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
HSL      HSL 'HOMOSERINE LACTONE                  ' non-polymer        14   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_HSL
#
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
 HSL           O      O    O        -0.500      0.000    0.000    0.000
 HSL           C      C    C         0.000     -1.246    0.104   -0.043
 HSL           OD     O    O2       -0.500     -2.031   -0.798   -0.409
 HSL           CG     C    CH2       0.000     -3.422   -0.602    0.089
 HSL           HG2    H    H         0.000     -3.589   -1.031    1.079
 HSL           HG3    H    H         0.000     -4.183   -0.975   -0.601
 HSL           CB     C    CH2       0.000     -3.511    0.939    0.171
 HSL           HB2    H    H         0.000     -4.086    1.288    1.032
 HSL           HB3    H    H         0.000     -3.910    1.393   -0.739
 HSL           CA     C    CH1       0.000     -2.029    1.341    0.343
 HSL           HA     H    H         0.000     -1.825    1.614    1.387
 HSL           N      N    NH2       0.000     -1.695    2.456   -0.553
 HSL           H2     H    H         0.000     -2.399    2.849   -1.167
 HSL           H      H    H         0.000     -0.757    2.841   -0.563
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
 HSL      O      n/a    C      START
 HSL      C      O      OD     .
 HSL      OD     C      CG     .
 HSL      CG     OD     CB     .
 HSL      HG2    CG     .      .
 HSL      HG3    CG     .      .
 HSL      CB     CG     CA     .
 HSL      HB2    CB     .      .
 HSL      HB3    CB     .      .
 HSL      CA     CB     N      .
 HSL      HA     CA     .      .
 HSL      N      CA     H      .
 HSL      H2     N      .      .
 HSL      H      N      .      END
 HSL      CA     C      .    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
 HSL      N      CA        single      1.450    0.020
 HSL      H      N         single      1.010    0.020
 HSL      H2     N         single      1.010    0.020
 HSL      CA     C         single      1.500    0.020
 HSL      CA     CB        single      1.524    0.020
 HSL      HA     CA        single      1.099    0.020
 HSL      C      O         deloc       1.220    0.020
 HSL      OD     C         deloc       1.454    0.020
 HSL      CB     CG        single      1.524    0.020
 HSL      HB2    CB        single      1.092    0.020
 HSL      HB3    CB        single      1.092    0.020
 HSL      CG     OD        single      1.426    0.020
 HSL      HG2    CG        single      1.092    0.020
 HSL      HG3    CG        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
 HSL      O      C      OD      119.000    3.000
 HSL      O      C      CA      120.500    3.000
 HSL      OD     C      CA      120.000    3.000
 HSL      C      OD     CG      120.000    3.000
 HSL      OD     CG     HG2     109.470    3.000
 HSL      OD     CG     HG3     109.470    3.000
 HSL      OD     CG     CB      109.470    3.000
 HSL      HG2    CG     HG3     107.900    3.000
 HSL      HG2    CG     CB      109.470    3.000
 HSL      HG3    CG     CB      109.470    3.000
 HSL      CG     CB     HB2     109.470    3.000
 HSL      CG     CB     HB3     109.470    3.000
 HSL      CG     CB     CA      111.000    3.000
 HSL      HB2    CB     HB3     107.900    3.000
 HSL      HB2    CB     CA      109.470    3.000
 HSL      HB3    CB     CA      109.470    3.000
 HSL      CB     CA     HA      108.340    3.000
 HSL      CB     CA     N       109.470    3.000
 HSL      CB     CA     C       109.470    3.000
 HSL      HA     CA     N       109.470    3.000
 HSL      HA     CA     C       108.810    3.000
 HSL      N      CA     C       109.470    3.000
 HSL      CA     N      H2      120.000    3.000
 HSL      CA     N      H       120.000    3.000
 HSL      H2     N      H       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
 HSL      var_1    O      C      OD     CG       150.000   20.000   1
 HSL      var_2    C      OD     CG     CB        30.000   20.000   1
 HSL      var_3    OD     CG     CB     CA       -30.000   20.000   3
 HSL      var_4    CG     CB     CA     N        120.000   20.000   3
 HSL      var_5    CB     CA     C      O        180.000   20.000   3
 HSL      var_6    CB     CA     N      H        179.978   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
 HSL      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
 HSL      plan-1    N         0.020
 HSL      plan-1    CA        0.020
 HSL      plan-1    H         0.020
 HSL      plan-1    H2        0.020
 HSL      plan-2    C         0.020
 HSL      plan-2    CA        0.020
 HSL      plan-2    O         0.020
 HSL      plan-2    OD        0.020
# ------------------------------------------------------
