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
YCP      YCP '(2S)-piperidine-2-carboxylic acid   ' non-polymer        19   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_YCP
#
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
 YCP           OXT    O    OC       -0.500      0.000    0.000    0.000
 YCP           C      C    C         0.000     -1.188   -0.331    0.208
 YCP           O      O    OC       -0.500     -1.458   -1.180    1.086
 YCP           CA     C    CH1       0.000     -2.298    0.299   -0.596
 YCP           HA     H    H         0.000     -1.980    0.397   -1.643
 YCP           CB     C    CH2       0.000     -2.616    1.684   -0.028
 YCP           HB     H    H         0.000     -1.730    2.319   -0.094
 YCP           HBA    H    H         0.000     -2.918    1.590    1.017
 YCP           CG     C    CH2       0.000     -3.756    2.311   -0.836
 YCP           HG     H    H         0.000     -3.440    2.443   -1.872
 YCP           HGA    H    H         0.000     -4.016    3.281   -0.409
 YCP           CD     C    CH2       0.000     -4.975    1.386   -0.786
 YCP           HD     H    H         0.000     -5.778    1.808   -1.394
 YCP           HDA    H    H         0.000     -5.317    1.287    0.246
 YCP           CE     C    CH2       0.000     -4.588    0.010   -1.332
 YCP           HE     H    H         0.000     -4.263    0.110   -2.370
 YCP           HEA    H    H         0.000     -5.453   -0.655   -1.285
 YCP           N      N    NH1       0.000     -3.494   -0.548   -0.526
 YCP           HN     H    H         0.000     -3.558   -1.403    0.008
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
 YCP      OXT    n/a    C      START
 YCP      C      OXT    CA     .
 YCP      O      C      .      .
 YCP      CA     C      CB     .
 YCP      HA     CA     .      .
 YCP      CB     CA     CG     .
 YCP      HB     CB     .      .
 YCP      HBA    CB     .      .
 YCP      CG     CB     CD     .
 YCP      HG     CG     .      .
 YCP      HGA    CG     .      .
 YCP      CD     CG     CE     .
 YCP      HD     CD     .      .
 YCP      HDA    CD     .      .
 YCP      CE     CD     N      .
 YCP      HE     CE     .      .
 YCP      HEA    CE     .      .
 YCP      N      CE     HN     .
 YCP      HN     N      .      END
 YCP      N      CA     .    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
 YCP      O      C         deloc       1.250    0.020
 YCP      CA     C         single      1.500    0.020
 YCP      C      OXT       deloc       1.250    0.020
 YCP      N      CA        single      1.450    0.020
 YCP      N      CE        single      1.450    0.020
 YCP      CB     CA        single      1.524    0.020
 YCP      CG     CB        single      1.524    0.020
 YCP      CE     CD        single      1.524    0.020
 YCP      CD     CG        single      1.524    0.020
 YCP      HN     N         single      1.010    0.020
 YCP      HA     CA        single      1.099    0.020
 YCP      HB     CB        single      1.092    0.020
 YCP      HBA    CB        single      1.092    0.020
 YCP      HD     CD        single      1.092    0.020
 YCP      HDA    CD        single      1.092    0.020
 YCP      HE     CE        single      1.092    0.020
 YCP      HEA    CE        single      1.092    0.020
 YCP      HG     CG        single      1.092    0.020
 YCP      HGA    CG        single      1.092    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
 YCP      OXT    C      O       123.000    3.000
 YCP      OXT    C      CA      118.500    3.000
 YCP      O      C      CA      118.500    3.000
 YCP      C      CA     HA      108.810    3.000
 YCP      C      CA     CB      109.470    3.000
 YCP      C      CA     N       111.600    3.000
 YCP      HA     CA     CB      108.340    3.000
 YCP      HA     CA     N       108.550    3.000
 YCP      CB     CA     N       110.000    3.000
 YCP      CA     CB     HB      109.470    3.000
 YCP      CA     CB     HBA     109.470    3.000
 YCP      CA     CB     CG      111.000    3.000
 YCP      HB     CB     HBA     107.900    3.000
 YCP      HB     CB     CG      109.470    3.000
 YCP      HBA    CB     CG      109.470    3.000
 YCP      CB     CG     HG      109.470    3.000
 YCP      CB     CG     HGA     109.470    3.000
 YCP      CB     CG     CD      111.000    3.000
 YCP      HG     CG     HGA     107.900    3.000
 YCP      HG     CG     CD      109.470    3.000
 YCP      HGA    CG     CD      109.470    3.000
 YCP      CG     CD     HD      109.470    3.000
 YCP      CG     CD     HDA     109.470    3.000
 YCP      CG     CD     CE      111.000    3.000
 YCP      HD     CD     HDA     107.900    3.000
 YCP      HD     CD     CE      109.470    3.000
 YCP      HDA    CD     CE      109.470    3.000
 YCP      CD     CE     HE      109.470    3.000
 YCP      CD     CE     HEA     109.470    3.000
 YCP      CD     CE     N       112.000    3.000
 YCP      HE     CE     HEA     107.900    3.000
 YCP      HE     CE     N       109.470    3.000
 YCP      HEA    CE     N       109.470    3.000
 YCP      CE     N      HN      118.500    3.000
 YCP      CE     N      CA      120.000    3.000
 YCP      HN     N      CA      118.500    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
 YCP      var_1    OXT    C      CA     CB       -79.691   20.000   3
 YCP      var_2    C      CA     CB     CG       180.000   20.000   3
 YCP      var_3    CA     CB     CG     CD        60.000   20.000   3
 YCP      var_4    CB     CG     CD     CE       -60.000   20.000   3
 YCP      var_5    CG     CD     CE     N         60.000   20.000   3
 YCP      var_6    CD     CE     N      CA       -60.000   20.000   3
 YCP      var_7    CE     N      CA     C        180.000   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
 YCP      chir_01  CA     C      N      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
 YCP      plan-1    C         0.020
 YCP      plan-1    O         0.020
 YCP      plan-1    CA        0.020
 YCP      plan-1    OXT       0.020
 YCP      plan-2    N         0.020
 YCP      plan-2    CA        0.020
 YCP      plan-2    CE        0.020
 YCP      plan-2    HN        0.020
# ------------------------------------------------------
