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
FCN      FCN 'FOSFOMYCIN                          ' non-polymer        15   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_FCN
#
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
 FCN           O1P    O    O         0.000      0.000    0.000    0.000
 FCN           P      P    P         0.000     -1.126    0.923   -0.261
 FCN           O2P    O    OH1       0.000     -1.455    0.935   -1.837
 FCN           HOP2   H    H         0.000     -0.777    1.208   -2.470
 FCN           O3P    O    OH1       0.000     -0.724    2.408    0.213
 FCN           HOP3   H    H         0.000     -1.353    3.135    0.112
 FCN           C1     C    CH1       0.000     -2.594    0.366    0.663
 FCN           H1     H    H         0.000     -3.574    0.675    0.271
 FCN           O      O    O2        0.000     -2.530   -0.906    1.312
 FCN           C2     C    CH1       0.000     -2.471    0.226    2.181
 FCN           H2     H    H         0.000     -3.371    0.443    2.774
 FCN           C3     C    CH3       0.000     -1.125    0.565    2.821
 FCN           H33    H    H         0.000     -0.370   -0.052    2.406
 FCN           H32    H    H         0.000     -0.891    1.581    2.636
 FCN           H31    H    H         0.000     -1.178    0.400    3.866
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
 FCN      O1P    n/a    P      START
 FCN      P      O1P    C1     .
 FCN      O2P    P      HOP2   .
 FCN      HOP2   O2P    .      .
 FCN      O3P    P      HOP3   .
 FCN      HOP3   O3P    .      .
 FCN      C1     P      O      .
 FCN      H1     C1     .      .
 FCN      O      C1     C2     .
 FCN      C2     O      C3     .
 FCN      H2     C2     .      .
 FCN      C3     C2     H31    .
 FCN      H33    C3     .      .
 FCN      H32    C3     .      .
 FCN      H31    C3     .      END
 FCN      C1     C2     .    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
 FCN      C1     C2        single      1.524    0.020
 FCN      O      C1        single      1.426    0.020
 FCN      C1     P         single      1.815    0.020
 FCN      H1     C1        single      1.099    0.020
 FCN      C3     C2        single      1.524    0.020
 FCN      C2     O         single      1.426    0.020
 FCN      H2     C2        single      1.099    0.020
 FCN      H31    C3        single      1.059    0.020
 FCN      H32    C3        single      1.059    0.020
 FCN      H33    C3        single      1.059    0.020
 FCN      P      O1P       double      1.480    0.020
 FCN      O2P    P         single      1.610    0.020
 FCN      O3P    P         single      1.610    0.020
 FCN      HOP2   O2P       single      0.967    0.020
 FCN      HOP3   O3P       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
 FCN      O1P    P      O2P     109.500    3.000
 FCN      O1P    P      O3P     109.500    3.000
 FCN      O1P    P      C1      109.500    3.000
 FCN      O2P    P      O3P     109.500    3.000
 FCN      O2P    P      C1      109.500    3.000
 FCN      O3P    P      C1      109.500    3.000
 FCN      P      O2P    HOP2    120.000    3.000
 FCN      P      O3P    HOP3    120.000    3.000
 FCN      P      C1     H1      109.500    3.000
 FCN      P      C1     O       109.500    3.000
 FCN      P      C1     C2      109.500    3.000
 FCN      H1     C1     O       109.470    3.000
 FCN      H1     C1     C2      108.340    3.000
 FCN      O      C1     C2       57.699    3.000
 FCN      C1     O      C2       64.601    3.000
 FCN      O      C2     H2      109.470    3.000
 FCN      O      C2     C3      109.470    3.000
 FCN      O      C2     C1       57.699    3.000
 FCN      H2     C2     C3      108.340    3.000
 FCN      H2     C2     C1      108.340    3.000
 FCN      C3     C2     C1      111.000    3.000
 FCN      C2     C3     H33     109.470    3.000
 FCN      C2     C3     H32     109.470    3.000
 FCN      C2     C3     H31     109.470    3.000
 FCN      H33    C3     H32     109.470    3.000
 FCN      H33    C3     H31     109.470    3.000
 FCN      H32    C3     H31     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
 FCN      var_1    O1P    P      O2P    HOP2     -60.025   20.000   1
 FCN      var_2    O1P    P      O3P    HOP3    -179.969   20.000   1
 FCN      var_3    O1P    P      C1     O         -8.586   20.000   1
 FCN      var_4    P      C1     C2     O       -106.810   20.000   3
 FCN      var_5    P      C1     O      C2       106.877   20.000   1
 FCN      var_6    C1     O      C2     C3      -106.832   20.000   1
 FCN      var_7    O      C2     C3     H31     -112.561   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
 FCN      chir_01  C1     C2     O      P         positiv
 FCN      chir_02  C2     C1     C3     O         positiv
# ------------------------------------------------------
