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
NMC      NMC 'N-CYCLOPROPYLMETHYL GLYCINE         ' M-peptide          19   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NMC
#
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
 NMC           OXT    O    OC       -0.500      0.000    0.000    0.000
 NMC           C      C    C         0.000     -1.011   -0.132   -0.725
 NMC           O      O    OC       -0.500     -0.879   -0.378   -1.944
 NMC           CA     C    CH2       0.000     -2.389    0.004   -0.130
 NMC           HA1    H    H         0.000     -2.500    1.001    0.301
 NMC           HA2    H    H         0.000     -2.523   -0.747    0.651
 NMC           N      N    NH1       0.000     -3.397   -0.192   -1.179
 NMC           H      H    H         0.000     -3.223   -0.390   -2.154
 NMC           CN     C    CH2       0.000     -4.709   -0.046   -0.536
 NMC           HCN1   H    H         0.000     -4.791    0.952   -0.100
 NMC           HCN2   H    H         0.000     -4.813   -0.795    0.251
 NMC           CX1    C    CH1       0.000     -5.813   -0.241   -1.577
 NMC           HCX1   H    H         0.000     -5.612   -0.969   -2.376
 NMC           CX3    C    CH2       0.000     -6.649    0.981   -1.958
 NMC           HC31   H    H         0.000     -7.222    1.087   -2.882
 NMC           HC32   H    H         0.000     -6.672    1.923   -1.407
 NMC           CX2    C    CH2       0.000     -7.262   -0.127   -1.102
 NMC           HC22   H    H         0.000     -7.839   -0.971   -1.486
 NMC           HC21   H    H         0.000     -7.290   -0.135   -0.011
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
 NMC      OXT    n/a    C      START
 NMC      C      OXT    CA     .
 NMC      O      C      .      .
 NMC      CA     C      N      .
 NMC      HA1    CA     .      .
 NMC      HA2    CA     .      .
 NMC      N      CA     CN     .
 NMC      H      N      .      .
 NMC      CN     N      CX1    .
 NMC      HCN1   CN     .      .
 NMC      HCN2   CN     .      .
 NMC      CX1    CN     CX3    .
 NMC      HCX1   CX1    .      .
 NMC      CX3    CX1    CX2    .
 NMC      HC31   CX3    .      .
 NMC      HC32   CX3    .      .
 NMC      CX2    CX3    HC21   .
 NMC      HC22   CX2    .      .
 NMC      HC21   CX2    .      END
 NMC      CX1    CX2    .    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
 NMC      N      CA        single      1.450    0.020
 NMC      CN     N         single      1.450    0.020
 NMC      H      N         single      1.010    0.020
 NMC      CA     C         single      1.510    0.020
 NMC      HA1    CA        single      1.092    0.020
 NMC      HA2    CA        single      1.092    0.020
 NMC      O      C         deloc       1.250    0.020
 NMC      C      OXT       deloc       1.250    0.020
 NMC      CX1    CN        single      1.524    0.020
 NMC      HCN1   CN        single      1.092    0.020
 NMC      HCN2   CN        single      1.092    0.020
 NMC      CX1    CX2       single      1.524    0.020
 NMC      CX3    CX1       single      1.524    0.020
 NMC      HCX1   CX1       single      1.099    0.020
 NMC      CX2    CX3       single      1.524    0.020
 NMC      HC21   CX2       single      1.092    0.020
 NMC      HC22   CX2       single      1.092    0.020
 NMC      HC31   CX3       single      1.092    0.020
 NMC      HC32   CX3       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
 NMC      OXT    C      O       123.000    3.000
 NMC      OXT    C      CA      118.500    3.000
 NMC      O      C      CA      118.500    3.000
 NMC      C      CA     HA1     109.470    3.000
 NMC      C      CA     HA2     109.470    3.000
 NMC      C      CA     N       111.600    3.000
 NMC      HA1    CA     HA2     107.900    3.000
 NMC      HA1    CA     N       109.470    3.000
 NMC      HA2    CA     N       109.470    3.000
 NMC      CA     N      H       118.500    3.000
 NMC      CA     N      CN      120.000    3.000
 NMC      H      N      CN      118.500    3.000
 NMC      N      CN     HCN1    109.470    3.000
 NMC      N      CN     HCN2    109.470    3.000
 NMC      N      CN     CX1     110.000    3.000
 NMC      HCN1   CN     HCN2    107.900    3.000
 NMC      HCN1   CN     CX1     109.470    3.000
 NMC      HCN2   CN     CX1     109.470    3.000
 NMC      CN     CX1    HCX1    108.340    3.000
 NMC      CN     CX1    CX3     109.470    3.000
 NMC      CN     CX1    CX2     109.470    3.000
 NMC      HCX1   CX1    CX3     108.340    3.000
 NMC      HCX1   CX1    CX2     108.340    3.000
 NMC      CX3    CX1    CX2      60.000    3.000
 NMC      CX1    CX3    HC31    109.470    3.000
 NMC      CX1    CX3    HC32    109.470    3.000
 NMC      CX1    CX3    CX2      60.000    3.000
 NMC      HC31   CX3    HC32    107.900    3.000
 NMC      HC31   CX3    CX2     109.470    3.000
 NMC      HC32   CX3    CX2     109.470    3.000
 NMC      CX3    CX2    HC22    109.470    3.000
 NMC      CX3    CX2    HC21    109.470    3.000
 NMC      CX3    CX2    CX1      60.000    3.000
 NMC      HC22   CX2    HC21    107.900    3.000
 NMC      HC22   CX2    CX1     109.470    3.000
 NMC      HC21   CX2    CX1     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
 NMC      var_1    OXT    C      CA     N        179.961   20.000   3
 NMC      var_2    C      CA     N      CN      -179.984   20.000   3
 NMC      var_3    CA     N      CN     CX1     -179.951   20.000   3
 NMC      var_4    N      CN     CX1    CX3     -111.406   20.000   3
 NMC      var_5    CN     CX1    CX2    CX3      107.495   20.000   3
 NMC      var_6    CN     CX1    CX3    CX2     -107.518   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
 NMC      chir_01  CX1    CN     CX2    CX3       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
 NMC      plan-1    N         0.020
 NMC      plan-1    CA        0.020
 NMC      plan-1    CN        0.020
 NMC      plan-1    H         0.020
 NMC      plan-2    C         0.020
 NMC      plan-2    CA        0.020
 NMC      plan-2    O         0.020
 NMC      plan-2    OXT       0.020
# ------------------------------------------------------
