# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Jul 31 05:58:34 2022
#   Inital geometry file: a 136 line input string
#   Ligand name: (2~{R})-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc2C[C@H](CC3(F)CCN(CC3)Cc4ccc(F)cc4)C(=O)c2cc1OC
#
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
 H0L  H0L  "(2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one"
  ligand  57  30  .  2022-08-10  2022-08-10
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_H0L
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
 H0L  N1   N  NT    0  -0.401  -11.8580  -45.1078  29.9720
 H0L  C4   C  CR56  0   0.107  -16.6218  -42.2083  26.2970
 H0L  C5   C  CR56  0  -0.027  -16.3128  -42.4798  24.9810
 H0L  C6   C  CR16  0  -0.421  -17.2005  -42.1940  23.9378
 H0L  C7   C  CR6   0   0.313  -18.4194  -41.6330  24.2459
 H0L  C8   C  CH3   0  -0.438  -19.1260  -41.5758  21.9933
 H0L  C10  C  CR15  0  -0.427  -14.4682  -43.2823  26.3226
 H0L  C13  C  CH2   0  -0.474  -11.9765  -44.8963  27.5446
 H0L  C15  C  CH2   0  -0.404  -11.3226  -45.7873  31.1377
 H0L  C17  C  CR16  0  -0.281   -9.8424  -44.3220  32.5615
 H0L  C20  C  CR16  0  -0.400   -7.5391  -45.4302  31.4840
 H0L  C21  C  CR16  0  -0.285   -8.7908  -45.8736  31.0783
 H0L  C22  C  CH2   0  -0.277  -12.0369  -43.6813  30.1574
 H0L  C24  C  CH2   0  -0.503  -15.5032  -42.5828  27.2233
 H0L  C11  C  CH2   0  -0.486  -13.0167  -42.8308  26.4765
 H0L  C12  C  CT    0   0.388  -12.2500  -43.4056  27.6631
 H0L  C14  C  CH2   0  -0.282  -11.1740  -45.4160  28.7318
 H0L  C16  C  CR6   0   0.111   -9.9594  -45.3280  31.6050
 H0L  C18  C  CR16  0  -0.400   -8.6031  -43.8621  32.9833
 H0L  C19  C  CR6   0   0.512   -7.4705  -44.4274  32.4318
 H0L  C2   C  CR6   0   0.340  -18.7443  -41.3479  25.6055
 H0L  C23  C  CH2   0  -0.478  -12.8642  -43.1019  29.0189
 H0L  C3   C  CR16  0  -0.453  -17.8472  -41.6357  26.6225
 H0L  C9   C  CR5   0   0.371  -14.9780  -43.0630  24.8953
 H0L  F1   F  F     0  -0.400  -10.9878  -42.7633  27.6278
 H0L  F2   F  F     0  -0.318   -6.2650  -43.9931  32.8374
 H0L  O1   O  O2    0  -0.449  -19.9477  -40.7988  25.7875
 H0L  O3   O  O     0  -0.404  -14.3715  -43.3425  23.8830
 H0L  H2   H  HCR6  0   0.283  -16.9223  -42.4211  22.9168
 H0L  H3   H  HCH3  0   0.261  -20.0093  -41.2502  21.4495
 H0L  H4   H  HCH3  0   0.229  -18.2593  -41.0223  21.6220
 H0L  H5   H  HCH3  0   0.229  -18.9690  -42.6418  21.8071
 H0L  H6   H  HCR5  0   0.300  -14.5347  -44.3657  26.4818
 H0L  H7   H  HCH2  0   0.238  -12.9272  -45.4333  27.4983
 H0L  H8   H  HCH2  0   0.244  -11.4450  -45.1065  26.6128
 H0L  H9   H  HCH2  0   0.249  -12.0381  -45.6575  31.9551
 H0L  H10  H  HCH2  0   0.249  -11.2896  -46.8568  30.9133
 H0L  H11  H  HCR6  0   0.262  -10.7364  -43.8906  32.9961
 H0L  H12  H  HCR6  0   0.275   -6.6352  -45.8625  31.0744
 H0L  H13  H  HCR6  0   0.262   -8.8522  -46.6694  30.3456
 H0L  H14  H  HCH2  0   0.202  -11.0820  -43.1395  30.2381
 H0L  H15  H  HCH2  0   0.236  -12.5648  -43.5160  31.1001
 H0L  H16  H  HCH2  0   0.266  -15.8561  -43.2238  28.0330
 H0L  H17  H  HCH2  0   0.267  -15.0847  -41.6902  27.6962
 H0L  H18  H  HCH3  0   0.265  -21.3580  -40.0633  27.0210
 H0L  H19  H  HCH3  0   0.234  -20.4025  -41.3751  27.7376
 H0L  H20  H  HCH3  0   0.234  -19.7013  -39.7491  27.5713
 H0L  H21  H  HCH2  0   0.251  -12.4671  -43.1033  25.5711
 H0L  H22  H  HCH2  0   0.251  -12.9924  -41.7385  26.5460
 H0L  H23  H  HCH2  0   0.236  -11.0757  -46.5012  28.6475
 H0L  H24  H  HCH2  0   0.201  -10.1526  -45.0070  28.6962
 H0L  H25  H  HCR6  0   0.275   -8.5210  -43.0831  33.7301
 H0L  H26  H  HCH2  0   0.243  -12.9837  -42.0232  29.1498
 H0L  H27  H  HCH2  0   0.245  -13.8615  -43.5435  29.0587
 H0L  H28  H  HCR6  0   0.282  -18.0867  -41.4214  27.6559
 H0L  O2   O  O2    0  -0.460  -19.3751  -41.3116  23.3582
 H0L  C1   C  CH3   0  -0.441  -20.3601  -40.4854  27.1048

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
 H0L  C8   O2   single    1.412  0.020  1.412
 H0L  O2   C7   single    1.343  0.020  1.343
 H0L  C6   C7   aromatic  1.377  0.020  1.377
 H0L  C6   C5   aromatic  1.399  0.020  1.399
 H0L  O3   C9   double    1.213  0.020  1.213
 H0L  C7   C2   aromatic  1.427  0.020  1.427
 H0L  C9   C5   single    1.459  0.020  1.459
 H0L  C9   C10  single    1.531  0.020  1.531
 H0L  C5   C4   aromatic  1.379  0.020  1.379
 H0L  C2   O1   single    1.335  0.020  1.335
 H0L  C2   C3   aromatic  1.386  0.020  1.386
 H0L  O1   C1   single    1.416  0.020  1.416
 H0L  C10  C11  single    1.528  0.020  1.528
 H0L  C10  C24  single    1.540  0.020  1.540
 H0L  C4   C3   aromatic  1.391  0.020  1.391
 H0L  C4   C24  single    1.500  0.020  1.500
 H0L  C11  C12  single    1.525  0.020  1.525
 H0L  C13  C12  single    1.520  0.020  1.520
 H0L  C13  C14  single    1.524  0.020  1.524
 H0L  F1   C12  single    1.417  0.020  1.417
 H0L  C12  C23  single    1.519  0.020  1.519
 H0L  C14  N1   single    1.449  0.020  1.449
 H0L  C23  C22  single    1.522  0.020  1.522
 H0L  N1   C22  single    1.450  0.020  1.450
 H0L  N1   C15  single    1.452  0.020  1.452
 H0L  C21  C20  aromatic  1.389  0.020  1.389
 H0L  C21  C16  aromatic  1.393  0.020  1.393
 H0L  C15  C16  single    1.513  0.020  1.513
 H0L  C20  C19  aromatic  1.381  0.020  1.381
 H0L  C16  C17  aromatic  1.393  0.020  1.393
 H0L  C19  F2   single    1.344  0.020  1.344
 H0L  C19  C18  aromatic  1.381  0.020  1.381
 H0L  C17  C18  aromatic  1.388  0.020  1.388
 H0L  C6   H2   single    0.930  0.020  1.080
 H0L  C8   H3   single    0.970  0.020  1.090
 H0L  C8   H4   single    0.970  0.020  1.090
 H0L  C8   H5   single    0.970  0.020  1.090
 H0L  C10  H6   single    0.970  0.020  1.090
 H0L  C13  H7   single    0.970  0.020  1.090
 H0L  C13  H8   single    0.970  0.020  1.090
 H0L  C15  H9   single    0.970  0.020  1.090
 H0L  C15  H10  single    0.970  0.020  1.090
 H0L  C17  H11  single    0.930  0.020  1.080
 H0L  C20  H12  single    0.930  0.020  1.080
 H0L  C21  H13  single    0.930  0.020  1.080
 H0L  C22  H14  single    0.970  0.020  1.090
 H0L  C22  H15  single    0.970  0.020  1.090
 H0L  C24  H16  single    0.970  0.020  1.090
 H0L  C24  H17  single    0.970  0.020  1.090
 H0L  C1   H18  single    0.970  0.020  1.090
 H0L  C1   H19  single    0.970  0.020  1.090
 H0L  C1   H20  single    0.970  0.020  1.090
 H0L  C11  H21  single    0.970  0.020  1.090
 H0L  C11  H22  single    0.970  0.020  1.090
 H0L  C14  H23  single    0.970  0.020  1.090
 H0L  C14  H24  single    0.970  0.020  1.090
 H0L  C18  H25  single    0.930  0.020  1.080
 H0L  C23  H26  single    0.970  0.020  1.090
 H0L  C23  H27  single    0.970  0.020  1.090
 H0L  C3   H28  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
 H0L  C14  N1   C22  112.15  3.000
 H0L  C22  N1   C15  113.79  3.000
 H0L  C14  N1   C15  114.43  3.000
 H0L  C3   C4   C24  127.96  3.000
 H0L  C24  C4   C5   111.91  3.000
 H0L  C3   C4   C5   120.12  3.000
 H0L  C9   C5   C6   128.19  3.000
 H0L  C9   C5   C4   109.86  3.000
 H0L  C6   C5   C4   121.95  3.000
 H0L  H2   C6   C7   121.62  3.000
 H0L  H2   C6   C5   119.82  3.000
 H0L  C7   C6   C5   118.56  3.000
 H0L  O2   C7   C2   114.82  3.000
 H0L  C2   C7   C6   119.76  3.000
 H0L  O2   C7   C6   125.41  3.000
 H0L  H5   C8   H4   108.77  3.000
 H0L  H5   C8   H3   108.88  3.000
 H0L  H4   C8   H3   108.81  3.000
 H0L  H5   C8   O2   111.85  3.000
 H0L  H4   C8   O2   111.92  3.000
 H0L  H3   C8   O2   106.51  3.000
 H0L  H6   C10  C9   104.86  3.000
 H0L  H6   C10  C11  109.56  3.000
 H0L  C9   C10  C11  111.58  3.000
 H0L  H6   C10  C24  108.84  3.000
 H0L  C11  C10  C24  116.44  3.000
 H0L  C9   C10  C24  104.85  3.000
 H0L  H8   C13  H7   107.00  3.000
 H0L  H8   C13  C14  110.02  3.000
 H0L  H7   C13  C14  108.87  3.000
 H0L  H8   C13  C12  110.03  3.000
 H0L  H7   C13  C12  109.19  3.000
 H0L  C14  C13  C12  111.61  3.000
 H0L  H10  C15  H9   106.81  3.000
 H0L  H10  C15  C16  109.46  3.000
 H0L  H9   C15  C16  108.82  3.000
 H0L  H10  C15  N1   107.71  3.000
 H0L  H9   C15  N1   107.65  3.000
 H0L  C16  C15  N1   116.00  3.000
 H0L  H11  C17  C18  118.88  3.000
 H0L  H11  C17  C16  119.58  3.000
 H0L  C18  C17  C16  121.54  3.000
 H0L  H12  C20  C19  120.53  3.000
 H0L  H12  C20  C21  120.98  3.000
 H0L  C19  C20  C21  118.49  3.000
 H0L  H13  C21  C16  119.73  3.000
 H0L  H13  C21  C20  118.90  3.000
 H0L  C16  C21  C20  121.37  3.000
 H0L  H15  C22  H14  106.34  3.000
 H0L  H15  C22  C23  108.97  3.000
 H0L  H14  C22  C23  109.81  3.000
 H0L  H15  C22  N1   108.59  3.000
 H0L  H14  C22  N1   112.74  3.000
 H0L  C23  C22  N1   110.25  3.000
 H0L  H17  C24  H16  106.41  3.000
 H0L  H17  C24  C10  111.50  3.000
 H0L  H16  C24  C10  112.61  3.000
 H0L  H17  C24  C4   110.41  3.000
 H0L  H16  C24  C4   111.33  3.000
 H0L  C10  C24  C4   104.68  3.000
 H0L  H22  C11  H21  106.86  3.000
 H0L  H22  C11  C12  108.39  3.000
 H0L  H21  C11  C12  107.31  3.000
 H0L  H22  C11  C10  108.80  3.000
 H0L  H21  C11  C10  108.69  3.000
 H0L  C12  C11  C10  116.40  3.000
 H0L  F1   C12  C23  106.97  3.000
 H0L  C23  C12  C11  114.57  3.000
 H0L  F1   C12  C11  104.93  3.000
 H0L  C23  C12  C13  109.77  3.000
 H0L  F1   C12  C13  106.40  3.000
 H0L  C11  C12  C13  113.54  3.000
 H0L  H24  C14  H23  106.43  3.000
 H0L  H24  C14  C13  109.67  3.000
 H0L  H23  C14  C13  109.02  3.000
 H0L  H24  C14  N1   112.74  3.000
 H0L  H23  C14  N1   108.64  3.000
 H0L  C13  C14  N1   110.21  3.000
 H0L  C21  C16  C17  118.17  3.000
 H0L  C17  C16  C15  120.47  3.000
 H0L  C21  C16  C15  121.35  3.000
 H0L  H25  C18  C19  120.54  3.000
 H0L  H25  C18  C17  121.07  3.000
 H0L  C19  C18  C17  118.39  3.000
 H0L  F2   C19  C18  118.87  3.000
 H0L  C18  C19  C20  122.04  3.000
 H0L  F2   C19  C20  119.09  3.000
 H0L  O1   C2   C3   124.65  3.000
 H0L  C3   C2   C7   120.68  3.000
 H0L  O1   C2   C7   114.67  3.000
 H0L  H27  C23  H26  107.15  3.000
 H0L  H27  C23  C12  108.73  3.000
 H0L  H26  C23  C12  110.38  3.000
 H0L  H27  C23  C22  108.38  3.000
 H0L  H26  C23  C22  110.22  3.000
 H0L  C12  C23  C22  111.83  3.000
 H0L  H28  C3   C2   121.08  3.000
 H0L  H28  C3   C4   119.99  3.000
 H0L  C2   C3   C4   118.93  3.000
 H0L  O3   C9   C10  125.35  3.000
 H0L  C10  C9   C5   107.88  3.000
 H0L  O3   C9   C5   126.77  3.000
 H0L  C2   O1   C1   118.72  3.000
 H0L  C8   O2   C7   117.93  3.000
 H0L  H20  C1   H19  108.96  3.000
 H0L  H20  C1   H18  108.95  3.000
 H0L  H19  C1   H18  108.99  3.000
 H0L  H20  C1   O1   111.77  3.000
 H0L  H19  C1   O1   111.71  3.000
 H0L  H18  C1   O1   106.37  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
 H0L  CONST_01  C7   C6   C5   C4      0.00   0.0  0
 H0L  CONST_02  C7   C2   C3   C4      0.00   0.0  0
 H0L  CONST_03  C2   C7   C6   C5      0.00   0.0  0
 H0L  CONST_04  C2   C3   C4   C5      0.00   0.0  0
 H0L  CONST_05  C3   C2   C7   C6      0.00   0.0  0
 H0L  CONST_06  C3   C4   C5   C6      0.00   0.0  0
 H0L  CONST_07  C20  C21  C16  C17     0.00   0.0  0
 H0L  CONST_08  C20  C19  C18  C17     0.00   0.0  0
 H0L  CONST_09  C18  C19  C20  C21     0.00   0.0  0
 H0L  CONST_10  C18  C17  C16  C21     0.00   0.0  0
 H0L  CONST_11  C19  C20  C21  C16     0.00   0.0  0
 H0L  CONST_12  C19  C18  C17  C16     0.00   0.0  0
 H0L  CONST_13  O1   C2   C3   C4    180.00   0.0  0
 H0L  CONST_14  O2   C7   C6   C5    180.00   0.0  0
 H0L  CONST_15  O1   C2   C7   C6    180.00   0.0  0
 H0L  CONST_16  C20  C21  C16  C15   180.00   0.0  0
 H0L  CONST_17  C18  C17  C16  C15   180.00   0.0  0
 H0L  CONST_18  F2   C19  C18  C17   180.00   0.0  0
 H0L  CONST_19  F2   C19  C20  C21   180.00   0.0  0
 H0L  CONST_20  O2   C7   C2   C3    180.00   0.0  0
 H0L  CONST_21  H2   C6   C5   C4    180.00   0.0  0
 H0L  CONST_22  H28  C3   C4   C5    180.00   0.0  0
 H0L  CONST_23  H28  C3   C2   C7    180.00   0.0  0
 H0L  CONST_24  H13  C21  C16  C17   180.00   0.0  0
 H0L  CONST_25  H25  C18  C19  C20   180.00   0.0  0
 H0L  CONST_26  H11  C17  C16  C21   180.00   0.0  0
 H0L  CONST_27  H28  C3   C4   C24     0.00   0.0  0
 H0L  CONST_28  H12  C20  C21  C16   180.00   0.0  0
 H0L  CONST_29  H25  C18  C17  C16   180.00   0.0  0
 H0L  CONST_30  H12  C20  C19  C18   180.00   0.0  0
 H0L  CONST_31  H13  C21  C20  C19   180.00   0.0  0
 H0L  CONST_32  H11  C17  C18  C19   180.00   0.0  0
 H0L  CONST_33  H2   C6   C7   C2    180.00   0.0  0
 H0L  CONST_34  H2   C6   C5   C9      0.00   0.0  0
 H0L  Var_01    C12  C13  C14  N1     56.04  30.0  1
 H0L  Var_02    C12  C23  C22  N1    -55.81  30.0  1
 H0L  Var_03    C10  C9   C5   C4      5.42  30.0  1
 H0L  Var_04    C10  C24  C4   C5     -5.82  30.0  1
 H0L  Var_05    C10  C9   C5   C6   -175.25  30.0  1
 H0L  Var_06    C3   C4   C24  C10   175.08  30.0  1
 H0L  Var_07    C22  N1   C14  C13   -60.27  30.0  1
 H0L  Var_08    C23  C22  N1   C14    60.11  30.0  1
 H0L  Var_09    C21  C16  C15  N1    -87.09  30.0  2
 H0L  Var_10    C17  C16  C15  N1     91.63  30.0  2
 H0L  Var_11    O3   C9   C5   C4   -175.25  30.0  1
 H0L  Var_12    O3   C9   C5   C6      4.08  30.0  1
 H0L  Var_13    C15  N1   C14  C13   168.19  30.0  1
 H0L  Var_14    C23  C22  N1   C15  -168.03  30.0  1
 H0L  Var_15    C16  C15  N1   C22   -60.59  30.0  3
 H0L  Var_16    C16  C15  N1   C14    70.16  30.0  3
 H0L  Var_17    H7   C13  C14  N1    -64.56  30.0  1
 H0L  Var_18    H8   C13  C14  N1    178.48  30.0  1
 H0L  Var_19    H26  C23  C22  N1   -178.99  30.0  1
 H0L  Var_20    H27  C23  C22  N1     64.04  30.0  1
 H0L  Var_21    H16  C24  C4   C5   -127.75  30.0  1
 H0L  Var_22    H17  C24  C4   C5    114.29  30.0  1
 H0L  Var_23    H23  C14  N1   C22  -179.65  30.0  1
 H0L  Var_24    H24  C14  N1   C22    62.64  30.0  1
 H0L  Var_25    H23  C14  C13  C12   175.20  30.0  1
 H0L  Var_26    H24  C14  C13  C12   -68.64  30.0  1
 H0L  Var_27    H14  C22  C23  C12    69.01  30.0  1
 H0L  Var_28    H15  C22  C23  C12  -174.89  30.0  1
 H0L  Var_29    H14  C22  N1   C14   -63.01  30.0  1
 H0L  Var_30    H15  C22  N1   C14   179.42  30.0  1
 H0L  Var_31    H16  C24  C4   C3     53.15  30.0  1
 H0L  Var_32    H17  C24  C4   C3    -64.81  30.0  1
 H0L  Var_33    C8   O2   C7   C6      0.55  30.0  1
 H0L  Var_34    C1   O1   C2   C7    179.75  30.0  2
 H0L  Var_35    C2   C7   O2   C8   -179.52  30.0  2
 H0L  Var_36    C3   C2   O1   C1     -0.30  30.0  2
 H0L  Var_37    H23  C14  N1   C15    48.81  30.0  1
 H0L  Var_38    H24  C14  N1   C15   -68.91  30.0  1
 H0L  Var_39    H14  C22  N1   C15    68.86  30.0  1
 H0L  Var_40    H15  C22  N1   C15   -48.71  30.0  1
 H0L  Var_41    H9   C15  C16  C17   -29.88  30.0  2
 H0L  Var_42    H10  C15  C16  C17  -146.27  30.0  2
 H0L  Var_43    H9   C15  C16  C21   151.40  30.0  2
 H0L  Var_44    H10  C15  C16  C21    35.01  30.0  2
 H0L  Var_45    H9   C15  N1   C22    61.55  30.0  3
 H0L  Var_46    H10  C15  N1   C22   176.39  30.0  3
 H0L  Var_47    H9   C15  N1   C14  -167.70  30.0  3
 H0L  Var_48    H10  C15  N1   C14   -52.86  30.0  3
 H0L  Var_49    H3   C8   O2   C7    179.87  30.0  3
 H0L  Var_50    H4   C8   O2   C7    -61.33  30.0  3
 H0L  Var_51    H5   C8   O2   C7     61.02  30.0  3
 H0L  Var_52    H18  C1   O1   C2   -179.51  30.0  3
 H0L  Var_53    H19  C1   O1   C2    -60.70  30.0  3
 H0L  Var_54    H20  C1   O1   C2     61.69  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
 H0L  chir_01  C10  C9   C11  C24  negativ
 H0L  chir_02  C12  C11  C13  C23  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
 H0L  plan-1  C15  0.020
 H0L  plan-1  C17  0.020
 H0L  plan-1  C20  0.020
 H0L  plan-1  C21  0.020
 H0L  plan-1  C16  0.020
 H0L  plan-1  C18  0.020
 H0L  plan-1  C19  0.020
 H0L  plan-1  F2   0.020
 H0L  plan-1  H11  0.020
 H0L  plan-1  H12  0.020
 H0L  plan-1  H13  0.020
 H0L  plan-1  H25  0.020
 H0L  plan-2  C4   0.020
 H0L  plan-2  C5   0.020
 H0L  plan-2  C6   0.020
 H0L  plan-2  C7   0.020
 H0L  plan-2  C24  0.020
 H0L  plan-2  C2   0.020
 H0L  plan-2  C3   0.020
 H0L  plan-2  C9   0.020
 H0L  plan-2  O1   0.020
 H0L  plan-2  H2   0.020
 H0L  plan-2  H28  0.020
 H0L  plan-2  O2   0.020
 H0L  plan-3  C5   0.020
 H0L  plan-3  C10  0.020
 H0L  plan-3  C9   0.020
 H0L  plan-3  O3   0.020

