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
LYM      LYM 'DEOXY-METHYL-LYSINE                 ' non-polymer        26  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LYM
#
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
 LYM           O      O    O         0.000      0.000    0.000    0.000
 LYM           C      C    C         0.000     -0.654   -0.791   -0.636
 LYM           CM     C    CH3       0.000      0.006   -1.629   -1.700
 LYM           HM3    H    H         0.000     -0.107   -2.656   -1.465
 LYM           HM2    H    H         0.000     -0.445   -1.431   -2.638
 LYM           HM1    H    H         0.000      1.038   -1.392   -1.749
 LYM           CA     C    CH1       0.000     -2.129   -0.939   -0.368
 LYM           HA     H    H         0.000     -2.440   -1.969   -0.589
 LYM           N      N    NH2       0.000     -2.402   -0.637    1.044
 LYM           H2     H    H         0.000     -1.638   -0.469    1.689
 LYM           H      H    H         0.000     -3.356   -0.595    1.384
 LYM           CB     C    CH2       0.000     -2.910    0.031   -1.255
 LYM           HB2    H    H         0.000     -2.706   -0.192   -2.304
 LYM           HB3    H    H         0.000     -2.599    1.055   -1.035
 LYM           CG     C    CH2       0.000     -4.407   -0.119   -0.983
 LYM           HG2    H    H         0.000     -4.608    0.104    0.067
 LYM           HG3    H    H         0.000     -4.714   -1.143   -1.202
 LYM           CD     C    CH2       0.000     -5.188    0.852   -1.870
 LYM           HD2    H    H         0.000     -4.983    0.628   -2.919
 LYM           HD3    H    H         0.000     -4.877    1.875   -1.650
 LYM           CE     C    CH2       0.000     -6.685    0.702   -1.598
 LYM           HE2    H    H         0.000     -6.887    0.924   -0.548
 LYM           HE3    H    H         0.000     -6.993   -0.322   -1.818
 LYM           NZ     N    NH2       0.000     -7.435    1.634   -2.449
 LYM           HZ2    H    H         0.000     -6.946    2.247   -3.091
 LYM           HZ1    H    H         0.000     -8.446    1.671   -2.400
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
 LYM      O      n/a    C      START
 LYM      C      O      CA     .
 LYM      CM     C      HM1    .
 LYM      HM3    CM     .      .
 LYM      HM2    CM     .      .
 LYM      HM1    CM     .      .
 LYM      CA     C      CB     .
 LYM      HA     CA     .      .
 LYM      N      CA     H      .
 LYM      H2     N      .      .
 LYM      H      N      .      .
 LYM      CB     CA     CG     .
 LYM      HB2    CB     .      .
 LYM      HB3    CB     .      .
 LYM      CG     CB     CD     .
 LYM      HG2    CG     .      .
 LYM      HG3    CG     .      .
 LYM      CD     CG     CE     .
 LYM      HD2    CD     .      .
 LYM      HD3    CD     .      .
 LYM      CE     CD     NZ     .
 LYM      HE2    CE     .      .
 LYM      HE3    CE     .      .
 LYM      NZ     CE     HZ1    .
 LYM      HZ2    NZ     .      .
 LYM      HZ1    NZ     .      END
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
 LYM      N      CA        single      1.450    0.020
 LYM      H      N         single      1.010    0.020
 LYM      H2     N         single      1.010    0.020
 LYM      CA     C         single      1.500    0.020
 LYM      CB     CA        single      1.524    0.020
 LYM      HA     CA        single      1.099    0.020
 LYM      C      O         double      1.220    0.020
 LYM      CM     C         single      1.500    0.020
 LYM      CG     CB        single      1.524    0.020
 LYM      HB2    CB        single      1.092    0.020
 LYM      HB3    CB        single      1.092    0.020
 LYM      CD     CG        single      1.524    0.020
 LYM      HG2    CG        single      1.092    0.020
 LYM      HG3    CG        single      1.092    0.020
 LYM      CE     CD        single      1.524    0.020
 LYM      HD2    CD        single      1.092    0.020
 LYM      HD3    CD        single      1.092    0.020
 LYM      NZ     CE        single      1.450    0.020
 LYM      HE2    CE        single      1.092    0.020
 LYM      HE3    CE        single      1.092    0.020
 LYM      HZ1    NZ        single      1.010    0.020
 LYM      HZ2    NZ        single      1.010    0.020
 LYM      HM1    CM        single      1.059    0.020
 LYM      HM2    CM        single      1.059    0.020
 LYM      HM3    CM        single      1.059    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
 LYM      O      C      CM      123.000    3.000
 LYM      O      C      CA      120.500    3.000
 LYM      CM     C      CA      120.000    3.000
 LYM      C      CM     HM3     109.470    3.000
 LYM      C      CM     HM2     109.470    3.000
 LYM      C      CM     HM1     109.470    3.000
 LYM      HM3    CM     HM2     109.470    3.000
 LYM      HM3    CM     HM1     109.470    3.000
 LYM      HM2    CM     HM1     109.470    3.000
 LYM      C      CA     HA      108.810    3.000
 LYM      C      CA     N       109.470    3.000
 LYM      C      CA     CB      109.470    3.000
 LYM      HA     CA     N       109.470    3.000
 LYM      HA     CA     CB      108.340    3.000
 LYM      N      CA     CB      109.470    3.000
 LYM      CA     N      H2      120.000    3.000
 LYM      CA     N      H       120.000    3.000
 LYM      H2     N      H       120.000    3.000
 LYM      CA     CB     HB2     109.470    3.000
 LYM      CA     CB     HB3     109.470    3.000
 LYM      CA     CB     CG      111.000    3.000
 LYM      HB2    CB     HB3     107.900    3.000
 LYM      HB2    CB     CG      109.470    3.000
 LYM      HB3    CB     CG      109.470    3.000
 LYM      CB     CG     HG2     109.470    3.000
 LYM      CB     CG     HG3     109.470    3.000
 LYM      CB     CG     CD      111.000    3.000
 LYM      HG2    CG     HG3     107.900    3.000
 LYM      HG2    CG     CD      109.470    3.000
 LYM      HG3    CG     CD      109.470    3.000
 LYM      CG     CD     HD2     109.470    3.000
 LYM      CG     CD     HD3     109.470    3.000
 LYM      CG     CD     CE      111.000    3.000
 LYM      HD2    CD     HD3     107.900    3.000
 LYM      HD2    CD     CE      109.470    3.000
 LYM      HD3    CD     CE      109.470    3.000
 LYM      CD     CE     HE2     109.470    3.000
 LYM      CD     CE     HE3     109.470    3.000
 LYM      CD     CE     NZ      109.470    3.000
 LYM      HE2    CE     HE3     107.900    3.000
 LYM      HE2    CE     NZ      109.470    3.000
 LYM      HE3    CE     NZ      109.470    3.000
 LYM      CE     NZ     HZ2     120.000    3.000
 LYM      CE     NZ     HZ1     120.000    3.000
 LYM      HZ2    NZ     HZ1     120.000    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
 LYM      var_1    O      C      CM     HM1        0.069   20.000   1
 LYM      var_2    O      C      CA     CB        89.921   20.000   3
 LYM      var_3    C      CA     N      H        173.854   20.000   1
 LYM      var_4    C      CA     CB     CG      -179.988   20.000   3
 LYM      var_5    CA     CB     CG     CD       180.000   20.000   3
 LYM      var_6    CB     CG     CD     CE       180.000   20.000   3
 LYM      var_7    CG     CD     CE     NZ       179.970   20.000   3
 LYM      var_8    CD     CE     NZ     HZ1     -179.992   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
 LYM      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
 LYM      plan-1    N         0.020
 LYM      plan-1    CA        0.020
 LYM      plan-1    H         0.020
 LYM      plan-1    H2        0.020
 LYM      plan-2    C         0.020
 LYM      plan-2    CA        0.020
 LYM      plan-2    O         0.020
 LYM      plan-2    CM        0.020
 LYM      plan-3    NZ        0.020
 LYM      plan-3    CE        0.020
 LYM      plan-3    HZ1       0.020
 LYM      plan-3    HZ2       0.020
# ------------------------------------------------------
