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
DNG      DNG 'N-FORMYL-D-NORLEUCINE               ' non-polymer        23  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DNG
#
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
 DNG           OXT    O    OC       -0.500      0.000    0.000    0.000
 DNG           C      C    C         0.000     -0.531   -0.327   -1.085
 DNG           O      O    OC       -0.500     -0.190   -1.347   -1.725
 DNG           CA     C    CH1       0.000     -1.641    0.622   -1.493
 DNG           HA     H    H         0.000     -2.043    1.118   -0.599
 DNG           N      N    NH1       0.000     -2.665   -0.204   -2.085
 DNG           H      H    H         0.000     -2.650   -0.341   -3.085
 DNG           C1     C    C1        0.000     -3.663   -0.814   -1.357
 DNG           H1     H    H         0.000     -4.366   -1.403   -1.920
 DNG           O1     O    O         0.000     -3.847   -0.767   -0.147
 DNG           CB     C    CH2       0.000     -1.154    1.677   -2.484
 DNG           HB2    H    H         0.000     -0.750    1.157   -3.355
 DNG           HB3    H    H         0.000     -0.358    2.248   -2.001
 DNG           CG     C    CH2       0.000     -2.268    2.629   -2.928
 DNG           HG2    H    H         0.000     -2.652    3.148   -2.048
 DNG           HG3    H    H         0.000     -3.069    2.039   -3.379
 DNG           CD     C    CH2       0.000     -1.754    3.652   -3.941
 DNG           HD2    H    H         0.000     -1.389    3.115   -4.819
 DNG           HD3    H    H         0.000     -0.929    4.204   -3.485
 DNG           CE     C    CH3       0.000     -2.847    4.623   -4.358
 DNG           HE3    H    H         0.000     -3.204    5.141   -3.505
 DNG           HE2    H    H         0.000     -2.456    5.320   -5.054
 DNG           HE1    H    H         0.000     -3.645    4.088   -4.805
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
 DNG      OXT    n/a    C      START
 DNG      C      OXT    CA     .
 DNG      O      C      .      .
 DNG      CA     C      CB     .
 DNG      HA     CA     .      .
 DNG      N      CA     C1     .
 DNG      H      N      .      .
 DNG      C1     N      O1     .
 DNG      H1     C1     .      .
 DNG      O1     C1     .      .
 DNG      CB     CA     CG     .
 DNG      HB2    CB     .      .
 DNG      HB3    CB     .      .
 DNG      CG     CB     CD     .
 DNG      HG2    CG     .      .
 DNG      HG3    CG     .      .
 DNG      CD     CG     CE     .
 DNG      HD2    CD     .      .
 DNG      HD3    CD     .      .
 DNG      CE     CD     HE1    .
 DNG      HE3    CE     .      .
 DNG      HE2    CE     .      .
 DNG      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
 DNG      O1     C1        double      1.220    0.020
 DNG      C1     N         single      1.330    0.020
 DNG      H1     C1        single      1.077    0.020
 DNG      N      CA        single      1.450    0.020
 DNG      H      N         single      1.010    0.020
 DNG      CA     C         single      1.500    0.020
 DNG      CB     CA        single      1.524    0.020
 DNG      HA     CA        single      1.099    0.020
 DNG      O      C         deloc       1.250    0.020
 DNG      C      OXT       deloc       1.250    0.020
 DNG      CG     CB        single      1.524    0.020
 DNG      HB2    CB        single      1.092    0.020
 DNG      HB3    CB        single      1.092    0.020
 DNG      CD     CG        single      1.524    0.020
 DNG      HG2    CG        single      1.092    0.020
 DNG      HG3    CG        single      1.092    0.020
 DNG      CE     CD        single      1.513    0.020
 DNG      HD2    CD        single      1.092    0.020
 DNG      HD3    CD        single      1.092    0.020
 DNG      HE1    CE        single      1.059    0.020
 DNG      HE2    CE        single      1.059    0.020
 DNG      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
 DNG      OXT    C      O       123.000    3.000
 DNG      OXT    C      CA      118.500    3.000
 DNG      O      C      CA      118.500    3.000
 DNG      C      CA     HA      108.810    3.000
 DNG      C      CA     N       111.600    3.000
 DNG      C      CA     CB      109.470    3.000
 DNG      HA     CA     N       108.550    3.000
 DNG      HA     CA     CB      108.340    3.000
 DNG      N      CA     CB      110.000    3.000
 DNG      CA     N      H       118.500    3.000
 DNG      CA     N      C1      120.000    3.000
 DNG      H      N      C1      120.000    3.000
 DNG      N      C1     H1      120.000    3.000
 DNG      N      C1     O1      120.000    3.000
 DNG      H1     C1     O1      123.000    3.000
 DNG      CA     CB     HB2     109.470    3.000
 DNG      CA     CB     HB3     109.470    3.000
 DNG      CA     CB     CG      111.000    3.000
 DNG      HB2    CB     HB3     107.900    3.000
 DNG      HB2    CB     CG      109.470    3.000
 DNG      HB3    CB     CG      109.470    3.000
 DNG      CB     CG     HG2     109.470    3.000
 DNG      CB     CG     HG3     109.470    3.000
 DNG      CB     CG     CD      111.000    3.000
 DNG      HG2    CG     HG3     107.900    3.000
 DNG      HG2    CG     CD      109.470    3.000
 DNG      HG3    CG     CD      109.470    3.000
 DNG      CG     CD     HD2     109.470    3.000
 DNG      CG     CD     HD3     109.470    3.000
 DNG      CG     CD     CE      111.000    3.000
 DNG      HD2    CD     HD3     107.900    3.000
 DNG      HD2    CD     CE      109.470    3.000
 DNG      HD3    CD     CE      109.470    3.000
 DNG      CD     CE     HE3     109.470    3.000
 DNG      CD     CE     HE2     109.470    3.000
 DNG      CD     CE     HE1     109.470    3.000
 DNG      HE3    CE     HE2     109.470    3.000
 DNG      HE3    CE     HE1     109.470    3.000
 DNG      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
 DNG      var_1    OXT    C      CA     CB        97.015   20.000   3
 DNG      var_2    C      CA     N      C1        87.219   20.000   3
 DNG      var_3    CA     N      C1     O1        -0.029   20.000   1
 DNG      var_4    C      CA     CB     CG       178.921   20.000   3
 DNG      var_5    CA     CB     CG     CD      -178.791   20.000   3
 DNG      var_6    CB     CG     CD     CE      -178.476   20.000   3
 DNG      var_7    CG     CD     CE     HE1      -60.300   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
 DNG      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
 DNG      plan-1    C1        0.020
 DNG      plan-1    O1        0.020
 DNG      plan-1    N         0.020
 DNG      plan-1    H1        0.020
 DNG      plan-1    H         0.020
 DNG      plan-2    N         0.020
 DNG      plan-2    C1        0.020
 DNG      plan-2    CA        0.020
 DNG      plan-2    H         0.020
 DNG      plan-2    H1        0.020
 DNG      plan-3    C         0.020
 DNG      plan-3    CA        0.020
 DNG      plan-3    O         0.020
 DNG      plan-3    OXT       0.020
# ------------------------------------------------------
