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
CPC      CPC '2-METHYL-1-METHYLAMINO-CYCLOPROPANE ' M-peptide          19   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CPC
#
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
 CPC           OXT    O    OC       -0.500      0.000    0.000    0.000
 CPC           C      C    C         0.000     -0.274   -0.822   -0.902
 CPC           O      O    OC       -0.500      0.398   -1.848   -1.147
 CPC           CA     C    CT        0.000     -1.491   -0.414   -1.627
 CPC           N      N    NH1       0.000     -1.170    0.544   -2.676
 CPC           H      H    H         0.000     -1.546    1.480   -2.732
 CPC           CN     C    CH3       0.000     -0.234   -0.027   -3.634
 CPC           HCN3   H    H         0.000      0.733   -0.069   -3.203
 CPC           HCN2   H    H         0.000     -0.546   -1.005   -3.894
 CPC           HCN1   H    H         0.000     -0.205    0.576   -4.505
 CPC           CG1    C    CH2       0.000     -2.772   -0.278   -0.850
 CPC           HG13   H    H         0.000     -3.623    0.340   -1.144
 CPC           HG12   H    H         0.000     -2.948   -0.685    0.148
 CPC           CB     C    CH1       0.000     -2.607   -1.403   -1.829
 CPC           HB     H    H         0.000     -3.167   -1.293   -2.768
 CPC           CG2    C    CH3       0.000     -2.497   -2.792   -1.316
 CPC           HG23   H    H         0.000     -3.183   -3.405   -1.835
 CPC           HG22   H    H         0.000     -1.512   -3.140   -1.474
 CPC           HG21   H    H         0.000     -2.719   -2.796   -0.284
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
 CPC      OXT    n/a    C      START
 CPC      C      OXT    CA     .
 CPC      O      C      .      .
 CPC      CA     C      CG1    .
 CPC      N      CA     CN     .
 CPC      H      N      .      .
 CPC      CN     N      HCN1   .
 CPC      HCN3   CN     .      .
 CPC      HCN2   CN     .      .
 CPC      HCN1   CN     .      .
 CPC      CG1    CA     CB     .
 CPC      HG13   CG1    .      .
 CPC      HG12   CG1    .      .
 CPC      CB     CG1    CG2    .
 CPC      HB     CB     .      .
 CPC      CG2    CB     HG21   .
 CPC      HG23   CG2    .      .
 CPC      HG22   CG2    .      .
 CPC      HG21   CG2    .      END
 CPC      CA     CB     .    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
 CPC      CN     N         single      1.450    0.020
 CPC      N      CA        single      1.450    0.020
 CPC      H      N         single      1.010    0.020
 CPC      HCN1   CN        single      1.059    0.020
 CPC      HCN2   CN        single      1.059    0.020
 CPC      HCN3   CN        single      1.059    0.020
 CPC      CA     CB        single      1.524    0.020
 CPC      CG1    CA        single      1.524    0.020
 CPC      CA     C         single      1.507    0.020
 CPC      CB     CG1       single      1.524    0.020
 CPC      CG2    CB        single      1.524    0.020
 CPC      HB     CB        single      1.099    0.020
 CPC      HG13   CG1       single      1.092    0.020
 CPC      HG12   CG1       single      1.092    0.020
 CPC      HG21   CG2       single      1.059    0.020
 CPC      HG22   CG2       single      1.059    0.020
 CPC      HG23   CG2       single      1.059    0.020
 CPC      O      C         deloc       1.250    0.020
 CPC      C      OXT       deloc       1.250    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
 CPC      OXT    C      O       123.000    3.000
 CPC      OXT    C      CA      118.500    3.000
 CPC      O      C      CA      118.500    3.000
 CPC      C      CA     N       111.600    3.000
 CPC      C      CA     CG1     109.470    3.000
 CPC      C      CA     CB      109.470    3.000
 CPC      N      CA     CG1     110.000    3.000
 CPC      N      CA     CB      110.000    3.000
 CPC      CG1    CA     CB       60.000    3.000
 CPC      CA     N      H       118.500    3.000
 CPC      CA     N      CN      120.000    3.000
 CPC      H      N      CN      118.500    3.000
 CPC      N      CN     HCN3    109.470    3.000
 CPC      N      CN     HCN2    109.470    3.000
 CPC      N      CN     HCN1    109.470    3.000
 CPC      HCN3   CN     HCN2    109.470    3.000
 CPC      HCN3   CN     HCN1    109.470    3.000
 CPC      HCN2   CN     HCN1    109.470    3.000
 CPC      CA     CG1    HG13    109.470    3.000
 CPC      CA     CG1    HG12    109.470    3.000
 CPC      CA     CG1    CB       60.000    3.000
 CPC      HG13   CG1    HG12    107.900    3.000
 CPC      HG13   CG1    CB      109.470    3.000
 CPC      HG12   CG1    CB      109.470    3.000
 CPC      CG1    CB     HB      108.340    3.000
 CPC      CG1    CB     CG2     111.000    3.000
 CPC      CG1    CB     CA       60.000    3.000
 CPC      HB     CB     CG2     108.340    3.000
 CPC      HB     CB     CA      108.340    3.000
 CPC      CG2    CB     CA      111.000    3.000
 CPC      CB     CG2    HG23    109.470    3.000
 CPC      CB     CG2    HG22    109.470    3.000
 CPC      CB     CG2    HG21    109.470    3.000
 CPC      HG23   CG2    HG22    109.470    3.000
 CPC      HG23   CG2    HG21    109.470    3.000
 CPC      HG22   CG2    HG21    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
 CPC      var_1    OXT    C      CA     CG1      -59.947   20.000   1
 CPC      var_2    C      CA     CB     CG1      107.394   20.000   1
 CPC      var_3    C      CA     N      CN        59.567   20.000   1
 CPC      var_4    CA     N      CN     HCN1     165.648   20.000   1
 CPC      var_5    C      CA     CG1    CB      -109.787   20.000   1
 CPC      var_6    CA     CG1    CB     CG2      111.029   20.000   3
 CPC      var_7    CG1    CB     CG2    HG21       9.536   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
 CPC      chir_01  CA     N      CB     CG1       positiv
 CPC      chir_02  CB     CA     CG1    CG2       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
 CPC      plan-1    N         0.020
 CPC      plan-1    CN        0.020
 CPC      plan-1    CA        0.020
 CPC      plan-1    H         0.020
 CPC      plan-2    C         0.020
 CPC      plan-2    CA        0.020
 CPC      plan-2    O         0.020
 CPC      plan-2    OXT       0.020
# ------------------------------------------------------
