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
DSG      DSG 'D-ASPARAGINE                        ' peptide            16   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DSG
#
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
 DSG           N      N    NH2       0.000      0.000    0.000    0.000
 DSG           HN1    H    H         0.000     -0.794    0.426    0.453
 DSG           HN2    H    H         0.000      0.243   -0.959    0.194
 DSG           CA     C    CH1       0.000      0.791    0.766   -0.929
 DSG           HA     H    H         0.000      0.770    0.245   -1.897
 DSG           CB     C    CH2       0.000      2.251    0.887   -0.496
 DSG           HB2    H    H         0.000      2.637   -0.124   -0.355
 DSG           HB3    H    H         0.000      2.268    1.418    0.458
 DSG           CG     C    C         0.000      3.113    1.625   -1.503
 DSG           OD1    O    O         0.000      3.705    2.666   -1.224
 DSG           ND2    N    NH2       0.000      3.178    1.010   -2.732
 DSG           HD22   H    H         0.000      2.678    0.141   -2.907
 DSG           HD21   H    H         0.000      3.728    1.413   -3.489
 DSG           C      C    C         0.000      0.126    2.117   -1.117
 DSG           O      O    OC       -0.500     -0.457    2.764   -0.219
 DSG           OXT    O    OC       -0.500      0.194    2.510   -2.303
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
 DSG      N      n/a    CA     START
 DSG      HN1    N      .      .
 DSG      HN2    N      .      .
 DSG      CA     N      C      .
 DSG      HA     CA     .      .
 DSG      CB     CA     CG     .
 DSG      HB2    CB     .      .
 DSG      HB3    CB     .      .
 DSG      CG     CB     ND2    .
 DSG      OD1    CG     .      .
 DSG      ND2    CG     HD21   .
 DSG      HD22   ND2    .      .
 DSG      HD21   ND2    .      .
 DSG      C      CA     .      END
 DSG      O      C      .      .
 DSG      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
 DSG      CA     N         single      1.450    0.020
 DSG      C      CA        single      1.500    0.020
 DSG      CB     CA        single      1.524    0.020
 DSG      HA     CA        single      1.099    0.020
 DSG      O      C         deloc       1.250    0.020
 DSG      OXT    C         deloc       1.250    0.020
 DSG      CG     CB        single      1.510    0.020
 DSG      HB2    CB        single      1.092    0.020
 DSG      HB3    CB        single      1.092    0.020
 DSG      OD1    CG        double      1.220    0.020
 DSG      ND2    CG        single      1.332    0.020
 DSG      HN1    N         single      1.010    0.020
 DSG      HN2    N         single      1.010    0.020
 DSG      HD21   ND2       single      1.010    0.020
 DSG      HD22   ND2       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
 DSG      HN1    N      HN2     120.000    3.000
 DSG      HN1    N      CA      120.000    3.000
 DSG      HN2    N      CA      120.000    3.000
 DSG      N      CA     HA      109.470    3.000
 DSG      N      CA     CB      109.470    3.000
 DSG      N      CA     C       109.470    3.000
 DSG      HA     CA     CB      108.340    3.000
 DSG      HA     CA     C       108.810    3.000
 DSG      CB     CA     C       109.470    3.000
 DSG      CA     CB     HB2     109.470    3.000
 DSG      CA     CB     HB3     109.470    3.000
 DSG      CA     CB     CG      109.470    3.000
 DSG      HB2    CB     HB3     107.900    3.000
 DSG      HB2    CB     CG      109.470    3.000
 DSG      HB3    CB     CG      109.470    3.000
 DSG      CB     CG     OD1     120.500    3.000
 DSG      CB     CG     ND2     116.500    3.000
 DSG      OD1    CG     ND2     123.000    3.000
 DSG      CG     ND2    HD22    120.000    3.000
 DSG      CG     ND2    HD21    120.000    3.000
 DSG      HD22   ND2    HD21    120.000    3.000
 DSG      CA     C      O       118.500    3.000
 DSG      CA     C      OXT     118.500    3.000
 DSG      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
 DSG      var_1    HN2    N      CA     C        175.000   20.000   1
 DSG      var_2    N      CA     CB     CG       176.796   20.000   3
 DSG      var_3    CA     CB     CG     ND2      -61.458   20.000   3
 DSG      CONST_1  CB     CG     ND2    HD21     180.000    0.000   0
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
 DSG      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
 DSG      plan-1    N         0.020
 DSG      plan-1    CA        0.020
 DSG      plan-1    HN1       0.020
 DSG      plan-1    HN2       0.020
 DSG      plan-2    C         0.020
 DSG      plan-2    CA        0.020
 DSG      plan-2    O         0.020
 DSG      plan-2    OXT       0.020
 DSG      plan-3    CG        0.020
 DSG      plan-3    CB        0.020
 DSG      plan-3    OD1       0.020
 DSG      plan-3    ND2       0.020
 DSG      plan-3    HD22      0.020
 DSG      plan-3    HD21      0.020
 DSG      plan-4    ND2       0.020
 DSG      plan-4    CG        0.020
 DSG      plan-4    HD21      0.020
 DSG      plan-4    HD22      0.020
# ------------------------------------------------------
