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
DNM      DNM 'N-METHYL-D-NORLEUCINE               ' non-polymer        24  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DNM
#
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
 DNM           OXT    O    OC       -0.500      0.000    0.000    0.000
 DNM           C      C    C         0.000     -0.615    0.341   -1.035
 DNM           O      O    OC       -0.500     -0.754   -0.417   -2.021
 DNM           CA     C    CH1       0.000     -1.196    1.737   -0.926
 DNM           HA     H    H         0.000     -0.977    2.147    0.070
 DNM           N      N    NH1       0.000     -0.519    2.523   -1.928
 DNM           H      H    H         0.000     -0.984    2.999   -2.688
 DNM           C1     C    CH3       0.000      0.925    2.545   -1.704
 DNM           HC3    H    H         0.000      1.297    1.552   -1.687
 DNM           HC2    H    H         0.000      1.398    3.083   -2.486
 DNM           HC1    H    H         0.000      1.135    3.014   -0.778
 DNM           CB     C    CH2       0.000     -2.707    1.747   -1.157
 DNM           HB2    H    H         0.000     -2.891    1.396   -2.175
 DNM           HB3    H    H         0.000     -3.052    2.778   -1.061
 DNM           CG     C    CH2       0.000     -3.463    0.859   -0.165
 DNM           HG2    H    H         0.000     -3.277    1.230    0.845
 DNM           HG3    H    H         0.000     -3.083   -0.161   -0.253
 DNM           CD     C    CH2       0.000     -4.967    0.871   -0.446
 DNM           HD2    H    H         0.000     -5.133    0.482   -1.453
 DNM           HD3    H    H         0.000     -5.319    1.903   -0.393
 DNM           CE     C    CH3       0.000     -5.728    0.021    0.559
 DNM           HE3    H    H         0.000     -5.563    0.394    1.537
 DNM           HE2    H    H         0.000     -6.764    0.055    0.340
 DNM           HE1    H    H         0.000     -5.389   -0.982    0.504
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
 DNM      OXT    n/a    C      START
 DNM      C      OXT    CA     .
 DNM      O      C      .      .
 DNM      CA     C      CB     .
 DNM      HA     CA     .      .
 DNM      N      CA     C1     .
 DNM      H      N      .      .
 DNM      C1     N      HC1    .
 DNM      HC3    C1     .      .
 DNM      HC2    C1     .      .
 DNM      HC1    C1     .      .
 DNM      CB     CA     CG     .
 DNM      HB2    CB     .      .
 DNM      HB3    CB     .      .
 DNM      CG     CB     CD     .
 DNM      HG2    CG     .      .
 DNM      HG3    CG     .      .
 DNM      CD     CG     CE     .
 DNM      HD2    CD     .      .
 DNM      HD3    CD     .      .
 DNM      CE     CD     HE1    .
 DNM      HE3    CE     .      .
 DNM      HE2    CE     .      .
 DNM      HE1    CE     .      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
 DNM      C1     N         single      1.450    0.020
 DNM      HC1    C1        single      1.059    0.020
 DNM      HC2    C1        single      1.059    0.020
 DNM      HC3    C1        single      1.059    0.020
 DNM      N      CA        single      1.450    0.020
 DNM      H      N         single      1.010    0.020
 DNM      CA     C         single      1.500    0.020
 DNM      CB     CA        single      1.524    0.020
 DNM      HA     CA        single      1.099    0.020
 DNM      O      C         deloc       1.250    0.020
 DNM      C      OXT       deloc       1.250    0.020
 DNM      CG     CB        single      1.524    0.020
 DNM      HB2    CB        single      1.092    0.020
 DNM      HB3    CB        single      1.092    0.020
 DNM      CD     CG        single      1.524    0.020
 DNM      HG2    CG        single      1.092    0.020
 DNM      HG3    CG        single      1.092    0.020
 DNM      CE     CD        single      1.513    0.020
 DNM      HD2    CD        single      1.092    0.020
 DNM      HD3    CD        single      1.092    0.020
 DNM      HE1    CE        single      1.059    0.020
 DNM      HE2    CE        single      1.059    0.020
 DNM      HE3    CE        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
 DNM      OXT    C      O       123.000    3.000
 DNM      OXT    C      CA      118.500    3.000
 DNM      O      C      CA      118.500    3.000
 DNM      C      CA     HA      108.810    3.000
 DNM      C      CA     N       111.600    3.000
 DNM      C      CA     CB      109.470    3.000
 DNM      HA     CA     N       108.550    3.000
 DNM      HA     CA     CB      108.340    3.000
 DNM      N      CA     CB      110.000    3.000
 DNM      CA     N      H       118.500    3.000
 DNM      CA     N      C1      120.000    3.000
 DNM      H      N      C1      118.500    3.000
 DNM      N      C1     HC3     109.470    3.000
 DNM      N      C1     HC2     109.470    3.000
 DNM      N      C1     HC1     109.470    3.000
 DNM      HC3    C1     HC2     109.470    3.000
 DNM      HC3    C1     HC1     109.470    3.000
 DNM      HC2    C1     HC1     109.470    3.000
 DNM      CA     CB     HB2     109.470    3.000
 DNM      CA     CB     HB3     109.470    3.000
 DNM      CA     CB     CG      111.000    3.000
 DNM      HB2    CB     HB3     107.900    3.000
 DNM      HB2    CB     CG      109.470    3.000
 DNM      HB3    CB     CG      109.470    3.000
 DNM      CB     CG     HG2     109.470    3.000
 DNM      CB     CG     HG3     109.470    3.000
 DNM      CB     CG     CD      111.000    3.000
 DNM      HG2    CG     HG3     107.900    3.000
 DNM      HG2    CG     CD      109.470    3.000
 DNM      HG3    CG     CD      109.470    3.000
 DNM      CG     CD     HD2     109.470    3.000
 DNM      CG     CD     HD3     109.470    3.000
 DNM      CG     CD     CE      111.000    3.000
 DNM      HD2    CD     HD3     107.900    3.000
 DNM      HD2    CD     CE      109.470    3.000
 DNM      HD3    CD     CE      109.470    3.000
 DNM      CD     CE     HE3     109.470    3.000
 DNM      CD     CE     HE2     109.470    3.000
 DNM      CD     CE     HE1     109.470    3.000
 DNM      HE3    CE     HE2     109.470    3.000
 DNM      HE3    CE     HE1     109.470    3.000
 DNM      HE2    CE     HE1     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
 DNM      var_1    OXT    C      CA     CB      -123.311   20.000   3
 DNM      var_2    C      CA     N      C1       -59.548   20.000   3
 DNM      var_3    CA     N      C1     HC1      -63.204   20.000   1
 DNM      var_4    C      CA     CB     CG        58.846   20.000   3
 DNM      var_5    CA     CB     CG     CD      -178.789   20.000   3
 DNM      var_6    CB     CG     CD     CE      -178.451   20.000   3
 DNM      var_7    CG     CD     CE     HE1      -60.306   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
 DNM      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
 DNM      plan-1    N         0.020
 DNM      plan-1    C1        0.020
 DNM      plan-1    CA        0.020
 DNM      plan-1    H         0.020
 DNM      plan-2    C         0.020
 DNM      plan-2    CA        0.020
 DNM      plan-2    O         0.020
 DNM      plan-2    OXT       0.020
# ------------------------------------------------------
