#
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
FKP      FKP 'METHYLPIPERAZINOFORSKOLIN           ' non-polymer        89  39 .
#
data_comp_FKP
#
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
 FKP           O5     O    O         0.000     -0.033   -0.258    0.029
 FKP           C21    C    C         0.000      0.797    0.669   -0.039
 FKP           C22    C    CH2       0.000      2.308    0.439   -0.029
 FKP           H221   H    H         0.000      2.762    0.793    0.899
 FKP           H222   H    H         0.000      2.794    0.923   -0.878
 FKP           C23    C    CH2       0.000      2.478   -1.056   -0.135
 FKP           H231   H    H         0.000      2.056   -1.380   -1.088
 FKP           H232   H    H         0.000      1.924   -1.521    0.684
 FKP           C24    C    CH2       0.000      3.918   -1.462   -0.060
 FKP           H241   H    H         0.000      4.399   -1.006    0.808
 FKP           H242   H    H         0.000      4.447   -1.163   -0.967
 FKP           C25    C    CH2       0.000      3.956   -2.977    0.074
 FKP           H251   H    H         0.000      3.438   -3.460   -0.757
 FKP           H252   H    H         0.000      3.509   -3.300    1.017
 FKP           N1     N    NT        0.000      5.355   -3.345    0.052
 FKP           C26    C    CH2       0.000      5.602   -4.774   -0.005
 FKP           H261   H    H         0.000      5.070   -5.166   -0.874
 FKP           H262   H    H         0.000      5.187   -5.215    0.904
 FKP           C27    C    CH2       0.000      7.101   -5.128   -0.113
 FKP           H271   H    H         0.000      7.487   -4.644   -1.013
 FKP           H272   H    H         0.000      7.174   -6.212   -0.225
 FKP           N2     N    NT        0.000      7.878   -4.705    1.037
 FKP           C30    C    CH3       0.000      9.298   -5.032    1.033
 FKP           H303   H    H         0.000      9.416   -6.082    0.979
 FKP           H302   H    H         0.000      9.760   -4.579    0.195
 FKP           H301   H    H         0.000      9.743   -4.669    1.922
 FKP           C28    C    CH2       0.000      7.602   -3.305    1.104
 FKP           H281   H    H         0.000      8.035   -2.867    0.202
 FKP           H282   H    H         0.000      8.136   -2.933    1.981
 FKP           C29    C    CH2       0.000      6.126   -2.920    1.203
 FKP           H29    H    H         0.000      6.072   -1.833    1.297
 FKP           H291   H    H         0.000      5.721   -3.383    2.105
 FKP           O4     O    O2        0.000      0.536    2.129   -0.075
 FKP           C7     C    CH1       0.000     -0.780    2.584    0.223
 FKP           H7     H    H         0.000     -1.326    1.743   -0.226
 FKP           C6     C    CH1       0.000     -1.371    2.486    1.607
 FKP           H6     H    H         0.000     -1.236    1.430    1.880
 FKP           O3     O    OH1       0.000     -0.429    3.166    2.399
 FKP           HO3    H    H         0.000      0.425    2.722    2.325
 FKP           C5     C    CH1       0.000     -2.963    2.690    1.621
 FKP           H5     H    H         0.000     -3.298    1.679    1.352
 FKP           C4     C    CT        0.000     -3.477    2.780    3.098
 FKP           C18    C    CH3       0.000     -3.305    1.423    3.794
 FKP           H183   H    H         0.000     -3.860    0.685    3.275
 FKP           H182   H    H         0.000     -2.280    1.154    3.798
 FKP           H181   H    H         0.000     -3.654    1.489    4.792
 FKP           C19    C    CH3       0.000     -2.790    3.782    3.978
 FKP           H193   H    H         0.000     -1.781    3.495    4.108
 FKP           H192   H    H         0.000     -2.834    4.734    3.520
 FKP           H191   H    H         0.000     -3.277    3.813    4.916
 FKP           C3     C    CH2       0.000     -4.971    3.026    3.128
 FKP           H3_1   H    H         0.000     -5.242    3.229    4.167
 FKP           H3_2   H    H         0.000     -5.455    2.103    2.802
 FKP           C2     C    CH2       0.000     -5.425    4.166    2.258
 FKP           H2_1   H    H         0.000     -5.007    5.072    2.702
 FKP           H2_2   H    H         0.000     -6.514    4.193    2.336
 FKP           C1     C    CH1       0.000     -5.012    4.082    0.760
 FKP           H1     H    H         0.000     -5.121    5.071    0.293
 FKP           O2     O    OH1       0.000     -5.815    3.132    0.054
 FKP           HO2    H    H         0.000     -6.744    3.395    0.104
 FKP           C8     C    CT        0.000     -1.405    3.682   -0.595
 FKP           C17    C    CH3       0.000     -0.527    4.907   -0.188
 FKP           H173   H    H         0.000     -0.931    5.796   -0.606
 FKP           H172   H    H         0.000     -0.506    5.001    0.869
 FKP           H171   H    H         0.000      0.464    4.776   -0.545
 FKP           O1     O    O2        0.000     -0.834    3.735   -1.896
 FKP           C13    C    CT        0.000     -1.200    4.624   -2.960
 FKP           C16    C    CH3       0.000     -0.426    5.938   -3.015
 FKP           H163   H    H         0.000     -0.621    6.425   -3.935
 FKP           H162   H    H         0.000     -0.731    6.561   -2.215
 FKP           H161   H    H         0.000      0.611    5.741   -2.933
 FKP           C14    C    C1        0.000     -0.980    3.969   -4.302
 FKP           H14    H    H         0.000     -1.212    4.544   -5.183
 FKP           C15    C    C2        0.000     -0.526    2.748   -4.472
 FKP           H152   H    H         0.000     -0.283    2.142   -3.617
 FKP           H151   H    H         0.000     -0.398    2.357   -5.467
 FKP           C12    C    CH2       0.000     -2.666    4.709   -3.027
 FKP           H121   H    H         0.000     -3.012    4.048   -3.824
 FKP           H122   H    H         0.000     -2.938    5.739   -3.267
 FKP           C11    C    C         0.000     -3.297    4.317   -1.753
 FKP           O7     O    O         0.000     -4.148    5.141   -1.694
 FKP           C9     C    CT        0.000     -2.904    3.234   -0.866
 FKP           O6     O    OH1       0.000     -3.276    2.064   -1.647
 FKP           HO6    H    H         0.000     -2.828    2.087   -2.506
 FKP           C10    C    CT        0.000     -3.592    3.518    0.456
 FKP           C20    C    CH3       0.000     -2.783    4.760    0.528
 FKP           H203   H    H         0.000     -1.774    4.503    0.705
 FKP           H202   H    H         0.000     -2.868    5.278   -0.388
 FKP           H201   H    H         0.000     -3.146    5.361    1.317
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
 FKP      O5     n/a    C21    START
 FKP      C21    O5     O4     .
 FKP      C22    C21    C23    .
 FKP      H221   C22    .      .
 FKP      H222   C22    .      .
 FKP      C23    C22    C24    .
 FKP      H231   C23    .      .
 FKP      H232   C23    .      .
 FKP      C24    C23    C25    .
 FKP      H241   C24    .      .
 FKP      H242   C24    .      .
 FKP      C25    C24    N1     .
 FKP      H251   C25    .      .
 FKP      H252   C25    .      .
 FKP      N1     C25    C26    .
 FKP      C26    N1     C27    .
 FKP      H261   C26    .      .
 FKP      H262   C26    .      .
 FKP      C27    C26    N2     .
 FKP      H271   C27    .      .
 FKP      H272   C27    .      .
 FKP      N2     C27    C28    .
 FKP      C30    N2     H301   .
 FKP      H303   C30    .      .
 FKP      H302   C30    .      .
 FKP      H301   C30    .      .
 FKP      C28    N2     C29    .
 FKP      H281   C28    .      .
 FKP      H282   C28    .      .
 FKP      C29    C28    H291   .
 FKP      H29    C29    .      .
 FKP      H291   C29    .      .
 FKP      O4     C21    C7     .
 FKP      C7     O4     C8     .
 FKP      H7     C7     .      .
 FKP      C6     C7     C5     .
 FKP      H6     C6     .      .
 FKP      O3     C6     HO3    .
 FKP      HO3    O3     .      .
 FKP      C5     C6     C4     .
 FKP      H5     C5     .      .
 FKP      C4     C5     C3     .
 FKP      C18    C4     H181   .
 FKP      H183   C18    .      .
 FKP      H182   C18    .      .
 FKP      H181   C18    .      .
 FKP      C19    C4     H191   .
 FKP      H193   C19    .      .
 FKP      H192   C19    .      .
 FKP      H191   C19    .      .
 FKP      C3     C4     C2     .
 FKP      H3_1   C3     .      .
 FKP      H3_2   C3     .      .
 FKP      C2     C3     C1     .
 FKP      H2_1   C2     .      .
 FKP      H2_2   C2     .      .
 FKP      C1     C2     O2     .
 FKP      H1     C1     .      .
 FKP      O2     C1     HO2    .
 FKP      HO2    O2     .      .
 FKP      C8     C7     O1     .
 FKP      C17    C8     H171   .
 FKP      H173   C17    .      .
 FKP      H172   C17    .      .
 FKP      H171   C17    .      .
 FKP      O1     C8     C13    .
 FKP      C13    O1     C12    .
 FKP      C16    C13    H161   .
 FKP      H163   C16    .      .
 FKP      H162   C16    .      .
 FKP      H161   C16    .      .
 FKP      C14    C13    C15    .
 FKP      H14    C14    .      .
 FKP      C15    C14    H151   .
 FKP      H152   C15    .      .
 FKP      H151   C15    .      .
 FKP      C12    C13    C11    .
 FKP      H121   C12    .      .
 FKP      H122   C12    .      .
 FKP      C11    C12    C9     .
 FKP      O7     C11    .      .
 FKP      C9     C11    C10    .
 FKP      O6     C9     HO6    .
 FKP      HO6    O6     .      .
 FKP      C10    C9     C20    .
 FKP      C20    C10    H201   .
 FKP      H203   C20    .      .
 FKP      H202   C20    .      .
 FKP      H201   C20    .      END
 FKP      C1     C10    .    ADD
 FKP      C5     C10    .    ADD
 FKP      C8     C9     .    ADD
 FKP      N1     C29    .    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
 FKP      O2     C1        single      1.432    0.020
 FKP      C1     C2        single      1.524    0.020
 FKP      C1     C10       single      1.524    0.020
 FKP      H1     C1        single      1.099    0.020
 FKP      HO2    O2        single      0.967    0.020
 FKP      C2     C3        single      1.524    0.020
 FKP      H2_1   C2        single      1.092    0.020
 FKP      H2_2   C2        single      1.092    0.020
 FKP      C3     C4        single      1.524    0.020
 FKP      H3_1   C3        single      1.092    0.020
 FKP      H3_2   C3        single      1.092    0.020
 FKP      C4     C5        single      1.524    0.020
 FKP      C18    C4        single      1.524    0.020
 FKP      C19    C4        single      1.524    0.020
 FKP      C5     C6        single      1.524    0.020
 FKP      C5     C10       single      1.524    0.020
 FKP      H5     C5        single      1.099    0.020
 FKP      O3     C6        single      1.432    0.020
 FKP      C6     C7        single      1.524    0.020
 FKP      H6     C6        single      1.099    0.020
 FKP      HO3    O3        single      0.967    0.020
 FKP      C7     O4        single      1.426    0.020
 FKP      C8     C7        single      1.524    0.020
 FKP      H7     C7        single      1.099    0.020
 FKP      O4     C21       single      1.454    0.020
 FKP      O1     C8        single      1.426    0.020
 FKP      C8     C9        single      1.524    0.020
 FKP      C17    C8        single      1.524    0.020
 FKP      C13    O1        single      1.426    0.020
 FKP      O6     C9        single      1.432    0.020
 FKP      C10    C9        single      1.524    0.020
 FKP      C9     C11       single      1.507    0.020
 FKP      HO6    O6        single      0.967    0.020
 FKP      C20    C10       single      1.524    0.020
 FKP      O7     C11       double      1.220    0.020
 FKP      C11    C12       single      1.510    0.020
 FKP      C12    C13       single      1.524    0.020
 FKP      H121   C12       single      1.092    0.020
 FKP      H122   C12       single      1.092    0.020
 FKP      C14    C13       single      1.510    0.020
 FKP      C16    C13       single      1.524    0.020
 FKP      C15    C14       double      1.320    0.020
 FKP      H14    C14       single      1.077    0.020
 FKP      H151   C15       single      1.077    0.020
 FKP      H152   C15       single      1.077    0.020
 FKP      H161   C16       single      1.059    0.020
 FKP      H162   C16       single      1.059    0.020
 FKP      H163   C16       single      1.059    0.020
 FKP      H171   C17       single      1.059    0.020
 FKP      H172   C17       single      1.059    0.020
 FKP      H173   C17       single      1.059    0.020
 FKP      H181   C18       single      1.059    0.020
 FKP      H182   C18       single      1.059    0.020
 FKP      H183   C18       single      1.059    0.020
 FKP      H191   C19       single      1.059    0.020
 FKP      H192   C19       single      1.059    0.020
 FKP      H193   C19       single      1.059    0.020
 FKP      H201   C20       single      1.059    0.020
 FKP      H202   C20       single      1.059    0.020
 FKP      H203   C20       single      1.059    0.020
 FKP      C21    O5        double      1.220    0.020
 FKP      C22    C21       single      1.510    0.020
 FKP      C23    C22       single      1.524    0.020
 FKP      H221   C22       single      1.092    0.020
 FKP      H222   C22       single      1.092    0.020
 FKP      C24    C23       single      1.524    0.020
 FKP      H231   C23       single      1.092    0.020
 FKP      H232   C23       single      1.092    0.020
 FKP      C25    C24       single      1.524    0.020
 FKP      H241   C24       single      1.092    0.020
 FKP      H242   C24       single      1.092    0.020
 FKP      N1     C25       single      1.469    0.020
 FKP      H251   C25       single      1.092    0.020
 FKP      H252   C25       single      1.092    0.020
 FKP      C26    N1        single      1.469    0.020
 FKP      N1     C29       single      1.469    0.020
 FKP      C27    C26       single      1.524    0.020
 FKP      H261   C26       single      1.092    0.020
 FKP      H262   C26       single      1.092    0.020
 FKP      N2     C27       single      1.469    0.020
 FKP      H271   C27       single      1.092    0.020
 FKP      H272   C27       single      1.092    0.020
 FKP      C28    N2        single      1.469    0.020
 FKP      C30    N2        single      1.469    0.020
 FKP      C29    C28       single      1.524    0.020
 FKP      H281   C28       single      1.092    0.020
 FKP      H282   C28       single      1.092    0.020
 FKP      H291   C29       single      1.092    0.020
 FKP      H29    C29       single      1.092    0.020
 FKP      H301   C30       single      1.059    0.020
 FKP      H302   C30       single      1.059    0.020
 FKP      H303   C30       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
 FKP      O5     C21    C22     120.500    3.000
 FKP      O5     C21    O4      119.000    3.000
 FKP      C22    C21    O4      120.000    3.000
 FKP      C21    C22    H221    109.470    3.000
 FKP      C21    C22    H222    109.470    3.000
 FKP      C21    C22    C23     109.470    3.000
 FKP      H221   C22    H222    107.900    3.000
 FKP      H221   C22    C23     109.470    3.000
 FKP      H222   C22    C23     109.470    3.000
 FKP      C22    C23    H231    109.470    3.000
 FKP      C22    C23    H232    109.470    3.000
 FKP      C22    C23    C24     111.000    3.000
 FKP      H231   C23    H232    107.900    3.000
 FKP      H231   C23    C24     109.470    3.000
 FKP      H232   C23    C24     109.470    3.000
 FKP      C23    C24    H241    109.470    3.000
 FKP      C23    C24    H242    109.470    3.000
 FKP      C23    C24    C25     111.000    3.000
 FKP      H241   C24    H242    107.900    3.000
 FKP      H241   C24    C25     109.470    3.000
 FKP      H242   C24    C25     109.470    3.000
 FKP      C24    C25    H251    109.470    3.000
 FKP      C24    C25    H252    109.470    3.000
 FKP      C24    C25    N1      109.470    3.000
 FKP      H251   C25    H252    107.900    3.000
 FKP      H251   C25    N1      109.470    3.000
 FKP      H252   C25    N1      109.470    3.000
 FKP      C25    N1     C26     109.470    3.000
 FKP      C25    N1     C29     109.470    3.000
 FKP      C26    N1     C29     109.470    3.000
 FKP      N1     C26    H261    109.470    3.000
 FKP      N1     C26    H262    109.470    3.000
 FKP      N1     C26    C27     109.470    3.000
 FKP      H261   C26    H262    107.900    3.000
 FKP      H261   C26    C27     109.470    3.000
 FKP      H262   C26    C27     109.470    3.000
 FKP      C26    C27    H271    109.470    3.000
 FKP      C26    C27    H272    109.470    3.000
 FKP      C26    C27    N2      109.470    3.000
 FKP      H271   C27    H272    107.900    3.000
 FKP      H271   C27    N2      109.470    3.000
 FKP      H272   C27    N2      109.470    3.000
 FKP      C27    N2     C30     109.470    3.000
 FKP      C27    N2     C28     109.470    3.000
 FKP      C30    N2     C28     109.470    3.000
 FKP      N2     C30    H303    109.470    3.000
 FKP      N2     C30    H302    109.470    3.000
 FKP      N2     C30    H301    109.470    3.000
 FKP      H303   C30    H302    109.470    3.000
 FKP      H303   C30    H301    109.470    3.000
 FKP      H302   C30    H301    109.470    3.000
 FKP      N2     C28    H281    109.470    3.000
 FKP      N2     C28    H282    109.470    3.000
 FKP      N2     C28    C29     109.470    3.000
 FKP      H281   C28    H282    107.900    3.000
 FKP      H281   C28    C29     109.470    3.000
 FKP      H282   C28    C29     109.470    3.000
 FKP      C28    C29    H29     109.470    3.000
 FKP      C28    C29    H291    109.470    3.000
 FKP      C28    C29    N1      109.470    3.000
 FKP      H29    C29    H291    107.900    3.000
 FKP      H29    C29    N1      109.470    3.000
 FKP      H291   C29    N1      109.470    3.000
 FKP      C21    O4     C7      111.800    3.000
 FKP      O4     C7     H7      109.470    3.000
 FKP      O4     C7     C6      109.470    3.000
 FKP      O4     C7     C8      109.470    3.000
 FKP      H7     C7     C6      108.340    3.000
 FKP      H7     C7     C8      108.340    3.000
 FKP      C6     C7     C8      111.000    3.000
 FKP      C7     C6     H6      108.340    3.000
 FKP      C7     C6     O3      109.470    3.000
 FKP      C7     C6     C5      111.000    3.000
 FKP      H6     C6     O3      109.470    3.000
 FKP      H6     C6     C5      108.340    3.000
 FKP      O3     C6     C5      109.470    3.000
 FKP      C6     O3     HO3     109.470    3.000
 FKP      C6     C5     H5      108.340    3.000
 FKP      C6     C5     C4      111.000    3.000
 FKP      C6     C5     C10     111.000    3.000
 FKP      H5     C5     C4      108.340    3.000
 FKP      H5     C5     C10     108.340    3.000
 FKP      C4     C5     C10     109.500    3.000
 FKP      C5     C4     C18     111.000    3.000
 FKP      C5     C4     C19     111.000    3.000
 FKP      C5     C4     C3      111.000    3.000
 FKP      C18    C4     C19     111.000    3.000
 FKP      C18    C4     C3      111.000    3.000
 FKP      C19    C4     C3      111.000    3.000
 FKP      C4     C18    H183    109.470    3.000
 FKP      C4     C18    H182    109.470    3.000
 FKP      C4     C18    H181    109.470    3.000
 FKP      H183   C18    H182    109.470    3.000
 FKP      H183   C18    H181    109.470    3.000
 FKP      H182   C18    H181    109.470    3.000
 FKP      C4     C19    H193    109.470    3.000
 FKP      C4     C19    H192    109.470    3.000
 FKP      C4     C19    H191    109.470    3.000
 FKP      H193   C19    H192    109.470    3.000
 FKP      H193   C19    H191    109.470    3.000
 FKP      H192   C19    H191    109.470    3.000
 FKP      C4     C3     H3_1    109.470    3.000
 FKP      C4     C3     H3_2    109.470    3.000
 FKP      C4     C3     C2      111.000    3.000
 FKP      H3_1   C3     H3_2    107.900    3.000
 FKP      H3_1   C3     C2      109.470    3.000
 FKP      H3_2   C3     C2      109.470    3.000
 FKP      C3     C2     H2_1    109.470    3.000
 FKP      C3     C2     H2_2    109.470    3.000
 FKP      C3     C2     C1      111.000    3.000
 FKP      H2_1   C2     H2_2    107.900    3.000
 FKP      H2_1   C2     C1      109.470    3.000
 FKP      H2_2   C2     C1      109.470    3.000
 FKP      C2     C1     H1      108.340    3.000
 FKP      C2     C1     O2      109.470    3.000
 FKP      C2     C1     C10     111.000    3.000
 FKP      H1     C1     O2      109.470    3.000
 FKP      H1     C1     C10     108.340    3.000
 FKP      O2     C1     C10     109.470    3.000
 FKP      C1     O2     HO2     109.470    3.000
 FKP      C7     C8     C17     111.000    3.000
 FKP      C7     C8     O1      109.470    3.000
 FKP      C7     C8     C9      111.000    3.000
 FKP      C17    C8     O1      109.470    3.000
 FKP      C17    C8     C9      111.000    3.000
 FKP      O1     C8     C9      109.470    3.000
 FKP      C8     C17    H173    109.470    3.000
 FKP      C8     C17    H172    109.470    3.000
 FKP      C8     C17    H171    109.470    3.000
 FKP      H173   C17    H172    109.470    3.000
 FKP      H173   C17    H171    109.470    3.000
 FKP      H172   C17    H171    109.470    3.000
 FKP      C8     O1     C13     120.000    3.000
 FKP      O1     C13    C16     109.470    3.000
 FKP      O1     C13    C14     109.470    3.000
 FKP      O1     C13    C12     109.470    3.000
 FKP      C16    C13    C14     109.470    3.000
 FKP      C16    C13    C12     111.000    3.000
 FKP      C14    C13    C12     109.470    3.000
 FKP      C13    C16    H163    109.470    3.000
 FKP      C13    C16    H162    109.470    3.000
 FKP      C13    C16    H161    109.470    3.000
 FKP      H163   C16    H162    109.470    3.000
 FKP      H163   C16    H161    109.470    3.000
 FKP      H162   C16    H161    109.470    3.000
 FKP      C13    C14    H14     120.000    3.000
 FKP      C13    C14    C15     120.000    3.000
 FKP      H14    C14    C15     120.000    3.000
 FKP      C14    C15    H152    120.000    3.000
 FKP      C14    C15    H151    120.000    3.000
 FKP      H152   C15    H151    120.000    3.000
 FKP      C13    C12    H121    109.470    3.000
 FKP      C13    C12    H122    109.470    3.000
 FKP      C13    C12    C11     109.470    3.000
 FKP      H121   C12    H122    107.900    3.000
 FKP      H121   C12    C11     109.470    3.000
 FKP      H122   C12    C11     109.470    3.000
 FKP      C12    C11    O7      120.500    3.000
 FKP      C12    C11    C9      120.000    3.000
 FKP      O7     C11    C9      120.500    3.000
 FKP      C11    C9     O6      109.470    3.000
 FKP      C11    C9     C10     111.000    3.000
 FKP      C11    C9     C8      111.000    3.000
 FKP      O6     C9     C10     109.470    3.000
 FKP      O6     C9     C8      109.470    3.000
 FKP      C10    C9     C8      111.000    3.000
 FKP      C9     O6     HO6     109.470    3.000
 FKP      C9     C10    C20     111.000    3.000
 FKP      C9     C10    C1      111.000    3.000
 FKP      C9     C10    C5      111.000    3.000
 FKP      C1     C10    C5      111.000    3.000
 FKP      C20    C10    C1      111.000    3.000
 FKP      C20    C10    C5      111.000    3.000
 FKP      C10    C20    H203    109.470    3.000
 FKP      C10    C20    H202    109.470    3.000
 FKP      C10    C20    H201    109.470    3.000
 FKP      H203   C20    H202    109.470    3.000
 FKP      H203   C20    H201    109.470    3.000
 FKP      H202   C20    H201    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
 FKP      var_1    O5     C21    C22    C23        0.000   20.000   3
 FKP      var_2    C21    C22    C23    C24      179.980   20.000   3
 FKP      var_3    C22    C23    C24    C25      180.000   20.000   3
 FKP      var_4    C23    C24    C25    N1       180.000   20.000   3
 FKP      var_5    C24    C25    N1     C26      179.980   20.000   1
 FKP      var_6    C25    N1     C29    C28      180.000   20.000   1
 FKP      var_7    C25    N1     C26    C27      180.000   20.000   1
 FKP      var_8    N1     C26    C27    N2        60.000   20.000   3
 FKP      var_9    C26    C27    N2     C28      -60.000   20.000   1
 FKP      var_10   C27    N2     C30    H301     180.000   20.000   1
 FKP      var_11   C27    N2     C28    C29       60.000   20.000   1
 FKP      var_12   N2     C28    C29    N1       -60.000   20.000   3
 FKP      var_13   O5     C21    O4     C7         0.000   20.000   1
 FKP      var_14   C21    O4     C7     C8      -147.977   20.000   1
 FKP      var_15   O4     C7     C6     C5       180.000   20.000   3
 FKP      var_16   C7     C6     O3     HO3      -59.998   20.000   1
 FKP      var_17   C7     C6     C5     C4       180.000   20.000   3
 FKP      var_18   C6     C5     C10    C9        60.000   20.000   1
 FKP      var_19   C6     C5     C4     C3       180.000   20.000   1
 FKP      var_20   C5     C4     C18    H181    -179.980   20.000   1
 FKP      var_21   C5     C4     C19    H191     174.906   20.000   1
 FKP      var_22   C5     C4     C3     C2       -60.000   20.000   1
 FKP      var_23   C4     C3     C2     C1        60.000   20.000   3
 FKP      var_24   C3     C2     C1     O2        60.000   20.000   3
 FKP      var_25   C2     C1     C10    C9       180.000   20.000   1
 FKP      var_26   C2     C1     O2     HO2       59.995   20.000   1
 FKP      var_27   O4     C7     C8     O1        60.000   20.000   1
 FKP      var_28   C7     C8     C9     C11      180.000   20.000   1
 FKP      var_29   C7     C8     C17    H171      66.850   20.000   1
 FKP      var_30   C7     C8     O1     C13      180.000   20.000   1
 FKP      var_31   C8     O1     C13    C12      -30.000   20.000   1
 FKP      var_32   O1     C13    C16    H161      48.218   20.000   1
 FKP      var_33   O1     C13    C14    C15        6.770   20.000   1
 FKP      CONST_1  C13    C14    C15    H151    -179.980    0.000   0
 FKP      var_34   O1     C13    C12    C11       30.000   20.000   1
 FKP      CONST_2  C13    C12    C11    C9       -30.000    0.000   0
 FKP      CONST_3  C12    C11    C9     C10      180.000    0.000   0
 FKP      var_35   C11    C9     O6     HO6       56.984   20.000   1
 FKP      var_36   C11    C9     C10    C20      -60.000   20.000   1
 FKP      var_37   C9     C10    C20    H201     169.585   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
 FKP      chir_01  C1     O2     C2     C10       negativ
 FKP      chir_02  C4     C3     C5     C18       positiv
 FKP      chir_03  C5     C4     C6     C10       positiv
 FKP      chir_04  C6     C5     O3     C7        positiv
 FKP      chir_05  C7     C6     O4     C8        positiv
 FKP      chir_06  C8     C7     O1     C9        negativ
 FKP      chir_07  C9     C8     O6     C10       negativ
 FKP      chir_08  C10    C1     C5     C9        negativ
 FKP      chir_09  C13    O1     C12    C14       positiv
 FKP      chir_10  N1     C25    C26    C29       positiv
 FKP      chir_11  N2     C27    C28    C30       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
 FKP      plan-1    C11       0.020
 FKP      plan-1    C9        0.020
 FKP      plan-1    O7        0.020
 FKP      plan-1    C12       0.020
 FKP      plan-2    C14       0.020
 FKP      plan-2    C13       0.020
 FKP      plan-2    C15       0.020
 FKP      plan-2    H14       0.020
 FKP      plan-2    H151      0.020
 FKP      plan-2    H152      0.020
 FKP      plan-3    C21       0.020
 FKP      plan-3    O4        0.020
 FKP      plan-3    O5        0.020
 FKP      plan-3    C22       0.020
