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
CGN      CGN '5-OXO-PYRROLIDINE-2-CARBALDEHYDE    ' non-polymer        15   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CGN
#
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
 CGN           O      O    O         0.000      0.000    0.000    0.000
 CGN           C      C    C1        0.000     -0.290    0.393    1.103
 CGN           H      H    H         0.000      0.476    0.516    1.850
 CGN           CA     C    CH1       0.000     -1.726    0.714    1.434
 CGN           HA     H    H         0.000     -1.824    1.771    1.716
 CGN           CB     C    CH2       0.000     -2.225   -0.193    2.581
 CGN           HB2    H    H         0.000     -2.187    0.291    3.559
 CGN           HB1    H    H         0.000     -1.701   -1.150    2.631
 CGN           N      N    NH1       0.000     -2.590    0.412    0.289
 CGN           HN     H    H         0.000     -2.375    0.654   -0.668
 CGN           CD     C    C         0.000     -3.708   -0.228    0.679
 CGN           OE1    O    O         0.000     -4.597   -0.587   -0.064
 CGN           CG     C    CH2       0.000     -3.697   -0.429    2.178
 CGN           HG2    H    H         0.000     -3.994   -1.442    2.456
 CGN           HG1    H    H         0.000     -4.337    0.291    2.692
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
 CGN      O      n/a    C      START
 CGN      C      O      CA     .
 CGN      H      C      .      .
 CGN      CA     C      N      .
 CGN      HA     CA     .      .
 CGN      CB     CA     HB1    .
 CGN      HB2    CB     .      .
 CGN      HB1    CB     .      .
 CGN      N      CA     CD     .
 CGN      HN     N      .      .
 CGN      CD     N      CG     .
 CGN      OE1    CD     .      .
 CGN      CG     CD     HG1    .
 CGN      HG2    CG     .      .
 CGN      HG1    CG     .      END
 CGN      CB     CG     .    ADD
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
 CGN      CB     CG        single      1.524    0.020
 CGN      CB     CA        single      1.524    0.020
 CGN      HB1    CB        single      1.092    0.020
 CGN      HB2    CB        single      1.092    0.020
 CGN      CG     CD        single      1.510    0.020
 CGN      HG1    CG        single      1.092    0.020
 CGN      HG2    CG        single      1.092    0.020
 CGN      CD     N         single      1.330    0.020
 CGN      OE1    CD        double      1.220    0.020
 CGN      N      CA        single      1.450    0.020
 CGN      HN     N         single      1.010    0.020
 CGN      CA     C         single      1.510    0.020
 CGN      C      O         double      1.220    0.020
 CGN      H      C         single      1.077    0.020
 CGN      HA     CA        single      1.099    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
 CGN      O      C      H       123.000    3.000
 CGN      O      C      CA      120.500    3.000
 CGN      H      C      CA      120.000    3.000
 CGN      C      CA     HA      108.810    3.000
 CGN      C      CA     CB      109.470    3.000
 CGN      C      CA     N       111.600    3.000
 CGN      HA     CA     CB      108.340    3.000
 CGN      HA     CA     N       108.550    3.000
 CGN      CB     CA     N       110.000    3.000
 CGN      CA     CB     HB2     109.470    3.000
 CGN      CA     CB     HB1     109.470    3.000
 CGN      CA     CB     CG      111.000    3.000
 CGN      HB2    CB     HB1     107.900    3.000
 CGN      HB2    CB     CG      109.470    3.000
 CGN      HB1    CB     CG      109.470    3.000
 CGN      CA     N      HN      118.500    3.000
 CGN      CA     N      CD      121.500    3.000
 CGN      HN     N      CD      120.000    3.000
 CGN      N      CD     OE1     123.000    3.000
 CGN      N      CD     CG      116.500    3.000
 CGN      OE1    CD     CG      120.500    3.000
 CGN      CD     CG     HG2     109.470    3.000
 CGN      CD     CG     HG1     109.470    3.000
 CGN      CD     CG     CB      109.470    3.000
 CGN      HG2    CG     HG1     107.900    3.000
 CGN      HG2    CG     CB      109.470    3.000
 CGN      HG1    CG     CB      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
 CGN      var_1    O      C      CA     N          2.650   20.000   1
 CGN      var_2    C      CA     CB     CG      -150.000   20.000   3
 CGN      var_3    CA     CB     CG     CD        30.000   20.000   3
 CGN      var_4    C      CA     N      CD       150.000   20.000   3
 CGN      CONST_1  CA     N      CD     CG         0.000    0.000   0
 CGN      var_5    N      CD     CG     CB       -30.000   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
 CGN      chir_01  CA     CB     N      C         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
 CGN      plan-1    CD        0.020
 CGN      plan-1    CG        0.020
 CGN      plan-1    N         0.020
 CGN      plan-1    OE1       0.020
 CGN      plan-1    HN        0.020
 CGN      plan-2    N         0.020
 CGN      plan-2    CD        0.020
 CGN      plan-2    CA        0.020
 CGN      plan-2    HN        0.020
 CGN      plan-3    C         0.020
 CGN      plan-3    CA        0.020
 CGN      plan-3    O         0.020
 CGN      plan-3    H         0.020
# ------------------------------------------------------
