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
XCP      XCP '(1S,2S)-2-aminocyclopentanecarboxyli' non-polymer        19   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_XCP
#
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
 XCP           OXT    O    OC       -0.500      0.000    0.000    0.000
 XCP           C      C    C         0.000     -1.092   -0.542   -0.282
 XCP           O      O    OC       -0.500     -1.124   -1.508   -1.077
 XCP           CA     C    CH1       0.000     -2.368   -0.033    0.337
 XCP           HA     H    H         0.000     -2.329   -0.129    1.431
 XCP           CB     C    CH1       0.000     -3.585   -0.793   -0.230
 XCP           HB     H    H         0.000     -3.336   -1.223   -1.210
 XCP           N      N    NH2       0.000     -3.990   -1.857    0.698
 XCP           HNA    H    H         0.000     -3.472   -2.013    1.555
 XCP           HN     H    H         0.000     -4.790   -2.442    0.488
 XCP           CE     C    CH2       0.000     -2.618    1.441   -0.069
 XCP           HE     H    H         0.000     -2.346    1.643   -1.108
 XCP           HEA    H    H         0.000     -2.106    2.151    0.584
 XCP           CD     C    CH2       0.000     -4.149    1.589    0.104
 XCP           HD     H    H         0.000     -4.554    2.395   -0.510
 XCP           HDA    H    H         0.000     -4.429    1.751    1.147
 XCP           CG     C    CH2       0.000     -4.717    0.238   -0.379
 XCP           HGA    H    H         0.000     -5.022    0.296   -1.425
 XCP           HG     H    H         0.000     -5.570   -0.066    0.232
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
 XCP      OXT    n/a    C      START
 XCP      C      OXT    CA     .
 XCP      O      C      .      .
 XCP      CA     C      CE     .
 XCP      HA     CA     .      .
 XCP      CB     CA     N      .
 XCP      HB     CB     .      .
 XCP      N      CB     HN     .
 XCP      HNA    N      .      .
 XCP      HN     N      .      .
 XCP      CE     CA     CD     .
 XCP      HE     CE     .      .
 XCP      HEA    CE     .      .
 XCP      CD     CE     CG     .
 XCP      HD     CD     .      .
 XCP      HDA    CD     .      .
 XCP      CG     CD     HG     .
 XCP      HGA    CG     .      .
 XCP      HG     CG     .      END
 XCP      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
 XCP      HN     N         single      1.010    0.020
 XCP      HNA    N         single      1.010    0.020
 XCP      N      CB        single      1.450    0.020
 XCP      CB     CG        single      1.524    0.020
 XCP      HGA    CG        single      1.092    0.020
 XCP      CG     CD        single      1.524    0.020
 XCP      HD     CD        single      1.092    0.020
 XCP      CD     CE        single      1.524    0.020
 XCP      CE     CA        single      1.524    0.020
 XCP      HE     CE        single      1.092    0.020
 XCP      CB     CA        single      1.524    0.020
 XCP      HA     CA        single      1.099    0.020
 XCP      CA     C         single      1.500    0.020
 XCP      C      OXT       deloc       1.250    0.020
 XCP      O      C         deloc       1.250    0.020
 XCP      HB     CB        single      1.099    0.020
 XCP      HG     CG        single      1.092    0.020
 XCP      HDA    CD        single      1.092    0.020
 XCP      HEA    CE        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
 XCP      OXT    C      O       123.000    3.000
 XCP      OXT    C      CA      118.500    3.000
 XCP      O      C      CA      118.500    3.000
 XCP      C      CA     HA      108.810    3.000
 XCP      C      CA     CB      109.470    3.000
 XCP      C      CA     CE      109.470    3.000
 XCP      HA     CA     CB      108.340    3.000
 XCP      HA     CA     CE      108.340    3.000
 XCP      CB     CA     CE      111.000    3.000
 XCP      CA     CB     HB      108.340    3.000
 XCP      CA     CB     N       109.470    3.000
 XCP      CA     CB     CG      111.000    3.000
 XCP      HB     CB     N       109.470    3.000
 XCP      HB     CB     CG      108.340    3.000
 XCP      N      CB     CG      109.470    3.000
 XCP      CB     N      HNA     120.000    3.000
 XCP      CB     N      HN      120.000    3.000
 XCP      HNA    N      HN      120.000    3.000
 XCP      CA     CE     HE      109.470    3.000
 XCP      CA     CE     HEA     109.470    3.000
 XCP      CA     CE     CD      111.000    3.000
 XCP      HE     CE     HEA     107.900    3.000
 XCP      HE     CE     CD      109.470    3.000
 XCP      HEA    CE     CD      109.470    3.000
 XCP      CE     CD     HD      109.470    3.000
 XCP      CE     CD     HDA     109.470    3.000
 XCP      CE     CD     CG      111.000    3.000
 XCP      HD     CD     HDA     107.900    3.000
 XCP      HD     CD     CG      109.470    3.000
 XCP      HDA    CD     CG      109.470    3.000
 XCP      CD     CG     HGA     109.470    3.000
 XCP      CD     CG     HG      109.470    3.000
 XCP      CD     CG     CB      111.000    3.000
 XCP      HGA    CG     HG      107.900    3.000
 XCP      HGA    CG     CB      109.470    3.000
 XCP      HG     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
 XCP      var_1    OXT    C      CA     CE        61.473   20.000   3
 XCP      var_2    C      CA     CB     N         90.000   20.000   3
 XCP      var_3    CA     CB     CG     CD         0.000   20.000   3
 XCP      var_4    CA     CB     N      HN       178.631   20.000   1
 XCP      var_5    C      CA     CE     CD       150.000   20.000   3
 XCP      var_6    CA     CE     CD     CG       -30.000   20.000   3
 XCP      var_7    CE     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
 XCP      chir_01  CB     N      CG     CA        negativ
 XCP      chir_02  CA     CB     CE     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
 XCP      plan-1    N         0.020
 XCP      plan-1    CB        0.020
 XCP      plan-1    HN        0.020
 XCP      plan-1    HNA       0.020
 XCP      plan-2    C         0.020
 XCP      plan-2    CA        0.020
 XCP      plan-2    O         0.020
 XCP      plan-2    OXT       0.020
# ------------------------------------------------------
