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
0A0      0A0 '2-methyl-L-aspartic acid            ' peptide            17  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_0A0
#
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
 0A0           N      N    NH2       0.000      0.000    0.000    0.000
 0A0           HN1    H    H         0.000      0.326    0.920    0.266
 0A0           HN2    H    H         0.000      0.322   -0.813    0.509
 0A0           CA     C    CT        0.000     -0.937   -0.155   -1.121
 0A0           CM     C    CH3       0.000     -0.258   -0.931   -2.250
 0A0           HMC3   H    H         0.000     -0.934   -1.043   -3.059
 0A0           HMC2   H    H         0.000      0.598   -0.401   -2.579
 0A0           HMC1   H    H         0.000      0.033   -1.887   -1.899
 0A0           CB     C    CH2       0.000     -2.175   -0.922   -0.648
 0A0           HBC1   H    H         0.000     -1.878   -1.911   -0.295
 0A0           HBC2   H    H         0.000     -2.876   -1.028   -1.479
 0A0           CG     C    C         0.000     -2.836   -0.164    0.475
 0A0           OD1    O    OC       -0.500     -2.417    0.970    0.797
 0A0           OD2    O    OC       -0.500     -3.804   -0.670    1.086
 0A0           C      C    C         0.000     -1.350    1.206   -1.623
 0A0           O      O    OC       -0.500     -2.513    1.390   -2.046
 0A0           OXT    O    OC       -0.500     -0.529    2.150   -1.616
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
 0A0      N      n/a    CA     START
 0A0      HN1    N      .      .
 0A0      HN2    N      .      .
 0A0      CA     N      C      .
 0A0      CM     CA     HMC1   .
 0A0      HMC3   CM     .      .
 0A0      HMC2   CM     .      .
 0A0      HMC1   CM     .      .
 0A0      CB     CA     CG     .
 0A0      HBC1   CB     .      .
 0A0      HBC2   CB     .      .
 0A0      CG     CB     OD2    .
 0A0      OD1    CG     .      .
 0A0      OD2    CG     .      .
 0A0      C      CA     .      END
 0A0      O      C      .      .
 0A0      OXT    C      .      .
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
 0A0      CA     N         single      1.462    0.020
 0A0      C      CA        single      1.507    0.020
 0A0      CB     CA        single      1.524    0.020
 0A0      CM     CA        single      1.524    0.020
 0A0      O      C         deloc       1.250    0.020
 0A0      OXT    C         deloc       1.250    0.020
 0A0      CG     CB        single      1.510    0.020
 0A0      HBC1   CB        single      1.092    0.020
 0A0      HBC2   CB        single      1.092    0.020
 0A0      OD1    CG        deloc       1.250    0.020
 0A0      OD2    CG        deloc       1.250    0.020
 0A0      HMC1   CM        single      1.059    0.020
 0A0      HMC2   CM        single      1.059    0.020
 0A0      HMC3   CM        single      1.059    0.020
 0A0      HN1    N         single      1.010    0.020
 0A0      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
 0A0      HN1    N      HN2     120.000    3.000
 0A0      HN1    N      CA      120.000    3.000
 0A0      HN2    N      CA      120.000    3.000
 0A0      N      CA     CB      109.500    3.000
 0A0      N      CA     CM      109.500    3.000
 0A0      N      CA     C       109.500    3.000
 0A0      CB     CA     CM      111.000    3.000
 0A0      CB     CA     C       109.470    3.000
 0A0      CM     CA     C       109.470    3.000
 0A0      CA     CB     HBC1    109.470    3.000
 0A0      CA     CB     HBC2    109.470    3.000
 0A0      CA     CB     CG      109.470    3.000
 0A0      HBC1   CB     HBC2    107.900    3.000
 0A0      HBC1   CB     CG      109.470    3.000
 0A0      HBC2   CB     CG      109.470    3.000
 0A0      CB     CG     OD1     118.500    3.000
 0A0      CB     CG     OD2     118.500    3.000
 0A0      OD1    CG     OD2     123.000    3.000
 0A0      CA     CM     HMC3    109.470    3.000
 0A0      CA     CM     HMC2    109.470    3.000
 0A0      CA     CM     HMC1    109.470    3.000
 0A0      HMC3   CM     HMC2    109.470    3.000
 0A0      HMC3   CM     HMC1    109.470    3.000
 0A0      HMC2   CM     HMC1    109.470    3.000
 0A0      CA     C      O       118.500    3.000
 0A0      CA     C      OXT     118.500    3.000
 0A0      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
 0A0      var_1    HN2    N      CA     C        175.000   20.000   1
 0A0      var_2    N      CA     CB     CG        59.422   20.000   1
 0A0      var_3    CA     CB     CG     OD2     -173.926   20.000   3
 0A0      var_4    N      CA     CM     HMC1      59.946   20.000   1
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
 0A0      chir_01  CA     N      C      CB        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
 0A0      plan-1    N         0.020
 0A0      plan-1    CA        0.020
 0A0      plan-1    HN1       0.020
 0A0      plan-1    HN2       0.020
 0A0      plan-2    C         0.020
 0A0      plan-2    CA        0.020
 0A0      plan-2    O         0.020
 0A0      plan-2    OXT       0.020
 0A0      plan-3    CG        0.020
 0A0      plan-3    CB        0.020
 0A0      plan-3    OD1       0.020
 0A0      plan-3    OD2       0.020
# ------------------------------------------------------
