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
GBL      GBL 'GAMMA-BUTYROLACTONE                 ' non-polymer        12   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GBL
#
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
 GBL           O      O    O        -0.500      0.000    0.000    0.000
 GBL           C      C    C         0.000     -1.251    0.027   -0.009
 GBL           OD     O    O2       -0.500     -1.991   -0.976   -0.115
 GBL           CG     C    CH2       0.000     -3.376   -0.736    0.391
 GBL           HGC1   H    H         0.000     -3.480   -0.916    1.463
 GBL           HGC2   H    H         0.000     -4.136   -1.304   -0.148
 GBL           CB     C    CH2       0.000     -3.554    0.772    0.101
 GBL           HBC1   H    H         0.000     -4.120    1.291    0.877
 GBL           HBC2   H    H         0.000     -4.009    0.968   -0.872
 GBL           CA     C    CH2       0.000     -2.095    1.278    0.101
 GBL           HAC2   H    H         0.000     -1.850    1.805    1.025
 GBL           HAC1   H    H         0.000     -1.894    1.930   -0.752
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
 GBL      O      n/a    C      START
 GBL      C      O      OD     .
 GBL      OD     C      CG     .
 GBL      CG     OD     CB     .
 GBL      HGC1   CG     .      .
 GBL      HGC2   CG     .      .
 GBL      CB     CG     CA     .
 GBL      HBC1   CB     .      .
 GBL      HBC2   CB     .      .
 GBL      CA     CB     HAC1   .
 GBL      HAC2   CA     .      .
 GBL      HAC1   CA     .      END
 GBL      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
 GBL      CA     C         single      1.510    0.020
 GBL      CA     CB        single      1.524    0.020
 GBL      HAC1   CA        single      1.092    0.020
 GBL      HAC2   CA        single      1.092    0.020
 GBL      C      O         deloc       1.220    0.020
 GBL      OD     C         deloc       1.454    0.020
 GBL      CB     CG        single      1.524    0.020
 GBL      HBC1   CB        single      1.092    0.020
 GBL      HBC2   CB        single      1.092    0.020
 GBL      CG     OD        single      1.426    0.020
 GBL      HGC1   CG        single      1.092    0.020
 GBL      HGC2   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
 GBL      O      C      OD      119.000    3.000
 GBL      O      C      CA      120.500    3.000
 GBL      OD     C      CA      120.000    3.000
 GBL      C      OD     CG      120.000    3.000
 GBL      OD     CG     HGC1    109.470    3.000
 GBL      OD     CG     HGC2    109.470    3.000
 GBL      OD     CG     CB      109.470    3.000
 GBL      HGC1   CG     HGC2    107.900    3.000
 GBL      HGC1   CG     CB      109.470    3.000
 GBL      HGC2   CG     CB      109.470    3.000
 GBL      CG     CB     HBC1    109.470    3.000
 GBL      CG     CB     HBC2    109.470    3.000
 GBL      CG     CB     CA      111.000    3.000
 GBL      HBC1   CB     HBC2    107.900    3.000
 GBL      HBC1   CB     CA      109.470    3.000
 GBL      HBC2   CB     CA      109.470    3.000
 GBL      CB     CA     HAC2    109.470    3.000
 GBL      CB     CA     HAC1    109.470    3.000
 GBL      CB     CA     C       109.470    3.000
 GBL      HAC2   CA     HAC1    107.900    3.000
 GBL      HAC2   CA     C       109.470    3.000
 GBL      HAC1   CA     C       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
 GBL      var_1    O      C      OD     CG       150.000   20.000   1
 GBL      var_2    C      OD     CG     CB        30.000   20.000   1
 GBL      var_3    OD     CG     CB     CA       -30.000   20.000   3
 GBL      var_4    CG     CB     CA     C         30.000   20.000   3
 GBL      var_5    CB     CA     C      O        180.000   20.000   3
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
 GBL      plan-1    C         0.020
 GBL      plan-1    CA        0.000
 GBL      plan-1    O         0.000
 GBL      plan-1    OD        0.000
# ------------------------------------------------------
