# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Apr 17 07:59:02 2020
#   Inital geometry file: a 151 line input string
#   Ligand name: ~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cccc2n(C)c(nc12)[C@H](CCCNC(=N)CF)NC(=O)c3cccc4CNC(=O)c34
#
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
 8FQ  8FQ  ~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide  ligand  61  34  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_8FQ
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
 8FQ  C27  C  CR16  0  -0.233  -2.5716  -3.9234   0.5912
 8FQ  C33  C  CR16  0  -0.264  -5.0060   3.9522   0.5142
 8FQ  C28  C  CR16  0  -0.292  -2.0289  -2.6576   0.3790
 8FQ  C26  C  CR16  0  -0.324  -1.7662  -5.0545   0.6478
 8FQ  C32  C  CR16  0  -0.339  -3.7160   4.1629   0.9588
 8FQ  C34  C  CR16  0  -0.420  -5.4223   2.7363  -0.0557
 8FQ  C20  C  CR56  0  -0.076   0.1385  -3.6304   0.2731
 8FQ  C19  C  CR6   0  -0.086  -0.6577  -2.4980   0.2134
 8FQ  C25  C  CR56  0   0.092  -0.4018  -4.8879   0.4885
 8FQ  C4   C  CR56  0   0.072  -3.2205   1.8693   0.2421
 8FQ  C31  C  CR56  0   0.346  -2.8387   3.0903   0.8027
 8FQ  C3   C  CR6   0   0.297  -4.5384   1.6758  -0.1979
 8FQ  C6   C  CR5   0   0.501  -1.1752   1.6564   0.7708
 8FQ  C21  C  CR5   0   0.525   1.6118  -3.7541   0.1636
 8FQ  C17  C  C     0   0.511  -0.1152  -1.1345  -0.1044
 8FQ  C13  C  C     0   0.340   6.0458   1.5576  -1.1782
 8FQ  C24  C  CH2   0  -0.273   0.7028  -5.8996   0.5076
 8FQ  C14  C  CH2   0  -0.065   7.3499   1.0733  -0.5890
 8FQ  C1   C  CH3   0  -0.436  -6.1599   0.2285  -1.1256
 8FQ  C9   C  CH2   0  -0.438   1.2388   1.6379   0.0149
 8FQ  C11  C  CH2   0  -0.264   3.6410   1.7033  -0.6914
 8FQ  C7   C  CH1   0  -0.210   0.1981   1.0722   0.9874
 8FQ  N5   N  N     0  -0.458  -2.1640   0.9976   0.2381
 8FQ  N15  N  N     0  -0.674   6.0491   2.1716  -2.2945
 8FQ  N29  N  NR5   0  -0.552  -1.5144   2.9298   1.1277
 8FQ  N23  N  NR15  0  -0.665   1.8689  -5.0726   0.2998
 8FQ  N16  N  NH1   0  -0.615   0.1000  -0.3715   0.9836
 8FQ  N12  N  NH1   0  -0.646   4.9755   1.2238  -0.4115
 8FQ  O22  O  O     0  -0.470   2.4223  -2.8588  -0.0063
 8FQ  O18  O  O     0  -0.461   0.0654  -0.7968  -1.2585
 8FQ  O2   O  O2    0  -0.455  -4.8300   0.4714  -0.7127
 8FQ  H1   H  HCR6  0   0.269  -3.6421  -4.0240   0.7132
 8FQ  H2   H  HCR6  0   0.257  -5.7346   4.7469   0.6070
 8FQ  H3   H  HCR6  0   0.274  -2.6777  -1.7906   0.3350
 8FQ  H4   H  HCR6  0   0.264  -2.1987  -6.0325   0.8159
 8FQ  H5   H  HCR6  0   0.263  -3.4142   5.1022   1.4023
 8FQ  H6   H  HCR6  0   0.275  -6.4519   2.6477  -0.3749
 8FQ  H7   H  HCH2  0   0.274   0.7509  -6.4354   1.4589
 8FQ  H8   H  HCH2  0   0.234   7.4899   1.4933   0.4103
 8FQ  H9   H  HCH2  0   0.238   7.3357  -0.0156  -0.5005
 8FQ  H11  H  HCH3  0   0.266  -0.9839   3.8547   2.9354
 8FQ  H12  H  HCH3  0   0.267   0.3256   3.7052   1.7568
 8FQ  H13  H  HCH3  0   0.268  -0.9387   4.8943   1.5013
 8FQ  H14  H  HCH3  0   0.258  -6.1917  -0.7990  -1.4793
 8FQ  H15  H  HCH3  0   0.228  -6.8683   0.3413  -0.3011
 8FQ  H16  H  HCH3  0   0.228  -6.4625   0.8906  -1.9412
 8FQ  H17  H  HCH2  0   0.230   2.9298   1.2711   1.2902
 8FQ  H18  H  HCH2  0   0.259   2.6368  -0.0099   0.1214
 8FQ  H19  H  HCH2  0   0.243   1.2680   2.7222   0.1499
 8FQ  H20  H  HCH2  0   0.258   0.9251   1.4637  -1.0128
 8FQ  H21  H  HCH2  0   0.235   3.3743   1.4450  -1.7205
 8FQ  H22  H  HCH2  0   0.228   3.5918   2.7972  -0.6166
 8FQ  H23  H  HCH1  0   0.289   0.5240   1.3334   1.9992
 8FQ  H24  H  H     0   0.333   5.1126   2.4425  -2.5785
 8FQ  H25  H  HNH1  0   0.408  -0.1630  -0.7772   1.8677
 8FQ  H26  H  HNH1  0   0.391   5.1564   0.9291   0.5357
 8FQ  F1   F  F     0  -0.360   8.4137   1.4442  -1.3786
 8FQ  H27  H  HCH2  0   0.274   0.5878  -6.6420  -0.2862
 8FQ  H10  H  HNR5  0   0.408   2.8032  -5.4492   0.2769
 8FQ  C30  C  CH3   0  -0.545  -0.7369   3.8927   1.8748
 8FQ  C10  C  CH2   0  -0.480   2.6315   1.0738   0.2546

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
 8FQ  C27  C26  aromatic  1.390  0.020  1.390
 8FQ  C27  C28  aromatic  1.394  0.020  1.394
 8FQ  C26  C25  aromatic  1.384  0.020  1.384
 8FQ  C28  C19  aromatic  1.390  0.020  1.390
 8FQ  C25  C24  single    1.498  0.020  1.498
 8FQ  C25  C20  aromatic  1.385  0.020  1.385
 8FQ  C24  N23  single    1.445  0.020  1.445
 8FQ  C30  N29  single    1.446  0.020  1.446
 8FQ  C19  C20  aromatic  1.386  0.020  1.386
 8FQ  C19  C17  single    1.501  0.020  1.501
 8FQ  C20  C21  single    1.483  0.020  1.483
 8FQ  N16  C17  single    1.346  0.020  1.346
 8FQ  N16  C7   single    1.447  0.020  1.447
 8FQ  C32  C31  aromatic  1.394  0.020  1.394
 8FQ  C32  C33  aromatic  1.381  0.020  1.381
 8FQ  N23  C21  single    1.350  0.020  1.350
 8FQ  N29  C31  aromatic  1.373  0.020  1.373
 8FQ  N29  C6   aromatic  1.365  0.020  1.365
 8FQ  C17  O18  double    1.216  0.020  1.216
 8FQ  C21  O22  double    1.220  0.020  1.220
 8FQ  C31  C4   aromatic  1.397  0.020  1.397
 8FQ  C9   C7   single    1.533  0.020  1.533
 8FQ  C9   C10  single    1.522  0.020  1.522
 8FQ  C33  C34  aromatic  1.406  0.020  1.406
 8FQ  C7   C6   single    1.508  0.020  1.508
 8FQ  C6   N5   aromatic  1.302  0.020  1.302
 8FQ  C14  C13  single    1.511  0.020  1.511
 8FQ  C11  C10  single    1.520  0.020  1.520
 8FQ  C11  N12  single    1.445  0.020  1.445
 8FQ  C4   N5   aromatic  1.370  0.020  1.370
 8FQ  C4   C3   aromatic  1.403  0.020  1.403
 8FQ  C34  C3   aromatic  1.388  0.020  1.388
 8FQ  N12  C13  single    1.358  0.020  1.358
 8FQ  C13  N15  double    1.274  0.020  1.274
 8FQ  C3   O2   single    1.342  0.020  1.342
 8FQ  O2   C1   single    1.414  0.020  1.414
 8FQ  C27  H1   single    0.930  0.020  1.080
 8FQ  C33  H2   single    0.930  0.020  1.080
 8FQ  C28  H3   single    0.930  0.020  1.080
 8FQ  C26  H4   single    0.930  0.020  1.080
 8FQ  C32  H5   single    0.930  0.020  1.080
 8FQ  C34  H6   single    0.930  0.020  1.080
 8FQ  C24  H7   single    0.970  0.020  1.090
 8FQ  C14  H8   single    0.970  0.020  1.090
 8FQ  C14  H9   single    0.970  0.020  1.090
 8FQ  C30  H11  single    0.970  0.020  1.090
 8FQ  C30  H12  single    0.970  0.020  1.090
 8FQ  C30  H13  single    0.970  0.020  1.090
 8FQ  C1   H14  single    0.970  0.020  1.090
 8FQ  C1   H15  single    0.970  0.020  1.090
 8FQ  C1   H16  single    0.970  0.020  1.090
 8FQ  C10  H17  single    0.970  0.020  1.090
 8FQ  C10  H18  single    0.970  0.020  1.090
 8FQ  C9   H19  single    0.970  0.020  1.090
 8FQ  C9   H20  single    0.970  0.020  1.090
 8FQ  C11  H21  single    0.970  0.020  1.090
 8FQ  C11  H22  single    0.970  0.020  1.090
 8FQ  C7   H23  single    0.970  0.020  1.090
 8FQ  N15  H24  single    0.890  0.020  1.040
 8FQ  N16  H25  single    0.890  0.020  1.040
 8FQ  N12  H26  single    0.890  0.020  1.040
 8FQ  C14  F1   single    1.376  0.020  1.376
 8FQ  C24  H27  single    0.970  0.020  1.090
 8FQ  N23  H10  single    0.860  0.020  1.020

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
 8FQ  H1   C27  C26  119.55  3.000
 8FQ  H1   C27  C28  119.14  3.000
 8FQ  C26  C27  C28  121.32  3.000
 8FQ  H2   C33  C34  118.07  3.000
 8FQ  H2   C33  C32  119.30  3.000
 8FQ  C34  C33  C32  122.62  3.000
 8FQ  H3   C28  C19  119.59  3.000
 8FQ  H3   C28  C27  119.98  3.000
 8FQ  C19  C28  C27  120.43  3.000
 8FQ  H4   C26  C25  121.38  3.000
 8FQ  H4   C26  C27  120.67  3.000
 8FQ  C25  C26  C27  117.95  3.000
 8FQ  H5   C32  C31  122.57  3.000
 8FQ  H5   C32  C33  121.68  3.000
 8FQ  C31  C32  C33  115.75  3.000
 8FQ  H6   C34  C3   120.89  3.000
 8FQ  H6   C34  C33  118.18  3.000
 8FQ  C3   C34  C33  120.92  3.000
 8FQ  C21  C20  C25  108.86  3.000
 8FQ  C21  C20  C19  129.49  3.000
 8FQ  C25  C20  C19  121.63  3.000
 8FQ  C17  C19  C20  122.94  3.000
 8FQ  C17  C19  C28  119.06  3.000
 8FQ  C20  C19  C28  117.89  3.000
 8FQ  C24  C25  C20  109.12  3.000
 8FQ  C20  C25  C26  120.78  3.000
 8FQ  C24  C25  C26  130.11  3.000
 8FQ  N5   C4   C3   129.49  3.000
 8FQ  C3   C4   C31  120.22  3.000
 8FQ  N5   C4   C31  110.29  3.000
 8FQ  N29  C31  C4   104.86  3.000
 8FQ  C4   C31  C32  123.05  3.000
 8FQ  N29  C31  C32  132.08  3.000
 8FQ  O2   C3   C4   116.63  3.000
 8FQ  O2   C3   C34  125.93  3.000
 8FQ  C4   C3   C34  117.44  3.000
 8FQ  N29  C6   N5   112.97  3.000
 8FQ  N5   C6   C7   123.66  3.000
 8FQ  N29  C6   C7   123.37  3.000
 8FQ  O22  C21  N23  127.18  3.000
 8FQ  O22  C21  C20  127.56  3.000
 8FQ  N23  C21  C20  105.26  3.000
 8FQ  O18  C17  N16  125.86  3.000
 8FQ  O18  C17  C19  120.45  3.000
 8FQ  N16  C17  C19  113.67  3.000
 8FQ  N12  C13  N15  127.96  3.000
 8FQ  N15  C13  C14  119.60  3.000
 8FQ  N12  C13  C14  112.41  3.000
 8FQ  H27  C24  H7   107.69  3.000
 8FQ  H27  C24  N23  111.67  3.000
 8FQ  H7   C24  N23  111.74  3.000
 8FQ  H27  C24  C25  111.83  3.000
 8FQ  H7   C24  C25  112.01  3.000
 8FQ  N23  C24  C25  101.93  3.000
 8FQ  F1   C14  H9   108.98  3.000
 8FQ  F1   C14  H8   108.79  3.000
 8FQ  H9   C14  H8   108.10  3.000
 8FQ  F1   C14  C13  110.93  3.000
 8FQ  H9   C14  C13  109.87  3.000
 8FQ  H8   C14  C13  110.12  3.000
 8FQ  H16  C1   H15  108.72  3.000
 8FQ  H16  C1   H14  108.76  3.000
 8FQ  H15  C1   H14  108.91  3.000
 8FQ  H16  C1   O2   111.98  3.000
 8FQ  H15  C1   O2   111.82  3.000
 8FQ  H14  C1   O2   106.55  3.000
 8FQ  H20  C9   H19  106.45  3.000
 8FQ  H20  C9   C7   110.14  3.000
 8FQ  H19  C9   C7   107.81  3.000
 8FQ  H20  C9   C10  110.68  3.000
 8FQ  H19  C9   C10  108.89  3.000
 8FQ  C7   C9   C10  112.62  3.000
 8FQ  H22  C11  H21  106.77  3.000
 8FQ  H22  C11  N12  111.03  3.000
 8FQ  H21  C11  N12  109.20  3.000
 8FQ  H22  C11  C10  109.91  3.000
 8FQ  H21  C11  C10  109.02  3.000
 8FQ  N12  C11  C10  110.81  3.000
 8FQ  H23  C7   N16  105.11  3.000
 8FQ  H23  C7   C9   107.24  3.000
 8FQ  N16  C7   C9   114.37  3.000
 8FQ  H23  C7   C6   108.15  3.000
 8FQ  C9   C7   C6   112.59  3.000
 8FQ  N16  C7   C6   108.93  3.000
 8FQ  C6   N5   C4   105.22  3.000
 8FQ  H24  N15  C13  111.80  3.000
 8FQ  C30  N29  C6   128.51  3.000
 8FQ  C6   N29  C31  106.66  3.000
 8FQ  C30  N29  C31  124.28  3.000
 8FQ  H10  N23  C24  122.53  3.000
 8FQ  H10  N23  C21  122.64  3.000
 8FQ  C24  N23  C21  114.82  3.000
 8FQ  H25  N16  C7   114.65  3.000
 8FQ  H25  N16  C17  116.05  3.000
 8FQ  C7   N16  C17  125.35  3.000
 8FQ  H26  N12  C11  116.39  3.000
 8FQ  H26  N12  C13  117.43  3.000
 8FQ  C11  N12  C13  122.46  3.000
 8FQ  C1   O2   C3   118.08  3.000
 8FQ  H13  C30  H12  107.65  3.000
 8FQ  H13  C30  H11  108.92  3.000
 8FQ  H12  C30  H11  108.77  3.000
 8FQ  H13  C30  N29  109.63  3.000
 8FQ  H12  C30  N29  110.81  3.000
 8FQ  H11  C30  N29  110.98  3.000
 8FQ  H18  C10  H17  107.02  3.000
 8FQ  H18  C10  C11  109.38  3.000
 8FQ  H17  C10  C11  109.45  3.000
 8FQ  H18  C10  C9   110.68  3.000
 8FQ  H17  C10  C9   109.35  3.000
 8FQ  C11  C10  C9   110.87  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
 8FQ  CONST_01  C20  C25  C26  C27     0.00   0.0  0
 8FQ  CONST_02  C20  C19  C28  C27     0.00   0.0  0
 8FQ  CONST_03  N29  C31  C32  C33   180.00   0.0  0
 8FQ  CONST_04  C4   C31  C32  C33     0.00   0.0  0
 8FQ  CONST_05  C4   C3   C34  C33     0.00   0.0  0
 8FQ  CONST_06  C25  C26  C27  C28     0.00   0.0  0
 8FQ  CONST_07  C25  C20  C19  C28     0.00   0.0  0
 8FQ  CONST_08  C19  C28  C27  C26     0.00   0.0  0
 8FQ  CONST_09  C19  C20  C25  C26     0.00   0.0  0
 8FQ  CONST_10  C6   N29  C31  C32   180.00   0.0  0
 8FQ  CONST_11  N5   C4   C31  C32   180.00   0.0  0
 8FQ  CONST_12  C3   C4   C31  C32     0.00   0.0  0
 8FQ  CONST_13  C3   C34  C33  C32     0.00   0.0  0
 8FQ  CONST_14  C31  C32  C33  C34     0.00   0.0  0
 8FQ  CONST_15  C31  C4   C3   C34     0.00   0.0  0
 8FQ  CONST_16  N5   C4   C3   C34   180.00   0.0  0
 8FQ  CONST_17  C6   N29  C31  C4      0.00   0.0  0
 8FQ  CONST_18  N29  C6   N5   C4      0.00   0.0  0
 8FQ  CONST_19  N5   C6   N29  C31     0.00   0.0  0
 8FQ  CONST_20  C6   N5   C4   C31     0.00   0.0  0
 8FQ  CONST_21  N29  C31  C4   C3    180.00   0.0  0
 8FQ  CONST_22  C6   N5   C4   C3    180.00   0.0  0
 8FQ  CONST_23  N29  C31  C4   N5      0.00   0.0  0
 8FQ  CONST_24  C24  N23  C21  C20     0.00   0.0  0
 8FQ  CONST_25  C17  C19  C28  C27   180.00   0.0  0
 8FQ  CONST_26  O2   C3   C34  C33   180.00   0.0  0
 8FQ  CONST_27  C30  N29  C31  C32     0.00   0.0  0
 8FQ  CONST_28  C17  C19  C20  C25   180.00   0.0  0
 8FQ  CONST_29  C30  N29  C31  C4    180.00   0.0  0
 8FQ  CONST_30  C7   C6   N5   C4    180.00   0.0  0
 8FQ  CONST_31  C7   C6   N29  C31   180.00   0.0  0
 8FQ  CONST_32  O2   C3   C4   C31   180.00   0.0  0
 8FQ  CONST_33  C17  C19  C20  C21     0.00   0.0  0
 8FQ  CONST_34  N5   C6   N29  C30   180.00   0.0  0
 8FQ  CONST_35  O2   C3   C4   N5      0.00   0.0  0
 8FQ  CONST_36  O22  C21  N23  C24   180.00   0.0  0
 8FQ  CONST_37  H4   C26  C27  C28   180.00   0.0  0
 8FQ  CONST_38  H3   C28  C27  C26   180.00   0.0  0
 8FQ  CONST_39  H6   C34  C33  C32   180.00   0.0  0
 8FQ  CONST_40  H5   C32  C33  C34   180.00   0.0  0
 8FQ  CONST_41  H1   C27  C28  C19   180.00   0.0  0
 8FQ  CONST_42  H2   C33  C32  C31   180.00   0.0  0
 8FQ  CONST_43  H10  N23  C21  C20   180.00   0.0  0
 8FQ  CONST_45  H25  N16  C17  C19     0.00   0.0  0
 8FQ  CONST_47  C11  N12  C13  C14   180.00   0.0  0
 8FQ  CONST_48  N15  C13  N12  C11     0.00   0.0  0
 8FQ  CONST_50  H24  N15  C13  C14   180.00   0.0  0
 8FQ  Var_01    H7   C24  C25  C26   -59.75  30.0  1
 8FQ  Var_02    N16  C17  C19  C28    85.08  30.0  2
 8FQ  Var_03    H11  C30  N29  C31    76.07  30.0  2
 8FQ  Var_04    H14  C1   O2   C3   -178.35  30.0  3
 8FQ  Var_05    C10  C11  N12  C13   175.07  30.0  1
 8FQ  Var_06    N12  C11  C10  C9    176.70  30.0  2
 8FQ  Var_07    C7   C9   C10  C11  -177.64  30.0  1
 8FQ  Var_08    F1   C14  C13  N15     2.60  30.0  1

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
 8FQ  chir_01  C7  N16  C9  C6  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
 8FQ  plan-1  C33  0.020
 8FQ  plan-1  C32  0.020
 8FQ  plan-1  C34  0.020
 8FQ  plan-1  C4   0.020
 8FQ  plan-1  C31  0.020
 8FQ  plan-1  C3   0.020
 8FQ  plan-1  C6   0.020
 8FQ  plan-1  C7   0.020
 8FQ  plan-1  N5   0.020
 8FQ  plan-1  N29  0.020
 8FQ  plan-1  O2   0.020
 8FQ  plan-1  H2   0.020
 8FQ  plan-1  H5   0.020
 8FQ  plan-1  H6   0.020
 8FQ  plan-1  C30  0.020
 8FQ  plan-2  C19  0.020
 8FQ  plan-2  C17  0.020
 8FQ  plan-2  C7   0.020
 8FQ  plan-2  N16  0.020
 8FQ  plan-2  O18  0.020
 8FQ  plan-2  H25  0.020
 8FQ  plan-3  C13  0.020
 8FQ  plan-3  C14  0.020
 8FQ  plan-3  C11  0.020
 8FQ  plan-3  N15  0.020
 8FQ  plan-3  N12  0.020
 8FQ  plan-3  H24  0.020
 8FQ  plan-3  H26  0.020
 8FQ  plan-4  C27  0.020
 8FQ  plan-4  C28  0.020
 8FQ  plan-4  C26  0.020
 8FQ  plan-4  C20  0.020
 8FQ  plan-4  C19  0.020
 8FQ  plan-4  C25  0.020
 8FQ  plan-4  C21  0.020
 8FQ  plan-4  C17  0.020
 8FQ  plan-4  C24  0.020
 8FQ  plan-4  N23  0.020
 8FQ  plan-4  O22  0.020
 8FQ  plan-4  H1   0.020
 8FQ  plan-4  H3   0.020
 8FQ  plan-4  H4   0.020
 8FQ  plan-4  H10  0.020

