# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Fri Jun 12 08:28:58 2020
#   Inital geometry file: a 173 line input string
#   Ligand name: "(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(~{E},2~{R},5~{S})-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol"
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2/C(CCC[C@]12C)=C/C=C\3C[C@@H](O)C[C@H](O)C\3=C
#
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
 7ZU  7ZU  "(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol"
  ligand  75  31  .  2022-07-23  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_7ZU
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
 7ZU  O3   O  OH1   0  -0.675  -7.4107   0.5109   1.3392
 7ZU  C25  C  CT    0   0.237  -7.2541   1.4393   0.2740
 7ZU  C27  C  CH3   0  -0.667  -8.5683   1.5422  -0.5012
 7ZU  C26  C  CH3   0  -0.676  -6.9367   2.7761   0.9333
 7ZU  C24  C  CH1   0  -0.344  -6.1160   0.9578  -0.6631
 7ZU  C23  C  C1    0  -0.159  -4.9150   0.5013   0.1091
 7ZU  C22  C  C1    0  -0.180  -4.3592  -0.7016   0.0159
 7ZU  C20  C  CH1   0  -0.308  -3.1308  -1.1351   0.7635
 7ZU  C21  C  CH3   0  -0.663  -3.4493  -2.3883   1.5805
 7ZU  C17  C  CR15  0  -0.172  -1.9630  -1.3161  -0.2179
 7ZU  C16  C  CH2   0  -0.424  -1.6701  -0.0156  -1.0087
 7ZU  C13  C  CR5   0  -0.062  -0.5838  -1.7343   0.3427
 7ZU  C18  C  CH3   0  -0.677  -0.2267  -0.9080   1.5808
 7ZU  C14  C  CR15  0  -0.246   0.3194  -1.3616  -0.8596
 7ZU  C15  C  CH2   0  -0.453  -0.1523   0.0249  -1.2707
 7ZU  C12  C  CH2   0  -0.417  -0.3961  -3.2293   0.6113
 7ZU  C11  C  CH2   0  -0.434   1.0728  -3.5805   0.8516
 7ZU  C9   C  CH2   0  -0.506   1.9967  -3.0891  -0.2690
 7ZU  C8   C  C     0   0.156   1.7647  -1.6384  -0.5918
 7ZU  C7   C  C1    0  -0.362   2.7142  -0.6911  -0.6523
 7ZU  C6   C  C1    0  -0.301   4.1258  -0.8731  -0.3761
 7ZU  C5   C  C     0   0.101   5.0956   0.0433  -0.5417
 7ZU  C10  C  C     0   0.066   4.8931   1.3974  -1.0892
 7ZU  C4   C  CH2   0  -0.534   6.5180  -0.2323  -0.1337
 7ZU  C3   C  CH1   0   0.072   7.0486   0.8540   0.8055
 7ZU  O2   O  OH1   0  -0.674   8.4199   0.6705   1.0916
 7ZU  C2   C  CH2   0  -0.489   6.8930   2.2223   0.1576
 7ZU  C28  C  CH3   0  -0.664  -5.6937   2.0048  -1.6964
 7ZU  C1   C  CH1   0  -0.028   5.4492   2.5106  -0.2299
 7ZU  O1   O  OH1   0  -0.664   4.7007   2.6274   0.9658
 7ZU  C19  C  C2    0  -0.586   4.3050   1.6534  -2.2565
 7ZU  H1   H  HOH1  0   0.438  -7.4582  -0.3754   0.9645
 7ZU  H2   H  HCH3  0   0.231  -9.3790   1.8530   0.1604
 7ZU  H3   H  HCH3  0   0.221  -8.5116   2.2681  -1.3123
 7ZU  H4   H  HCH3  0   0.225  -8.8410   0.5784  -0.9382
 7ZU  H5   H  HCH3  0   0.233  -5.9811   2.7605   1.4604
 7ZU  H6   H  HCH3  0   0.229  -6.9005   3.5797   0.1988
 7ZU  H7   H  HCH3  0   0.234  -7.7108   3.0317   1.6593
 7ZU  H8   H  HCH1  0   0.230  -6.5071   0.0897  -1.2107
 7ZU  H9   H  H     0   0.222  -4.4461   1.2359   0.7621
 7ZU  H10  H  H     0   0.219  -4.8115  -1.4436  -0.6426
 7ZU  H11  H  HCH1  0   0.224  -2.8734  -0.3288   1.4603
 7ZU  H12  H  HCH3  0   0.216  -3.5719  -3.2628   0.9379
 7ZU  H13  H  HCH3  0   0.228  -2.6622  -2.6134   2.2994
 7ZU  H14  H  HCH3  0   0.232  -4.3741  -2.2553   2.1440
 7ZU  H15  H  HCR5  0   0.211  -2.2536  -2.0983  -0.9333
 7ZU  H16  H  HCH2  0   0.229  -2.2459   0.0104  -1.9343
 7ZU  H17  H  HCH2  0   0.221  -1.9890   0.8604  -0.4392
 7ZU  H18  H  HCH3  0   0.231  -0.4141   0.1573   1.4367
 7ZU  H19  H  HCH3  0   0.228  -0.8169  -1.2235   2.4439
 7ZU  H20  H  HCH3  0   0.236   0.8239  -1.0115   1.8538
 7ZU  H21  H  HCR5  0   0.230   0.0198  -2.0506  -1.6658
 7ZU  H22  H  HCH2  0   0.234   0.0928   0.2490  -2.3100
 7ZU  H23  H  HCH2  0   0.220   0.3183   0.8020  -0.6645
 7ZU  H24  H  HCH2  0   0.231  -0.9839  -3.5637   1.4680
 7ZU  H25  H  HCH2  0   0.213  -0.7679  -3.7893  -0.2549
 7ZU  H26  H  HCH2  0   0.222   1.4037  -3.1548   1.8021
 7ZU  H27  H  HCH2  0   0.233   1.1785  -4.6633   0.9525
 7ZU  H28  H  HCH2  0   0.244   3.0341  -3.2946  -0.0050
 7ZU  H29  H  HCH2  0   0.232   1.7885  -3.6753  -1.1726
 7ZU  H31  H  H     0   0.230   2.4098   0.3127  -0.9254
 7ZU  H32  H  H     0   0.233   4.4337  -1.8297   0.0350
 7ZU  H34  H  HCH2  0   0.245   6.5926  -1.2151   0.3397
 7ZU  H35  H  HCH2  0   0.236   7.1598  -0.2471  -1.0234
 7ZU  H36  H  HCH1  0   0.206   6.4585   0.8276   1.7309
 7ZU  H37  H  HOH1  0   0.449   8.5140  -0.1491   1.5870
 7ZU  H38  H  HCH2  0   0.250   7.2568   3.0066   0.8272
 7ZU  H39  H  HCH2  0   0.237   7.5066   2.2624  -0.7478
 7ZU  H40  H  HCH3  0   0.223  -5.1394   2.8235  -1.2349
 7ZU  H41  H  HCH3  0   0.236  -5.0381   1.5498  -2.4389
 7ZU  H42  H  HCH3  0   0.229  -6.5444   2.4352  -2.2259
 7ZU  H43  H  HCH1  0   0.225   5.4171   3.4483  -0.8011
 7ZU  H44  H  HOH1  0   0.449   3.7754   2.7456   0.7293
 7ZU  H45  H  H     0   0.246   3.9231   0.8646  -2.8923
 7ZU  H46  H  H     0   0.244   4.1990   2.6687  -2.6204

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
 7ZU  O2   C3   single  1.413  0.020  1.413
 7ZU  C2   C3   single  1.522  0.020  1.522
 7ZU  C2   C1   single  1.522  0.020  1.522
 7ZU  C3   C4   single  1.531  0.020  1.531
 7ZU  O1   C1   single  1.415  0.020  1.415
 7ZU  C1   C10  single  1.512  0.020  1.512
 7ZU  C4   C5   single  1.505  0.020  1.505
 7ZU  C10  C5   single  1.475  0.020  1.475
 7ZU  C10  C19  double  1.332  0.020  1.332
 7ZU  C5   C6   double  1.345  0.020  1.345
 7ZU  C28  C24  single  1.530  0.020  1.530
 7ZU  C27  C25  single  1.529  0.020  1.529
 7ZU  C6   C7   single  1.450  0.020  1.450
 7ZU  C26  C25  single  1.524  0.020  1.524
 7ZU  C24  C25  single  1.551  0.020  1.551
 7ZU  C24  C23  single  1.499  0.020  1.499
 7ZU  C25  O3   single  1.422  0.020  1.422
 7ZU  C7   C8   double  1.343  0.020  1.343
 7ZU  C18  C13  single  1.531  0.020  1.531
 7ZU  C8   C9   single  1.504  0.020  1.504
 7ZU  C8   C14  single  1.496  0.020  1.496
 7ZU  C23  C22  double  1.328  0.020  1.328
 7ZU  C9   C11  single  1.533  0.020  1.533
 7ZU  C22  C20  single  1.502  0.020  1.502
 7ZU  C15  C14  single  1.521  0.020  1.521
 7ZU  C15  C16  single  1.541  0.020  1.541
 7ZU  C11  C12  single  1.529  0.020  1.529
 7ZU  C13  C14  single  1.549  0.020  1.549
 7ZU  C13  C12  single  1.530  0.020  1.530
 7ZU  C13  C17  single  1.546  0.020  1.546
 7ZU  C16  C17  single  1.550  0.020  1.550
 7ZU  C17  C20  single  1.536  0.020  1.536
 7ZU  C20  C21  single  1.530  0.020  1.530
 7ZU  O3   H1   single  0.850  0.020  0.980
 7ZU  C27  H2   single  0.970  0.020  1.090
 7ZU  C27  H3   single  0.970  0.020  1.090
 7ZU  C27  H4   single  0.970  0.020  1.090
 7ZU  C26  H5   single  0.970  0.020  1.090
 7ZU  C26  H6   single  0.970  0.020  1.090
 7ZU  C26  H7   single  0.970  0.020  1.090
 7ZU  C24  H8   single  0.970  0.020  1.090
 7ZU  C23  H9   single  0.930  0.020  1.080
 7ZU  C22  H10  single  0.930  0.020  1.080
 7ZU  C20  H11  single  0.970  0.020  1.090
 7ZU  C21  H12  single  0.970  0.020  1.090
 7ZU  C21  H13  single  0.970  0.020  1.090
 7ZU  C21  H14  single  0.970  0.020  1.090
 7ZU  C17  H15  single  0.970  0.020  1.090
 7ZU  C16  H16  single  0.970  0.020  1.090
 7ZU  C16  H17  single  0.970  0.020  1.090
 7ZU  C18  H18  single  0.970  0.020  1.090
 7ZU  C18  H19  single  0.970  0.020  1.090
 7ZU  C18  H20  single  0.970  0.020  1.090
 7ZU  C14  H21  single  0.970  0.020  1.090
 7ZU  C15  H22  single  0.970  0.020  1.090
 7ZU  C15  H23  single  0.970  0.020  1.090
 7ZU  C12  H24  single  0.970  0.020  1.090
 7ZU  C12  H25  single  0.970  0.020  1.090
 7ZU  C11  H26  single  0.970  0.020  1.090
 7ZU  C11  H27  single  0.970  0.020  1.090
 7ZU  C9   H28  single  0.970  0.020  1.090
 7ZU  C9   H29  single  0.970  0.020  1.090
 7ZU  C7   H31  single  0.930  0.020  1.080
 7ZU  C6   H32  single  0.930  0.020  1.080
 7ZU  C4   H34  single  0.970  0.020  1.090
 7ZU  C4   H35  single  0.970  0.020  1.090
 7ZU  C3   H36  single  0.970  0.020  1.090
 7ZU  O2   H37  single  0.850  0.020  0.980
 7ZU  C2   H38  single  0.970  0.020  1.090
 7ZU  C2   H39  single  0.970  0.020  1.090
 7ZU  C28  H40  single  0.970  0.020  1.090
 7ZU  C28  H41  single  0.970  0.020  1.090
 7ZU  C28  H42  single  0.970  0.020  1.090
 7ZU  C1   H43  single  0.970  0.020  1.090
 7ZU  O1   H44  single  0.850  0.020  0.980
 7ZU  C19  H45  single  0.930  0.020  1.080
 7ZU  C19  H46  single  0.930  0.020  1.080

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
 7ZU  H1   O3   C25  108.35  3.000
 7ZU  C24  C25  C26  112.39  3.000
 7ZU  C24  C25  C27  110.19  3.000
 7ZU  C26  C25  C27  109.83  3.000
 7ZU  C24  C25  O3   109.32  3.000
 7ZU  C26  C25  O3   105.76  3.000
 7ZU  C27  C25  O3   109.21  3.000
 7ZU  H4   C27  H3   107.62  3.000
 7ZU  H4   C27  H2   107.95  3.000
 7ZU  H3   C27  H2   107.46  3.000
 7ZU  H4   C27  C25  110.97  3.000
 7ZU  H3   C27  C25  112.17  3.000
 7ZU  H2   C27  C25  110.49  3.000
 7ZU  H7   C26  H6   107.41  3.000
 7ZU  H7   C26  H5   107.64  3.000
 7ZU  H6   C26  H5   107.88  3.000
 7ZU  H7   C26  C25  110.21  3.000
 7ZU  H6   C26  C25  111.24  3.000
 7ZU  H5   C26  C25  112.26  3.000
 7ZU  H8   C24  C28  107.60  3.000
 7ZU  H8   C24  C23  107.55  3.000
 7ZU  C28  C24  C23  109.58  3.000
 7ZU  H8   C24  C25  106.58  3.000
 7ZU  C23  C24  C25  111.79  3.000
 7ZU  C28  C24  C25  113.45  3.000
 7ZU  H9   C23  C22  118.21  3.000
 7ZU  H9   C23  C24  116.65  3.000
 7ZU  C22  C23  C24  125.09  3.000
 7ZU  H10  C22  C20  116.33  3.000
 7ZU  H10  C22  C23  119.02  3.000
 7ZU  C20  C22  C23  124.66  3.000
 7ZU  H11  C20  C17  108.31  3.000
 7ZU  H11  C20  C21  108.18  3.000
 7ZU  C17  C20  C21  113.77  3.000
 7ZU  H11  C20  C22  107.22  3.000
 7ZU  C21  C20  C22  109.39  3.000
 7ZU  C17  C20  C22  109.74  3.000
 7ZU  H14  C21  H13  107.26  3.000
 7ZU  H14  C21  H12  107.84  3.000
 7ZU  H13  C21  H12  107.69  3.000
 7ZU  H14  C21  C20  110.64  3.000
 7ZU  H13  C21  C20  111.79  3.000
 7ZU  H12  C21  C20  111.42  3.000
 7ZU  H15  C17  C13  106.22  3.000
 7ZU  H15  C17  C16  108.36  3.000
 7ZU  C13  C17  C16  104.08  3.000
 7ZU  H15  C17  C20  107.38  3.000
 7ZU  C16  C17  C20  111.77  3.000
 7ZU  C13  C17  C20  118.57  3.000
 7ZU  H17  C16  H16  105.62  3.000
 7ZU  H17  C16  C15  110.80  3.000
 7ZU  H16  C16  C15  112.03  3.000
 7ZU  H17  C16  C17  110.59  3.000
 7ZU  H16  C16  C17  110.69  3.000
 7ZU  C15  C16  C17  107.16  3.000
 7ZU  C12  C13  C14  107.44  3.000
 7ZU  C12  C13  C18  110.90  3.000
 7ZU  C14  C13  C18  111.21  3.000
 7ZU  C12  C13  C17  115.93  3.000
 7ZU  C14  C13  C17  100.00  3.000
 7ZU  C18  C13  C17  110.81  3.000
 7ZU  H20  C18  H19  107.18  3.000
 7ZU  H20  C18  H18  106.93  3.000
 7ZU  H19  C18  H18  107.07  3.000
 7ZU  H20  C18  C13  112.09  3.000
 7ZU  H19  C18  C13  110.92  3.000
 7ZU  H18  C18  C13  112.34  3.000
 7ZU  H21  C14  C8   106.14  3.000
 7ZU  H21  C14  C15  106.73  3.000
 7ZU  C8   C14  C15  121.11  3.000
 7ZU  H21  C14  C13  105.00  3.000
 7ZU  C15  C14  C13  104.37  3.000
 7ZU  C8   C14  C13  112.33  3.000
 7ZU  H23  C15  H22  106.60  3.000
 7ZU  H23  C15  C14  111.40  3.000
 7ZU  H22  C15  C14  112.03  3.000
 7ZU  H23  C15  C16  110.41  3.000
 7ZU  H22  C15  C16  112.87  3.000
 7ZU  C14  C15  C16  103.63  3.000
 7ZU  H25  C12  H24  106.31  3.000
 7ZU  H25  C12  C11  109.43  3.000
 7ZU  H24  C12  C11  108.88  3.000
 7ZU  H25  C12  C13  108.59  3.000
 7ZU  H24  C12  C13  111.78  3.000
 7ZU  C11  C12  C13  111.70  3.000
 7ZU  H27  C11  H26  106.04  3.000
 7ZU  H27  C11  C9   109.08  3.000
 7ZU  H26  C11  C9   109.18  3.000
 7ZU  H27  C11  C12  109.58  3.000
 7ZU  H26  C11  C12  109.76  3.000
 7ZU  C9   C11  C12  112.98  3.000
 7ZU  H29  C9   H28  106.22  3.000
 7ZU  H29  C9   C8   108.02  3.000
 7ZU  H28  C9   C8   112.37  3.000
 7ZU  H29  C9   C11  108.45  3.000
 7ZU  H28  C9   C11  109.64  3.000
 7ZU  C8   C9   C11  111.90  3.000
 7ZU  C7   C8   C9   125.52  3.000
 7ZU  C9   C8   C14  111.47  3.000
 7ZU  C7   C8   C14  123.01  3.000
 7ZU  H31  C7   C6   115.96  3.000
 7ZU  H31  C7   C8   117.78  3.000
 7ZU  C6   C7   C8   126.26  3.000
 7ZU  H32  C6   C5   116.27  3.000
 7ZU  H32  C6   C7   117.31  3.000
 7ZU  C5   C6   C7   126.39  3.000
 7ZU  C4   C5   C10  113.49  3.000
 7ZU  C10  C5   C6   124.93  3.000
 7ZU  C4   C5   C6   121.56  3.000
 7ZU  C19  C10  C1   121.26  3.000
 7ZU  C19  C10  C5   124.23  3.000
 7ZU  C1   C10  C5   114.49  3.000
 7ZU  H35  C4   H34  107.40  3.000
 7ZU  H35  C4   C3   107.72  3.000
 7ZU  H34  C4   C3   110.40  3.000
 7ZU  H35  C4   C5   109.60  3.000
 7ZU  H34  C4   C5   110.27  3.000
 7ZU  C3   C4   C5   111.34  3.000
 7ZU  H36  C3   C2   109.00  3.000
 7ZU  H36  C3   O2   110.36  3.000
 7ZU  C2   C3   O2   107.59  3.000
 7ZU  H36  C3   C4   108.28  3.000
 7ZU  C2   C3   C4   109.96  3.000
 7ZU  O2   C3   C4   111.62  3.000
 7ZU  H37  O2   C3   108.05  3.000
 7ZU  H39  C2   H38  107.08  3.000
 7ZU  H39  C2   C1   108.31  3.000
 7ZU  H38  C2   C1   109.61  3.000
 7ZU  H39  C2   C3   109.13  3.000
 7ZU  H38  C2   C3   110.50  3.000
 7ZU  C1   C2   C3   112.06  3.000
 7ZU  H42  C28  H41  107.64  3.000
 7ZU  H42  C28  H40  107.79  3.000
 7ZU  H41  C28  H40  107.21  3.000
 7ZU  H42  C28  C24  112.49  3.000
 7ZU  H41  C28  C24  109.89  3.000
 7ZU  H40  C28  C24  111.59  3.000
 7ZU  H43  C1   O1   110.69  3.000
 7ZU  H43  C1   C2   108.77  3.000
 7ZU  O1   C1   C2   107.59  3.000
 7ZU  H43  C1   C10  108.79  3.000
 7ZU  O1   C1   C10  110.26  3.000
 7ZU  C2   C1   C10  110.74  3.000
 7ZU  H44  O1   C1   108.12  3.000
 7ZU  H46  C19  H45  116.80  3.000
 7ZU  H46  C19  C10  121.16  3.000
 7ZU  H45  C19  C10  122.03  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
 7ZU  Var_01  C14  C15  C16  C17   10.34  30.0  1
 7ZU  Var_02  C9   C11  C12  C13  -53.26  30.0  1
 7ZU  Var_03  C8   C9   C11  C12   50.01  30.0  1
 7ZU  Var_04  C3   C4   C5   C10   52.39  30.0  1
 7ZU  Var_05  C1   C10  C5   C4   -50.40  30.0  1
 7ZU  Var_06  C6   C7   C8   C14  178.43  30.0  2
 7ZU  Var_07  C5   C6   C7   C8   174.10  30.0  2
 7ZU  Var_08  C4   C5   C6   C7   175.88  30.0  2
 7ZU  Var_09  H45  C19  C10  C5     0.36  30.0  2
 7ZU  Var_10  C20  C22  C23  C24  178.05   0.0  2
 7ZU  Var_11  H2   C27  C25  O3    58.27  30.0  3
 7ZU  Var_12  H5   C26  C25  O3    64.92  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
 7ZU  chir_01  C24  C28  C25  C23  positiv
 7ZU  chir_02  C20  C21  C17  C22  negativ
 7ZU  chir_03  C17  C20  C16  C13  negativ
 7ZU  chir_04  C13  C14  C12  C17  positiv
 7ZU  chir_05  C14  C13  C15  C8   negativ
 7ZU  chir_06  C3   O2   C4   C2   positiv
 7ZU  chir_07  C1   O1   C2   C10  negativ

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
 7ZU  plan-1  C24  0.020
 7ZU  plan-1  C23  0.020
 7ZU  plan-1  C22  0.020
 7ZU  plan-1  C20  0.020
 7ZU  plan-1  H9   0.020
 7ZU  plan-1  H10  0.020

