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
LIS      LIS '(2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC A' non-polymer        17   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LIS
#
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
 LIS           OXT    O    OC       -0.500      0.000    0.000    0.000
 LIS           C      C    C         0.000     -1.105    0.511    0.289
 LIS           O      O    OC       -0.500     -1.365    0.804    1.477
 LIS           CA     C    CH1       0.000     -2.122    0.772   -0.792
 LIS           HA     H    H         0.000     -2.734    1.641   -0.516
 LIS           N      N    NH2       0.000     -1.430    1.042   -2.059
 LIS           HN2    H    H         0.000     -1.560    1.928   -2.534
 LIS           HN1    H    H         0.000     -0.817    0.345   -2.466
 LIS           CB     C    CH2       0.000     -3.020   -0.454   -0.953
 LIS           HBC1   H    H         0.000     -3.533   -0.655   -0.010
 LIS           HBC2   H    H         0.000     -2.410   -1.318   -1.226
 LIS           CG     C    CH1       0.000     -4.052   -0.189   -2.051
 LIS           HG     H    H         0.000     -3.726    0.429   -2.899
 LIS           OD1    O    O2        0.000     -5.423   -0.081   -1.664
 LIS           CD     C    CH2       0.000     -5.074   -1.287   -2.349
 LIS           HDC2   H    H         0.000     -5.141   -1.440   -3.428
 LIS           HDC1   H    H         0.000     -4.763   -2.217   -1.869
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
 LIS      OXT    n/a    C      START
 LIS      C      OXT    CA     .
 LIS      O      C      .      .
 LIS      CA     C      CB     .
 LIS      HA     CA     .      .
 LIS      N      CA     HN1    .
 LIS      HN2    N      .      .
 LIS      HN1    N      .      .
 LIS      CB     CA     CG     .
 LIS      HBC1   CB     .      .
 LIS      HBC2   CB     .      .
 LIS      CG     CB     OD1    .
 LIS      HG     CG     .      .
 LIS      OD1    CG     CD     .
 LIS      CD     OD1    HDC1   .
 LIS      HDC2   CD     .      .
 LIS      HDC1   CD     .      END
 LIS      CG     CD     .    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
 LIS      N      CA        single      1.450    0.020
 LIS      HN1    N         single      1.010    0.020
 LIS      HN2    N         single      1.010    0.020
 LIS      CB     CA        single      1.524    0.020
 LIS      CA     C         single      1.500    0.020
 LIS      HA     CA        single      1.099    0.020
 LIS      CG     CB        single      1.524    0.020
 LIS      HBC1   CB        single      1.092    0.020
 LIS      HBC2   CB        single      1.092    0.020
 LIS      CG     CD        single      1.524    0.020
 LIS      OD1    CG        single      1.426    0.020
 LIS      HG     CG        single      1.099    0.020
 LIS      O      C         deloc       1.250    0.020
 LIS      C      OXT       deloc       1.250    0.020
 LIS      CD     OD1       single      1.426    0.020
 LIS      HDC1   CD        single      1.092    0.020
 LIS      HDC2   CD        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
 LIS      OXT    C      O       123.000    3.000
 LIS      OXT    C      CA      118.500    3.000
 LIS      O      C      CA      118.500    3.000
 LIS      C      CA     HA      108.810    3.000
 LIS      C      CA     N       109.470    3.000
 LIS      C      CA     CB      109.470    3.000
 LIS      HA     CA     N       109.470    3.000
 LIS      HA     CA     CB      108.340    3.000
 LIS      N      CA     CB      109.470    3.000
 LIS      CA     N      HN2     120.000    3.000
 LIS      CA     N      HN1     120.000    3.000
 LIS      HN2    N      HN1     120.000    3.000
 LIS      CA     CB     HBC1    109.470    3.000
 LIS      CA     CB     HBC2    109.470    3.000
 LIS      CA     CB     CG      111.000    3.000
 LIS      HBC1   CB     HBC2    107.900    3.000
 LIS      HBC1   CB     CG      109.470    3.000
 LIS      HBC2   CB     CG      109.470    3.000
 LIS      CB     CG     HG      108.340    3.000
 LIS      CB     CG     OD1     109.470    3.000
 LIS      CB     CG     CD      109.470    3.000
 LIS      HG     CG     OD1     109.470    3.000
 LIS      HG     CG     CD      108.340    3.000
 LIS      OD1    CG     CD       57.699    3.000
 LIS      CG     OD1    CD       64.601    3.000
 LIS      OD1    CD     HDC2    109.470    3.000
 LIS      OD1    CD     HDC1    109.470    3.000
 LIS      OD1    CD     CG       57.699    3.000
 LIS      HDC2   CD     HDC1    107.900    3.000
 LIS      HDC2   CD     CG      109.470    3.000
 LIS      HDC1   CD     CG      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
 LIS      var_1    OXT    C      CA     CB        89.962   20.000   3
 LIS      var_2    C      CA     N      HN1       60.046   20.000   1
 LIS      var_3    C      CA     CB     CG      -179.974   20.000   3
 LIS      var_4    CA     CB     CG     OD1     -112.512   20.000   3
 LIS      var_5    CB     CG     CD     OD1      106.858   20.000   3
 LIS      var_6    CB     CG     OD1    CD      -106.935   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
 LIS      chir_01  CA     N      CB     C         negativ
 LIS      chir_02  CG     CB     CD     OD1       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
 LIS      plan-1    N         0.020
 LIS      plan-1    CA        0.020
 LIS      plan-1    HN1       0.020
 LIS      plan-1    HN2       0.020
 LIS      plan-2    C         0.020
 LIS      plan-2    CA        0.020
 LIS      plan-2    O         0.020
 LIS      plan-2    OXT       0.020
# ------------------------------------------------------
