# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  2 21:01:49 2020
#   Inital geometry file: a 147 line input string
#   Ligand name: 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1[nH]nc(C)c1c2cc(Cl)cc3n(Cc4cc(C)c(F)c(C)c4)c(nc23)N5CC6(CNC6)C5
#
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
 FVM  FVM  6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole  ligand  62  34  .  2022-07-25  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_FVM
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
 FVM  N1   N   N     0  -0.510  -1.2599   1.0165   0.1163
 FVM  N3   N   NR15  0  -0.486  -5.1090  -0.2923   2.7768
 FVM  C4   C   CH2   0  -0.461   1.6595  -0.0355  -1.7789
 FVM  C5   C   CR5   0   0.693  -0.1401   1.2525  -0.5202
 FVM  C6   C   CR56  0   0.107  -1.5370  -0.3046  -0.1217
 FVM  C7   C   CR6   0  -0.029  -2.6038  -1.0895   0.3233
 FVM  C8   C   CR16  0  -0.314  -2.6043  -2.4322  -0.0607
 FVM  C10  C   CR16  0  -0.291  -0.5217  -2.1979  -1.3078
 FVM  C13  C   CR5   0   0.241  -4.4683   0.5962   0.9743
 FVM  C15  C   CR5   0   0.388  -4.1235  -1.1026   2.3608
 FVM  C17  C   C     0  -0.266  -0.1609   3.6569   0.0059
 FVM  C20  C   C     0  -0.267   0.2298   5.6292  -1.8086
 FVM  C21  C   C     0  -0.287   1.1775   3.1582  -1.5702
 FVM  C22  C   CR16  0  -0.348   3.0882   0.2110   0.2803
 FVM  N    N   NR5   0  -0.570   0.3485   0.1575  -1.1876
 FVM  C1   C   CR6   0  -0.070   4.0909  -2.3807  -0.0278
 FVM  C11  C   CR56  0   0.367  -0.5346  -0.8682  -0.9277
 FVM  C12  C   CR5   0  -0.181  -3.6653  -0.5540   1.1746
 FVM  C16  C   CH3   0  -0.749  -3.6973  -2.3106   3.1149
 FVM  C18  C   C     0  -0.124   0.7234   4.4793  -0.9320
 FVM  C19  C   C     0  -0.261   1.7866   5.4616  -0.4318
 FVM  C2   C   CR16  0  -0.367   3.1697  -1.8551  -0.9307
 FVM  C23  C   CR6   0  -0.067   4.0012  -0.2694   1.2111
 FVM  C25  C   CR6   0   0.498   4.4732  -1.5601   1.0193
 FVM  C3   C   CR6   0   0.166   2.6639  -0.5702  -0.7902
 FVM  C9   C   CR6   0  -0.050  -1.5859  -2.9595  -0.8489
 FVM  N2   N   N     0  -0.300  -5.3384   0.7331   1.9570
 FVM  N4   N   N     0  -0.524   0.4940   2.4448  -0.4828
 FVM  N5   N   N     0  -0.609   1.5230   6.3009  -1.6098
 FVM  CL   CL  CL    0  -0.143  -1.6538  -4.6418  -1.2843
 FVM  H1   H   HNR5  0   0.412  -5.6531  -0.3870   3.6195
 FVM  H2   H   HCH2  0   0.296   1.5518  -0.7234  -2.6187
 FVM  H3   H   HCH2  0   0.305   1.9987   0.9041  -2.2093
 FVM  H4   H   HCR6  0   0.260  -3.4195  -3.0720   0.2503
 FVM  H5   H   HCR6  0   0.278   0.2603  -2.6288  -1.9171
 FVM  H6   H   H     0   0.248  -0.0406   3.8336   1.0764
 FVM  H7   H   H     0   0.246  -1.2253   3.7013  -0.2446
 FVM  H8   H   H     0   0.224  -0.0205   5.3913  -2.8460
 FVM  H9   H   H     0   0.222  -0.6238   6.1447  -1.3534
 FVM  H10  H   H     0   0.255   0.7424   2.9723  -2.5568
 FVM  H11  H   H     0   0.250   2.2563   2.9928  -1.6139
 FVM  H12  H   HCR6  0   0.255   2.7045   1.2176   0.4063
 FVM  H13  H   HCH3  0   0.252   4.1649   0.1166   3.3237
 FVM  H14  H   HCH3  0   0.251   5.5461   0.6675   2.3882
 FVM  H15  H   HCH3  0   0.249   4.0287   1.5577   2.3231
 FVM  H16  H   HCH3  0   0.251   4.4515  -4.3752   0.7088
 FVM  H17  H   HCH3  0   0.250   4.1939  -4.2680  -1.0288
 FVM  H18  H   HCH3  0   0.252   5.7241  -3.7526  -0.3294
 FVM  H19  H   HCH3  0   0.235  -4.4202   1.0300  -1.1199
 FVM  H20  H   HCH3  0   0.241  -5.3159   2.1997  -0.1462
 FVM  H21  H   HCH3  0   0.256  -3.5449   2.1791  -0.1286
 FVM  H22  H   HCH3  0   0.259  -4.2238  -3.2036   2.7739
 FVM  H23  H   HCH3  0   0.257  -2.6316  -2.4882   2.9783
 FVM  H24  H   HCH3  0   0.261  -3.8888  -2.2015   4.1820
 FVM  H25  H   H     0   0.221   1.4953   5.9173   0.5215
 FVM  H26  H   H     0   0.223   2.8104   5.0889  -0.3411
 FVM  H27  H   HCR6  0   0.257   2.8435  -2.4724  -1.7603
 FVM  H28  H   H     0   0.345   1.4622   7.2922  -1.4187
 FVM  C14  C   CH3   0  -0.753  -4.4380   1.5555  -0.1641
 FVM  F    F   F     0  -0.310   5.3613  -2.0443   1.9091
 FVM  C24  C   CH3   0  -0.716   4.4611   0.5600   2.3719
 FVM  C    C   CH3   0  -0.717   4.6443  -3.7657  -0.1746

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
 FVM  C    C1   single    1.499  0.020  1.499
 FVM  N5   C19  single    1.470  0.020  1.470
 FVM  N5   C20  single    1.471  0.020  1.471
 FVM  C19  C18  single    1.532  0.020  1.532
 FVM  F    C25  single    1.347  0.020  1.347
 FVM  C1   C25  aromatic  1.384  0.020  1.384
 FVM  C1   C2   aromatic  1.393  0.020  1.393
 FVM  C25  C23  aromatic  1.388  0.020  1.388
 FVM  C20  C18  single    1.528  0.020  1.528
 FVM  C18  C17  single    1.529  0.020  1.529
 FVM  C18  C21  single    1.536  0.020  1.536
 FVM  C2   C3   aromatic  1.388  0.020  1.388
 FVM  C17  N4   single    1.462  0.020  1.462
 FVM  C23  C24  single    1.499  0.020  1.499
 FVM  C23  C22  aromatic  1.389  0.020  1.389
 FVM  C3   C22  aromatic  1.392  0.020  1.392
 FVM  C3   C4   single    1.507  0.020  1.507
 FVM  C21  N4   single    1.469  0.020  1.469
 FVM  N4   C5   single    1.351  0.020  1.351
 FVM  C4   N    single    1.451  0.020  1.451
 FVM  C5   N    aromatic  1.372  0.020  1.372
 FVM  C5   N1   aromatic  1.309  0.020  1.309
 FVM  N    C11  aromatic  1.378  0.020  1.378
 FVM  N1   C6   aromatic  1.371  0.020  1.371
 FVM  C11  C6   aromatic  1.404  0.020  1.404
 FVM  C11  C10  aromatic  1.383  0.020  1.383
 FVM  C16  C15  single    1.486  0.020  1.486
 FVM  C6   C7   aromatic  1.397  0.020  1.397
 FVM  C10  C9   aromatic  1.387  0.020  1.387
 FVM  C15  N3   aromatic  1.342  0.020  1.342
 FVM  C15  C12  aromatic  1.385  0.020  1.385
 FVM  C7   C12  single    1.462  0.020  1.462
 FVM  C7   C8   aromatic  1.397  0.020  1.397
 FVM  N3   N2   aromatic  1.333  0.020  1.333
 FVM  C12  C13  aromatic  1.417  0.020  1.417
 FVM  C9   C8   aromatic  1.392  0.020  1.392
 FVM  C9   CL   single    1.739  0.020  1.739
 FVM  N2   C13  aromatic  1.320  0.020  1.320
 FVM  C13  C14  single    1.489  0.020  1.489
 FVM  N3   H1   single    0.860  0.020  1.020
 FVM  C4   H2   single    0.970  0.020  1.090
 FVM  C4   H3   single    0.970  0.020  1.090
 FVM  C8   H4   single    0.930  0.020  1.080
 FVM  C10  H5   single    0.930  0.020  1.080
 FVM  C17  H6   single    0.970  0.020  1.090
 FVM  C17  H7   single    0.970  0.020  1.090
 FVM  C20  H8   single    0.970  0.020  1.090
 FVM  C20  H9   single    0.970  0.020  1.090
 FVM  C21  H10  single    0.970  0.020  1.090
 FVM  C21  H11  single    0.970  0.020  1.090
 FVM  C22  H12  single    0.930  0.020  1.080
 FVM  C24  H13  single    0.970  0.020  1.090
 FVM  C24  H14  single    0.970  0.020  1.090
 FVM  C24  H15  single    0.970  0.020  1.090
 FVM  C    H16  single    0.970  0.020  1.090
 FVM  C    H17  single    0.970  0.020  1.090
 FVM  C    H18  single    0.970  0.020  1.090
 FVM  C14  H19  single    0.970  0.020  1.090
 FVM  C14  H20  single    0.970  0.020  1.090
 FVM  C14  H21  single    0.970  0.020  1.090
 FVM  C16  H22  single    0.970  0.020  1.090
 FVM  C16  H23  single    0.970  0.020  1.090
 FVM  C16  H24  single    0.970  0.020  1.090
 FVM  C19  H25  single    0.970  0.020  1.090
 FVM  C19  H26  single    0.970  0.020  1.090
 FVM  C2   H27  single    0.930  0.020  1.080
 FVM  N5   H28  single    0.890  0.020  1.040

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
 FVM  C6   N1   C5   105.20  3.000
 FVM  H1   N3   N2   119.60  3.000
 FVM  H1   N3   C15  126.81  3.000
 FVM  N2   N3   C15  113.59  3.000
 FVM  H3   C4   H2   105.72  3.000
 FVM  H3   C4   C3   110.99  3.000
 FVM  H2   C4   C3   110.31  3.000
 FVM  H3   C4   N    109.15  3.000
 FVM  H2   C4   N    107.96  3.000
 FVM  C3   C4   N    112.45  3.000
 FVM  N4   C5   N    123.41  3.000
 FVM  N    C5   N1   113.39  3.000
 FVM  N4   C5   N1   123.16  3.000
 FVM  C11  C6   C7   120.16  3.000
 FVM  C7   C6   N1   129.83  3.000
 FVM  C11  C6   N1   110.01  3.000
 FVM  C12  C7   C8   120.79  3.000
 FVM  C8   C7   C6   116.92  3.000
 FVM  C12  C7   C6   122.27  3.000
 FVM  H4   C8   C9   119.35  3.000
 FVM  H4   C8   C7   119.32  3.000
 FVM  C9   C8   C7   121.32  3.000
 FVM  H5   C10  C9   121.52  3.000
 FVM  H5   C10  C11  123.02  3.000
 FVM  C9   C10  C11  115.46  3.000
 FVM  N2   C13  C14  121.05  3.000
 FVM  C14  C13  C12  128.28  3.000
 FVM  N2   C13  C12  110.65  3.000
 FVM  C16  C15  C12  131.42  3.000
 FVM  C12  C15  N3   105.63  3.000
 FVM  C16  C15  N3   122.96  3.000
 FVM  H7   C17  H6   108.98  3.000
 FVM  H7   C17  N4   113.13  3.000
 FVM  H6   C17  N4   114.37  3.000
 FVM  H7   C17  C18  113.60  3.000
 FVM  H6   C17  C18  116.79  3.000
 FVM  N4   C17  C18   88.95  3.000
 FVM  H9   C20  H8   108.54  3.000
 FVM  H9   C20  N5   114.44  3.000
 FVM  H8   C20  N5   115.40  3.000
 FVM  H9   C20  C18  111.55  3.000
 FVM  H8   C20  C18  117.04  3.000
 FVM  N5   C20  C18   88.98  3.000
 FVM  H11  C21  H10  109.32  3.000
 FVM  H11  C21  N4   114.56  3.000
 FVM  H10  C21  N4   113.57  3.000
 FVM  H11  C21  C18  116.03  3.000
 FVM  H10  C21  C18  113.79  3.000
 FVM  N4   C21  C18   88.43  3.000
 FVM  H12  C22  C3   120.17  3.000
 FVM  H12  C22  C23  118.40  3.000
 FVM  C3   C22  C23  121.43  3.000
 FVM  C11  N    C5   105.90  3.000
 FVM  C11  N    C4   123.83  3.000
 FVM  C5   N    C4   128.75  3.000
 FVM  C25  C1   C2   116.70  3.000
 FVM  C2   C1   C    121.97  3.000
 FVM  C25  C1   C    121.33  3.000
 FVM  N    C11  C10  131.13  3.000
 FVM  C10  C11  C6   123.38  3.000
 FVM  N    C11  C6   105.48  3.000
 FVM  C15  C12  C13  104.78  3.000
 FVM  C13  C12  C7   128.78  3.000
 FVM  C15  C12  C7   126.43  3.000
 FVM  H24  C16  H23  108.13  3.000
 FVM  H24  C16  H22  107.65  3.000
 FVM  H23  C16  H22  107.43  3.000
 FVM  H24  C16  C15  111.41  3.000
 FVM  H23  C16  C15  110.46  3.000
 FVM  H22  C16  C15  111.60  3.000
 FVM  C19  C18  C21  118.83  3.000
 FVM  C21  C18  C20  120.30  3.000
 FVM  C19  C18  C20   85.92  3.000
 FVM  C21  C18  C17   87.90  3.000
 FVM  C20  C18  C17  124.74  3.000
 FVM  C19  C18  C17  123.10  3.000
 FVM  H26  C19  H25  108.57  3.000
 FVM  H26  C19  N5   115.40  3.000
 FVM  H25  C19  N5   114.33  3.000
 FVM  H26  C19  C18  117.29  3.000
 FVM  H25  C19  C18  111.48  3.000
 FVM  N5   C19  C18   88.85  3.000
 FVM  H27  C2   C3   119.66  3.000
 FVM  H27  C2   C1   118.69  3.000
 FVM  C3   C2   C1   121.65  3.000
 FVM  C25  C23  C24  121.16  3.000
 FVM  C24  C23  C22  121.94  3.000
 FVM  C25  C23  C22  116.91  3.000
 FVM  F    C25  C23  117.86  3.000
 FVM  C23  C25  C1   124.20  3.000
 FVM  F    C25  C1   117.95  3.000
 FVM  C2   C3   C22  119.11  3.000
 FVM  C22  C3   C4   120.57  3.000
 FVM  C2   C3   C4   120.32  3.000
 FVM  CL   C9   C10  118.58  3.000
 FVM  CL   C9   C8   118.67  3.000
 FVM  C10  C9   C8   122.75  3.000
 FVM  C13  N2   N3   105.35  3.000
 FVM  C21  N4   C17   93.05  3.000
 FVM  C21  N4   C5   128.79  3.000
 FVM  C17  N4   C5   122.05  3.000
 FVM  H28  N5   C19  114.76  3.000
 FVM  H28  N5   C20  114.86  3.000
 FVM  C19  N5   C20   90.30  3.000
 FVM  H21  C14  H20  108.76  3.000
 FVM  H21  C14  H19  106.91  3.000
 FVM  H20  C14  H19  108.22  3.000
 FVM  H21  C14  C13  111.13  3.000
 FVM  H20  C14  C13  110.61  3.000
 FVM  H19  C14  C13  111.09  3.000
 FVM  H15  C24  H14  107.80  3.000
 FVM  H15  C24  H13  107.69  3.000
 FVM  H14  C24  H13  107.28  3.000
 FVM  H15  C24  C23  110.52  3.000
 FVM  H14  C24  C23  111.80  3.000
 FVM  H13  C24  C23  111.56  3.000
 FVM  H18  C    H17  107.69  3.000
 FVM  H18  C    H16  107.26  3.000
 FVM  H17  C    H16  107.74  3.000
 FVM  H18  C    C1   111.61  3.000
 FVM  H17  C    C1   110.52  3.000
 FVM  H16  C    C1   111.83  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
 FVM  CONST_01  C11  N    C5   N1      0.00   0.0  0
 FVM  CONST_02  N    C11  C6   N1      0.00   0.0  0
 FVM  CONST_03  C10  C11  C6   N1    180.00   0.0  0
 FVM  CONST_04  C12  C7   C6   N1      0.00   0.0  0
 FVM  CONST_05  C8   C7   C6   N1    180.00   0.0  0
 FVM  CONST_06  C7   C12  C15  N3    180.00   0.0  0
 FVM  CONST_07  C13  C12  C15  N3      0.00   0.0  0
 FVM  CONST_08  C12  C13  N2   N3      0.00   0.0  0
 FVM  CONST_09  C6   C11  N    C5      0.00   0.0  0
 FVM  CONST_10  C10  C11  N    C5    180.00   0.0  0
 FVM  CONST_11  C11  C6   N1   C5      0.00   0.0  0
 FVM  CONST_12  C7   C6   N1   C5    180.00   0.0  0
 FVM  CONST_13  N    C5   N1   C6      0.00   0.0  0
 FVM  CONST_14  C9   C10  C11  C6      0.00   0.0  0
 FVM  CONST_17  C9   C8   C7   C6      0.00   0.0  0
 FVM  CONST_18  N    C11  C6   C7    180.00   0.0  0
 FVM  CONST_19  C10  C11  C6   C7      0.00   0.0  0
 FVM  CONST_20  N2   C13  C12  C7    180.00   0.0  0
 FVM  CONST_21  C10  C9   C8   C7      0.00   0.0  0
 FVM  CONST_22  C11  C6   C7   C8      0.00   0.0  0
 FVM  CONST_25  C11  C10  C9   C8      0.00   0.0  0
 FVM  CONST_26  C15  N3   N2   C13     0.00   0.0  0
 FVM  CONST_27  N2   C13  C12  C15     0.00   0.0  0
 FVM  CONST_28  C1   C25  C23  C22     0.00   0.0  0
 FVM  CONST_29  C1   C2   C3   C22     0.00   0.0  0
 FVM  CONST_30  C9   C10  C11  N     180.00   0.0  0
 FVM  CONST_31  C12  C7   C6   C11   180.00   0.0  0
 FVM  CONST_32  N2   N3   C15  C12     0.00   0.0  0
 FVM  CONST_33  C9   C8   C7   C12   180.00   0.0  0
 FVM  CONST_34  C23  C25  C1   C2      0.00   0.0  0
 FVM  CONST_35  C23  C22  C3   C2      0.00   0.0  0
 FVM  CONST_36  C3   C2   C1   C25     0.00   0.0  0
 FVM  CONST_37  C3   C22  C23  C25     0.00   0.0  0
 FVM  CONST_38  N4   C5   N1   C6    180.00   0.0  0
 FVM  CONST_39  N4   C5   N    C11   180.00   0.0  0
 FVM  CONST_40  C4   N    C5   N1    180.00   0.0  0
 FVM  CONST_41  C14  C13  N2   N3    180.00   0.0  0
 FVM  CONST_42  C1   C2   C3   C4    180.00   0.0  0
 FVM  CONST_43  C23  C22  C3   C4    180.00   0.0  0
 FVM  CONST_44  N4   C5   N    C4      0.00   0.0  0
 FVM  CONST_45  C6   C11  N    C4    180.00   0.0  0
 FVM  CONST_46  C10  C11  N    C4      0.00   0.0  0
 FVM  CONST_47  C16  C15  C12  C7      0.00   0.0  0
 FVM  CONST_48  C14  C13  C12  C7      0.00   0.0  0
 FVM  CONST_49  CL   C9   C8   C7    180.00   0.0  0
 FVM  CONST_50  C16  C15  C12  C13   180.00   0.0  0
 FVM  CONST_51  C14  C13  C12  C15   180.00   0.0  0
 FVM  CONST_52  F    C25  C23  C22   180.00   0.0  0
 FVM  CONST_53  C1   C25  C23  C24   180.00   0.0  0
 FVM  CONST_54  C3   C22  C23  C24   180.00   0.0  0
 FVM  CONST_55  C23  C25  C1   C     180.00   0.0  0
 FVM  CONST_56  C3   C2   C1   C     180.00   0.0  0
 FVM  CONST_57  CL   C9   C10  C11   180.00   0.0  0
 FVM  CONST_58  N2   N3   C15  C16   180.00   0.0  0
 FVM  CONST_59  F    C25  C1   C2    180.00   0.0  0
 FVM  CONST_60  H5   C10  C11  C6    180.00   0.0  0
 FVM  CONST_61  H4   C8   C7   C6    180.00   0.0  0
 FVM  CONST_62  H1   N3   N2   C13   180.00   0.0  0
 FVM  CONST_63  H27  C2   C3   C22   180.00   0.0  0
 FVM  CONST_64  H12  C22  C3   C2    180.00   0.0  0
 FVM  Var_01    C17  N4   C5   N1    -14.63  30.0  1
 FVM  Var_02    C18  C17  N4   C5   -150.68  30.0  1
 FVM  Var_03    C18  C21  N4   C5    146.41  30.0  1
 FVM  Var_04    N5   C19  C18  C17  -147.42  30.0  1
 FVM  Var_05    N5   C20  C18  C17   146.04  30.0  1
 FVM  Var_06    N4   C21  C18  C17    -9.51  30.0  3
 FVM  Var_07    C18  C19  N5   C20    18.63  30.0  1
 FVM  Var_08    N4   C17  C18  C20   135.64  30.0  3
 FVM  Var_09    C3   C4   N    C5     87.00  30.0  3
 FVM  Var_10    N    C4   C3   C22   -67.31  30.0  2
 FVM  Var_11    H22  C16  C15  N3     92.67  30.0  2
 FVM  Var_12    H13  C24  C23  C22   116.50  30.0  2
 FVM  Var_13    H19  C14  C13  C12    47.02  30.0  2
 FVM  Var_14    H16  C    C1   C2   -122.42  30.0  2

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
 FVM  plan-1  N3   0.020
 FVM  plan-1  C7   0.020
 FVM  plan-1  C13  0.020
 FVM  plan-1  C15  0.020
 FVM  plan-1  C12  0.020
 FVM  plan-1  C16  0.020
 FVM  plan-1  N2   0.020
 FVM  plan-1  H1   0.020
 FVM  plan-1  C14  0.020
 FVM  plan-2  C4   0.020
 FVM  plan-2  C22  0.020
 FVM  plan-2  C1   0.020
 FVM  plan-2  C2   0.020
 FVM  plan-2  C23  0.020
 FVM  plan-2  C25  0.020
 FVM  plan-2  C3   0.020
 FVM  plan-2  H12  0.020
 FVM  plan-2  H27  0.020
 FVM  plan-2  F    0.020
 FVM  plan-2  C24  0.020
 FVM  plan-2  C    0.020
 FVM  plan-3  N1   0.020
 FVM  plan-3  C4   0.020
 FVM  plan-3  C5   0.020
 FVM  plan-3  C6   0.020
 FVM  plan-3  C7   0.020
 FVM  plan-3  C8   0.020
 FVM  plan-3  C10  0.020
 FVM  plan-3  N    0.020
 FVM  plan-3  C11  0.020
 FVM  plan-3  C12  0.020
 FVM  plan-3  C9   0.020
 FVM  plan-3  N4   0.020
 FVM  plan-3  CL   0.020
 FVM  plan-3  H4   0.020
 FVM  plan-3  H5   0.020

