# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Mar 12 14:49:02 2022
#   Inital geometry file: a 166 line input string
#   Ligand name: (2~{S},4~{R})-4-[(3~{R},5~{S},6~{R},7~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]14
#
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
_chem_comp.initial_date
_chem_comp.modified_date
_chem_comp.source
 FX0  FX0  '(2~{S},4~{R})-4-[(3~{R},5~{S},6~{R},7~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid'  ligand  77  32  .  2022-03-18  2022-03-18
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_FX0
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 FX0  C1   C  CH3    0  -0.670  105.6406  105.8394   94.5722
 FX0  C2   C  CH3    0  -0.656  105.7594  102.6002   93.2922
 FX0  C10  C  CH2    0  -0.495  106.5733  109.3649   97.5634
 FX0  C11  C  CH1    0  -0.241  110.4348  110.7021   99.1929
 FX0  C12  C  CH2    0  -0.447  110.1092  107.2615   96.2354
 FX0  C19  C  CH2    0  -0.456  106.4952  110.5274  101.1592
 FX0  C18  C  CH3    0  -0.675  107.9931  112.0730   97.9613
 FX0  C20  C  CH1    0   0.096  107.7227  110.6960  102.0319
 FX0  C13  C  CH2    0  -0.446  109.4728  106.1243   95.4106
 FX0  C14  C  CH2    0  -0.432  106.6643  111.3454   99.8887
 FX0  C15  C  CH2    0  -0.487  108.9675  110.2719  101.2650
 FX0  C16  C  CH3    0  -0.694  107.8092  108.6134   94.9013
 FX0  C17  C  CH1    0  -0.236  107.1496  105.6860   94.4140
 FX0  C01  C  CH1    0  -0.261  109.0971  109.2048   97.6592
 FX0  C02  C  CH1    0  -0.169  108.9474  107.8175   97.0490
 FX0  C03  C  CH1    0  -0.180  107.8164  109.5704   98.4343
 FX0  C04  C  CT     0  -0.089  107.7359  107.6668   96.1062
 FX0  C05  C  CT     0  -0.060  107.9046  110.9918   99.0480
 FX0  C06  C  CH1    0  -0.194  109.1521  111.0642   99.9641
 FX0  C07  C  CH1    0  -0.166  107.9382  106.2045   95.6268
 FX0  C08  C  CH1    0   0.067  110.3610  109.3299   98.5116
 FX0  C09  C  CH1    0   0.094  106.4666  107.9845   96.9073
 FX0  C21  C  CH2    0  -0.451  111.7009  110.8989  100.0341
 FX0  C24  C  CH3    0  -0.666  113.0001  110.7812   99.2453
 FX0  C25  C  CH1    0  -0.349  106.8661  103.5748   92.9104
 FX0  C27  C  C      0   0.406  107.9439  102.9634   91.9823
 FX0  O01  O  OH1    0  -0.670  110.4068  108.2480   99.4234
 FX0  O02  O  OH1    0  -0.672  106.2622  106.9681   97.8714
 FX0  O03  O  OH1    0  -0.675  107.5427  109.9390  103.2132
 FX0  O04  O  OC    -1  -0.623  108.8045  103.7647   91.5564
 FX0  O05  O  O      0  -0.600  107.8808  101.7446   91.7242
 FX0  C28  C  CH2    0  -0.410  107.5155  104.2148   94.1587
 FX0  H1   H  HCH3   0   0.228  105.3321  106.8824   94.6222
 FX0  H2   H  HCH3   0   0.233  105.1054  105.3992   93.7300
 FX0  H3   H  HCH3   0   0.205  105.2908  105.3431   95.4801
 FX0  H6   H  HCH3   0   0.204  106.1535  101.7558   93.8607
 FX0  H7   H  HCH2   0   0.229  106.5210  110.1219   96.7768
 FX0  H8   H  HCH2   0   0.234  105.6682  109.5154   98.1615
 FX0  H9   H  HCH1   0   0.223  110.5193  111.4232   98.3700
 FX0  H10  H  HCH2   0   0.224  110.9235  106.9062   96.8686
 FX0  H11  H  HCH2   0   0.211  110.5345  108.0313   95.5849
 FX0  H12  H  HCH2   0   0.229  105.6007  110.8600  101.6935
 FX0  H13  H  HCH2   0   0.215  106.3495  109.4666  100.9281
 FX0  H14  H  HCH3   0   0.225  108.2010  113.0442   98.4160
 FX0  H15  H  HCH3   0   0.231  108.7709  111.8918   97.2204
 FX0  H16  H  HCH3   0   0.227  107.0496  112.1667   97.4217
 FX0  H17  H  HCH1   0   0.172  107.8156  111.7670  102.2782
 FX0  H18  H  HCH2   0   0.226  109.8592  105.1507   95.7146
 FX0  H19  H  HCH2   0   0.214  109.7167  106.2278   94.3495
 FX0  H20  H  HCH2   0   0.217  106.7485  112.4012  100.1732
 FX0  H21  H  HCH2   0   0.232  105.7624  111.2845   99.2758
 FX0  H22  H  HCH2   0   0.228  108.9038  109.2006  101.0705
 FX0  H23  H  HCH2   0   0.228  109.8444  110.4186  101.9042
 FX0  H24  H  HCH3   0   0.235  107.9278  109.6582   95.1862
 FX0  H25  H  HCH3   0   0.237  108.6397  108.3729   94.2363
 FX0  H26  H  HCH3   0   0.231  106.8985  108.5506   94.3024
 FX0  H27  H  HCH1   0   0.197  107.4621  106.2537   93.5269
 FX0  H28  H  HCH1   0   0.217  109.2326  109.9261   96.8444
 FX0  H29  H  HCH1   0   0.218  108.7747  107.1159   97.8721
 FX0  H30  H  HCH1   0   0.217  107.7359  108.8554   99.2609
 FX0  H31  H  HCH1   0   0.206  109.2584  112.1195  100.2572
 FX0  H32  H  HCH1   0   0.209  107.6849  105.5495   96.4680
 FX0  H33  H  HCH1   0   0.209  111.2159  109.2574   97.8219
 FX0  H34  H  HCH1   0   0.199  105.6045  108.0259   96.2283
 FX0  H35  H  HCH2   0   0.228  111.6498  111.8946  100.4854
 FX0  H36  H  HCH2   0   0.214  111.7312  110.2065  100.8810
 FX0  H37  H  HCH3   0   0.230  113.8554  111.0527   99.8649
 FX0  H38  H  HCH3   0   0.221  113.1759  109.7667   98.8846
 FX0  H39  H  HCH3   0   0.217  112.9979  111.4424   98.3765
 FX0  H40  H  HCH1   0   0.209  106.4134  104.3850   92.3239
 FX0  H41  H  HOH1   0   0.447  111.2017  108.3278   99.9585
 FX0  H42  H  HOH1   0   0.442  105.5366  107.2414   98.4408
 FX0  H43  H  HOH1   0   0.440  108.3328  110.0356  103.7544
 FX0  H45  H  HCH2   0   0.197  107.2363  103.6373   95.0489
 FX0  H46  H  HCH2   0   0.235  108.6005  104.1382   94.0850
 FX0  H4   H  HCH3   0   0.208  105.0072  103.0869   93.9159
 FX0  H5   H  HCH3   0   0.208  105.2493  102.1963   92.4168

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
_chem_comp_bond.value_dist_neutron
 FX0  O05  C27  deloc   1.247  0.020  1.247
 FX0  C27  O04  deloc   1.251  0.020  1.251
 FX0  C27  C25  single  1.548  0.020  1.548
 FX0  C25  C2   single  1.523  0.020  1.523
 FX0  C25  C28  single  1.546  0.020  1.546
 FX0  C28  C17  single  1.537  0.020  1.537
 FX0  C17  C1   single  1.525  0.020  1.525
 FX0  C17  C07  single  1.537  0.020  1.537
 FX0  C16  C04  single  1.534  0.020  1.534
 FX0  C13  C07  single  1.552  0.020  1.552
 FX0  C13  C12  single  1.542  0.020  1.542
 FX0  C07  C04  single  1.552  0.020  1.552
 FX0  C04  C09  single  1.534  0.020  1.534
 FX0  C04  C02  single  1.543  0.020  1.543
 FX0  C12  C02  single  1.523  0.020  1.523
 FX0  C09  C10  single  1.532  0.020  1.532
 FX0  C09  O02  single  1.416  0.020  1.416
 FX0  C02  C01  single  1.523  0.020  1.523
 FX0  C10  C03  single  1.532  0.020  1.532
 FX0  C01  C03  single  1.541  0.020  1.541
 FX0  C01  C08  single  1.530  0.020  1.530
 FX0  C18  C05  single  1.535  0.020  1.535
 FX0  C03  C05  single  1.551  0.020  1.551
 FX0  C08  C11  single  1.534  0.020  1.534
 FX0  C08  O01  single  1.416  0.020  1.416
 FX0  C05  C14  single  1.540  0.020  1.540
 FX0  C05  C06  single  1.549  0.020  1.549
 FX0  C11  C06  single  1.540  0.020  1.540
 FX0  C11  C21  single  1.533  0.020  1.533
 FX0  C24  C21  single  1.524  0.020  1.524
 FX0  C14  C19  single  1.521  0.020  1.521
 FX0  C06  C15  single  1.534  0.020  1.534
 FX0  C19  C20  single  1.516  0.020  1.516
 FX0  C15  C20  single  1.522  0.020  1.522
 FX0  C20  O03  single  1.415  0.020  1.415
 FX0  C1   H1   single  0.970  0.020  1.090
 FX0  C1   H2   single  0.970  0.020  1.090
 FX0  C1   H3   single  0.970  0.020  1.090
 FX0  C2   H4   single  0.970  0.020  1.090
 FX0  C2   H5   single  0.970  0.020  1.090
 FX0  C2   H6   single  0.970  0.020  1.090
 FX0  C10  H7   single  0.970  0.020  1.090
 FX0  C10  H8   single  0.970  0.020  1.090
 FX0  C11  H9   single  0.970  0.020  1.090
 FX0  C12  H10  single  0.970  0.020  1.090
 FX0  C12  H11  single  0.970  0.020  1.090
 FX0  C19  H12  single  0.970  0.020  1.090
 FX0  C19  H13  single  0.970  0.020  1.090
 FX0  C18  H14  single  0.970  0.020  1.090
 FX0  C18  H15  single  0.970  0.020  1.090
 FX0  C18  H16  single  0.970  0.020  1.090
 FX0  C20  H17  single  0.970  0.020  1.090
 FX0  C13  H18  single  0.970  0.020  1.090
 FX0  C13  H19  single  0.970  0.020  1.090
 FX0  C14  H20  single  0.970  0.020  1.090
 FX0  C14  H21  single  0.970  0.020  1.090
 FX0  C15  H22  single  0.970  0.020  1.090
 FX0  C15  H23  single  0.970  0.020  1.090
 FX0  C16  H24  single  0.970  0.020  1.090
 FX0  C16  H25  single  0.970  0.020  1.090
 FX0  C16  H26  single  0.970  0.020  1.090
 FX0  C17  H27  single  0.970  0.020  1.090
 FX0  C01  H28  single  0.970  0.020  1.090
 FX0  C02  H29  single  0.970  0.020  1.090
 FX0  C03  H30  single  0.970  0.020  1.090
 FX0  C06  H31  single  0.970  0.020  1.090
 FX0  C07  H32  single  0.970  0.020  1.090
 FX0  C08  H33  single  0.970  0.020  1.090
 FX0  C09  H34  single  0.970  0.020  1.090
 FX0  C21  H35  single  0.970  0.020  1.090
 FX0  C21  H36  single  0.970  0.020  1.090
 FX0  C24  H37  single  0.970  0.020  1.090
 FX0  C24  H38  single  0.970  0.020  1.090
 FX0  C24  H39  single  0.970  0.020  1.090
 FX0  C25  H40  single  0.970  0.020  1.090
 FX0  O01  H41  single  0.850  0.020  0.980
 FX0  O02  H42  single  0.850  0.020  0.980
 FX0  O03  H43  single  0.850  0.020  0.980
 FX0  C28  H45  single  0.970  0.020  1.090
 FX0  C28  H46  single  0.970  0.020  1.090

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
 FX0  H3   C1   H2   107.54  3.000
 FX0  H3   C1   H1   107.83  3.000
 FX0  H2   C1   H1   106.44  3.000
 FX0  H3   C1   C17  110.94  3.000
 FX0  H2   C1   C17  111.40  3.000
 FX0  H1   C1   C17  112.43  3.000
 FX0  H6   C2   H5   107.49  3.000
 FX0  H6   C2   H4   107.22  3.000
 FX0  H5   C2   H4   107.54  3.000
 FX0  H6   C2   C25  111.29  3.000
 FX0  H5   C2   C25  112.06  3.000
 FX0  H4   C2   C25  111.01  3.000
 FX0  H8   C10  H7   104.96  3.000
 FX0  H8   C10  C09  107.47  3.000
 FX0  H7   C10  C09  108.21  3.000
 FX0  H8   C10  C03  109.99  3.000
 FX0  H7   C10  C03  110.80  3.000
 FX0  C09  C10  C03  114.89  3.000
 FX0  H9   C11  C21  105.28  3.000
 FX0  H9   C11  C08  104.98  3.000
 FX0  C21  C11  C08  113.48  3.000
 FX0  H9   C11  C06  106.57  3.000
 FX0  C21  C11  C06  112.52  3.000
 FX0  C08  C11  C06  113.12  3.000
 FX0  H11  C12  H10  106.51  3.000
 FX0  H11  C12  C02  110.93  3.000
 FX0  H10  C12  C02  112.22  3.000
 FX0  H11  C12  C13  111.18  3.000
 FX0  H10  C12  C13  112.22  3.000
 FX0  C02  C12  C13  103.89  3.000
 FX0  H13  C19  H12  106.78  3.000
 FX0  H13  C19  C14  111.07  3.000
 FX0  H12  C19  C14  109.61  3.000
 FX0  H13  C19  C20  109.69  3.000
 FX0  H12  C19  C20  110.33  3.000
 FX0  C14  C19  C20  109.34  3.000
 FX0  H16  C18  H15  107.18  3.000
 FX0  H16  C18  H14  107.10  3.000
 FX0  H15  C18  H14  107.17  3.000
 FX0  H16  C18  C05  111.14  3.000
 FX0  H15  C18  C05  113.91  3.000
 FX0  H14  C18  C05  110.03  3.000
 FX0  H17  C20  O03  110.12  3.000
 FX0  H17  C20  C15  108.31  3.000
 FX0  O03  C20  C15  112.07  3.000
 FX0  H17  C20  C19  107.75  3.000
 FX0  O03  C20  C19  108.56  3.000
 FX0  C15  C20  C19  109.95  3.000
 FX0  H19  C13  H18  106.02  3.000
 FX0  H19  C13  C07  110.53  3.000
 FX0  H18  C13  C07  110.95  3.000
 FX0  H19  C13  C12  110.92  3.000
 FX0  H18  C13  C12  111.28  3.000
 FX0  C07  C13  C12  107.18  3.000
 FX0  H21  C14  H20  105.23  3.000
 FX0  H21  C14  C05  110.25  3.000
 FX0  H20  C14  C05  107.51  3.000
 FX0  H21  C14  C19  110.31  3.000
 FX0  H20  C14  C19  108.04  3.000
 FX0  C05  C14  C19  114.98  3.000
 FX0  H23  C15  H22  106.41  3.000
 FX0  H23  C15  C06  109.23  3.000
 FX0  H22  C15  C06  111.29  3.000
 FX0  H23  C15  C20  108.87  3.000
 FX0  H22  C15  C20  108.40  3.000
 FX0  C06  C15  C20  112.43  3.000
 FX0  H26  C16  H25  106.73  3.000
 FX0  H26  C16  H24  106.83  3.000
 FX0  H25  C16  H24  106.74  3.000
 FX0  H26  C16  C04  110.82  3.000
 FX0  H25  C16  C04  112.28  3.000
 FX0  H24  C16  C04  113.06  3.000
 FX0  H27  C17  C28  107.02  3.000
 FX0  H27  C17  C07  108.48  3.000
 FX0  C28  C17  C07  109.38  3.000
 FX0  H27  C17  C1   108.26  3.000
 FX0  C07  C17  C1   113.08  3.000
 FX0  C28  C17  C1   110.42  3.000
 FX0  H28  C01  C08  104.96  3.000
 FX0  H28  C01  C03  108.69  3.000
 FX0  C08  C01  C03  112.77  3.000
 FX0  H28  C01  C02  108.28  3.000
 FX0  C08  C01  C02  112.27  3.000
 FX0  C03  C01  C02  109.63  3.000
 FX0  H29  C02  C04  105.84  3.000
 FX0  H29  C02  C01  107.33  3.000
 FX0  C04  C02  C01  114.27  3.000
 FX0  H29  C02  C12  106.73  3.000
 FX0  C01  C02  C12  118.13  3.000
 FX0  C04  C02  C12  103.71  3.000
 FX0  H30  C03  C05  107.68  3.000
 FX0  H30  C03  C01  106.60  3.000
 FX0  C05  C03  C01  111.66  3.000
 FX0  H30  C03  C10  106.37  3.000
 FX0  C05  C03  C10  113.22  3.000
 FX0  C01  C03  C10  110.89  3.000
 FX0  C09  C04  C07  117.66  3.000
 FX0  C09  C04  C02  108.08  3.000
 FX0  C07  C04  C02  100.28  3.000
 FX0  C02  C04  C16  112.47  3.000
 FX0  C09  C04  C16  108.78  3.000
 FX0  C07  C04  C16  109.42  3.000
 FX0  C06  C05  C03  108.82  3.000
 FX0  C06  C05  C14  108.37  3.000
 FX0  C03  C05  C14  112.38  3.000
 FX0  C06  C05  C18  109.83  3.000
 FX0  C14  C05  C18  105.73  3.000
 FX0  C03  C05  C18  111.63  3.000
 FX0  H31  C06  C05  106.27  3.000
 FX0  H31  C06  C15  106.32  3.000
 FX0  C05  C06  C15  112.36  3.000
 FX0  H31  C06  C11  106.16  3.000
 FX0  C15  C06  C11  113.79  3.000
 FX0  C05  C06  C11  111.32  3.000
 FX0  H32  C07  C04  107.21  3.000
 FX0  H32  C07  C17  106.59  3.000
 FX0  C04  C07  C17  119.65  3.000
 FX0  H32  C07  C13  107.73  3.000
 FX0  C04  C07  C13  102.75  3.000
 FX0  C17  C07  C13  112.34  3.000
 FX0  H33  C08  O01  109.15  3.000
 FX0  H33  C08  C01  106.69  3.000
 FX0  O01  C08  C01  108.86  3.000
 FX0  H33  C08  C11  107.45  3.000
 FX0  O01  C08  C11  113.33  3.000
 FX0  C01  C08  C11  111.13  3.000
 FX0  H34  C09  O02  109.56  3.000
 FX0  H34  C09  C04  109.54  3.000
 FX0  O02  C09  C04  109.05  3.000
 FX0  H34  C09  C10  106.59  3.000
 FX0  O02  C09  C10  111.42  3.000
 FX0  C04  C09  C10  110.65  3.000
 FX0  H36  C21  H35  104.94  3.000
 FX0  H36  C21  C24  109.15  3.000
 FX0  H35  C21  C24  108.87  3.000
 FX0  H36  C21  C11  111.49  3.000
 FX0  H35  C21  C11  107.73  3.000
 FX0  C24  C21  C11  114.21  3.000
 FX0  H39  C24  H38  107.48  3.000
 FX0  H39  C24  H37  107.64  3.000
 FX0  H38  C24  H37  107.04  3.000
 FX0  H39  C24  C21  111.30  3.000
 FX0  H38  C24  C21  112.35  3.000
 FX0  H37  C24  C21  110.81  3.000
 FX0  H40  C25  C28  107.40  3.000
 FX0  H40  C25  C27  104.97  3.000
 FX0  C28  C25  C27  110.81  3.000
 FX0  H40  C25  C2   107.84  3.000
 FX0  C28  C25  C2   111.58  3.000
 FX0  C27  C25  C2   113.79  3.000
 FX0  O05  C27  O04  126.19  3.000
 FX0  O04  C27  C25  115.47  3.000
 FX0  O05  C27  C25  118.34  3.000
 FX0  H41  O01  C08  108.77  3.000
 FX0  H42  O02  C09  107.94  3.000
 FX0  H43  O03  C20  108.14  3.000
 FX0  H46  C28  H45  105.73  3.000
 FX0  H46  C28  C25  109.54  3.000
 FX0  H45  C28  C25  109.29  3.000
 FX0  H46  C28  C17  108.37  3.000
 FX0  H45  C28  C17  107.96  3.000
 FX0  C25  C28  C17  115.49  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
 FX0  Var_01  C05  C14  C19  C20   58.06  30.0  1
 FX0  Var_02  C07  C13  C12  C02    8.03  30.0  1
 FX0  Var_03  H37  C24  C21  C11  172.88  30.0  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
 FX0  chir_01  C11  C08  C06  C21  negativ
 FX0  chir_02  C20  O03  C15  C19  negativ
 FX0  chir_03  C17  C28  C1   C07  negativ
 FX0  chir_04  C01  C02  C03  C08  negativ
 FX0  chir_05  C02  C04  C12  C01  negativ
 FX0  chir_06  C03  C05  C01  C10  positiv
 FX0  chir_07  C04  C09  C07  C02  positiv
 FX0  chir_08  C05  C03  C14  C06  negativ
 FX0  chir_09  C06  C15  C11  C05  negativ
 FX0  chir_10  C07  C04  C13  C17  positiv
 FX0  chir_11  C08  O01  C01  C11  negativ
 FX0  chir_12  C09  O02  C04  C10  positiv
 FX0  chir_13  C25  C28  C2   C27  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
 FX0  plan-1  C25  0.020
 FX0  plan-1  C27  0.020
 FX0  plan-1  O04  0.020
 FX0  plan-1  O05  0.020

