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
LYN      LYN '2,6-DIAMINO-HEXANOIC ACID AMIDE     ' non-polymer        26  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LYN
#
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
 LYN           O      O    O         0.000      0.000    0.000    0.000
 LYN           C      C    C         0.000     -0.850   -0.520    0.692
 LYN           NT     N    NH2       0.000     -0.633   -1.740    1.223
 LYN           HNT2   H    H         0.000      0.238   -2.226    1.047
 LYN           HNT1   H    H         0.000     -1.339   -2.178    1.802
 LYN           CA     C    CH1       0.000     -2.148    0.197    0.957
 LYN           HA     H    H         0.000     -2.445    0.043    2.004
 LYN           N      N    NH2       0.000     -1.975    1.634    0.703
 LYN           H2     H    H         0.000     -2.127    2.307    1.445
 LYN           H      H    H         0.000     -1.701    1.962   -0.216
 LYN           CB     C    CH2       0.000     -3.235   -0.356    0.032
 LYN           HB2    H    H         0.000     -3.301   -1.439    0.157
 LYN           HB3    H    H         0.000     -2.981   -0.125   -1.005
 LYN           CG     C    CH2       0.000     -4.580    0.283    0.385
 LYN           HG2    H    H         0.000     -4.512    1.366    0.261
 LYN           HG3    H    H         0.000     -4.831    0.052    1.423
 LYN           CD     C    CH2       0.000     -5.665   -0.271   -0.539
 LYN           HD2    H    H         0.000     -5.731   -1.354   -0.414
 LYN           HD3    H    H         0.000     -5.412   -0.040   -1.576
 LYN           CE     C    CH2       0.000     -7.010    0.368   -0.186
 LYN           HE2    H    H         0.000     -6.942    1.451   -0.310
 LYN           HE3    H    H         0.000     -7.261    0.137    0.852
 LYN           NZ     N    NT3       1.000     -8.053   -0.163   -1.073
 LYN           HZ3    H    H         0.000     -8.115   -1.186   -0.952
 LYN           HZ2    H    H         0.000     -8.958    0.270   -0.832
 LYN           HZ1    H    H         0.000     -7.812    0.057   -2.052
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
 LYN      O      n/a    C      START
 LYN      C      O      CA     .
 LYN      NT     C      HNT1   .
 LYN      HNT2   NT     .      .
 LYN      HNT1   NT     .      .
 LYN      CA     C      CB     .
 LYN      HA     CA     .      .
 LYN      N      CA     H      .
 LYN      H2     N      .      .
 LYN      H      N      .      .
 LYN      CB     CA     CG     .
 LYN      HB2    CB     .      .
 LYN      HB3    CB     .      .
 LYN      CG     CB     CD     .
 LYN      HG2    CG     .      .
 LYN      HG3    CG     .      .
 LYN      CD     CG     CE     .
 LYN      HD2    CD     .      .
 LYN      HD3    CD     .      .
 LYN      CE     CD     NZ     .
 LYN      HE2    CE     .      .
 LYN      HE3    CE     .      .
 LYN      NZ     CE     HZ1    .
 LYN      HZ3    NZ     .      .
 LYN      HZ2    NZ     .      .
 LYN      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
 LYN      N      CA        single      1.450    0.020
 LYN      H      N         single      1.010    0.020
 LYN      H2     N         single      1.010    0.020
 LYN      CB     CA        single      1.524    0.020
 LYN      CA     C         single      1.500    0.020
 LYN      HA     CA        single      1.099    0.020
 LYN      CG     CB        single      1.524    0.020
 LYN      HB2    CB        single      1.092    0.020
 LYN      HB3    CB        single      1.092    0.020
 LYN      CD     CG        single      1.524    0.020
 LYN      HG2    CG        single      1.092    0.020
 LYN      HG3    CG        single      1.092    0.020
 LYN      CE     CD        single      1.524    0.020
 LYN      HD2    CD        single      1.092    0.020
 LYN      HD3    CD        single      1.092    0.020
 LYN      NZ     CE        single      1.488    0.020
 LYN      HE2    CE        single      1.092    0.020
 LYN      HE3    CE        single      1.092    0.020
 LYN      HZ1    NZ        single      1.033    0.020
 LYN      HZ2    NZ        single      1.033    0.020
 LYN      HZ3    NZ        single      1.033    0.020
 LYN      C      O         double      1.220    0.020
 LYN      NT     C         single      1.332    0.020
 LYN      HNT1   NT        single      1.010    0.020
 LYN      HNT2   NT        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
 LYN      O      C      NT      123.000    3.000
 LYN      O      C      CA      120.500    3.000
 LYN      NT     C      CA      120.000    3.000
 LYN      C      NT     HNT2    120.000    3.000
 LYN      C      NT     HNT1    120.000    3.000
 LYN      HNT2   NT     HNT1    120.000    3.000
 LYN      C      CA     HA      108.810    3.000
 LYN      C      CA     N       109.470    3.000
 LYN      C      CA     CB      109.470    3.000
 LYN      HA     CA     N       109.470    3.000
 LYN      HA     CA     CB      108.340    3.000
 LYN      N      CA     CB      109.470    3.000
 LYN      CA     N      H2      120.000    3.000
 LYN      CA     N      H       120.000    3.000
 LYN      H2     N      H       120.000    3.000
 LYN      CA     CB     HB2     109.470    3.000
 LYN      CA     CB     HB3     109.470    3.000
 LYN      CA     CB     CG      111.000    3.000
 LYN      HB2    CB     HB3     107.900    3.000
 LYN      HB2    CB     CG      109.470    3.000
 LYN      HB3    CB     CG      109.470    3.000
 LYN      CB     CG     HG2     109.470    3.000
 LYN      CB     CG     HG3     109.470    3.000
 LYN      CB     CG     CD      111.000    3.000
 LYN      HG2    CG     HG3     107.900    3.000
 LYN      HG2    CG     CD      109.470    3.000
 LYN      HG3    CG     CD      109.470    3.000
 LYN      CG     CD     HD2     109.470    3.000
 LYN      CG     CD     HD3     109.470    3.000
 LYN      CG     CD     CE      111.000    3.000
 LYN      HD2    CD     HD3     107.900    3.000
 LYN      HD2    CD     CE      109.470    3.000
 LYN      HD3    CD     CE      109.470    3.000
 LYN      CD     CE     HE2     109.470    3.000
 LYN      CD     CE     HE3     109.470    3.000
 LYN      CD     CE     NZ      110.000    3.000
 LYN      HE2    CE     HE3     107.900    3.000
 LYN      HE2    CE     NZ      109.470    3.000
 LYN      HE3    CE     NZ      109.470    3.000
 LYN      CE     NZ     HZ3     109.470    3.000
 LYN      CE     NZ     HZ2     109.470    3.000
 LYN      CE     NZ     HZ1     109.470    3.000
 LYN      HZ3    NZ     HZ2     109.470    3.000
 LYN      HZ3    NZ     HZ1     109.470    3.000
 LYN      HZ2    NZ     HZ1     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
 LYN      CONST_1  O      C      NT     HNT1     180.000    0.000   0
 LYN      var_1    O      C      CA     CB        99.933   20.000   3
 LYN      var_2    C      CA     N      H         60.032   20.000   1
 LYN      var_3    C      CA     CB     CG       175.004   20.000   3
 LYN      var_4    CA     CB     CG     CD      -179.970   20.000   3
 LYN      var_5    CB     CG     CD     CE       180.000   20.000   3
 LYN      var_6    CG     CD     CE     NZ       179.995   20.000   3
 LYN      var_7    CD     CE     NZ     HZ1      -59.955   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
 LYN      chir_01  CA     N      CB     C         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
 LYN      plan-1    N         0.020
 LYN      plan-1    CA        0.020
 LYN      plan-1    H         0.020
 LYN      plan-1    H2        0.020
 LYN      plan-2    C         0.020
 LYN      plan-2    CA        0.020
 LYN      plan-2    O         0.020
 LYN      plan-2    NT        0.020
 LYN      plan-2    HNT2      0.020
 LYN      plan-2    HNT1      0.020
 LYN      plan-3    NT        0.020
 LYN      plan-3    C         0.020
 LYN      plan-3    HNT1      0.020
 LYN      plan-3    HNT2      0.020
# ------------------------------------------------------
