# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May 23 16:16:37 2020
#   Inital geometry file: a 159 line input string
#   Ligand name: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c3oc4ccccc4n3)c1)C(O)=O
#
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
 P7F  P7F  '(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid'  ligand  66  36  .  2021-08-20  2021-08-20  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_P7F
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
 P7F  C09   C  CH2   0  -0.308   0.6839   1.8709  -1.7874
 P7F  C10   C  CH2   0  -0.418  -1.3996   1.6135  -3.1416
 P7F  C11   C  CH2   0  -0.469   0.8971   0.7418  -0.7832
 P7F  C12   C  CR6   0   0.124  -1.5925   0.1226  -3.0060
 P7F  C13   C  CR5   0   0.762  -1.3358   2.9417  -1.0792
 P7F  C14   C  CH2   0  -0.170   2.3725   0.5166  -0.5270
 P7F  C15   C  CR16  0  -0.351  -2.2288  -0.4057  -1.8857
 P7F  C16   C  CR16  0  -0.317  -1.0956  -0.7375  -3.9758
 P7F  C17   C  CR6   0   0.355  -2.3435  -1.7775  -1.7341
 P7F  C18   C  CR56  0   0.333  -3.0041   3.9581  -0.1755
 P7F  C19   C  CR56  0   0.172  -1.8485   4.1508   0.5772
 P7F  C20   C  CH1   0  -0.067  -2.1021  -2.9306   0.2948
 P7F  C21   C  CR16  0  -0.234  -1.2368  -2.1131  -3.8329
 P7F  C22   C  CR16  0  -0.337  -1.8546  -2.6402  -2.7115
 P7F  C23   C  CH2   0  -0.458  -2.9494  -3.8000   1.2188
 P7F  C24   C  CR16  0  -0.340  -4.2344   4.4837   0.1377
 P7F  C25   C  CR16  0  -0.341  -1.9100   4.9209   1.7303
 P7F  C26   C  CR6   0   0.363   3.7280  -1.0116   0.6936
 P7F  C27   C  CR16  0  -0.282  -4.2830   5.2560   1.2981
 P7F  C28   C  CR16  0  -0.264  -3.1433   5.4672   2.0741
 P7F  C29   C  CH3   0  -0.669  -3.7148  -4.8765   0.4629
 P7F  C30   C  C     0   0.531  -1.3309  -1.8987   1.1074
 P7F  C31   C  CR16  0  -0.329   3.7912  -2.1580   1.4903
 P7F  C32   C  CR16  0  -0.367   4.9125  -0.4025   0.3054
 P7F  C33   C  CR16  0  -0.323   5.0066  -2.6740   1.8877
 P7F  C34   C  CR16  0  -0.370   6.1427  -0.9252   0.7061
 P7F  C35   C  CR6   0   0.357   6.2018  -2.0625   1.4985
 P7F  C36   C  CH3   0  -0.434   8.5717  -2.0676   1.5421
 P7F  N07   N  NT    0  -0.519  -0.7163   2.2001  -2.0027
 P7F  N08   N  N     0  -0.521  -0.8008   3.4847  -0.0273
 P7F  O01   O  O     0  -0.480  -2.6595   3.1729  -1.2399
 P7F  O02   O  O2    0  -0.477   2.4906  -0.5808   0.3593
 P7F  O03   O  O2    0  -0.496  -2.9562  -2.2746  -0.6174
 P7F  O04   O  OH1   0  -0.590  -0.1975  -2.4031   1.5762
 P7F  O05   O  O     0  -0.422  -1.7140  -0.7802   1.3240
 P7F  O06   O  O2    0  -0.477   7.3433  -2.6420   1.9333
 P7F  H091  H  HCH2  0   0.260   1.2071   2.7716  -1.4604
 P7F  H092  H  HCH2  0   0.262   1.1021   1.5990  -2.7582
 P7F  H102  H  HCH2  0   0.278  -0.8072   1.8231  -4.0347
 P7F  H101  H  HCH2  0   0.291  -2.3579   2.1090  -3.2906
 P7F  H112  H  HCH2  0   0.247   0.3953   0.9863   0.1547
 P7F  H111  H  HCH2  0   0.245   0.4537  -0.1794  -1.1621
 P7F  H141  H  HCH2  0   0.219   2.8962   0.3043  -1.4676
 P7F  H142  H  HCH2  0   0.221   2.8284   1.4149  -0.0932
 P7F  H151  H  HCR6  0   0.254  -2.6179   0.2381  -1.1068
 P7F  H161  H  HCR6  0   0.257  -0.5923  -0.3346  -4.8463
 P7F  H201  H  HCH1  0   0.261  -1.3840  -3.5703  -0.2339
 P7F  H211  H  HCR6  0   0.262  -0.8546  -2.7772  -4.5971
 P7F  H221  H  HCR6  0   0.270  -1.9619  -3.7119  -2.5972
 P7F  H232  H  HCH2  0   0.250  -2.2844  -4.2656   1.9490
 P7F  H231  H  HCH2  0   0.245  -3.6382  -3.1647   1.7817
 P7F  H241  H  HCR6  0   0.273  -5.1115   4.3135  -0.4722
 P7F  H251  H  HCR6  0   0.257  -1.0313   5.0916   2.3383
 P7F  H271  H  HCR6  0   0.258  -5.2231   5.6987   1.5987
 P7F  H281  H  HCR6  0   0.256  -3.2208   6.0733   2.9673
 P7F  H292  H  HCH3  0   0.226  -3.0385  -5.5133  -0.1096
 P7F  H291  H  HCH3  0   0.240  -4.2586  -5.5136   1.1596
 P7F  H293  H  HCH3  0   0.233  -4.4393  -4.4485  -0.2283
 P7F  H311  H  HCR6  0   0.256   2.8743  -2.6492   1.7921
 P7F  H321  H  HCR6  0   0.278   4.9173   0.4852  -0.3124
 P7F  H331  H  HCR6  0   0.264   5.0378  -3.5637   2.5045
 P7F  H341  H  HCR6  0   0.280   7.0399  -0.4163   0.3801
 P7F  H363  H  HCH3  0   0.224   8.6899  -2.0524   0.4549
 P7F  H362  H  HCH3  0   0.225   8.6877  -1.0478   1.9203
 P7F  H361  H  HCH3  0   0.257   9.3559  -2.6882   1.9691
 P7F  H1    H  HOH1  0   0.482   0.2598  -1.7460   2.1225

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
 P7F  C36  O06   single    1.411  0.020  1.411
 P7F  O06  C35   single    1.352  0.020  1.352
 P7F  C35  C33   aromatic  1.398  0.020  1.398
 P7F  C35  C34   aromatic  1.387  0.020  1.387
 P7F  C33  C31   aromatic  1.379  0.020  1.379
 P7F  C34  C32   aromatic  1.395  0.020  1.395
 P7F  C31  C26   aromatic  1.397  0.020  1.397
 P7F  C32  C26   aromatic  1.387  0.020  1.387
 P7F  C26  O02   single    1.352  0.020  1.352
 P7F  O02  C14   single    1.416  0.020  1.416
 P7F  C14  C11   single    1.514  0.020  1.514
 P7F  C11  C09   single    1.526  0.020  1.526
 P7F  C09  N07   single    1.454  0.020  1.454
 P7F  C29  C23   single    1.522  0.020  1.522
 P7F  N08  C13   aromatic  1.299  0.020  1.299
 P7F  N08  C19   aromatic  1.381  0.020  1.381
 P7F  C21  C22   aromatic  1.385  0.020  1.385
 P7F  C21  C16   aromatic  1.390  0.020  1.390
 P7F  N07  C13   single    1.337  0.020  1.337
 P7F  N07  C10   single    1.452  0.020  1.452
 P7F  C22  C17   aromatic  1.392  0.020  1.392
 P7F  C16  C12   aromatic  1.388  0.020  1.388
 P7F  C25  C19   aromatic  1.388  0.020  1.388
 P7F  C25  C28   aromatic  1.392  0.020  1.392
 P7F  C13  O01   aromatic  1.353  0.020  1.353
 P7F  C19  C18   aromatic  1.392  0.020  1.392
 P7F  C17  O03   single    1.367  0.020  1.367
 P7F  C17  C15   aromatic  1.385  0.020  1.385
 P7F  C23  C20   single    1.526  0.020  1.526
 P7F  C12  C15   aromatic  1.393  0.020  1.393
 P7F  C12  C10   single    1.509  0.020  1.509
 P7F  O03  C20   single    1.411  0.020  1.411
 P7F  C20  C30   single    1.523  0.020  1.523
 P7F  C28  C27   aromatic  1.395  0.020  1.395
 P7F  O01  C18   aromatic  1.367  0.020  1.367
 P7F  C18  C24   aromatic  1.374  0.020  1.374
 P7F  C30  O05   double    1.202  0.020  1.202
 P7F  C30  O04   single    1.326  0.020  1.326
 P7F  C27  C24   aromatic  1.395  0.020  1.395
 P7F  C09  H091  single    0.970  0.020  1.090
 P7F  C09  H092  single    0.970  0.020  1.090
 P7F  C10  H102  single    0.970  0.020  1.090
 P7F  C10  H101  single    0.970  0.020  1.090
 P7F  C11  H112  single    0.970  0.020  1.090
 P7F  C11  H111  single    0.970  0.020  1.090
 P7F  C14  H141  single    0.970  0.020  1.090
 P7F  C14  H142  single    0.970  0.020  1.090
 P7F  C15  H151  single    0.930  0.020  1.080
 P7F  C16  H161  single    0.930  0.020  1.080
 P7F  C20  H201  single    0.970  0.020  1.090
 P7F  C21  H211  single    0.930  0.020  1.080
 P7F  C22  H221  single    0.930  0.020  1.080
 P7F  C23  H232  single    0.970  0.020  1.090
 P7F  C23  H231  single    0.970  0.020  1.090
 P7F  C24  H241  single    0.930  0.020  1.080
 P7F  C25  H251  single    0.930  0.020  1.080
 P7F  C27  H271  single    0.930  0.020  1.080
 P7F  C28  H281  single    0.930  0.020  1.080
 P7F  C29  H292  single    0.970  0.020  1.090
 P7F  C29  H291  single    0.970  0.020  1.090
 P7F  C29  H293  single    0.970  0.020  1.090
 P7F  C31  H311  single    0.930  0.020  1.080
 P7F  C32  H321  single    0.930  0.020  1.080
 P7F  C33  H331  single    0.930  0.020  1.080
 P7F  C34  H341  single    0.930  0.020  1.080
 P7F  C36  H363  single    0.970  0.020  1.090
 P7F  C36  H362  single    0.970  0.020  1.090
 P7F  C36  H361  single    0.970  0.020  1.090
 P7F  O04  H1    single    0.850  0.020  0.980

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
 P7F  H092  C09  H091  106.76  3.000
 P7F  H092  C09  N07   107.08  3.000
 P7F  H091  C09  N07   108.60  3.000
 P7F  H092  C09  C11   110.33  3.000
 P7F  H091  C09  C11   110.26  3.000
 P7F  N07   C09  C11   113.54  3.000
 P7F  H101  C10  H102  106.15  3.000
 P7F  H101  C10  N07   109.73  3.000
 P7F  H102  C10  N07   107.98  3.000
 P7F  H101  C10  C12   110.44  3.000
 P7F  H102  C10  C12   109.41  3.000
 P7F  N07   C10  C12   112.88  3.000
 P7F  H111  C11  H112  107.51  3.000
 P7F  H111  C11  C14   109.24  3.000
 P7F  H112  C11  C14   109.63  3.000
 P7F  H111  C11  C09   109.85  3.000
 P7F  H112  C11  C09   109.60  3.000
 P7F  C14   C11  C09   110.95  3.000
 P7F  C16   C12  C15   119.37  3.000
 P7F  C15   C12  C10   120.35  3.000
 P7F  C16   C12  C10   120.23  3.000
 P7F  O01   C13  N08   115.31  3.000
 P7F  O01   C13  N07   117.78  3.000
 P7F  N08   C13  N07   126.90  3.000
 P7F  H142  C14  H141  107.40  3.000
 P7F  H142  C14  O02   110.65  3.000
 P7F  H141  C14  O02   110.30  3.000
 P7F  H142  C14  C11   110.50  3.000
 P7F  H141  C14  C11   110.41  3.000
 P7F  O02   C14  C11   107.61  3.000
 P7F  H151  C15  C17   118.71  3.000
 P7F  H151  C15  C12   121.16  3.000
 P7F  C17   C15  C12   120.12  3.000
 P7F  H161  C16  C21   119.86  3.000
 P7F  H161  C16  C12   119.81  3.000
 P7F  C21   C16  C12   120.33  3.000
 P7F  O03   C17  C22   120.36  3.000
 P7F  O03   C17  C15   119.12  3.000
 P7F  C22   C17  C15   120.52  3.000
 P7F  O01   C18  C24   128.54  3.000
 P7F  C24   C18  C19   124.54  3.000
 P7F  O01   C18  C19   106.93  3.000
 P7F  N08   C19  C25   131.68  3.000
 P7F  C25   C19  C18   119.28  3.000
 P7F  N08   C19  C18   109.04  3.000
 P7F  H201  C20  O03   110.83  3.000
 P7F  H201  C20  C30   108.70  3.000
 P7F  O03   C20  C30   109.66  3.000
 P7F  H201  C20  C23   108.85  3.000
 P7F  C30   C20  C23   110.13  3.000
 P7F  O03   C20  C23   108.67  3.000
 P7F  H211  C21  C22   119.72  3.000
 P7F  H211  C21  C16   119.92  3.000
 P7F  C22   C21  C16   120.35  3.000
 P7F  H221  C22  C21   120.43  3.000
 P7F  H221  C22  C17   120.28  3.000
 P7F  C21   C22  C17   119.30  3.000
 P7F  H231  C23  H232  106.69  3.000
 P7F  H231  C23  C29   110.49  3.000
 P7F  H232  C23  C29   109.69  3.000
 P7F  H231  C23  C20   109.30  3.000
 P7F  H232  C23  C20   108.04  3.000
 P7F  C29   C23  C20   112.43  3.000
 P7F  H241  C24  C27   121.87  3.000
 P7F  H241  C24  C18   122.50  3.000
 P7F  C27   C24  C18   115.64  3.000
 P7F  H251  C25  C28   121.26  3.000
 P7F  H251  C25  C19   121.22  3.000
 P7F  C28   C25  C19   117.52  3.000
 P7F  O02   C26  C32   124.91  3.000
 P7F  O02   C26  C31   116.34  3.000
 P7F  C32   C26  C31   118.75  3.000
 P7F  H271  C27  C28   119.58  3.000
 P7F  H271  C27  C24   119.21  3.000
 P7F  C28   C27  C24   121.21  3.000
 P7F  H281  C28  C27   119.04  3.000
 P7F  H281  C28  C25   119.15  3.000
 P7F  C27   C28  C25   121.81  3.000
 P7F  H293  C29  H291  107.68  3.000
 P7F  H293  C29  H292  107.98  3.000
 P7F  H291  C29  H292  107.68  3.000
 P7F  H293  C29  C23   111.83  3.000
 P7F  H291  C29  C23   110.31  3.000
 P7F  H292  C29  C23   111.20  3.000
 P7F  O05   C30  O04   124.24  3.000
 P7F  O04   C30  C20   111.32  3.000
 P7F  O05   C30  C20   124.41  3.000
 P7F  H311  C31  C33   119.75  3.000
 P7F  H311  C31  C26   119.51  3.000
 P7F  C33   C31  C26   120.74  3.000
 P7F  H321  C32  C34   117.87  3.000
 P7F  H321  C32  C26   121.60  3.000
 P7F  C34   C32  C26   120.53  3.000
 P7F  H331  C33  C35   119.56  3.000
 P7F  H331  C33  C31   119.79  3.000
 P7F  C35   C33  C31   120.65  3.000
 P7F  H341  C34  C35   121.49  3.000
 P7F  H341  C34  C32   117.94  3.000
 P7F  C35   C34  C32   120.57  3.000
 P7F  O06   C35  C34   124.82  3.000
 P7F  C34   C35  C33   118.77  3.000
 P7F  O06   C35  C33   116.42  3.000
 P7F  H361  C36  H362  108.66  3.000
 P7F  H361  C36  H363  108.68  3.000
 P7F  H362  C36  H363  108.62  3.000
 P7F  H361  C36  O06   106.66  3.000
 P7F  H362  C36  O06   112.08  3.000
 P7F  H363  C36  O06   112.03  3.000
 P7F  C13   N07  C10   123.23  3.000
 P7F  C10   N07  C09   118.54  3.000
 P7F  C13   N07  C09   118.00  3.000
 P7F  C19   N08  C13   104.10  3.000
 P7F  C18   O01  C13   104.61  3.000
 P7F  C26   O02  C14   118.57  3.000
 P7F  C20   O03  C17   115.19  3.000
 P7F  H1    O04  C30   110.16  3.000
 P7F  C36   O06  C35   118.12  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
 P7F  CONST_01  C22   C21  C16  C12     0.00   0.0  0
 P7F  CONST_02  C22   C17  C15  C12     0.00   0.0  0
 P7F  CONST_03  C25   C19  N08  C13   180.00   0.0  0
 P7F  CONST_04  C18   C19  N08  C13     0.00   0.0  0
 P7F  CONST_05  C19   C18  O01  C13     0.00   0.0  0
 P7F  CONST_06  C24   C18  O01  C13   180.00   0.0  0
 P7F  CONST_07  C21   C22  C17  C15     0.00   0.0  0
 P7F  CONST_08  C21   C16  C12  C15     0.00   0.0  0
 P7F  CONST_09  C17   C22  C21  C16     0.00   0.0  0
 P7F  CONST_10  C17   C15  C12  C16     0.00   0.0  0
 P7F  CONST_11  C28   C25  C19  C18     0.00   0.0  0
 P7F  CONST_12  N08   C13  O01  C18     0.00   0.0  0
 P7F  CONST_13  C28   C27  C24  C18     0.00   0.0  0
 P7F  CONST_14  O01   C13  N08  C19     0.00   0.0  0
 P7F  CONST_15  C27   C28  C25  C19     0.00   0.0  0
 P7F  CONST_16  C27   C24  C18  C19     0.00   0.0  0
 P7F  CONST_17  N08   C19  C18  C24   180.00   0.0  0
 P7F  CONST_18  C25   C19  C18  C24     0.00   0.0  0
 P7F  CONST_19  C25   C28  C27  C24     0.00   0.0  0
 P7F  CONST_20  O01   C18  C19  C25   180.00   0.0  0
 P7F  CONST_21  C35   C33  C31  C26     0.00   0.0  0
 P7F  CONST_22  C35   C34  C32  C26     0.00   0.0  0
 P7F  CONST_23  O01   C18  C24  C27   180.00   0.0  0
 P7F  CONST_24  N08   C19  C25  C28   180.00   0.0  0
 P7F  CONST_25  C34   C35  C33  C31     0.00   0.0  0
 P7F  CONST_26  C34   C32  C26  C31     0.00   0.0  0
 P7F  CONST_27  C33   C35  C34  C32     0.00   0.0  0
 P7F  CONST_28  C33   C31  C26  C32     0.00   0.0  0
 P7F  CONST_29  O01   C18  C19  N08     0.00   0.0  0
 P7F  CONST_30  C21   C16  C12  C10   180.00   0.0  0
 P7F  CONST_31  C17   C15  C12  C10   180.00   0.0  0
 P7F  CONST_32  O03   C17  C15  C12   180.00   0.0  0
 P7F  CONST_33  N07   C13  O01  C18   180.00   0.0  0
 P7F  CONST_34  N07   C13  N08  C19   180.00   0.0  0
 P7F  CONST_35  O03   C17  C22  C21   180.00   0.0  0
 P7F  CONST_36  O06   C35  C33  C31   180.00   0.0  0
 P7F  CONST_37  O06   C35  C34  C32   180.00   0.0  0
 P7F  CONST_38  O02   C26  C31  C33   180.00   0.0  0
 P7F  CONST_39  O02   C26  C32  C34   180.00   0.0  0
 P7F  CONST_40  H211  C21  C16  C12   180.00   0.0  0
 P7F  CONST_41  H221  C22  C17  C15   180.00   0.0  0
 P7F  CONST_42  H161  C16  C12  C15   180.00   0.0  0
 P7F  CONST_43  H151  C15  C12  C16   180.00   0.0  0
 P7F  CONST_44  H251  C25  C19  C18   180.00   0.0  0
 P7F  CONST_45  H271  C27  C24  C18   180.00   0.0  0
 P7F  CONST_46  H281  C28  C25  C19   180.00   0.0  0
 P7F  CONST_47  H241  C24  C18  C19   180.00   0.0  0
 P7F  CONST_48  H331  C33  C31  C26   180.00   0.0  0
 P7F  CONST_49  H341  C34  C32  C26   180.00   0.0  0
 P7F  CONST_50  H321  C32  C26  C31   180.00   0.0  0
 P7F  CONST_51  H311  C31  C26  C32   180.00   0.0  0
 P7F  CONST_52  N08   C13  N07  C09     0.00   0.0  0
 P7F  CONST_53  O01   C13  N07  C09   180.00   0.0  0
 P7F  CONST_54  N08   C13  N07  C10   180.00   0.0  0
 P7F  CONST_55  O01   C13  N07  C10     0.00   0.0  0
 P7F  CONST_56  H1    O04  C30  C20   180.00   0.0  0
 P7F  Var_01    C13   N07  C10  C12  -106.10  30.0  2
 P7F  Var_02    C31   C26  O02  C14  -175.38  30.0  2
 P7F  Var_03    N07   C10  C12  C15    54.72  30.0  2
 P7F  Var_04    C22   C17  O03  C20    70.40  30.0  1
 P7F  Var_05    H141  C14  O02  C26    56.69  30.0  3
 P7F  Var_06    H363  C36  O06  C35   -59.80  30.0  3
 P7F  Var_07    O02   C14  C11  C09  -177.25  30.0  1
 P7F  Var_08    N07   C09  C11  C14  -175.82  30.0  3
 P7F  Var_09    H292  C29  C23  C20    57.15  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
 P7F  chir_01  C20  C23  O03  C30  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
 P7F  plan-1  C10   0.020
 P7F  plan-1  C12   0.020
 P7F  plan-1  C15   0.020
 P7F  plan-1  C16   0.020
 P7F  plan-1  C17   0.020
 P7F  plan-1  C21   0.020
 P7F  plan-1  C22   0.020
 P7F  plan-1  O03   0.020
 P7F  plan-1  H151  0.020
 P7F  plan-1  H161  0.020
 P7F  plan-1  H211  0.020
 P7F  plan-1  H221  0.020
 P7F  plan-2  C26   0.020
 P7F  plan-2  C31   0.020
 P7F  plan-2  C32   0.020
 P7F  plan-2  C33   0.020
 P7F  plan-2  C34   0.020
 P7F  plan-2  C35   0.020
 P7F  plan-2  O02   0.020
 P7F  plan-2  O06   0.020
 P7F  plan-2  H311  0.020
 P7F  plan-2  H321  0.020
 P7F  plan-2  H331  0.020
 P7F  plan-2  H341  0.020
 P7F  plan-3  C13   0.020
 P7F  plan-3  C18   0.020
 P7F  plan-3  C19   0.020
 P7F  plan-3  C24   0.020
 P7F  plan-3  C25   0.020
 P7F  plan-3  C27   0.020
 P7F  plan-3  C28   0.020
 P7F  plan-3  N07   0.020
 P7F  plan-3  N08   0.020
 P7F  plan-3  O01   0.020
 P7F  plan-3  H241  0.020
 P7F  plan-3  H251  0.020
 P7F  plan-3  H271  0.020
 P7F  plan-3  H281  0.020
 P7F  plan-4  C09   0.020
 P7F  plan-4  C10   0.020
 P7F  plan-4  C13   0.020
 P7F  plan-4  N07   0.020
 P7F  plan-5  C20   0.020
 P7F  plan-5  C30   0.020
 P7F  plan-5  O04   0.020
 P7F  plan-5  O05   0.020
 P7F  plan-5  H1    0.020

