# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun May  3 02:12:06 2020
#   Inital geometry file: a 145 line input string
#   Ligand name: 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-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)N5CCNCC5
#
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
 FVJ  FVJ  6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole  ligand  61  33  .  2021-08-09  2021-08-09  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_FVJ
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
 FVJ  N1   N   N     0  -0.483   1.1491   1.3213  -0.1689
 FVJ  N3   N   NR15  0  -0.485   5.0394   0.5610   2.6170
 FVJ  C4   C   CH2   0  -0.452  -1.7302  -0.0617  -1.8673
 FVJ  C5   C   CR5   0   0.684   0.0361   1.4344  -0.8393
 FVJ  C6   C   CR56  0   0.107   1.4847  -0.0067  -0.2421
 FVJ  C7   C   CR6   0  -0.023   2.5832  -0.6794   0.3009
 FVJ  C8   C   CR16  0  -0.317   2.6495  -2.0546   0.0805
 FVJ  C10  C   CR16  0  -0.286   0.5766  -2.0694  -1.2093
 FVJ  C13  C   CR5   0   0.241   4.3656   1.1584   0.7095
 FVJ  C15  C   CR5   0   0.386   4.0916  -0.3427   2.3231
 FVJ  C17  C   CH2   0  -0.298  -0.4525   3.6278  -0.0041
 FVJ  C20  C   CH2   0  -0.325  -0.8040   3.1373  -2.3454
 FVJ  C21  C   CR16  0  -0.349  -3.1068   0.3385   0.1956
 FVJ  C22  C   CR6   0  -0.065  -3.9401  -0.0804   1.2249
 FVJ  C24  C   CR6   0   0.499  -4.2977  -1.4211   1.2349
 FVJ  N    N   NR5   0  -0.554  -0.3995   0.2436  -1.3697
 FVJ  C1   C   CR6   0  -0.072  -3.8803  -2.3450   0.2922
 FVJ  C11  C   CR56  0   0.365   0.5210  -0.7023  -0.9890
 FVJ  C12  C   CR5   0  -0.186   3.6137   0.0126   1.0732
 FVJ  C16  C   CH3   0  -0.747   3.7154  -1.4457   3.2458
 FVJ  C18  C   CH2   0  -0.302  -1.5885   4.6320  -0.0664
 FVJ  C19  C   CH2   0  -0.297  -1.9364   4.1434  -2.3802
 FVJ  C2   C   CR16  0  -0.365  -3.0423  -1.8765  -0.7170
 FVJ  C23  C   CH3   0  -0.718  -4.4385   0.8642   2.2769
 FVJ  C3   C   CR6   0   0.163  -2.6482  -0.5471  -0.7750
 FVJ  C9   C   CR6   0  -0.048   1.6638  -2.7180  -0.6488
 FVJ  N2   N   N     0  -0.297   5.2264   1.4693   1.6594
 FVJ  N4   N   NT    0  -0.544  -0.6923   2.5860  -0.9935
 FVJ  N5   N   NH1   0  -0.599  -1.6826   5.1846  -1.4036
 FVJ  CL   CL  CL    0  -0.139   1.8149  -4.4349  -0.8751
 FVJ  H1   H   HNR5  0   0.413   5.5862   0.6083   3.4620
 FVJ  H2   H   HCH2  0   0.295  -2.1407   0.8299  -2.3344
 FVJ  H3   H   HCH2  0   0.292  -1.6369  -0.8086  -2.6563
 FVJ  H4   H   HCR6  0   0.264   3.4910  -2.6153   0.4663
 FVJ  H5   H   HCR6  0   0.281  -0.1698  -2.6064  -1.7774
 FVJ  H6   H   HCH2  0   0.224   0.5054   4.1337  -0.1799
 FVJ  H7   H   HCH2  0   0.252  -0.4131   3.1777   0.9872
 FVJ  H8   H   HCH2  0   0.259  -0.9902   2.3452  -3.0696
 FVJ  H9   H   HCH2  0   0.238   0.1367   3.6253  -2.6336
 FVJ  H10  H   HCR6  0   0.255  -2.8161   1.3820   0.1475
 FVJ  H11  H   HCH3  0   0.252  -5.4007  -3.8724   0.2810
 FVJ  H12  H   HCH3  0   0.249  -3.8734  -4.3522  -0.4491
 FVJ  H13  H   HCH3  0   0.251  -4.0205  -4.2445   1.3021
 FVJ  H14  H   HCH3  0   0.236   4.3055   1.2932  -1.4261
 FVJ  H15  H   HCH3  0   0.254   3.3655   2.5196  -0.6005
 FVJ  H16  H   HCH3  0   0.241   5.1328   2.6328  -0.6263
 FVJ  H17  H   HCH3  0   0.261   3.7166  -1.1108   4.2832
 FVJ  H18  H   HCH3  0   0.257   2.7193  -1.8167   3.0119
 FVJ  H19  H   HCH3  0   0.260   4.4077  -2.2858   3.1708
 FVJ  H20  H   HCH2  0   0.197  -2.5163   4.1306   0.2546
 FVJ  H21  H   HCH2  0   0.242  -1.3900   5.4357   0.6447
 FVJ  H22  H   HCH2  0   0.242  -1.9899   4.5859  -3.3763
 FVJ  H23  H   HCH2  0   0.200  -2.8838   3.6095  -2.2035
 FVJ  H24  H   HCR6  0   0.257  -2.7003  -2.5728  -1.4746
 FVJ  H25  H   HCH3  0   0.253  -4.0884   0.5804   3.2702
 FVJ  H26  H   HCH3  0   0.245  -4.0878   1.8758   2.0794
 FVJ  H27  H   HCH3  0   0.252  -5.5280   0.8919   2.3130
 FVJ  H28  H   HNH1  0   0.359  -2.4190   5.8764  -1.4395
 FVJ  C14  C   CH3   0  -0.751   4.2909   1.9458  -0.5521
 FVJ  F    F   F     0  -0.310  -5.1092  -1.8489   2.2216
 FVJ  C    C   CH3   0  -0.717  -4.3169  -3.7774   0.3620

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
 FVJ  C23  C22  single    1.499  0.020  1.499
 FVJ  N5   C18  single    1.450  0.020  1.450
 FVJ  N5   C19  single    1.450  0.020  1.450
 FVJ  F    C24  single    1.347  0.020  1.347
 FVJ  C18  C17  single    1.518  0.020  1.518
 FVJ  C22  C24  aromatic  1.388  0.020  1.388
 FVJ  C22  C21  aromatic  1.389  0.020  1.389
 FVJ  C19  C20  single    1.515  0.020  1.515
 FVJ  C24  C1   aromatic  1.384  0.020  1.384
 FVJ  C21  C3   aromatic  1.392  0.020  1.392
 FVJ  C17  N4   single    1.457  0.020  1.457
 FVJ  C1   C    single    1.499  0.020  1.499
 FVJ  C1   C2   aromatic  1.393  0.020  1.393
 FVJ  C20  N4   single    1.464  0.020  1.464
 FVJ  N4   C5   single    1.371  0.020  1.371
 FVJ  C3   C2   aromatic  1.388  0.020  1.388
 FVJ  C3   C4   single    1.507  0.020  1.507
 FVJ  C4   N    single    1.453  0.020  1.453
 FVJ  C5   N    aromatic  1.374  0.020  1.374
 FVJ  C5   N1   aromatic  1.304  0.020  1.304
 FVJ  N    C11  aromatic  1.374  0.020  1.374
 FVJ  N1   C6   aromatic  1.372  0.020  1.372
 FVJ  C14  C13  single    1.489  0.020  1.489
 FVJ  C11  C6   aromatic  1.404  0.020  1.404
 FVJ  C11  C10  aromatic  1.386  0.020  1.386
 FVJ  C6   C7   aromatic  1.398  0.020  1.398
 FVJ  C10  C9   aromatic  1.384  0.020  1.384
 FVJ  C13  N2   aromatic  1.319  0.020  1.319
 FVJ  C13  C12  aromatic  1.418  0.020  1.418
 FVJ  N2   N3   aromatic  1.333  0.020  1.333
 FVJ  C7   C12  single    1.462  0.020  1.462
 FVJ  C7   C8   aromatic  1.394  0.020  1.394
 FVJ  C12  C15  aromatic  1.384  0.020  1.384
 FVJ  C9   C8   aromatic  1.394  0.020  1.394
 FVJ  C9   CL   single    1.738  0.020  1.738
 FVJ  N3   C15  aromatic  1.342  0.020  1.342
 FVJ  C15  C16  single    1.486  0.020  1.486
 FVJ  N3   H1   single    0.860  0.020  1.020
 FVJ  C4   H2   single    0.970  0.020  1.090
 FVJ  C4   H3   single    0.970  0.020  1.090
 FVJ  C8   H4   single    0.930  0.020  1.080
 FVJ  C10  H5   single    0.930  0.020  1.080
 FVJ  C17  H6   single    0.970  0.020  1.090
 FVJ  C17  H7   single    0.970  0.020  1.090
 FVJ  C20  H8   single    0.970  0.020  1.090
 FVJ  C20  H9   single    0.970  0.020  1.090
 FVJ  C21  H10  single    0.930  0.020  1.080
 FVJ  C    H11  single    0.970  0.020  1.090
 FVJ  C    H12  single    0.970  0.020  1.090
 FVJ  C    H13  single    0.970  0.020  1.090
 FVJ  C14  H14  single    0.970  0.020  1.090
 FVJ  C14  H15  single    0.970  0.020  1.090
 FVJ  C14  H16  single    0.970  0.020  1.090
 FVJ  C16  H17  single    0.970  0.020  1.090
 FVJ  C16  H18  single    0.970  0.020  1.090
 FVJ  C16  H19  single    0.970  0.020  1.090
 FVJ  C18  H20  single    0.970  0.020  1.090
 FVJ  C18  H21  single    0.970  0.020  1.090
 FVJ  C19  H22  single    0.970  0.020  1.090
 FVJ  C19  H23  single    0.970  0.020  1.090
 FVJ  C2   H24  single    0.930  0.020  1.080
 FVJ  C23  H25  single    0.970  0.020  1.090
 FVJ  C23  H26  single    0.970  0.020  1.090
 FVJ  C23  H27  single    0.970  0.020  1.090
 FVJ  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
 FVJ  C6   N1   C5   105.39  3.000
 FVJ  H1   N3   N2   119.63  3.000
 FVJ  H1   N3   C15  126.76  3.000
 FVJ  N2   N3   C15  113.61  3.000
 FVJ  H3   C4   H2   106.45  3.000
 FVJ  H3   C4   C3   110.85  3.000
 FVJ  H2   C4   C3   110.22  3.000
 FVJ  H3   C4   N    108.26  3.000
 FVJ  H2   C4   N    108.70  3.000
 FVJ  C3   C4   N    112.16  3.000
 FVJ  N4   C5   N    121.06  3.000
 FVJ  N    C5   N1   113.18  3.000
 FVJ  N4   C5   N1   125.72  3.000
 FVJ  C11  C6   C7   120.51  3.000
 FVJ  C7   C6   N1   129.61  3.000
 FVJ  C11  C6   N1   109.88  3.000
 FVJ  C12  C7   C8   121.12  3.000
 FVJ  C8   C7   C6   116.79  3.000
 FVJ  C12  C7   C6   122.09  3.000
 FVJ  H4   C8   C9   119.32  3.000
 FVJ  H4   C8   C7   119.45  3.000
 FVJ  C9   C8   C7   121.22  3.000
 FVJ  H5   C10  C9   121.49  3.000
 FVJ  H5   C10  C11  123.09  3.000
 FVJ  C9   C10  C11  115.42  3.000
 FVJ  N2   C13  C14  121.21  3.000
 FVJ  N2   C13  C12  110.60  3.000
 FVJ  C14  C13  C12  128.17  3.000
 FVJ  C16  C15  C12  131.56  3.000
 FVJ  C16  C15  N3   122.85  3.000
 FVJ  C12  C15  N3   105.58  3.000
 FVJ  H7   C17  H6   107.74  3.000
 FVJ  H7   C17  N4   109.18  3.000
 FVJ  H6   C17  N4   111.38  3.000
 FVJ  H7   C17  C18  109.74  3.000
 FVJ  H6   C17  C18  109.99  3.000
 FVJ  N4   C17  C18  108.80  3.000
 FVJ  H9   C20  H8   107.16  3.000
 FVJ  H9   C20  N4   110.14  3.000
 FVJ  H8   C20  N4   110.67  3.000
 FVJ  H9   C20  C19  109.82  3.000
 FVJ  H8   C20  C19  109.87  3.000
 FVJ  N4   C20  C19  109.16  3.000
 FVJ  H10  C21  C3   119.56  3.000
 FVJ  H10  C21  C22  118.94  3.000
 FVJ  C3   C21  C22  121.50  3.000
 FVJ  C23  C22  C24  121.20  3.000
 FVJ  C24  C22  C21  116.83  3.000
 FVJ  C23  C22  C21  121.97  3.000
 FVJ  F    C24  C1   117.93  3.000
 FVJ  C1   C24  C22  124.21  3.000
 FVJ  F    C24  C22  117.86  3.000
 FVJ  C11  N    C5   106.10  3.000
 FVJ  C11  N    C4   124.32  3.000
 FVJ  C5   N    C4   127.19  3.000
 FVJ  C2   C1   C    122.03  3.000
 FVJ  C2   C1   C24  116.76  3.000
 FVJ  C    C1   C24  121.21  3.000
 FVJ  N    C11  C10  131.46  3.000
 FVJ  C10  C11  C6   123.08  3.000
 FVJ  N    C11  C6   105.45  3.000
 FVJ  C15  C12  C13  104.83  3.000
 FVJ  C15  C12  C7   126.78  3.000
 FVJ  C13  C12  C7   128.37  3.000
 FVJ  H19  C16  H18  107.66  3.000
 FVJ  H19  C16  H17  107.53  3.000
 FVJ  H18  C16  H17  108.07  3.000
 FVJ  H19  C16  C15  111.60  3.000
 FVJ  H18  C16  C15  110.56  3.000
 FVJ  H17  C16  C15  111.26  3.000
 FVJ  H21  C18  H20  107.36  3.000
 FVJ  H21  C18  N5   109.39  3.000
 FVJ  H20  C18  N5   112.78  3.000
 FVJ  H21  C18  C17  108.93  3.000
 FVJ  H20  C18  C17  108.49  3.000
 FVJ  N5   C18  C17  109.79  3.000
 FVJ  H23  C19  H22  107.50  3.000
 FVJ  H23  C19  N5   112.99  3.000
 FVJ  H22  C19  N5   109.41  3.000
 FVJ  H23  C19  C20  108.49  3.000
 FVJ  H22  C19  C20  109.07  3.000
 FVJ  N5   C19  C20  109.30  3.000
 FVJ  H24  C2   C3   119.76  3.000
 FVJ  H24  C2   C1   118.68  3.000
 FVJ  C3   C2   C1   121.56  3.000
 FVJ  H27  C23  H26  107.71  3.000
 FVJ  H27  C23  H25  107.28  3.000
 FVJ  H26  C23  H25  107.67  3.000
 FVJ  H27  C23  C22  111.81  3.000
 FVJ  H26  C23  C22  110.55  3.000
 FVJ  H25  C23  C22  111.62  3.000
 FVJ  C2   C3   C21  119.14  3.000
 FVJ  C2   C3   C4   120.79  3.000
 FVJ  C21  C3   C4   120.08  3.000
 FVJ  CL   C9   C10  118.57  3.000
 FVJ  CL   C9   C8   118.46  3.000
 FVJ  C10  C9   C8   122.96  3.000
 FVJ  C13  N2   N3   105.38  3.000
 FVJ  C20  N4   C17  111.74  3.000
 FVJ  C20  N4   C5   117.42  3.000
 FVJ  C17  N4   C5   115.90  3.000
 FVJ  H28  N5   C19  109.87  3.000
 FVJ  H28  N5   C18  109.93  3.000
 FVJ  C19  N5   C18  111.03  3.000
 FVJ  H16  C14  H15  108.73  3.000
 FVJ  H16  C14  H14  108.20  3.000
 FVJ  H15  C14  H14  106.90  3.000
 FVJ  H16  C14  C13  110.64  3.000
 FVJ  H15  C14  C13  111.02  3.000
 FVJ  H14  C14  C13  111.21  3.000
 FVJ  H13  C    H12  107.78  3.000
 FVJ  H13  C    H11  107.26  3.000
 FVJ  H12  C    H11  107.67  3.000
 FVJ  H13  C    C1   111.72  3.000
 FVJ  H12  C    C1   110.56  3.000
 FVJ  H11  C    C1   111.66  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
 FVJ  CONST_01  C11  N    C5   N1      0.00   0.0  0
 FVJ  CONST_02  N    C11  C6   N1      0.00   0.0  0
 FVJ  CONST_03  C10  C11  C6   N1    180.00   0.0  0
 FVJ  CONST_04  C12  C7   C6   N1      0.00   0.0  0
 FVJ  CONST_05  C8   C7   C6   N1    180.00   0.0  0
 FVJ  CONST_06  C12  C13  N2   N3      0.00   0.0  0
 FVJ  CONST_07  C13  C12  C15  N3      0.00   0.0  0
 FVJ  CONST_08  C7   C12  C15  N3    180.00   0.0  0
 FVJ  CONST_09  C6   C11  N    C5      0.00   0.0  0
 FVJ  CONST_10  C10  C11  N    C5    180.00   0.0  0
 FVJ  CONST_11  C11  C6   N1   C5      0.00   0.0  0
 FVJ  CONST_12  C7   C6   N1   C5    180.00   0.0  0
 FVJ  CONST_13  N    C5   N1   C6      0.00   0.0  0
 FVJ  CONST_14  C9   C10  C11  C6      0.00   0.0  0
 FVJ  CONST_17  C9   C8   C7   C6      0.00   0.0  0
 FVJ  CONST_18  N    C11  C6   C7    180.00   0.0  0
 FVJ  CONST_19  C10  C11  C6   C7      0.00   0.0  0
 FVJ  CONST_20  N2   C13  C12  C7    180.00   0.0  0
 FVJ  CONST_21  C10  C9   C8   C7      0.00   0.0  0
 FVJ  CONST_22  C11  C6   C7   C8      0.00   0.0  0
 FVJ  CONST_25  C11  C10  C9   C8      0.00   0.0  0
 FVJ  CONST_26  C15  N3   N2   C13     0.00   0.0  0
 FVJ  CONST_27  N2   C13  C12  C15     0.00   0.0  0
 FVJ  CONST_28  C1   C24  C22  C21     0.00   0.0  0
 FVJ  CONST_29  C1   C2   C3   C21     0.00   0.0  0
 FVJ  CONST_30  C2   C1   C24  C22     0.00   0.0  0
 FVJ  CONST_31  C2   C3   C21  C22     0.00   0.0  0
 FVJ  CONST_32  C3   C21  C22  C24     0.00   0.0  0
 FVJ  CONST_33  C3   C2   C1   C24     0.00   0.0  0
 FVJ  CONST_34  C9   C10  C11  N     180.00   0.0  0
 FVJ  CONST_35  C12  C7   C6   C11   180.00   0.0  0
 FVJ  CONST_36  C9   C8   C7   C12   180.00   0.0  0
 FVJ  CONST_37  N2   N3   C15  C12     0.00   0.0  0
 FVJ  CONST_38  N4   C5   N1   C6    180.00   0.0  0
 FVJ  CONST_39  N4   C5   N    C11   180.00   0.0  0
 FVJ  CONST_41  C14  C13  N2   N3    180.00   0.0  0
 FVJ  CONST_42  C22  C21  C3   C4    180.00   0.0  0
 FVJ  CONST_43  C1   C2   C3   C4    180.00   0.0  0
 FVJ  CONST_44  N4   C5   N    C4      0.00   0.0  0
 FVJ  CONST_46  C10  C11  N    C4      0.00   0.0  0
 FVJ  CONST_47  C14  C13  C12  C7      0.00   0.0  0
 FVJ  CONST_48  C16  C15  C12  C7      0.00   0.0  0
 FVJ  CONST_49  CL   C9   C8   C7    180.00   0.0  0
 FVJ  CONST_50  C16  C15  C12  C13   180.00   0.0  0
 FVJ  CONST_51  C14  C13  C12  C15   180.00   0.0  0
 FVJ  CONST_52  F    C24  C22  C21   180.00   0.0  0
 FVJ  CONST_53  C    C1   C24  C22   180.00   0.0  0
 FVJ  CONST_54  C3   C2   C1   C     180.00   0.0  0
 FVJ  CONST_55  C23  C22  C24  C1    180.00   0.0  0
 FVJ  CONST_56  CL   C9   C10  C11   180.00   0.0  0
 FVJ  CONST_57  N2   N3   C15  C16   180.00   0.0  0
 FVJ  CONST_58  F    C24  C1   C2    180.00   0.0  0
 FVJ  CONST_59  C3   C21  C22  C23   180.00   0.0  0
 FVJ  CONST_60  H5   C10  C11  C6    180.00   0.0  0
 FVJ  CONST_61  H4   C8   C7   C6    180.00   0.0  0
 FVJ  CONST_62  H1   N3   N2   C13   180.00   0.0  0
 FVJ  CONST_63  H24  C2   C3   C21   180.00   0.0  0
 FVJ  CONST_64  H10  C21  C22  C24   180.00   0.0  0
 FVJ  Var_01    C17  N4   C5   N1    -20.80  30.0  1
 FVJ  Var_02    C18  C17  N4   C5   -163.67  30.0  1
 FVJ  Var_03    C19  C20  N4   C5    164.01  30.0  1
 FVJ  Var_04    C19  N5   C18  C17    60.08  30.0  1
 FVJ  Var_05    C18  N5   C19  C20   -59.93  30.0  1
 FVJ  Var_06    N5   C18  C17  N4    -57.88  30.0  1
 FVJ  Var_07    N5   C19  C20  N4     57.93  30.0  1
 FVJ  Var_08    C3   C4   N    C5    -87.24  30.0  2
 FVJ  Var_09    N    C4   C3   C21    71.08  30.0  2
 FVJ  Var_10    H17  C16  C15  N3     38.51  30.0  2
 FVJ  Var_11    H25  C23  C22  C21  -117.62  30.0  2
 FVJ  Var_12    H11  C    C1   C24    61.27  30.0  2
 FVJ  Var_13    H14  C14  C13  C12   -47.58  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
 FVJ  plan-1  N3   0.020
 FVJ  plan-1  C7   0.020
 FVJ  plan-1  C13  0.020
 FVJ  plan-1  C15  0.020
 FVJ  plan-1  C12  0.020
 FVJ  plan-1  C16  0.020
 FVJ  plan-1  N2   0.020
 FVJ  plan-1  H1   0.020
 FVJ  plan-1  C14  0.020
 FVJ  plan-2  C4   0.020
 FVJ  plan-2  C21  0.020
 FVJ  plan-2  C22  0.020
 FVJ  plan-2  C24  0.020
 FVJ  plan-2  C1   0.020
 FVJ  plan-2  C2   0.020
 FVJ  plan-2  C23  0.020
 FVJ  plan-2  C3   0.020
 FVJ  plan-2  H10  0.020
 FVJ  plan-2  H24  0.020
 FVJ  plan-2  F    0.020
 FVJ  plan-2  C    0.020
 FVJ  plan-3  N1   0.020
 FVJ  plan-3  C4   0.020
 FVJ  plan-3  C5   0.020
 FVJ  plan-3  C6   0.020
 FVJ  plan-3  C7   0.020
 FVJ  plan-3  C8   0.020
 FVJ  plan-3  C10  0.020
 FVJ  plan-3  N    0.020
 FVJ  plan-3  C11  0.020
 FVJ  plan-3  C12  0.020
 FVJ  plan-3  C9   0.020
 FVJ  plan-3  N4   0.020
 FVJ  plan-3  CL   0.020
 FVJ  plan-3  H4   0.020
 FVJ  plan-3  H5   0.020

