA     N       109.470    3.000
 ASK      C      CA     CB      109.470    3.000
 ASK      HA     CA     N       109.470    3.000
 ASK      HA     CA     CB      108.340    3.000
 ASK      N      CA     CB      109.470    3.000
 ASK      CA     N      H2      120.000    3.000
 ASK      CA     N      H       120.000    3.000
 ASK      H2     N      H       120.000    3.000
 ASK      CA     CB     HB2     109.470    3.000
 ASK      CA     CB     HB3     109.470    3.000
 ASK      CA     CB     CG      109.470    3.000
 ASK      HB2    CB     HB3     107.900    3.000
 ASK      HB2    CB     CG      109.470    3.000
 ASK      HB3    CB     CG      109.470    3.000
 ASK      CB     CG     OD1     118.500    3.000
 ASK      CB     CG     OD2     118.500    3.000
 ASK      OD1    CG     OD2     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
 ASK      var_1    O      C      CM     HM1      179.953   20.000   1
 ASK      var_2    O      C      CA     CB       105.006   20.000   3
 ASK      var_3    C      CA     N      H         59.959   20.000   1
 ASK      var_4    C      CA     CB     CG       174.975   20.000   3
 ASK      var_5    CA     CB     CG     OD2     -179.988   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
 ASK      chir_01  CA     N      CB     C         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
 ASK      plan-1    N         0.020
 ASK      plan-1    CA        0.020
 ASK      plan-1    H         0.020
 ASK      plan-1    H2        0.020
 ASK      plan-2    CG        0.020
 ASK      plan-2    CB        0.020
 ASK      plan-2    OD1       0.020
 ASK      plan-2    OD2       0.020
 ASK      plan-3    C         0.020
 ASK      plan-3    CA        0.020
 ASK      plan-3    O         0.020
 ASK      plan-3    CM        0.020
# ------------------------------------------------------
