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
FSG      FSG '[(1S)-1-FLUORO-2-(HYDROXYAMINO)-2-OX' non-polymer        15  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_FSG
#
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
 FSG           O2     O    O         0.000      0.000    0.000    0.000
 FSG           C2     C    C         0.000     -1.164    0.197    0.276
 FSG           N3     N    NH1       0.000     -1.627   -0.109    1.504
 FSG           HN3    H    H         0.000     -2.597    0.055    1.733
 FSG           O3     O    OH1       0.000     -0.754   -0.661    2.472
 FSG           HO3    H    H         0.000     -1.081   -0.884    3.359
 FSG           C1     C    CH1       0.000     -2.093    0.784   -0.755
 FSG           H1     H    H         0.000     -3.117    0.805   -0.355
 FSG           F      F    F         0.000     -1.686    2.087   -1.062
 FSG           P      P    P         0.000     -2.052   -0.237   -2.264
 FSG           O1P    O    O         0.000     -0.673   -0.266   -2.801
 FSG           O2P    O    OH1       0.000     -2.521   -1.736   -1.910
 FSG           HO2P   H    H         0.000     -3.403   -1.894   -1.546
 FSG           O3P    O    OH1       0.000     -3.044    0.391   -3.365
 FSG           HO3P   H    H         0.000     -3.139   -0.034   -4.228
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
 FSG      O2     n/a    C2     START
 FSG      C2     O2     C1     .
 FSG      N3     C2     O3     .
 FSG      HN3    N3     .      .
 FSG      O3     N3     HO3    .
 FSG      HO3    O3     .      .
 FSG      C1     C2     P      .
 FSG      H1     C1     .      .
 FSG      F      C1     .      .
 FSG      P      C1     O3P    .
 FSG      O1P    P      .      .
 FSG      O2P    P      HO2P   .
 FSG      HO2P   O2P    .      .
 FSG      O3P    P      HO3P   .
 FSG      HO3P   O3P    .      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
 FSG      O1P    P         double      1.480    0.020
 FSG      O3P    P         single      1.610    0.020
 FSG      O2P    P         single      1.610    0.020
 FSG      P      C1        single      1.815    0.020
 FSG      HO3P   O3P       single      0.967    0.020
 FSG      HO2P   O2P       single      0.967    0.020
 FSG      F      C1        single      1.370    0.020
 FSG      C1     C2        single      1.500    0.020
 FSG      H1     C1        single      1.099    0.020
 FSG      C2     O2        double      1.220    0.020
 FSG      N3     C2        single      1.330    0.020
 FSG      O3     N3        single      1.392    0.020
 FSG      HN3    N3        single      1.010    0.020
 FSG      HO3    O3        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
 FSG      O2     C2     N3      123.000    3.000
 FSG      O2     C2     C1      120.500    3.000
 FSG      N3     C2     C1      116.500    3.000
 FSG      C2     N3     HN3     120.000    3.000
 FSG      C2     N3     O3      120.000    3.000
 FSG      HN3    N3     O3      120.200    3.000
 FSG      N3     O3     HO3     120.000    3.000
 FSG      C2     C1     H1      108.810    3.000
 FSG      C2     C1     F       109.500    3.000
 FSG      C2     C1     P       109.500    3.000
 FSG      H1     C1     F       109.500    3.000
 FSG      H1     C1     P       109.500    3.000
 FSG      F      C1     P       109.500    3.000
 FSG      C1     P      O1P     109.500    3.000
 FSG      C1     P      O2P     109.500    3.000
 FSG      C1     P      O3P     109.500    3.000
 FSG      O1P    P      O2P     109.500    3.000
 FSG      O1P    P      O3P     109.500    3.000
 FSG      O2P    P      O3P     109.500    3.000
 FSG      P      O2P    HO2P    120.000    3.000
 FSG      P      O3P    HO3P    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
 FSG      CONST_1  O2     C2     N3     O3         0.000    0.000   0
 FSG      var_1    C2     N3     O3     HO3      179.987   20.000   1
 FSG      var_2    O2     C2     C1     P         55.004   20.000   3
 FSG      var_3    C2     C1     P      O3P     -179.975   20.000   1
 FSG      var_4    C1     P      O2P    HO2P      60.023   20.000   1
 FSG      var_5    C1     P      O3P    HO3P     179.996   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
 FSG      chir_01  C1     P      F      C2        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
 FSG      plan-1    C2        0.020
 FSG      plan-1    C1        0.020
 FSG      plan-1    O2        0.020
 FSG      plan-1    N3        0.020
 FSG      plan-1    HN3       0.020
 FSG      plan-2    N3        0.020
 FSG      plan-2    C2        0.020
 FSG      plan-2    O3        0.020
 FSG      plan-2    HN3       0.020
# ------------------------------------------------------
