# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun May  3 01:00:31 2020
#   Inital geometry file: a 149 line input string
#   Ligand name: 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1cc(Cn2c3cc(Cl)cc(N4CCC[C@H]4CN)c3nc2N5CCNCC5)cc(C)c1F
#
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
 FVG  FVG  1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine  ligand  65  33  .  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_FVG
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
 FVG  N1   N   N     0  -0.472  -0.8804   1.5712   0.0093
 FVG  N3   N   NH2   0  -0.786  -5.5381   0.0194  -1.5432
 FVG  C4   C   CH2   0  -0.448   1.9566   0.2700  -1.8073
 FVG  C5   C   CR5   0   0.676   0.2987   1.6827  -0.5269
 FVG  C6   C   CR56  0   0.049  -1.3585   0.3464  -0.4029
 FVG  C7   C   CR6   0   0.350  -2.6005  -0.2697  -0.1338
 FVG  C8   C   CR16  0  -0.343  -2.8174  -1.4967  -0.7787
 FVG  C10  C   CR16  0  -0.330  -0.6243  -1.4902  -1.8722
 FVG  C13  C   CH2   0  -0.454  -3.9814   0.5030   2.9885
 FVG  C15  C   CR15  0  -0.073  -4.8851  -0.1769   0.8508
 FVG  C17  C   CH2   0  -0.292   1.0472   3.4665   0.8905
 FVG  C20  C   CH2   0  -0.319   1.3396   3.6224  -1.5062
 FVG  C21  C   CR16  0  -0.363   2.8936  -1.9392  -1.0476
 FVG  C22  C   CR6   0  -0.071   3.5746  -2.7455  -0.1385
 FVG  C24  C   CR6   0   0.498   4.0778  -2.1235   0.9914
 FVG  N    N   NR5   0  -0.554   0.6377   0.6035  -1.3035
 FVG  C1   C   CR6   0  -0.066   3.9461  -0.7686   1.2602
 FVG  C11  C   CR56  0   0.373  -0.4206  -0.2683  -1.2410
 FVG  C12  C   CH2   0  -0.281  -3.0992   1.0652   1.8845
 FVG  C14  C   CH2   0  -0.477  -5.2963   0.2523   2.2672
 FVG  C16  C   CH2   0  -0.269  -5.8476   0.4047  -0.1790
 FVG  C18  C   CH2   0  -0.304   2.2732   4.3420   1.0748
 FVG  C19  C   CH2   0  -0.297   2.5581   4.4983  -1.2941
 FVG  C2   C   CR16  0  -0.351   3.2603  -0.0069   0.3224
 FVG  C23  C   CH3   0  -0.717   3.7625  -4.2155  -0.3657
 FVG  C3   C   CR6   0   0.165   2.7291  -0.5780  -0.8304
 FVG  C9   C   CR6   0  -0.051  -1.8530  -2.0630  -1.6082
 FVG  N2   N   NR5   0  -0.531  -3.5143   0.3089   0.7041
 FVG  N4   N   NT    0  -0.542   1.1798   2.7291  -0.3582
 FVG  N5   N   NH1   0  -0.600   2.4050   5.2390  -0.0568
 FVG  CL   CL  CL    0  -0.149  -2.2234  -3.5969  -2.3476
 FVG  H1   H   HNH2  0   0.336  -5.6847  -0.9761  -1.6571
 FVG  H2   H   HNH2  0   0.348  -6.2007   0.4615  -2.1680
 FVG  H4   H   HCH2  0   0.288   1.8401  -0.2473  -2.7604
 FVG  H5   H   HCH2  0   0.293   2.4895   1.1940  -2.0211
 FVG  H6   H   HCR6  0   0.260  -3.7438  -2.0316  -0.6394
 FVG  H7   H   HCR6  0   0.272   0.0994  -1.9516  -2.5277
 FVG  H8   H   HCH2  0   0.230  -3.5589  -0.4343   3.3583
 FVG  H9   H   HCH2  0   0.241  -4.0794   1.1837   3.8342
 FVG  H10  H   HCR5  0   0.237  -4.9105  -1.2717   0.7904
 FVG  H11  H   HCH2  0   0.248   0.9704   2.7582   1.7156
 FVG  H12  H   HCH2  0   0.218   0.1423   4.0882   0.8989
 FVG  H13  H   HCH2  0   0.231   0.4478   4.2527  -1.6294
 FVG  H14  H   HCH2  0   0.254   1.4557   3.0407  -2.4207
 FVG  H15  H   HCR6  0   0.255   2.4894  -2.3951  -1.9444
 FVG  H16  H   HCH3  0   0.252   5.6007  -0.3129   2.5669
 FVG  H17  H   HCH3  0   0.245   4.3312   0.9054   2.5366
 FVG  H18  H   HCH3  0   0.252   4.0848  -0.6047   3.4046
 FVG  H19  H   HCH2  0   0.216  -3.2714   2.1384   1.7538
 FVG  H20  H   HCH2  0   0.252  -2.0397   0.9315   2.0864
 FVG  H21  H   HCH2  0   0.251  -5.9178  -0.5009   2.7504
 FVG  H22  H   HCH2  0   0.231  -5.8817   1.1753   2.2239
 FVG  H23  H   HCH2  0   0.213  -5.7929   1.4949  -0.1089
 FVG  H24  H   HCH2  0   0.196  -6.8637   0.1253   0.1388
 FVG  H25  H   HCH2  0   0.241   2.1607   4.9274   1.9890
 FVG  H26  H   HCH2  0   0.195   3.1530   3.6913   1.2071
 FVG  H27  H   HCH2  0   0.198   3.4558   3.8598  -1.3051
 FVG  H28  H   HCH2  0   0.240   2.6430   5.1983  -2.1271
 FVG  H29  H   HCR6  0   0.256   3.1391   1.0569   0.4963
 FVG  H30  H   HCH3  0   0.251   3.3689  -4.8078   0.4612
 FVG  H31  H   HCH3  0   0.249   3.2503  -4.5300  -1.2731
 FVG  H32  H   HCH3  0   0.252   4.8174  -4.4725  -0.4737
 FVG  H33  H   HNH1  0   0.358   3.1987   5.8509   0.0778
 FVG  F    F   F     0  -0.310   4.7431  -2.8808   1.8857
 FVG  C    C   CH3   0  -0.718   4.5217  -0.1661   2.5066

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
 FVG  C23  C22  single    1.499  0.020  1.499
 FVG  N5   C19  single    1.450  0.020  1.450
 FVG  N5   C18  single    1.450  0.020  1.450
 FVG  C19  C20  single    1.516  0.020  1.516
 FVG  F    C24  single    1.348  0.020  1.348
 FVG  C22  C24  aromatic  1.384  0.020  1.384
 FVG  C22  C21  aromatic  1.393  0.020  1.393
 FVG  C24  C1   aromatic  1.388  0.020  1.388
 FVG  C18  C17  single    1.518  0.020  1.518
 FVG  C20  N4   single    1.463  0.020  1.463
 FVG  C21  C3   aromatic  1.388  0.020  1.388
 FVG  C1   C    single    1.499  0.020  1.499
 FVG  C1   C2   aromatic  1.389  0.020  1.389
 FVG  C17  N4   single    1.456  0.020  1.456
 FVG  N4   C5   single    1.378  0.020  1.378
 FVG  C3   C2   aromatic  1.392  0.020  1.392
 FVG  C3   C4   single    1.507  0.020  1.507
 FVG  C4   N    single    1.451  0.020  1.451
 FVG  C5   N    aromatic  1.372  0.020  1.372
 FVG  C5   N1   aromatic  1.300  0.020  1.300
 FVG  N    C11  aromatic  1.373  0.020  1.373
 FVG  N1   C6   aromatic  1.378  0.020  1.378
 FVG  C11  C6   aromatic  1.400  0.020  1.400
 FVG  C11  C10  aromatic  1.390  0.020  1.390
 FVG  C6   C7   aromatic  1.412  0.020  1.412
 FVG  C16  N3   single    1.451  0.020  1.451
 FVG  C16  C15  single    1.525  0.020  1.525
 FVG  C10  C9   aromatic  1.381  0.020  1.381
 FVG  C15  N2   single    1.462  0.020  1.462
 FVG  C15  C14  single    1.536  0.020  1.536
 FVG  C7   N2   single    1.368  0.020  1.368
 FVG  C7   C8   aromatic  1.403  0.020  1.403
 FVG  C9   C8   aromatic  1.392  0.020  1.392
 FVG  C9   CL   single    1.743  0.020  1.743
 FVG  N2   C12  single    1.462  0.020  1.462
 FVG  C14  C13  single    1.521  0.020  1.521
 FVG  C12  C13  single    1.521  0.020  1.521
 FVG  N3   H1   single    0.890  0.020  1.040
 FVG  N3   H2   single    0.890  0.020  1.040
 FVG  C4   H4   single    0.970  0.020  1.090
 FVG  C4   H5   single    0.970  0.020  1.090
 FVG  C8   H6   single    0.930  0.020  1.080
 FVG  C10  H7   single    0.930  0.020  1.080
 FVG  C13  H8   single    0.970  0.020  1.090
 FVG  C13  H9   single    0.970  0.020  1.090
 FVG  C15  H10  single    0.970  0.020  1.090
 FVG  C17  H11  single    0.970  0.020  1.090
 FVG  C17  H12  single    0.970  0.020  1.090
 FVG  C20  H13  single    0.970  0.020  1.090
 FVG  C20  H14  single    0.970  0.020  1.090
 FVG  C21  H15  single    0.930  0.020  1.080
 FVG  C    H16  single    0.970  0.020  1.090
 FVG  C    H17  single    0.970  0.020  1.090
 FVG  C    H18  single    0.970  0.020  1.090
 FVG  C12  H19  single    0.970  0.020  1.090
 FVG  C12  H20  single    0.970  0.020  1.090
 FVG  C14  H21  single    0.970  0.020  1.090
 FVG  C14  H22  single    0.970  0.020  1.090
 FVG  C16  H23  single    0.970  0.020  1.090
 FVG  C16  H24  single    0.970  0.020  1.090
 FVG  C18  H25  single    0.970  0.020  1.090
 FVG  C18  H26  single    0.970  0.020  1.090
 FVG  C19  H27  single    0.970  0.020  1.090
 FVG  C19  H28  single    0.970  0.020  1.090
 FVG  C2   H29  single    0.930  0.020  1.080
 FVG  C23  H30  single    0.970  0.020  1.090
 FVG  C23  H31  single    0.970  0.020  1.090
 FVG  C23  H32  single    0.970  0.020  1.090
 FVG  N5   H33  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
 FVG  C6   N1   C5   105.52  3.000
 FVG  H2   N3   H1   105.37  3.000
 FVG  H2   N3   C16  108.95  3.000
 FVG  H1   N3   C16  109.63  3.000
 FVG  H5   C4   H4   106.46  3.000
 FVG  H5   C4   C3   110.75  3.000
 FVG  H4   C4   C3   110.75  3.000
 FVG  H5   C4   N    108.56  3.000
 FVG  H4   C4   N    108.39  3.000
 FVG  C3   C4   N    111.74  3.000
 FVG  N4   C5   N    120.56  3.000
 FVG  N    C5   N1   112.96  3.000
 FVG  N4   C5   N1   126.47  3.000
 FVG  C11  C6   C7   120.77  3.000
 FVG  C7   C6   N1   129.49  3.000
 FVG  C11  C6   N1   109.69  3.000
 FVG  N2   C7   C8   123.24  3.000
 FVG  C8   C7   C6   115.46  3.000
 FVG  N2   C7   C6   121.30  3.000
 FVG  H6   C8   C9   118.04  3.000
 FVG  H6   C8   C7   120.47  3.000
 FVG  C9   C8   C7   121.49  3.000
 FVG  H7   C10  C9   122.35  3.000
 FVG  H7   C10  C11  123.56  3.000
 FVG  C9   C10  C11  114.08  3.000
 FVG  H9   C13  H8   107.93  3.000
 FVG  H9   C13  C14  113.16  3.000
 FVG  H8   C13  C14  110.70  3.000
 FVG  H9   C13  C12  112.61  3.000
 FVG  H8   C13  C12  109.79  3.000
 FVG  C14  C13  C12  102.60  3.000
 FVG  H10  C15  N2   110.36  3.000
 FVG  H10  C15  C16  109.21  3.000
 FVG  N2   C15  C16  113.42  3.000
 FVG  H10  C15  C14  108.87  3.000
 FVG  N2   C15  C14  104.52  3.000
 FVG  C16  C15  C14  110.31  3.000
 FVG  H12  C17  H11  107.70  3.000
 FVG  H12  C17  N4   111.61  3.000
 FVG  H11  C17  N4   109.05  3.000
 FVG  H12  C17  C18  109.77  3.000
 FVG  H11  C17  C18  109.86  3.000
 FVG  N4   C17  C18  108.82  3.000
 FVG  H14  C20  H13  107.36  3.000
 FVG  H14  C20  N4   110.12  3.000
 FVG  H13  C20  N4   110.45  3.000
 FVG  H14  C20  C19  109.89  3.000
 FVG  H13  C20  C19  109.67  3.000
 FVG  N4   C20  C19  109.32  3.000
 FVG  H15  C21  C3   119.84  3.000
 FVG  H15  C21  C22  118.60  3.000
 FVG  C3   C21  C22  121.57  3.000
 FVG  C23  C22  C24  121.24  3.000
 FVG  C24  C22  C21  116.75  3.000
 FVG  C23  C22  C21  122.01  3.000
 FVG  F    C24  C1   117.84  3.000
 FVG  C1   C24  C22  124.22  3.000
 FVG  F    C24  C22  117.94  3.000
 FVG  C11  N    C5   106.46  3.000
 FVG  C11  N    C4   124.81  3.000
 FVG  C5   N    C4   127.01  3.000
 FVG  C2   C1   C    122.03  3.000
 FVG  C2   C1   C24  116.84  3.000
 FVG  C    C1   C24  121.14  3.000
 FVG  N    C11  C10  130.58  3.000
 FVG  C10  C11  C6   124.02  3.000
 FVG  N    C11  C6   105.36  3.000
 FVG  H20  C12  H19  107.23  3.000
 FVG  H20  C12  N2   111.29  3.000
 FVG  H19  C12  N2   111.47  3.000
 FVG  H20  C12  C13  112.66  3.000
 FVG  H19  C12  C13  110.97  3.000
 FVG  N2   C12  C13  103.30  3.000
 FVG  H22  C14  H21  107.20  3.000
 FVG  H22  C14  C15  110.04  3.000
 FVG  H21  C14  C15  111.62  3.000
 FVG  H22  C14  C13  110.03  3.000
 FVG  H21  C14  C13  113.38  3.000
 FVG  C15  C14  C13  104.59  3.000
 FVG  H24  C16  H23  106.30  3.000
 FVG  H24  C16  C15  106.91  3.000
 FVG  H23  C16  C15  107.78  3.000
 FVG  H24  C16  N3   113.64  3.000
 FVG  H23  C16  N3   108.31  3.000
 FVG  C15  C16  N3   113.52  3.000
 FVG  H26  C18  H25  107.35  3.000
 FVG  H26  C18  N5   112.73  3.000
 FVG  H25  C18  N5   109.35  3.000
 FVG  H26  C18  C17  108.59  3.000
 FVG  H25  C18  C17  109.14  3.000
 FVG  N5   C18  C17  109.61  3.000
 FVG  H28  C19  H27  107.50  3.000
 FVG  H28  C19  N5   109.38  3.000
 FVG  H27  C19  N5   112.99  3.000
 FVG  H28  C19  C20  109.05  3.000
 FVG  H27  C19  C20  108.58  3.000
 FVG  N5   C19  C20  109.25  3.000
 FVG  H29  C2   C3   119.51  3.000
 FVG  H29  C2   C1   118.99  3.000
 FVG  C3   C2   C1   121.50  3.000
 FVG  H32  C23  H31  107.72  3.000
 FVG  H32  C23  H30  107.23  3.000
 FVG  H31  C23  H30  107.77  3.000
 FVG  H32  C23  C22  111.54  3.000
 FVG  H31  C23  C22  110.52  3.000
 FVG  H30  C23  C22  111.86  3.000
 FVG  C2   C3   C21  119.12  3.000
 FVG  C2   C3   C4   120.11  3.000
 FVG  C21  C3   C4   120.74  3.000
 FVG  CL   C9   C10  118.23  3.000
 FVG  CL   C9   C8   117.62  3.000
 FVG  C10  C9   C8   124.15  3.000
 FVG  C12  N2   C15  110.92  3.000
 FVG  C12  N2   C7   121.57  3.000
 FVG  C15  N2   C7   123.18  3.000
 FVG  C20  N4   C17  111.94  3.000
 FVG  C17  N4   C5   115.54  3.000
 FVG  C20  N4   C5   115.93  3.000
 FVG  H33  N5   C19  109.86  3.000
 FVG  H33  N5   C18  109.99  3.000
 FVG  C19  N5   C18  111.07  3.000
 FVG  H18  C    H17  107.64  3.000
 FVG  H18  C    H16  107.25  3.000
 FVG  H17  C    H16  107.70  3.000
 FVG  H18  C    C1   111.65  3.000
 FVG  H17  C    C1   110.57  3.000
 FVG  H16  C    C1   111.82  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
 FVG  CONST_01  C11  N    C5   N1      0.00   0.0  0
 FVG  CONST_02  N    C11  C6   N1      0.00   0.0  0
 FVG  CONST_03  C10  C11  C6   N1    180.00   0.0  0
 FVG  CONST_04  C8   C7   C6   N1    180.00   0.0  0
 FVG  CONST_05  C6   C11  N    C5      0.00   0.0  0
 FVG  CONST_06  C10  C11  N    C5    180.00   0.0  0
 FVG  CONST_07  C11  C6   N1   C5      0.00   0.0  0
 FVG  CONST_08  C7   C6   N1   C5    180.00   0.0  0
 FVG  CONST_09  N    C5   N1   C6      0.00   0.0  0
 FVG  CONST_10  C9   C10  C11  C6      0.00   0.0  0
 FVG  CONST_11  C9   C8   C7   C6      0.00   0.0  0
 FVG  CONST_12  N    C11  C6   C7    180.00   0.0  0
 FVG  CONST_13  C10  C11  C6   C7      0.00   0.0  0
 FVG  CONST_14  C10  C9   C8   C7      0.00   0.0  0
 FVG  CONST_15  C11  C6   C7   C8      0.00   0.0  0
 FVG  CONST_16  C11  C10  C9   C8      0.00   0.0  0
 FVG  CONST_17  C1   C24  C22  C21     0.00   0.0  0
 FVG  CONST_18  C1   C2   C3   C21     0.00   0.0  0
 FVG  CONST_19  C2   C1   C24  C22     0.00   0.0  0
 FVG  CONST_20  C2   C3   C21  C22     0.00   0.0  0
 FVG  CONST_21  C3   C21  C22  C24     0.00   0.0  0
 FVG  CONST_22  C3   C2   C1   C24     0.00   0.0  0
 FVG  CONST_23  C9   C10  C11  N     180.00   0.0  0
 FVG  CONST_24  N2   C7   C6   N1      0.00   0.0  0
 FVG  CONST_25  N4   C5   N1   C6    180.00   0.0  0
 FVG  CONST_26  N4   C5   N    C11   180.00   0.0  0
 FVG  CONST_27  N2   C7   C6   C11   180.00   0.0  0
 FVG  CONST_28  N2   C7   C8   C9    180.00   0.0  0
 FVG  CONST_29  C4   N    C5   N1    180.00   0.0  0
 FVG  CONST_30  C22  C21  C3   C4    180.00   0.0  0
 FVG  CONST_31  C1   C2   C3   C4    180.00   0.0  0
 FVG  CONST_32  N4   C5   N    C4      0.00   0.0  0
 FVG  CONST_33  C6   C11  N    C4    180.00   0.0  0
 FVG  CONST_35  CL   C9   C8   C7    180.00   0.0  0
 FVG  CONST_36  F    C24  C22  C21   180.00   0.0  0
 FVG  CONST_37  C    C1   C24  C22   180.00   0.0  0
 FVG  CONST_38  C3   C2   C1   C     180.00   0.0  0
 FVG  CONST_39  C23  C22  C24  C1    180.00   0.0  0
 FVG  CONST_40  CL   C9   C10  C11   180.00   0.0  0
 FVG  CONST_41  F    C24  C1   C2    180.00   0.0  0
 FVG  CONST_42  C3   C21  C22  C23   180.00   0.0  0
 FVG  CONST_43  H7   C10  C11  C6    180.00   0.0  0
 FVG  CONST_44  H6   C8   C7   C6    180.00   0.0  0
 FVG  CONST_45  H29  C2   C3   C21   180.00   0.0  0
 FVG  CONST_46  H15  C21  C22  C24   180.00   0.0  0
 FVG  Var_01    C20  N4   C5   N1   -107.30  30.0  2
 FVG  Var_02    C19  C20  N4   C5   -166.48  30.0  1
 FVG  Var_03    C18  C17  N4   C5    166.39  30.0  1
 FVG  Var_04    C15  N2   C7   C6    170.11  30.0  2
 FVG  Var_05    C13  C12  N2   C7   -132.03  30.0  1
 FVG  Var_06    C12  C13  C14  C15    34.72  30.0  1
 FVG  Var_07    C19  N5   C18  C17   -60.45  30.0  1
 FVG  Var_08    C18  N5   C19  C20    60.04  30.0  1
 FVG  Var_09    N2   C12  C13  C14   -36.44  30.0  1
 FVG  Var_10    N5   C19  C20  N4    -57.54  30.0  1
 FVG  Var_11    N5   C18  C17  N4     58.00  30.0  1
 FVG  Var_12    C3   C4   N    C5     88.41  30.0  3
 FVG  Var_13    N    C4   C3   C21   104.37  30.0  2
 FVG  Var_14    H30  C23  C22  C21  -123.58  30.0  2
 FVG  Var_15    H16  C    C1   C24    59.20  30.0  2
 FVG  Var_16    H1   N3   C16  C15    66.70  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
 FVG  chir_01  C15  C16  N2  C14  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
 FVG  plan-1  C4   0.020
 FVG  plan-1  C21  0.020
 FVG  plan-1  C22  0.020
 FVG  plan-1  C24  0.020
 FVG  plan-1  C1   0.020
 FVG  plan-1  C2   0.020
 FVG  plan-1  C23  0.020
 FVG  plan-1  C3   0.020
 FVG  plan-1  H15  0.020
 FVG  plan-1  H29  0.020
 FVG  plan-1  F    0.020
 FVG  plan-1  C    0.020
 FVG  plan-2  N1   0.020
 FVG  plan-2  C4   0.020
 FVG  plan-2  C5   0.020
 FVG  plan-2  C6   0.020
 FVG  plan-2  C7   0.020
 FVG  plan-2  C8   0.020
 FVG  plan-2  C10  0.020
 FVG  plan-2  N    0.020
 FVG  plan-2  C11  0.020
 FVG  plan-2  C9   0.020
 FVG  plan-2  N2   0.020
 FVG  plan-2  N4   0.020
 FVG  plan-2  CL   0.020
 FVG  plan-2  H6   0.020
 FVG  plan-2  H7   0.020

