File: CSF.cif

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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
CSF      CSF '.                                   ' non-polymer        70  42 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CSF
#
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
 CSF           F3A    F    F         0.000      0.000    0.000    0.000
 CSF           C3A    C    CH1       0.000     -1.245   -0.617    0.164
 CSF           H3A    H    H         0.000     -1.407   -0.841    1.228
 CSF           C4A    C    CH1       0.000     -1.283   -1.917   -0.645
 CSF           H4A    H    H         0.000     -2.218   -2.456   -0.433
 CSF           O4A    O    OH1       0.000     -0.167   -2.738   -0.294
 CSF           H4     H    H         0.000     -0.212   -2.956    0.646
 CSF           C2A    C    CT        0.000     -2.351    0.314   -0.337
 CSF           C1A    C    C         0.000     -2.343    1.584    0.476
 CSF           OAA    O    OC       -0.500     -2.155    2.685   -0.087
 CSF           OBA    O    OC       -0.500     -2.524    1.536    1.713
 CSF           O6A    O    O2        0.000     -2.132    0.629   -1.710
 CSF           C6A    C    CH1       0.000     -2.323   -0.564   -2.465
 CSF           H6A    H    H         0.000     -3.300   -1.002   -2.212
 CSF           C7A    C    CH1       0.000     -2.286   -0.235   -3.958
 CSF           H7A    H    H         0.000     -3.078    0.490   -4.194
 CSF           O7A    O    OH1       0.000     -2.493   -1.428   -4.715
 CSF           H1     H    H         0.000     -1.694   -1.973   -4.680
 CSF           C8A    C    CH1       0.000     -0.923    0.364   -4.314
 CSF           H8A    H    H         0.000     -0.126   -0.321   -3.993
 CSF           O8A    O    OH1       0.000     -0.768    1.620   -3.649
 CSF           H2     H    H         0.000     -1.469    2.222   -3.932
 CSF           C9A    C    CH2       0.000     -0.838    0.574   -5.827
 CSF           H9A1   H    H         0.000     -1.630    1.255   -6.144
 CSF           H9A2   H    H         0.000     -0.959   -0.385   -6.334
 CSF           O9A    O    OH1       0.000      0.435    1.134   -6.159
 CSF           H9A    H    H         0.000      0.489    1.266   -7.115
 CSF           C5A    C    CH1       0.000     -1.218   -1.569   -2.137
 CSF           H5A    H    H         0.000     -0.239   -1.127   -2.368
 CSF           N5A    N    NH1       0.000     -1.407   -2.785   -2.932
 CSF           H3     H    H         0.000     -2.336   -3.067   -3.209
 CSF           C10    C    C         0.000     -0.341   -3.526   -3.294
 CSF           C11    C    CH3       0.000     -0.535   -4.776   -4.112
 CSF           H113   H    H         0.000     -1.151   -5.456   -3.581
 CSF           H112   H    H         0.000     -0.997   -4.529   -5.033
 CSF           H111   H    H         0.000      0.405   -5.227   -4.300
 CSF           O10    O    O         0.000      0.775   -3.187   -2.961
 CSF           O1A    O    O2        0.000     -3.618   -0.330   -0.194
 CSF           PA     P    P         0.000     -4.730    0.703   -0.728
 CSF           O2A    O    OP       -0.500     -4.363    1.165   -2.088
 CSF           O3A    O    OP       -0.500     -4.801    1.868    0.187
 CSF           "O5'"  O    O2        0.000     -6.162   -0.029   -0.777
 CSF           "C5'"  C    CH2       0.000     -7.102    0.935   -1.257
 CSF           "H5'"  H    H         0.000     -6.802    1.271   -2.252
 CSF           "H5''" H    H         0.000     -7.125    1.790   -0.577
 CSF           "C4'"  C    CH1       0.000     -8.492    0.301   -1.328
 CSF           "H4'"  H    H         0.000     -8.472   -0.568   -2.002
 CSF           "C3'"  C    CH1       0.000     -9.515    1.335   -1.837
 CSF           "H3'"  H    H         0.000     -9.033    2.311   -1.986
 CSF           "O3'"  O    OH1       0.000    -10.127    0.890   -3.048
 CSF           "HO3'" H    H         0.000    -10.806    1.523   -3.316
 CSF           "O4'"  O    O2        0.000     -8.911   -0.108   -0.015
 CSF           "C1'"  C    CH1       0.000    -10.341    0.079    0.049
 CSF           "H1'"  H    H         0.000    -10.861   -0.742   -0.465
 CSF           "C2'"  C    CH1       0.000    -10.565    1.418   -0.697
 CSF           "H2'"  H    H         0.000    -10.360    2.273   -0.038
 CSF           "O2'"  O    OH1       0.000    -11.888    1.491   -1.228
 CSF           H8     H    H         0.000    -12.004    2.334   -1.688
 CSF           N1     N    NR6       0.000    -10.787    0.179    1.441
 CSF           C6     C    CR16      0.000    -11.704   -0.705    1.924
 CSF           H6     H    H         0.000    -12.105   -1.482    1.284
 CSF           C5     C    CR16      0.000    -12.108   -0.603    3.211
 CSF           H7     H    H         0.000    -12.837   -1.294    3.616
 CSF           C4     C    CR6       0.000    -11.566    0.419    4.018
 CSF           N4     N    NH2       0.000    -11.959    0.546    5.330
 CSF           H42    H    H         0.000    -12.641   -0.092    5.724
 CSF           H41    H    H         0.000    -11.571    1.279    5.913
 CSF           N3     N    NRD6      0.000    -10.675    1.256    3.504
 CSF           C2     C    CR6       0.000    -10.283    1.138    2.236
 CSF           O2     O    O         0.000     -9.463    1.921    1.787
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
 CSF      F3A    n/a    C3A    START
 CSF      C3A    F3A    C2A    .
 CSF      H3A    C3A    .      .
 CSF      C4A    C3A    O4A    .
 CSF      H4A    C4A    .      .
 CSF      O4A    C4A    H4     .
 CSF      H4     O4A    .      .
 CSF      C2A    C3A    O1A    .
 CSF      C1A    C2A    OBA    .
 CSF      OAA    C1A    .      .
 CSF      OBA    C1A    .      .
 CSF      O6A    C2A    C6A    .
 CSF      C6A    O6A    C5A    .
 CSF      H6A    C6A    .      .
 CSF      C7A    C6A    C8A    .
 CSF      H7A    C7A    .      .
 CSF      O7A    C7A    H1     .
 CSF      H1     O7A    .      .
 CSF      C8A    C7A    C9A    .
 CSF      H8A    C8A    .      .
 CSF      O8A    C8A    H2     .
 CSF      H2     O8A    .      .
 CSF      C9A    C8A    O9A    .
 CSF      H9A1   C9A    .      .
 CSF      H9A2   C9A    .      .
 CSF      O9A    C9A    H9A    .
 CSF      H9A    O9A    .      .
 CSF      C5A    C6A    N5A    .
 CSF      H5A    C5A    .      .
 CSF      N5A    C5A    C10    .
 CSF      H3     N5A    .      .
 CSF      C10    N5A    O10    .
 CSF      C11    C10    H111   .
 CSF      H113   C11    .      .
 CSF      H112   C11    .      .
 CSF      H111   C11    .      .
 CSF      O10    C10    .      .
 CSF      O1A    C2A    PA     .
 CSF      PA     O1A    "O5'"  .
 CSF      O2A    PA     .      .
 CSF      O3A    PA     .      .
 CSF      "O5'"  PA     "C5'"  .
 CSF      "C5'"  "O5'"  "C4'"  .
 CSF      "H5'"  "C5'"  .      .
 CSF      "H5''" "C5'"  .      .
 CSF      "C4'"  "C5'"  "O4'"  .
 CSF      "H4'"  "C4'"  .      .
 CSF      "C3'"  "C4'"  "O3'"  .
 CSF      "H3'"  "C3'"  .      .
 CSF      "O3'"  "C3'"  "HO3'" .
 CSF      "HO3'" "O3'"  .      .
 CSF      "O4'"  "C4'"  "C1'"  .
 CSF      "C1'"  "O4'"  N1     .
 CSF      "H1'"  "C1'"  .      .
 CSF      "C2'"  "C1'"  "O2'"  .
 CSF      "H2'"  "C2'"  .      .
 CSF      "O2'"  "C2'"  H8     .
 CSF      H8     "O2'"  .      .
 CSF      N1     "C1'"  C6     .
 CSF      C6     N1     C5     .
 CSF      H6     C6     .      .
 CSF      C5     C6     C4     .
 CSF      H7     C5     .      .
 CSF      C4     C5     N3     .
 CSF      N4     C4     H41    .
 CSF      H42    N4     .      .
 CSF      H41    N4     .      .
 CSF      N3     C4     C2     .
 CSF      C2     N3     O2     .
 CSF      O2     C2     .      END
 CSF      C5A    C4A    .    ADD
 CSF      N1     C2     .    ADD
 CSF      "C3'"  "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
 CSF      C5A    C4A       single      1.524    0.020
 CSF      C5A    C6A       single      1.524    0.020
 CSF      N5A    C5A       single      1.450    0.020
 CSF      H5A    C5A       single      1.099    0.020
 CSF      C4A    C3A       single      1.524    0.020
 CSF      O4A    C4A       single      1.432    0.020
 CSF      H4A    C4A       single      1.099    0.020
 CSF      O6A    C2A       single      1.426    0.020
 CSF      C2A    C3A       single      1.524    0.020
 CSF      C1A    C2A       single      1.507    0.020
 CSF      O1A    C2A       single      1.426    0.020
 CSF      C6A    O6A       single      1.426    0.020
 CSF      C7A    C6A       single      1.524    0.020
 CSF      H6A    C6A       single      1.099    0.020
 CSF      C3A    F3A       single      1.370    0.020
 CSF      H3A    C3A       single      1.099    0.020
 CSF      H4     O4A       single      0.967    0.020
 CSF      C10    N5A       single      1.330    0.020
 CSF      H3     N5A       single      1.010    0.020
 CSF      C8A    C7A       single      1.524    0.020
 CSF      O7A    C7A       single      1.432    0.020
 CSF      H7A    C7A       single      1.099    0.020
 CSF      C9A    C8A       single      1.524    0.020
 CSF      O8A    C8A       single      1.432    0.020
 CSF      H8A    C8A       single      1.099    0.020
 CSF      O9A    C9A       single      1.432    0.020
 CSF      H9A1   C9A       single      1.092    0.020
 CSF      H9A2   C9A       single      1.092    0.020
 CSF      H9A    O9A       single      0.967    0.020
 CSF      H2     O8A       single      0.967    0.020
 CSF      H1     O7A       single      0.967    0.020
 CSF      OBA    C1A       deloc       1.250    0.020
 CSF      OAA    C1A       deloc       1.250    0.020
 CSF      PA     O1A       single      1.610    0.020
 CSF      O2A    PA        deloc       1.510    0.020
 CSF      N1     C2        single      1.410    0.020
 CSF      C6     N1        single      1.337    0.020
 CSF      N1     "C1'"     single      1.465    0.020
 CSF      C2     N3        single      1.350    0.020
 CSF      O2     C2        double      1.250    0.020
 CSF      N3     C4        double      1.350    0.020
 CSF      C4     C5        single      1.390    0.020
 CSF      N4     C4        single      1.355    0.020
 CSF      C5     C6        double      1.390    0.020
 CSF      H7     C5        single      1.083    0.020
 CSF      H6     C6        single      1.083    0.020
 CSF      "C3'"  "C2'"     single      1.524    0.020
 CSF      "C3'"  "C4'"     single      1.524    0.020
 CSF      "O3'"  "C3'"     single      1.432    0.020
 CSF      "H3'"  "C3'"     single      1.099    0.020
 CSF      "C2'"  "C1'"     single      1.524    0.020
 CSF      "O2'"  "C2'"     single      1.432    0.020
 CSF      "H2'"  "C2'"     single      1.099    0.020
 CSF      "C1'"  "O4'"     single      1.426    0.020
 CSF      "H1'"  "C1'"     single      1.099    0.020
 CSF      "O4'"  "C4'"     single      1.426    0.020
 CSF      "C4'"  "C5'"     single      1.524    0.020
 CSF      "H4'"  "C4'"     single      1.099    0.020
 CSF      "O5'"  PA        single      1.610    0.020
 CSF      O3A    PA        deloc       1.510    0.020
 CSF      "C5'"  "O5'"     single      1.426    0.020
 CSF      "H5'"  "C5'"     single      1.092    0.020
 CSF      "H5''" "C5'"     single      1.092    0.020
 CSF      "HO3'" "O3'"     single      0.967    0.020
 CSF      H8     "O2'"     single      0.967    0.020
 CSF      H41    N4        single      1.010    0.020
 CSF      H42    N4        single      1.010    0.020
 CSF      O10    C10       double      1.220    0.020
 CSF      C11    C10       single      1.500    0.020
 CSF      H111   C11       single      1.059    0.020
 CSF      H112   C11       single      1.059    0.020
 CSF      H113   C11       single      1.059    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
 CSF      F3A    C3A    H3A     109.500    3.000
 CSF      F3A    C3A    C4A     109.500    3.000
 CSF      F3A    C3A    C2A     109.500    3.000
 CSF      H3A    C3A    C4A     108.340    3.000
 CSF      H3A    C3A    C2A     108.340    3.000
 CSF      C4A    C3A    C2A     111.000    3.000
 CSF      C3A    C4A    H4A     108.340    3.000
 CSF      C3A    C4A    O4A     109.470    3.000
 CSF      C3A    C4A    C5A     111.000    3.000
 CSF      H4A    C4A    O4A     109.470    3.000
 CSF      H4A    C4A    C5A     108.340    3.000
 CSF      O4A    C4A    C5A     109.470    3.000
 CSF      C4A    O4A    H4      109.470    3.000
 CSF      C3A    C2A    C1A     109.470    3.000
 CSF      C3A    C2A    O6A     109.470    3.000
 CSF      C3A    C2A    O1A     109.470    3.000
 CSF      C1A    C2A    O6A     109.470    3.000
 CSF      C1A    C2A    O1A     109.470    3.000
 CSF      O6A    C2A    O1A     109.500    3.000
 CSF      C2A    C1A    OAA     118.500    3.000
 CSF      C2A    C1A    OBA     118.500    3.000
 CSF      OAA    C1A    OBA     123.000    3.000
 CSF      C2A    O6A    C6A     111.800    3.000
 CSF      O6A    C6A    H6A     109.470    3.000
 CSF      O6A    C6A    C7A     109.470    3.000
 CSF      O6A    C6A    C5A     109.470    3.000
 CSF      H6A    C6A    C7A     108.340    3.000
 CSF      H6A    C6A    C5A     108.340    3.000
 CSF      C7A    C6A    C5A     111.000    3.000
 CSF      C6A    C7A    H7A     108.340    3.000
 CSF      C6A    C7A    O7A     109.470    3.000
 CSF      C6A    C7A    C8A     111.000    3.000
 CSF      H7A    C7A    O7A     109.470    3.000
 CSF      H7A    C7A    C8A     108.340    3.000
 CSF      O7A    C7A    C8A     109.470    3.000
 CSF      C7A    O7A    H1      109.470    3.000
 CSF      C7A    C8A    H8A     108.340    3.000
 CSF      C7A    C8A    O8A     109.470    3.000
 CSF      C7A    C8A    C9A     111.000    3.000
 CSF      H8A    C8A    O8A     109.470    3.000
 CSF      H8A    C8A    C9A     108.340    3.000
 CSF      O8A    C8A    C9A     109.470    3.000
 CSF      C8A    O8A    H2      109.470    3.000
 CSF      C8A    C9A    H9A1    109.470    3.000
 CSF      C8A    C9A    H9A2    109.470    3.000
 CSF      C8A    C9A    O9A     109.470    3.000
 CSF      H9A1   C9A    H9A2    107.900    3.000
 CSF      H9A1   C9A    O9A     109.470    3.000
 CSF      H9A2   C9A    O9A     109.470    3.000
 CSF      C9A    O9A    H9A     109.470    3.000
 CSF      C6A    C5A    H5A     108.340    3.000
 CSF      C6A    C5A    N5A     110.000    3.000
 CSF      C6A    C5A    C4A     111.000    3.000
 CSF      H5A    C5A    N5A     108.550    3.000
 CSF      H5A    C5A    C4A     108.340    3.000
 CSF      N5A    C5A    C4A     110.000    3.000
 CSF      C5A    N5A    H3      118.500    3.000
 CSF      C5A    N5A    C10     121.500    3.000
 CSF      H3     N5A    C10     120.000    3.000
 CSF      N5A    C10    C11     116.500    3.000
 CSF      N5A    C10    O10     123.000    3.000
 CSF      C11    C10    O10     123.000    3.000
 CSF      C10    C11    H113    109.470    3.000
 CSF      C10    C11    H112    109.470    3.000
 CSF      C10    C11    H111    109.470    3.000
 CSF      H113   C11    H112    109.470    3.000
 CSF      H113   C11    H111    109.470    3.000
 CSF      H112   C11    H111    109.470    3.000
 CSF      C2A    O1A    PA      120.000    3.000
 CSF      O1A    PA     O2A     108.200    3.000
 CSF      O1A    PA     O3A     108.200    3.000
 CSF      O1A    PA     "O5'"   102.600    3.000
 CSF      O2A    PA     O3A     119.900    3.000
 CSF      O2A    PA     "O5'"   108.200    3.000
 CSF      O3A    PA     "O5'"   108.200    3.000
 CSF      PA     "O5'"  "C5'"   120.500    3.000
 CSF      "O5'"  "C5'"  "H5'"   109.470    3.000
 CSF      "O5'"  "C5'"  "H5''"  109.470    3.000
 CSF      "O5'"  "C5'"  "C4'"   109.470    3.000
 CSF      "H5'"  "C5'"  "H5''"  107.900    3.000
 CSF      "H5'"  "C5'"  "C4'"   109.470    3.000
 CSF      "H5''" "C5'"  "C4'"   109.470    3.000
 CSF      "C5'"  "C4'"  "H4'"   108.340    3.000
 CSF      "C5'"  "C4'"  "C3'"   111.000    3.000
 CSF      "C5'"  "C4'"  "O4'"   109.470    3.000
 CSF      "H4'"  "C4'"  "C3'"   108.340    3.000
 CSF      "H4'"  "C4'"  "O4'"   109.470    3.000
 CSF      "C3'"  "C4'"  "O4'"   109.470    3.000
 CSF      "C4'"  "C3'"  "H3'"   108.340    3.000
 CSF      "C4'"  "C3'"  "O3'"   109.470    3.000
 CSF      "C4'"  "C3'"  "C2'"   111.000    3.000
 CSF      "H3'"  "C3'"  "O3'"   109.470    3.000
 CSF      "H3'"  "C3'"  "C2'"   108.340    3.000
 CSF      "O3'"  "C3'"  "C2'"   109.470    3.000
 CSF      "C3'"  "O3'"  "HO3'"  109.470    3.000
 CSF      "C4'"  "O4'"  "C1'"   111.800    3.000
 CSF      "O4'"  "C1'"  "H1'"   109.470    3.000
 CSF      "O4'"  "C1'"  "C2'"   109.470    3.000
 CSF      "O4'"  "C1'"  N1      109.470    3.000
 CSF      "H1'"  "C1'"  "C2'"   108.340    3.000
 CSF      "H1'"  "C1'"  N1      109.470    3.000
 CSF      "C2'"  "C1'"  N1      109.470    3.000
 CSF      "C1'"  "C2'"  "H2'"   108.340    3.000
 CSF      "C1'"  "C2'"  "O2'"   109.470    3.000
 CSF      "C1'"  "C2'"  "C3'"   111.000    3.000
 CSF      "H2'"  "C2'"  "O2'"   109.470    3.000
 CSF      "H2'"  "C2'"  "C3'"   108.340    3.000
 CSF      "O2'"  "C2'"  "C3'"   109.470    3.000
 CSF      "C2'"  "O2'"  H8      109.470    3.000
 CSF      "C1'"  N1     C6      120.000    3.000
 CSF      "C1'"  N1     C2      120.000    3.000
 CSF      C6     N1     C2      120.000    3.000
 CSF      N1     C6     H6      120.000    3.000
 CSF      N1     C6     C5      120.000    3.000
 CSF      H6     C6     C5      120.000    3.000
 CSF      C6     C5     H7      120.000    3.000
 CSF      C6     C5     C4      120.000    3.000
 CSF      H7     C5     C4      120.000    3.000
 CSF      C5     C4     N4      120.000    3.000
 CSF      C5     C4     N3      120.000    3.000
 CSF      N4     C4     N3      120.000    3.000
 CSF      C4     N4     H42     120.000    3.000
 CSF      C4     N4     H41     120.000    3.000
 CSF      H42    N4     H41     120.000    3.000
 CSF      C4     N3     C2      120.000    3.000
 CSF      N3     C2     O2      120.000    3.000
 CSF      N3     C2     N1      120.000    3.000
 CSF      O2     C2     N1      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
 CSF      var_1    F3A    C3A    C4A    O4A       60.000   20.000   3
 CSF      var_2    C3A    C4A    O4A    H4        60.741   20.000   1
 CSF      var_3    F3A    C3A    C2A    O1A      180.000   20.000   1
 CSF      var_4    C3A    C2A    C1A    OBA      -59.994   20.000   1
 CSF      var_5    C3A    C2A    O6A    C6A       60.000   20.000   1
 CSF      var_6    C2A    O6A    C6A    C5A      -60.000   20.000   1
 CSF      var_7    O6A    C6A    C7A    C8A       60.651   20.000   3
 CSF      var_8    C6A    C7A    O7A    H1       -73.864   20.000   1
 CSF      var_9    C6A    C7A    C8A    C9A      174.829   20.000   3
 CSF      var_10   C7A    C8A    O8A    H2       -59.984   20.000   1
 CSF      var_11   C7A    C8A    C9A    O9A     -179.987   20.000   3
 CSF      var_12   C8A    C9A    O9A    H9A      179.950   20.000   1
 CSF      var_13   O6A    C6A    C5A    N5A      180.000   20.000   3
 CSF      var_14   C6A    C5A    C4A    C3A      -60.000   20.000   3
 CSF      var_15   C6A    C5A    N5A    C10      150.158   20.000   3
 CSF      CONST_1  C5A    N5A    C10    O10        0.000    0.000   0
 CSF      var_16   N5A    C10    C11    H111    -179.945   20.000   1
 CSF      var_17   C3A    C2A    O1A    PA       179.662   20.000   1
 CSF      var_18   C2A    O1A    PA     "O5'"    172.591   20.000   1
 CSF      var_19   O1A    PA     "O5'"  "C5'"   -179.995   20.000   1
 CSF      var_20   PA     "O5'"  "C5'"  "C4'"    179.996   20.000   1
 CSF      var_21   "O5'"  "C5'"  "C4'"  "O4'"     61.703   20.000   3
 CSF      var_22   "C5'"  "C4'"  "C3'"  "O3'"    120.000   20.000   3
 CSF      var_23   "C4'"  "C3'"  "C2'"  "C1'"    -30.000   20.000   3
 CSF      var_24   "C4'"  "C3'"  "O3'"  "HO3'"   176.175   20.000   1
 CSF      var_25   "C5'"  "C4'"  "O4'"  "C1'"    150.000   20.000   1
 CSF      var_26   "C4'"  "O4'"  "C1'"  N1      -150.000   20.000   1
 CSF      var_27   "O4'"  "C1'"  "C2'"  "O2'"    150.000   20.000   3
 CSF      var_28   "C1'"  "C2'"  "O2'"  H8       179.942   20.000   1
 CSF      var_29   "O4'"  "C1'"  N1     C6      -121.439   20.000   1
 CSF      CONST_2  "C1'"  N1     C2     N3       180.000    0.000   0
 CSF      CONST_3  "C1'"  N1     C6     C5       180.000    0.000   0
 CSF      CONST_4  N1     C6     C5     C4         0.000    0.000   0
 CSF      CONST_5  C6     C5     C4     N3         0.000    0.000   0
 CSF      CONST_6  C5     C4     N4     H41      179.973    0.000   0
 CSF      CONST_7  C5     C4     N3     C2         0.000    0.000   0
 CSF      CONST_8  C4     N3     C2     O2       180.000    0.000   0
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
 CSF      chir_01  C5A    C4A    C6A    N5A       positiv
 CSF      chir_02  C4A    C5A    C3A    O4A       positiv
 CSF      chir_03  C2A    O6A    C3A    C1A       negativ
 CSF      chir_04  C6A    C5A    O6A    C7A       negativ
 CSF      chir_05  C3A    C4A    C2A    F3A       positiv
 CSF      chir_06  C7A    C6A    C8A    O7A       negativ
 CSF      chir_07  C8A    C7A    C9A    O8A       negativ
 CSF      chir_08  "C3'"  "C2'"  "C4'"  "O3'"     negativ
 CSF      chir_09  "C2'"  "C3'"  "C1'"  "O2'"     positiv
 CSF      chir_10  "C1'"  N1     "C2'"  "O4'"     negativ
 CSF      chir_11  "C4'"  "C3'"  "O4'"  "C5'"     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
 CSF      plan-1    N5A       0.020
 CSF      plan-1    C5A       0.020
 CSF      plan-1    C10       0.020
 CSF      plan-1    H3        0.020
 CSF      plan-2    C1A       0.020
 CSF      plan-2    C2A       0.020
 CSF      plan-2    OBA       0.020
 CSF      plan-2    OAA       0.020
 CSF      plan-3    N1        0.020
 CSF      plan-3    C2        0.020
 CSF      plan-3    C6        0.020
 CSF      plan-3    "C1'"     0.020
 CSF      plan-3    N3        0.020
 CSF      plan-3    C4        0.020
 CSF      plan-3    C5        0.020
 CSF      plan-3    O2        0.020
 CSF      plan-3    N4        0.020
 CSF      plan-3    H7        0.020
 CSF      plan-3    H6        0.020
 CSF      plan-3    H42       0.020
 CSF      plan-3    H41       0.020
 CSF      plan-4    N4        0.020
 CSF      plan-4    C4        0.020
 CSF      plan-4    H41       0.020
 CSF      plan-4    H42       0.020
 CSF      plan-5    C10       0.020
 CSF      plan-5    N5A       0.020
 CSF      plan-5    O10       0.020
 CSF      plan-5    C11       0.020
 CSF      plan-5    H3        0.020
# ------------------------------------------------------