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
DSE      DSE 'N-METHYL-D-SERINE                   ' M-peptide          16   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DSE
#
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
 DSE           OXT    O    OC       -0.500      0.000    0.000    0.000
 DSE           C      C    C         0.000     -1.249    0.008    0.068
 DSE           O      O    OC       -0.500     -1.833   -0.679    0.936
 DSE           CA     C    CH1       0.000     -2.052    0.845   -0.893
 DSE           HA     H    H         0.000     -3.026    0.368   -1.068
 DSE           CB     C    CH2       0.000     -2.266    2.238   -0.301
 DSE           HB2    H    H         0.000     -2.847    2.844   -1.000
 DSE           HB3    H    H         0.000     -1.298    2.712   -0.128
 DSE           OG     O    OH1       0.000     -2.972    2.128    0.937
 DSE           HG     H    H         0.000     -3.107    3.009    1.310
 DSE           N      N    NH1       0.000     -1.327    0.960   -2.165
 DSE           H      H    H         0.000     -0.658    1.675   -2.416
 DSE           CN     C    CH3       0.000     -1.761   -0.166   -3.002
 DSE           HN3    H    H         0.000     -1.530   -1.081   -2.519
 DSE           HN2    H    H         0.000     -2.808   -0.109   -3.162
 DSE           HN1    H    H         0.000     -1.263   -0.129   -3.938
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
 DSE      OXT    n/a    C      START
 DSE      C      OXT    CA     .
 DSE      O      C      .      .
 DSE      CA     C      N      .
 DSE      HA     CA     .      .
 DSE      CB     CA     OG     .
 DSE      HB2    CB     .      .
 DSE      HB3    CB     .      .
 DSE      OG     CB     HG     .
 DSE      HG     OG     .      .
 DSE      N      CA     CN     .
 DSE      H      N      .      .
 DSE      CN     N      HN1    .
 DSE      HN3    CN     .      .
 DSE      HN2    CN     .      .
 DSE      HN1    CN     .      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
 DSE      N      CA        single      1.450    0.020
 DSE      CN     N         single      1.450    0.020
 DSE      H      N         single      1.010    0.020
 DSE      CA     C         single      1.500    0.020
 DSE      CB     CA        single      1.524    0.020
 DSE      HA     CA        single      1.099    0.020
 DSE      O      C         deloc       1.250    0.020
 DSE      C      OXT       deloc       1.250    0.020
 DSE      OG     CB        single      1.432    0.020
 DSE      HB2    CB        single      1.092    0.020
 DSE      HB3    CB        single      1.092    0.020
 DSE      HN1    CN        single      1.059    0.020
 DSE      HN2    CN        single      1.059    0.020
 DSE      HN3    CN        single      1.059    0.020
 DSE      HG     OG        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
 DSE      OXT    C      O       123.000    3.000
 DSE      OXT    C      CA      118.500    3.000
 DSE      O      C      CA      118.500    3.000
 DSE      C      CA     HA      108.810    3.000
 DSE      C      CA     CB      109.470    3.000
 DSE      C      CA     N       111.600    3.000
 DSE      HA     CA     CB      108.340    3.000
 DSE      HA     CA     N       108.550    3.000
 DSE      CB     CA     N       110.000    3.000
 DSE      CA     CB     HB2     109.470    3.000
 DSE      CA     CB     HB3     109.470    3.000
 DSE      CA     CB     OG      109.470    3.000
 DSE      HB2    CB     HB3     107.900    3.000
 DSE      HB2    CB     OG      109.470    3.000
 DSE      HB3    CB     OG      109.470    3.000
 DSE      CB     OG     HG      109.470    3.000
 DSE      CA     N      H       118.500    3.000
 DSE      CA     N      CN      120.000    3.000
 DSE      H      N      CN      118.500    3.000
 DSE      N      CN     HN3     109.470    3.000
 DSE      N      CN     HN2     109.470    3.000
 DSE      N      CN     HN1     109.470    3.000
 DSE      HN3    CN     HN2     109.470    3.000
 DSE      HN3    CN     HN1     109.470    3.000
 DSE      HN2    CN     HN1     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
 DSE      var_1    OXT    C      CA     N         30.042   20.000   3
 DSE      var_2    C      CA     CB     OG       -60.009   20.000   3
 DSE      var_3    CA     CB     OG     HG      -179.979   20.000   1
 DSE      var_4    C      CA     N      CN        89.990   20.000   3
 DSE      var_5    CA     N      CN     HN1     -179.946   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
 DSE      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
 DSE      plan-1    N         0.020
 DSE      plan-1    CA        0.020
 DSE      plan-1    CN        0.020
 DSE      plan-1    H         0.020
 DSE      plan-2    C         0.020
 DSE      plan-2    CA        0.020
 DSE      plan-2    O         0.020
 DSE      plan-2    OXT       0.020
# ------------------------------------------------------
