# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Thu Jun 11 18:28:25 2020
#   Inital geometry file: a 152 line input string
#   Ligand name: ~{N}-[(2~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)NC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5
#
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
 7JO  7JO  ~{N}-[(2~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide  ligand  63  38  .  2021-08-05  2021-08-05  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_7JO
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
 7JO  C4   C  CR16  0  -0.285  -3.4579   0.3799  -0.6146
 7JO  C5   C  CR6   0   0.081  -2.9371  -0.6586   0.1581
 7JO  C6   C  CR16  0  -0.295  -3.1829  -0.6489   1.5311
 7JO  C7   C  CR6   0   0.103  -2.1319  -1.7274  -0.4626
 7JO  C8   C  CR16  0  -0.439  -2.4905  -2.2672  -1.7000
 7JO  C10  C  CR6   0   0.266  -0.5603  -3.7289  -1.6607
 7JO  C20  C  CR56  0   0.497   0.2261   2.5169  -0.4989
 7JO  C21  C  CH1   0   0.175   2.3850   1.2549  -0.5930
 7JO  C22  C  CR15  0   0.110   1.0968   2.0342   1.4479
 7JO  C26  C  CH1   0  -0.045   3.7584   1.8907  -0.3576
 7JO  C28  C  CR6   0   0.478  -1.7264   3.6768   0.1833
 7JO  C1   C  CR16  0  -0.395  -3.9272   0.3614   2.1211
 7JO  C2   C  CR6   0   0.517  -4.4286   1.3672   1.3192
 7JO  C3   C  CR16  0  -0.391  -4.2075   1.3955  -0.0433
 7JO  C9   C  CR6   0   0.293  -1.7239  -3.2537  -2.2878
 7JO  C11  C  CR6   0  -0.134  -0.1905  -3.1899  -0.4318
 7JO  C12  C  CR16  0  -0.380  -0.9871  -2.2047   0.1562
 7JO  F13  F  F     0  -0.318  -5.1521   2.3493   1.8830
 7JO  C14  C  C     0   0.536   1.0861  -3.6120   0.2318
 7JO  N15  N  NH1   0  -0.660   1.7562  -2.5844   0.7796
 7JO  O16  O  O     0  -0.486   1.4696  -4.7717   0.2621
 7JO  O17  O  OH1   0  -0.611   0.2051  -4.6577  -2.2564
 7JO  O18  O  OH1   0  -0.646  -2.0131  -3.8237  -3.4779
 7JO  N19  N  NR5   0  -0.537   1.2973   1.9118   0.0977
 7JO  C23  C  CR56  0   0.006  -0.5559   2.9855   0.5438
 7JO  N24  N  N     0  -0.460  -0.0310   2.6412  -1.7981
 7JO  O25  O  O2    0  -0.510   2.4783  -0.0735  -0.1516
 7JO  N27  N  N     0  -0.447   0.0063   2.6699   1.7533
 7JO  C29  C  CR16  0   0.044  -1.1609   3.2932  -2.0122
 7JO  C30  C  CH1   0   0.055   3.7526  -0.3666   0.4232
 7JO  C31  C  CH1   0  -0.033   4.3408   1.0050   0.7526
 7JO  O32  O  OH1   0  -0.665   4.4937   1.7468  -1.5420
 7JO  N33  N  N     0  -0.474  -1.9990   3.8107  -1.1188
 7JO  N34  N  NH2   0  -0.819  -2.5496   4.2198   1.0829
 7JO  C35  C  CH2   0  -0.494   3.5955  -1.2586   1.6417
 7JO  O36  O  OH1   0  -0.656   5.7380   0.9454   0.7502
 7JO  C37  C  CH1   0  -0.058   3.0736  -2.6742   1.3924
 7JO  C38  C  CH3   0  -0.662   3.0383  -3.4470   2.7058
 7JO  H1   H  HCR6  0   0.258  -3.2599   0.4144  -1.6785
 7JO  H2   H  HCR6  0   0.261  -2.8071  -1.4509   2.1539
 7JO  H3   H  HCR6  0   0.277  -3.3896  -1.9276  -2.2026
 7JO  H4   H  HCH1  0   0.281   2.1256   1.2927  -1.6540
 7JO  H5   H  HCR5  0   0.290   1.7883   1.6277   2.1709
 7JO  H6   H  HCH1  0   0.260   3.6693   2.9418  -0.0577
 7JO  H7   H  HCR6  0   0.278  -4.1199   0.3581   3.1859
 7JO  H8   H  HCR6  0   0.277  -4.5929   2.2065  -0.6466
 7JO  H9   H  HCR6  0   0.260  -0.6966  -1.7911   1.1137
 7JO  H10  H  HNH1  0   0.409   1.4462  -1.6581   0.5323
 7JO  H11  H  HOH1  0   0.476  -0.1303  -4.8439  -3.1423
 7JO  H12  H  HOH1  0   0.486  -2.7498  -3.3759  -3.9084
 7JO  H13  H  HCR6  0   0.251  -1.4435   3.4301  -3.0505
 7JO  H14  H  HCH1  0   0.246   4.3824  -0.8657  -0.3246
 7JO  H15  H  HCH1  0   0.243   3.9621   1.3435   1.7259
 7JO  H16  H  HOH1  0   0.452   5.4258   1.6729  -1.3008
 7JO  H17  H  HNH2  0   0.401  -3.4247   4.6161   0.7853
 7JO  H18  H  HNH2  0   0.408  -2.4239   4.0436   2.0642
 7JO  H19  H  HCH2  0   0.266   4.5815  -1.3454   2.1049
 7JO  H20  H  HCH2  0   0.239   2.9521  -0.7605   2.3763
 7JO  H21  H  HOH1  0   0.470   6.0842   1.6903   1.2522
 7JO  H22  H  HCH1  0   0.244   3.7536  -3.1841   0.7002
 7JO  H23  H  HCH3  0   0.232   4.0397  -3.5031   3.1345
 7JO  H24  H  HCH3  0   0.223   2.3881  -2.9494   3.4273
 7JO  H25  H  HCH3  0   0.245   2.6787  -4.4637   2.5631

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
 7JO  F13  C2   single    1.344  0.020  1.344
 7JO  C1   C2   aromatic  1.381  0.020  1.381
 7JO  C1   C6   aromatic  1.387  0.020  1.387
 7JO  C2   C3   aromatic  1.381  0.020  1.381
 7JO  C6   C5   aromatic  1.395  0.020  1.395
 7JO  O36  C31  single    1.398  0.020  1.398
 7JO  C3   C4   aromatic  1.386  0.020  1.386
 7JO  C5   C4   aromatic  1.395  0.020  1.395
 7JO  C5   C7   single    1.475  0.020  1.475
 7JO  O32  C26  single    1.402  0.020  1.402
 7JO  C31  C26  single    1.535  0.020  1.535
 7JO  C31  C30  single    1.528  0.020  1.528
 7JO  C7   C12  aromatic  1.386  0.020  1.386
 7JO  C7   C8   aromatic  1.397  0.020  1.397
 7JO  C12  C11  aromatic  1.397  0.020  1.397
 7JO  C26  C21  single    1.532  0.020  1.532
 7JO  O16  C14  double    1.222  0.020  1.222
 7JO  C8   C9   aromatic  1.381  0.020  1.381
 7JO  C14  C11  single    1.499  0.020  1.499
 7JO  C14  N15  single    1.344  0.020  1.344
 7JO  C11  C10  aromatic  1.392  0.020  1.392
 7JO  C30  C35  single    1.518  0.020  1.518
 7JO  C30  O25  single    1.428  0.020  1.428
 7JO  C37  C35  single    1.529  0.020  1.529
 7JO  C37  N15  single    1.456  0.020  1.456
 7JO  C37  C38  single    1.524  0.020  1.524
 7JO  C9   C10  aromatic  1.405  0.020  1.405
 7JO  C9   O18  single    1.351  0.020  1.351
 7JO  C10  O17  single    1.343  0.020  1.343
 7JO  C21  O25  single    1.403  0.020  1.403
 7JO  C21  N19  single    1.446  0.020  1.446
 7JO  N19  C22  aromatic  1.370  0.020  1.370
 7JO  N19  C20  aromatic  1.367  0.020  1.367
 7JO  C22  N27  aromatic  1.299  0.020  1.299
 7JO  C20  N24  aromatic  1.330  0.020  1.330
 7JO  C20  C23  aromatic  1.385  0.020  1.385
 7JO  N24  C29  aromatic  1.322  0.020  1.322
 7JO  N27  C23  aromatic  1.371  0.020  1.371
 7JO  C23  C28  aromatic  1.406  0.020  1.406
 7JO  C29  N33  aromatic  1.330  0.020  1.330
 7JO  C28  N33  aromatic  1.337  0.020  1.337
 7JO  C28  N34  single    1.335  0.020  1.335
 7JO  C4   H1   single    0.930  0.020  1.080
 7JO  C6   H2   single    0.930  0.020  1.080
 7JO  C8   H3   single    0.930  0.020  1.080
 7JO  C21  H4   single    0.970  0.020  1.090
 7JO  C22  H5   single    0.930  0.020  1.080
 7JO  C26  H6   single    0.970  0.020  1.090
 7JO  C1   H7   single    0.930  0.020  1.080
 7JO  C3   H8   single    0.930  0.020  1.080
 7JO  C12  H9   single    0.930  0.020  1.080
 7JO  N15  H10  single    0.860  0.020  1.020
 7JO  O17  H11  single    0.850  0.020  0.980
 7JO  O18  H12  single    0.850  0.020  0.980
 7JO  C29  H13  single    0.930  0.020  1.080
 7JO  C30  H14  single    0.970  0.020  1.090
 7JO  C31  H15  single    0.970  0.020  1.090
 7JO  O32  H16  single    0.850  0.020  0.980
 7JO  N34  H17  single    0.860  0.020  1.020
 7JO  N34  H18  single    0.860  0.020  1.020
 7JO  C35  H19  single    0.970  0.020  1.090
 7JO  C35  H20  single    0.970  0.020  1.090
 7JO  O36  H21  single    0.850  0.020  0.980
 7JO  C37  H22  single    0.970  0.020  1.090
 7JO  C38  H23  single    0.970  0.020  1.090
 7JO  C38  H24  single    0.970  0.020  1.090
 7JO  C38  H25  single    0.970  0.020  1.090

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
 7JO  H1   C4   C3   118.73  3.000
 7JO  H1   C4   C5   119.98  3.000
 7JO  C3   C4   C5   121.27  3.000
 7JO  C7   C5   C6   121.02  3.000
 7JO  C7   C5   C4   120.66  3.000
 7JO  C6   C5   C4   118.31  3.000
 7JO  H2   C6   C1   118.77  3.000
 7JO  H2   C6   C5   119.99  3.000
 7JO  C1   C6   C5   121.23  3.000
 7JO  C12  C7   C8   118.32  3.000
 7JO  C8   C7   C5   120.84  3.000
 7JO  C12  C7   C5   120.83  3.000
 7JO  H3   C8   C9   119.12  3.000
 7JO  H3   C8   C7   120.16  3.000
 7JO  C9   C8   C7   120.71  3.000
 7JO  O17  C10  C11  120.53  3.000
 7JO  O17  C10  C9   120.54  3.000
 7JO  C11  C10  C9   118.90  3.000
 7JO  N24  C20  C23  126.48  3.000
 7JO  C23  C20  N19  105.28  3.000
 7JO  N24  C20  N19  128.24  3.000
 7JO  H4   C21  O25  110.73  3.000
 7JO  H4   C21  N19  105.63  3.000
 7JO  O25  C21  N19  109.26  3.000
 7JO  H4   C21  C26  110.34  3.000
 7JO  N19  C21  C26  114.36  3.000
 7JO  O25  C21  C26  106.56  3.000
 7JO  H5   C22  N27  124.37  3.000
 7JO  H5   C22  N19  122.16  3.000
 7JO  N27  C22  N19  113.47  3.000
 7JO  H6   C26  O32  111.84  3.000
 7JO  H6   C26  C31  112.71  3.000
 7JO  O32  C26  C31  110.66  3.000
 7JO  H6   C26  C21  111.53  3.000
 7JO  C31  C26  C21  102.23  3.000
 7JO  O32  C26  C21  107.34  3.000
 7JO  N34  C28  N33  119.33  3.000
 7JO  N34  C28  C23  122.72  3.000
 7JO  N33  C28  C23  117.93  3.000
 7JO  H7   C1   C2   120.61  3.000
 7JO  H7   C1   C6   120.80  3.000
 7JO  C2   C1   C6   118.59  3.000
 7JO  F13  C2   C3   119.03  3.000
 7JO  C3   C2   C1   122.01  3.000
 7JO  F13  C2   C1   118.96  3.000
 7JO  H8   C3   C2   120.58  3.000
 7JO  H8   C3   C4   120.82  3.000
 7JO  C2   C3   C4   118.59  3.000
 7JO  O18  C9   C10  115.33  3.000
 7JO  O18  C9   C8   123.90  3.000
 7JO  C10  C9   C8   120.77  3.000
 7JO  C14  C11  C12  119.86  3.000
 7JO  C14  C11  C10  120.52  3.000
 7JO  C12  C11  C10  119.56  3.000
 7JO  H9   C12  C11  119.25  3.000
 7JO  H9   C12  C7   119.01  3.000
 7JO  C11  C12  C7   121.74  3.000
 7JO  O16  C14  N15  124.01  3.000
 7JO  N15  C14  C11  112.94  3.000
 7JO  O16  C14  C11  123.05  3.000
 7JO  H10  N15  C37  116.01  3.000
 7JO  H10  N15  C14  116.72  3.000
 7JO  C37  N15  C14  125.16  3.000
 7JO  H11  O17  C10  110.03  3.000
 7JO  H12  O18  C9   111.17  3.000
 7JO  C22  N19  C21  128.40  3.000
 7JO  C22  N19  C20  106.00  3.000
 7JO  C21  N19  C20  125.58  3.000
 7JO  N27  C23  C28  132.90  3.000
 7JO  C28  C23  C20  116.31  3.000
 7JO  N27  C23  C20  110.78  3.000
 7JO  C29  N24  C20  111.68  3.000
 7JO  C30  O25  C21  112.35  3.000
 7JO  C23  N27  C22  104.45  3.000
 7JO  H13  C29  N33  115.45  3.000
 7JO  H13  C29  N24  116.10  3.000
 7JO  N33  C29  N24  128.44  3.000
 7JO  H14  C30  C35  109.82  3.000
 7JO  H14  C30  C31  109.51  3.000
 7JO  C35  C30  C31  113.21  3.000
 7JO  H14  C30  O25  109.34  3.000
 7JO  C35  C30  O25  110.56  3.000
 7JO  C31  C30  O25  104.24  3.000
 7JO  H15  C31  O36  111.06  3.000
 7JO  H15  C31  C30  109.58  3.000
 7JO  O36  C31  C30  110.24  3.000
 7JO  H15  C31  C26  109.41  3.000
 7JO  C30  C31  C26  102.47  3.000
 7JO  O36  C31  C26  113.73  3.000
 7JO  H16  O32  C26  107.65  3.000
 7JO  C29  N33  C28  119.14  3.000
 7JO  H18  N34  H17  117.84  3.000
 7JO  H18  N34  C28  120.63  3.000
 7JO  H17  N34  C28  119.84  3.000
 7JO  H20  C35  H19  106.36  3.000
 7JO  H20  C35  C37  109.24  3.000
 7JO  H19  C35  C37  107.67  3.000
 7JO  H20  C35  C30  109.37  3.000
 7JO  H19  C35  C30  107.07  3.000
 7JO  C37  C35  C30  116.63  3.000
 7JO  H21  O36  C31  108.99  3.000
 7JO  H22  C37  C38  108.82  3.000
 7JO  H22  C37  C35  108.77  3.000
 7JO  C38  C37  C35  109.68  3.000
 7JO  H22  C37  N15  108.93  3.000
 7JO  C38  C37  N15  111.90  3.000
 7JO  C35  C37  N15  108.69  3.000
 7JO  H25  C38  H24  108.42  3.000
 7JO  H25  C38  H23  107.88  3.000
 7JO  H24  C38  H23  108.10  3.000
 7JO  H25  C38  C37  111.62  3.000
 7JO  H24  C38  C37  110.62  3.000
 7JO  H23  C38  C37  110.09  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
 7JO  CONST_01  C1   C2   C3   C4     0.00   0.0  0
 7JO  CONST_02  C1   C6   C5   C4     0.00   0.0  0
 7JO  CONST_05  C2   C1   C6   C5     0.00   0.0  0
 7JO  CONST_06  C2   C3   C4   C5     0.00   0.0  0
 7JO  CONST_07  C11  C12  C7   C5   180.00   0.0  0
 7JO  CONST_08  C9   C8   C7   C5   180.00   0.0  0
 7JO  CONST_09  C3   C2   C1   C6     0.00   0.0  0
 7JO  CONST_10  C3   C4   C5   C6     0.00   0.0  0
 7JO  CONST_13  C1   C6   C5   C7   180.00   0.0  0
 7JO  CONST_14  C3   C4   C5   C7   180.00   0.0  0
 7JO  CONST_15  C10  C11  C12  C7     0.00   0.0  0
 7JO  CONST_16  C10  C9   C8   C7     0.00   0.0  0
 7JO  CONST_17  C11  C12  C7   C8     0.00   0.0  0
 7JO  CONST_18  C11  C10  C9   C8     0.00   0.0  0
 7JO  CONST_19  N27  C22  N19  C20    0.00   0.0  0
 7JO  CONST_20  N33  C29  N24  C20    0.00   0.0  0
 7JO  CONST_21  C22  N27  C23  C20    0.00   0.0  0
 7JO  CONST_22  N33  C28  C23  C20    0.00   0.0  0
 7JO  CONST_23  N24  C20  N19  C22  180.00   0.0  0
 7JO  CONST_24  C23  C20  N19  C22    0.00   0.0  0
 7JO  CONST_25  C28  C23  N27  C22  180.00   0.0  0
 7JO  CONST_26  N19  C20  C23  C28  180.00   0.0  0
 7JO  CONST_27  N24  C20  C23  C28    0.00   0.0  0
 7JO  CONST_28  N24  C29  N33  C28    0.00   0.0  0
 7JO  CONST_29  C12  C7   C8   C9     0.00   0.0  0
 7JO  CONST_30  C12  C11  C10  C9     0.00   0.0  0
 7JO  CONST_31  C23  N27  C22  N19    0.00   0.0  0
 7JO  CONST_32  C29  N24  C20  N19  180.00   0.0  0
 7JO  CONST_33  N27  C23  C20  N19    0.00   0.0  0
 7JO  CONST_34  C29  N24  C20  C23    0.00   0.0  0
 7JO  CONST_35  C29  N33  C28  C23    0.00   0.0  0
 7JO  CONST_36  N27  C23  C20  N24  180.00   0.0  0
 7JO  CONST_37  N33  C28  C23  N27  180.00   0.0  0
 7JO  CONST_38  N27  C22  N19  C21  180.00   0.0  0
 7JO  CONST_39  N24  C20  N19  C21    0.00   0.0  0
 7JO  CONST_40  C23  C20  N19  C21  180.00   0.0  0
 7JO  CONST_41  F13  C2   C3   C4   180.00   0.0  0
 7JO  CONST_42  F13  C2   C1   C6   180.00   0.0  0
 7JO  CONST_43  C14  C11  C12  C7   180.00   0.0  0
 7JO  CONST_44  O18  C9   C8   C7   180.00   0.0  0
 7JO  CONST_45  O17  C10  C9   C8   180.00   0.0  0
 7JO  CONST_46  N34  C28  C23  C20  180.00   0.0  0
 7JO  CONST_47  C14  C11  C10  C9   180.00   0.0  0
 7JO  CONST_48  O18  C9   C10  C11  180.00   0.0  0
 7JO  CONST_49  O17  C10  C11  C12  180.00   0.0  0
 7JO  CONST_50  N34  C28  C23  N27    0.00   0.0  0
 7JO  CONST_51  N34  C28  N33  C29  180.00   0.0  0
 7JO  CONST_52  H2   C6   C5   C4   180.00   0.0  0
 7JO  CONST_53  H7   C1   C6   C5   180.00   0.0  0
 7JO  CONST_54  H8   C3   C4   C5   180.00   0.0  0
 7JO  CONST_55  H9   C12  C7   C5     0.00   0.0  0
 7JO  CONST_56  H3   C8   C7   C5     0.00   0.0  0
 7JO  CONST_57  H1   C4   C5   C6   180.00   0.0  0
 7JO  CONST_58  H5   C22  N19  C20  180.00   0.0  0
 7JO  CONST_59  H13  C29  N24  C20  180.00   0.0  0
 7JO  CONST_60  H17  N34  C28  C23  180.00   0.0  0
 7JO  CONST_61  H18  N34  C28  C23    0.00   0.0  0
 7JO  CONST_62  C37  N15  C14  C11  180.00   0.0  0
 7JO  CONST_63  H10  N15  C14  C11    0.00   0.0  0
 7JO  CONST_64  C37  N15  C14  O16    0.00   0.0  0
 7JO  Var_01    O16  C14  C11  C10  -41.68  30.0  2

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
 7JO  chir_01  C21  C26  O25  N19  negativ
 7JO  chir_02  C26  O32  C31  C21  positiv
 7JO  chir_03  C30  O25  C31  C35  negativ
 7JO  chir_04  C31  O36  C30  C26  positiv
 7JO  chir_05  C37  N15  C35  C38  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
 7JO  plan-1  C5   0.020
 7JO  plan-1  C7   0.020
 7JO  plan-1  C8   0.020
 7JO  plan-1  C10  0.020
 7JO  plan-1  C9   0.020
 7JO  plan-1  C11  0.020
 7JO  plan-1  C12  0.020
 7JO  plan-1  C14  0.020
 7JO  plan-1  O17  0.020
 7JO  plan-1  O18  0.020
 7JO  plan-1  H3   0.020
 7JO  plan-1  H9   0.020
 7JO  plan-2  C4   0.020
 7JO  plan-2  C5   0.020
 7JO  plan-2  C6   0.020
 7JO  plan-2  C7   0.020
 7JO  plan-2  C1   0.020
 7JO  plan-2  C2   0.020
 7JO  plan-2  C3   0.020
 7JO  plan-2  F13  0.020
 7JO  plan-2  H1   0.020
 7JO  plan-2  H2   0.020
 7JO  plan-2  H7   0.020
 7JO  plan-2  H8   0.020
 7JO  plan-3  C20  0.020
 7JO  plan-3  C21  0.020
 7JO  plan-3  C22  0.020
 7JO  plan-3  C28  0.020
 7JO  plan-3  N19  0.020
 7JO  plan-3  C23  0.020
 7JO  plan-3  N24  0.020
 7JO  plan-3  N27  0.020
 7JO  plan-3  C29  0.020
 7JO  plan-3  N33  0.020
 7JO  plan-3  N34  0.020
 7JO  plan-3  H5   0.020
 7JO  plan-3  H13  0.020
 7JO  plan-4  C28  0.020
 7JO  plan-4  N34  0.020
 7JO  plan-4  H17  0.020
 7JO  plan-4  H18  0.020
 7JO  plan-5  C11  0.020
 7JO  plan-5  C14  0.020
 7JO  plan-5  N15  0.020
 7JO  plan-5  O16  0.020
 7JO  plan-5  C37  0.020
 7JO  plan-5  H10  0.020

