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
DSN      DSN 'D-SERINE                            ' peptide            13   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DSN
#
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
 DSN           N      N    NH2       0.000      0.000    0.000    0.000
 DSN           HN1    H    H         0.000     -0.904   -0.139    0.425
 DSN           HN2    H    H         0.000      0.413    0.920   -0.028
 DSN           CA     C    CH1       0.000      0.706   -1.122   -0.570
 DSN           HA     H    H         0.000      1.692   -1.207   -0.092
 DSN           CB     C    CH2       0.000      0.892   -0.962   -2.072
 DSN           HB2    H    H         0.000      1.458   -0.051   -2.276
 DSN           HB3    H    H         0.000     -0.084   -0.900   -2.558
 DSN           OG     O    OH1       0.000      1.604   -2.086   -2.576
 DSN           HG     H    H         0.000      1.233   -2.343   -3.431
 DSN           C      C    C         0.000     -0.102   -2.366   -0.265
 DSN           O      O    OC       -0.500     -1.352   -2.424   -0.235
 DSN           OXT    O    OC       -0.500      0.630   -3.343    0.007
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
 DSN      N      n/a    CA     START
 DSN      HN1    N      .      .
 DSN      HN2    N      .      .
 DSN      CA     N      C      .
 DSN      HA     CA     .      .
 DSN      CB     CA     OG     .
 DSN      HB2    CB     .      .
 DSN      HB3    CB     .      .
 DSN      OG     CB     HG     .
 DSN      HG     OG     .      .
 DSN      C      CA     .      END
 DSN      O      C      .      .
 DSN      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
 DSN      CA     N         single      1.450    0.020
 DSN      C      CA        single      1.500    0.020
 DSN      CB     CA        single      1.524    0.020
 DSN      HA     CA        single      1.099    0.020
 DSN      O      C         deloc       1.250    0.020
 DSN      OXT    C         deloc       1.250    0.020
 DSN      OG     CB        single      1.432    0.020
 DSN      HB2    CB        single      1.092    0.020
 DSN      HB3    CB        single      1.092    0.020
 DSN      HG     OG        single      0.967    0.020
 DSN      HN1    N         single      1.010    0.020
 DSN      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
 DSN      HN1    N      HN2     120.000    3.000
 DSN      HN1    N      CA      120.000    3.000
 DSN      HN2    N      CA      120.000    3.000
 DSN      N      CA     HA      109.470    3.000
 DSN      N      CA     CB      109.470    3.000
 DSN      N      CA     C       109.470    3.000
 DSN      HA     CA     CB      108.340    3.000
 DSN      HA     CA     C       108.810    3.000
 DSN      CB     CA     C       109.470    3.000
 DSN      CA     CB     HB2     109.470    3.000
 DSN      CA     CB     HB3     109.470    3.000
 DSN      CA     CB     OG      109.470    3.000
 DSN      HB2    CB     HB3     107.900    3.000
 DSN      HB2    CB     OG      109.470    3.000
 DSN      HB3    CB     OG      109.470    3.000
 DSN      CB     OG     HG      109.470    3.000
 DSN      CA     C      O       118.500    3.000
 DSN      CA     C      OXT     118.500    3.000
 DSN      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
 DSN      var_1    HN2    N      CA     C        175.000   20.000   1
 DSN      var_2    N      CA     CB     OG       179.403   20.000   3
 DSN      var_3    CA     CB     OG     HG       140.629   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
 DSN      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
 DSN      plan-1    N         0.020
 DSN      plan-1    CA        0.020
 DSN      plan-1    HN1       0.020
 DSN      plan-1    HN2       0.020
 DSN      plan-2    C         0.020
 DSN      plan-2    CA        0.020
 DSN      plan-2    O         0.020
 DSN      plan-2    OXT       0.020
# ------------------------------------------------------
