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
ALC      ALC '2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID ' peptide            28  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ALC
#
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
 ALC           N      N    NH2       0.000      0.000    0.000    0.000
 ALC           HN1    H    H         0.000      0.937   -0.247    0.296
 ALC           HN2    H    H         0.000     -0.151    0.872   -0.494
 ALC           CA     C    CH1       0.000     -1.128   -0.896    0.284
 ALC           HA     H    H         0.000     -1.824   -0.402    0.975
 ALC           CB     C    CH2       0.000     -1.855   -1.229   -1.020
 ALC           HB2    H    H         0.000     -2.692   -1.897   -0.808
 ALC           HB3    H    H         0.000     -1.162   -1.721   -1.706
 ALC           CG     C    CH1       0.000     -2.377    0.059   -1.657
 ALC           HG     H    H         0.000     -1.533    0.730   -1.870
 ALC           CD1    C    CH2       0.000     -3.344    0.748   -0.696
 ALC           HD12   H    H         0.000     -2.824    0.985    0.235
 ALC           HD13   H    H         0.000     -4.182    0.081   -0.483
 ALC           CE1    C    CH2       0.000     -3.866    2.037   -1.333
 ALC           HE13   H    H         0.000     -3.027    2.704   -1.543
 ALC           HE12   H    H         0.000     -4.557    2.528   -0.645
 ALC           CZ     C    CH2       0.000     -4.593    1.705   -2.637
 ALC           HZ3    H    H         0.000     -4.964    2.626   -3.091
 ALC           HZ2    H    H         0.000     -5.432    1.039   -2.426
 ALC           CE2    C    CH2       0.000     -3.623    1.015   -3.599
 ALC           HE23   H    H         0.000     -2.785    1.683   -3.810
 ALC           HE22   H    H         0.000     -4.143    0.779   -4.530
 ALC           CD2    C    CH2       0.000     -3.103   -0.274   -2.961
 ALC           HD22   H    H         0.000     -2.411   -0.766   -3.649
 ALC           HD23   H    H         0.000     -3.942   -0.941   -2.752
 ALC           C      C    C         0.000     -0.614   -2.166    0.912
 ALC           O      O    OC       -0.500      0.529   -2.588    0.627
 ALC           OXT    O    OC       -0.500     -1.331   -2.800    1.717
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
 ALC      N      n/a    CA     START
 ALC      HN1    N      .      .
 ALC      HN2    N      .      .
 ALC      CA     N      C      .
 ALC      HA     CA     .      .
 ALC      CB     CA     CG     .
 ALC      HB2    CB     .      .
 ALC      HB3    CB     .      .
 ALC      CG     CB     CD1    .
 ALC      HG     CG     .      .
 ALC      CD1    CG     CE1    .
 ALC      HD12   CD1    .      .
 ALC      HD13   CD1    .      .
 ALC      CE1    CD1    CZ     .
 ALC      HE13   CE1    .      .
 ALC      HE12   CE1    .      .
 ALC      CZ     CE1    CE2    .
 ALC      HZ3    CZ     .      .
 ALC      HZ2    CZ     .      .
 ALC      CE2    CZ     CD2    .
 ALC      HE23   CE2    .      .
 ALC      HE22   CE2    .      .
 ALC      CD2    CE2    HD23   .
 ALC      HD22   CD2    .      .
 ALC      HD23   CD2    .      .
 ALC      C      CA     .      END
 ALC      O      C      .      .
 ALC      OXT    C      .      .
 ALC      CG     CD2    .    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
 ALC      CA     N         single      1.450    0.020
 ALC      C      CA        single      1.500    0.020
 ALC      CB     CA        single      1.524    0.020
 ALC      HA     CA        single      1.099    0.020
 ALC      O      C         deloc       1.250    0.020
 ALC      OXT    C         deloc       1.250    0.020
 ALC      CG     CB        single      1.524    0.020
 ALC      HB2    CB        single      1.092    0.020
 ALC      HB3    CB        single      1.092    0.020
 ALC      CG     CD2       single      1.524    0.020
 ALC      CD1    CG        single      1.524    0.020
 ALC      HG     CG        single      1.099    0.020
 ALC      CD2    CE2       single      1.524    0.020
 ALC      HD23   CD2       single      1.092    0.020
 ALC      HD22   CD2       single      1.092    0.020
 ALC      CE2    CZ        single      1.524    0.020
 ALC      HE23   CE2       single      1.092    0.020
 ALC      HE22   CE2       single      1.092    0.020
 ALC      CZ     CE1       single      1.524    0.020
 ALC      HZ3    CZ        single      1.092    0.020
 ALC      HZ2    CZ        single      1.092    0.020
 ALC      CE1    CD1       single      1.524    0.020
 ALC      HE13   CE1       single      1.092    0.020
 ALC      HE12   CE1       single      1.092    0.020
 ALC      HD12   CD1       single      1.092    0.020
 ALC      HD13   CD1       single      1.092    0.020
 ALC      HN1    N         single      1.010    0.020
 ALC      HN2    N         single      1.010    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
 ALC      HN1    N      HN2     120.000    3.000
 ALC      HN1    N      CA      120.000    3.000
 ALC      HN2    N      CA      120.000    3.000
 ALC      N      CA     HA      109.470    3.000
 ALC      N      CA     CB      109.470    3.000
 ALC      N      CA     C       109.470    3.000
 ALC      HA     CA     CB      108.340    3.000
 ALC      HA     CA     C       108.810    3.000
 ALC      CB     CA     C       109.470    3.000
 ALC      CA     CB     HB2     109.470    3.000
 ALC      CA     CB     HB3     109.470    3.000
 ALC      CA     CB     CG      111.000    3.000
 ALC      HB2    CB     HB3     107.900    3.000
 ALC      HB2    CB     CG      109.470    3.000
 ALC      HB3    CB     CG      109.470    3.000
 ALC      CB     CG     HG      108.340    3.000
 ALC      CB     CG     CD1     109.470    3.000
 ALC      CB     CG     CD2     109.470    3.000
 ALC      HG     CG     CD1     108.340    3.000
 ALC      HG     CG     CD2     108.340    3.000
 ALC      CD1    CG     CD2     109.470    3.000
 ALC      CG     CD1    HD12    109.470    3.000
 ALC      CG     CD1    HD13    109.470    3.000
 ALC      CG     CD1    CE1     111.000    3.000
 ALC      HD12   CD1    HD13    107.900    3.000
 ALC      HD12   CD1    CE1     109.470    3.000
 ALC      HD13   CD1    CE1     109.470    3.000
 ALC      CD1    CE1    HE13    109.470    3.000
 ALC      CD1    CE1    HE12    109.470    3.000
 ALC      CD1    CE1    CZ      111.000    3.000
 ALC      HE13   CE1    HE12    107.900    3.000
 ALC      HE13   CE1    CZ      109.470    3.000
 ALC      HE12   CE1    CZ      109.470    3.000
 ALC      CE1    CZ     HZ3     109.470    3.000
 ALC      CE1    CZ     HZ2     109.470    3.000
 ALC      CE1    CZ     CE2     111.000    3.000
 ALC      HZ3    CZ     HZ2     107.900    3.000
 ALC      HZ3    CZ     CE2     109.470    3.000
 ALC      HZ2    CZ     CE2     109.470    3.000
 ALC      CZ     CE2    HE23    109.470    3.000
 ALC      CZ     CE2    HE22    109.470    3.000
 ALC      CZ     CE2    CD2     111.000    3.000
 ALC      HE23   CE2    HE22    107.900    3.000
 ALC      HE23   CE2    CD2     109.470    3.000
 ALC      HE22   CE2    CD2     109.470    3.000
 ALC      CE2    CD2    HD22    109.470    3.000
 ALC      CE2    CD2    HD23    109.470    3.000
 ALC      CE2    CD2    CG      111.000    3.000
 ALC      HD22   CD2    HD23    107.900    3.000
 ALC      HD22   CD2    CG      109.470    3.000
 ALC      HD23   CD2    CG      109.470    3.000
 ALC      CA     C      O       118.500    3.000
 ALC      CA     C      OXT     118.500    3.000
 ALC      O      C      OXT     123.000    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
 ALC      var_1    HN2    N      CA     C        175.000   20.000   1
 ALC      var_2    N      CA     CB     CG       -60.022   20.000   3
 ALC      var_3    CA     CB     CG     CD1      -59.923   20.000   3
 ALC      var_4    CB     CG     CD2    CE2      180.000   20.000   3
 ALC      var_5    CB     CG     CD1    CE1      180.000   20.000   3
 ALC      var_6    CG     CD1    CE1    CZ        60.000   20.000   3
 ALC      var_7    CD1    CE1    CZ     CE2      -60.000   20.000   3
 ALC      var_8    CE1    CZ     CE2    CD2       60.000   20.000   3
 ALC      var_9    CZ     CE2    CD2    CG       -60.000   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
 ALC      chir_01  CA     N      C      CB        positiv
 ALC      chir_02  CG     CB     CD2    CD1       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
 ALC      plan-1    N         0.020
 ALC      plan-1    CA        0.020
 ALC      plan-1    HN1       0.020
 ALC      plan-1    HN2       0.020
 ALC      plan-2    C         0.020
 ALC      plan-2    CA        0.020
 ALC      plan-2    O         0.020
 ALC      plan-2    OXT       0.020
# ------------------------------------------------------
