# Created using JLigand 1.0.25
# and
# dictionary  5.32    ( 28/10/2011 )
# libcheck    5.1.14  ( 01/10/2010 )
# refmac      5.6.119 ( 09/07/2011 )
#
# Authors: Andrey Lebedev, Paul Young, Alexei Vagin, Garib Murshudov
# E-mail: andrey.lebedev@stfc.ac.uk
#

global_
_lib_name         mon_lib
_lib_version      5.32
_lib_update       28/10/2011

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
FGA      FGA '.                                   ' .                  19  10 .

data_comp_FGA

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
 FGA           OE1    O    O         0.000      0.453   -2.390    1.403
 FGA           CD     C    C         0.000      1.091   -2.134    0.392
 FGA           OE2    O    OH1       0.000      1.951   -3.039   -0.074
 FGA           HE2    H    H         0.000      1.950   -3.824    0.491
 FGA           CG     C    CH2       0.000      0.921   -0.818   -0.333
 FGA           HG2    H    H         0.000      1.887   -0.316   -0.409
 FGA           HG3    H    H         0.000      0.564   -1.013   -1.347
 FGA           CB     C    CH2       0.000     -0.070    0.090    0.392
 FGA           HB2    H    H         0.000     -1.048   -0.396    0.407
 FGA           HB3    H    H         0.000      0.253    0.233    1.426
 FGA           CA     C    CH1       0.000     -0.185    1.452   -0.292
 FGA           HA     H    H         0.000      0.830    1.821   -0.494
 FGA           N      N    NH2       0.000     -0.899    1.303   -1.549
 FGA           H2     H    H         0.000     -0.491    0.768   -2.302
 FGA           H      H    H         0.000     -1.806    1.730   -1.673
 FGA           C      C    C         0.000     -0.900    2.463    0.569
 FGA           O      O    O         0.000     -0.758    3.652    0.333
 FGA           OXT    O    OH1       0.000     -1.685    2.123    1.593
 FGA           HXT    H    H         0.000     -2.059    1.242    1.467

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
 FGA      OE1    CD        double      1.220    0.020
 FGA      CD     OE2       single      1.330    0.020
 FGA      CD     CG        single      1.510    0.020
 FGA      OE2    HE2       single      0.967    0.020
 FGA      CG     HG2       single      1.092    0.020
 FGA      CG     HG3       single      1.092    0.020
 FGA      CG     CB        single      1.524    0.020
 FGA      CB     HB2       single      1.092    0.020
 FGA      CB     HB3       single      1.092    0.020
 FGA      CB     CA        single      1.524    0.020
 FGA      CA     HA        single      1.099    0.020
 FGA      CA     N         single      1.450    0.020
 FGA      CA     C         single      1.500    0.020
 FGA      N      H2        single      1.010    0.020
 FGA      N      H         single      1.010    0.020
 FGA      C      O         double      1.220    0.020
 FGA      C      OXT       single      1.330    0.020
 FGA      OXT    HXT       single      0.967    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
 FGA      OE1    CD     OE2     119.000    3.000
 FGA      OE1    CD     CG      120.500    3.000
 FGA      CD     OE2    HE2     109.470    3.000
 FGA      CD     CG     HG2     109.470    3.000
 FGA      CD     CG     HG3     109.470    3.000
 FGA      CD     CG     CB      109.470    3.000
 FGA      OE2    CD     CG      120.500    3.000
 FGA      CG     CB     HB2     109.470    3.000
 FGA      CG     CB     HB3     109.470    3.000
 FGA      CG     CB     CA      111.000    3.000
 FGA      HG2    CG     HG3     107.900    3.000
 FGA      HG2    CG     CB      109.470    3.000
 FGA      HG3    CG     CB      109.470    3.000
 FGA      CB     CA     HA      108.340    3.000
 FGA      CB     CA     N       109.470    3.000
 FGA      CB     CA     C       109.470    3.000
 FGA      HB2    CB     HB3     107.900    3.000
 FGA      HB2    CB     CA      109.470    3.000
 FGA      HB3    CB     CA      109.470    3.000
 FGA      CA     N      H2      120.000    3.000
 FGA      CA     N      H       120.000    3.000
 FGA      CA     C      O       120.500    3.000
 FGA      CA     C      OXT     120.000    3.000
 FGA      HA     CA     N       109.470    3.000
 FGA      HA     CA     C       108.810    3.000
 FGA      N      CA     C       109.470    3.000
 FGA      H2     N      H       120.000    3.000
 FGA      C      OXT    HXT     109.470    3.000
 FGA      O      C      OXT     119.000    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
 FGA      var_5    CD     CG     CB     CA       180.000   20.000   3
 FGA      var_6    OE2    CD     CG     CB       180.000   20.000   3
 FGA      var_7    HE2    OE2    CD     CG       180.000   20.000   3
 FGA      var_4    CG     CB     CA     C        180.000   20.000   3
 FGA      var_2    CB     CA     C      O        180.000   20.000   3
 FGA      var_3    H2     N      CA     C        180.000   20.000   3
 FGA      var_1    O      C      OXT    HXT      180.000   20.000   3

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
 FGA      chir_01  CA     CB     N      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
 FGA      plan-1    OE1       0.020
 FGA      plan-1    CD        0.020
 FGA      plan-1    OE2       0.020
 FGA      plan-1    CG        0.020
 FGA      plan-2    CA        0.020
 FGA      plan-2    N         0.020
 FGA      plan-2    H2        0.020
 FGA      plan-2    H         0.020
 FGA      plan-3    CA        0.020
 FGA      plan-3    C         0.020
 FGA      plan-3    O         0.020
 FGA      plan-3    OXT       0.020

