# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Jul 29 18:49:36 2022
#   Inital geometry file: a 144 line input string
#   Ligand name: 5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC1=C(Cc2ccccc2)C(=O)N(CCc3ccccc3)C(=N1)c4cccc(F)c4O
#
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
 07F  07F  "5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one"  ligand  54  31  .  2022-09-22  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_07F
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
 07F  N1   N  N     0  -0.443  -16.2072  -12.7593  -22.1372
 07F  C4   C  CR6   0  -0.150  -14.3714  -12.1260  -20.7918
 07F  C5   C  CR16  0  -0.243  -13.2574  -12.3700  -21.5865
 07F  C6   C  CR16  0  -0.265  -12.0495  -12.7334  -21.0160
 07F  C7   C  CR16  0  -0.404  -11.9537  -12.8746  -19.6377
 07F  C8   C  CR6   0   0.454  -13.0681  -12.6472  -18.8625
 07F  C13  C  CR16  0  -0.294  -12.7724   -9.0151  -22.5054
 07F  C15  C  CR16  0  -0.270  -12.3991  -10.2303  -24.5481
 07F  C17  C  CR16  0  -0.303  -14.6380   -9.7041  -23.8385
 07F  C21  C  CR6   0   0.141  -19.3144  -10.6722  -24.6153
 07F  C22  C  CR16  0  -0.292  -18.6164   -9.5052  -24.9278
 07F  C24  C  CR16  0  -0.270  -19.0400   -9.8366  -27.2756
 07F  C26  C  CR16  0  -0.322  -19.8759  -11.4071  -25.6549
 07F  C2   C  CR6   0   0.231  -17.4106  -12.5387  -22.7312
 07F  C3   C  CR6   0   0.484  -15.6758  -11.8172  -21.4272
 07F  F1   F  F     0  -0.318  -12.9963  -12.7914  -17.5262
 07F  C9   C  CR6   0   0.225  -14.2932  -12.2758  -19.4075
 07F  O1   O  OH1   0  -0.612  -15.3961  -12.0560  -18.6754
 07F  N2   N  NR6   0  -0.519  -16.2602  -10.6089  -21.2343
 07F  C11  C  CH2   0  -0.535  -15.0916   -8.4670  -21.6911
 07F  C12  C  CR6   0   0.119  -14.1508   -9.0624  -22.7008
 07F  C14  C  CR16  0  -0.235  -11.9016   -9.5879  -23.4219
 07F  C16  C  CR16  0  -0.244  -13.7713  -10.2879  -24.7531
 07F  C18  C  CR6   0   0.559  -17.5495  -10.3511  -21.7160
 07F  O2   O  O     0  -0.484  -18.0924   -9.2840  -21.4592
 07F  C19  C  CR6   0  -0.087  -18.1199  -11.3891  -22.5329
 07F  C23  C  CR16  0  -0.238  -18.4781   -9.0923  -26.2446
 07F  C25  C  CR16  0  -0.240  -19.7423  -10.9946  -26.9758
 07F  H1   H  HCR6  0   0.271  -13.3413  -12.2559  -22.6589
 07F  H2   H  HCR6  0   0.267  -11.1830  -12.9077  -21.6382
 07F  H3   H  HCR6  0   0.287  -11.0232  -13.1619  -19.1651
 07F  H4   H  HCH2  0   0.283  -14.6805   -9.8502  -20.1002
 07F  H5   H  HCH2  0   0.279  -16.2016   -8.9997  -19.9101
 07F  H7   H  HCR6  0   0.252  -11.7220  -10.6794  -25.2633
 07F  H8   H  HCR6  0   0.255  -15.7061   -9.7391  -24.0228
 07F  H11  H  HCR6  0   0.252  -18.1816   -8.9079  -24.1354
 07F  H12  H  HCR6  0   0.251  -18.9306   -9.5146  -28.3031
 07F  H13  H  HCR6  0   0.249  -20.4211  -12.3163  -25.4294
 07F  H17  H  HOH1  0   0.482  -15.2272  -12.1641  -17.7314
 07F  H18  H  HCH2  0   0.267  -14.5996   -7.6545  -21.1522
 07F  H19  H  HCH2  0   0.267  -15.9582   -8.0326  -22.1898
 07F  H20  H  HCR6  0   0.251  -10.8333   -9.5347  -23.2551
 07F  H21  H  HCR6  0   0.252  -14.1698  -10.7812  -25.6306
 07F  H22  H  HCR6  0   0.252  -17.9318   -8.1843  -26.4666
 07F  H23  H  HCR6  0   0.252  -20.1851  -11.5829  -27.7694
 07F  C10  C  CH2   0  -0.322  -15.5482   -9.4785  -20.6356
 07F  C20  C  CH2   0  -0.608  -19.4514  -11.1309  -23.1814
 07F  C1   C  CH3   0  -0.753  -17.9068  -13.6427  -23.6098
 07F  H6   H  HCR6  0   0.246  -12.3757   -8.5192  -21.6268
 07F  H9   H  HCH2  0   0.277  -19.9911  -10.3762  -22.6072
 07F  H10  H  HCH2  0   0.269  -20.0633  -12.0343  -23.1500
 07F  H14  H  HCH3  0   0.260  -17.2531  -14.5085  -23.5380
 07F  H15  H  HCH3  0   0.256  -18.9190  -13.9495  -23.3426
 07F  H16  H  HCH3  0   0.262  -17.9397  -13.3233  -24.6532

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
 07F  C24  C25  aromatic  1.387  0.020  1.387
 07F  C24  C23  aromatic  1.390  0.020  1.390
 07F  C25  C26  aromatic  1.390  0.020  1.390
 07F  C23  C22  aromatic  1.387  0.020  1.387
 07F  C26  C21  aromatic  1.391  0.020  1.391
 07F  C22  C21  aromatic  1.395  0.020  1.395
 07F  C21  C20  single    1.512  0.020  1.512
 07F  C16  C15  aromatic  1.389  0.020  1.389
 07F  C16  C17  aromatic  1.389  0.020  1.389
 07F  C15  C14  aromatic  1.389  0.020  1.389
 07F  C17  C12  aromatic  1.394  0.020  1.394
 07F  C20  C19  single    1.503  0.020  1.503
 07F  C1   C2   single    1.496  0.020  1.496
 07F  C14  C13  aromatic  1.388  0.020  1.388
 07F  C12  C13  aromatic  1.393  0.020  1.393
 07F  C12  C11  single    1.503  0.020  1.503
 07F  C19  C2   double    1.365  0.020  1.365
 07F  C19  C18  single    1.439  0.020  1.439
 07F  C2   N1   single    1.360  0.020  1.360
 07F  C5   C6   aromatic  1.384  0.020  1.384
 07F  C5   C4   aromatic  1.390  0.020  1.390
 07F  C11  C10  single    1.532  0.020  1.532
 07F  N1   C3   double    1.294  0.020  1.294
 07F  C18  O2   double    1.225  0.020  1.225
 07F  C18  N2   single    1.400  0.020  1.400
 07F  N2   C3   single    1.356  0.020  1.356
 07F  N2   C10  single    1.464  0.020  1.464
 07F  C3   C4   single    1.483  0.020  1.483
 07F  C6   C7   aromatic  1.389  0.020  1.389
 07F  C4   C9   aromatic  1.395  0.020  1.395
 07F  C7   C8   aromatic  1.376  0.020  1.376
 07F  C9   C8   aromatic  1.391  0.020  1.391
 07F  C9   O1   single    1.342  0.020  1.342
 07F  C8   F1   single    1.346  0.020  1.346
 07F  C5   H1   single    0.930  0.020  1.080
 07F  C6   H2   single    0.930  0.020  1.080
 07F  C7   H3   single    0.930  0.020  1.080
 07F  C10  H4   single    0.970  0.020  1.090
 07F  C10  H5   single    0.970  0.020  1.090
 07F  C13  H6   single    0.930  0.020  1.080
 07F  C15  H7   single    0.930  0.020  1.080
 07F  C17  H8   single    0.930  0.020  1.080
 07F  C20  H9   single    0.970  0.020  1.090
 07F  C20  H10  single    0.970  0.020  1.090
 07F  C22  H11  single    0.930  0.020  1.080
 07F  C24  H12  single    0.930  0.020  1.080
 07F  C26  H13  single    0.930  0.020  1.080
 07F  C1   H14  single    0.970  0.020  1.090
 07F  C1   H15  single    0.970  0.020  1.090
 07F  C1   H16  single    0.970  0.020  1.090
 07F  O1   H17  single    0.850  0.020  0.980
 07F  C11  H18  single    0.970  0.020  1.090
 07F  C11  H19  single    0.970  0.020  1.090
 07F  C14  H20  single    0.930  0.020  1.080
 07F  C16  H21  single    0.930  0.020  1.080
 07F  C23  H22  single    0.930  0.020  1.080
 07F  C25  H23  single    0.930  0.020  1.080

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
 07F  C3   N1   C2   119.01  3.000
 07F  C9   C4   C3   119.79  3.000
 07F  C9   C4   C5   120.24  3.000
 07F  C3   C4   C5   119.76  3.000
 07F  H1   C5   C6   120.26  3.000
 07F  H1   C5   C4   119.08  3.000
 07F  C6   C5   C4   120.65  3.000
 07F  H2   C6   C7   119.98  3.000
 07F  H2   C6   C5   120.30  3.000
 07F  C7   C6   C5   119.72  3.000
 07F  H3   C7   C8   119.61  3.000
 07F  H3   C7   C6   121.30  3.000
 07F  C8   C7   C6   119.10  3.000
 07F  C9   C8   F1   117.67  3.000
 07F  F1   C8   C7   119.88  3.000
 07F  C9   C8   C7   122.44  3.000
 07F  H6   C13  C14  119.63  3.000
 07F  H6   C13  C12  119.43  3.000
 07F  C14  C13  C12  120.95  3.000
 07F  H7   C15  C16  120.23  3.000
 07F  H7   C15  C14  120.24  3.000
 07F  C16  C15  C14  119.53  3.000
 07F  H8   C17  C16  119.29  3.000
 07F  H8   C17  C12  119.85  3.000
 07F  C16  C17  C12  120.86  3.000
 07F  C26  C21  C22  118.44  3.000
 07F  C22  C21  C20  120.77  3.000
 07F  C26  C21  C20  120.79  3.000
 07F  H11  C22  C23  119.36  3.000
 07F  H11  C22  C21  119.87  3.000
 07F  C23  C22  C21  120.77  3.000
 07F  H12  C24  C25  120.31  3.000
 07F  H12  C24  C23  120.26  3.000
 07F  C25  C24  C23  119.43  3.000
 07F  H13  C26  C25  119.66  3.000
 07F  H13  C26  C21  119.38  3.000
 07F  C25  C26  C21  120.96  3.000
 07F  C19  C2   C1   122.31  3.000
 07F  C19  C2   N1   122.19  3.000
 07F  C1   C2   N1   115.49  3.000
 07F  N2   C3   C4   120.23  3.000
 07F  C4   C3   N1   116.39  3.000
 07F  N2   C3   N1   123.36  3.000
 07F  O1   C9   C8   123.63  3.000
 07F  O1   C9   C4   118.54  3.000
 07F  C8   C9   C4   117.83  3.000
 07F  H17  O1   C9   111.80  3.000
 07F  C18  N2   C3   120.79  3.000
 07F  C3   N2   C10  122.46  3.000
 07F  C18  N2   C10  116.51  3.000
 07F  H19  C11  H18  106.71  3.000
 07F  H19  C11  C12  110.38  3.000
 07F  H18  C11  C12  110.13  3.000
 07F  H19  C11  C10  109.96  3.000
 07F  H18  C11  C10  106.59  3.000
 07F  C12  C11  C10  112.83  3.000
 07F  C11  C12  C17  120.79  3.000
 07F  C11  C12  C13  120.78  3.000
 07F  C17  C12  C13  118.42  3.000
 07F  H20  C14  C15  120.08  3.000
 07F  H20  C14  C13  119.81  3.000
 07F  C15  C14  C13  120.11  3.000
 07F  H21  C16  C17  119.72  3.000
 07F  H21  C16  C15  120.14  3.000
 07F  C17  C16  C15  120.14  3.000
 07F  C19  C18  O2   124.89  3.000
 07F  O2   C18  N2   119.77  3.000
 07F  C19  C18  N2   115.31  3.000
 07F  C18  C19  C2   118.95  3.000
 07F  C18  C19  C20  118.17  3.000
 07F  C2   C19  C20  122.83  3.000
 07F  H22  C23  C24  120.06  3.000
 07F  H22  C23  C22  119.65  3.000
 07F  C24  C23  C22  120.29  3.000
 07F  H23  C25  C26  119.73  3.000
 07F  H23  C25  C24  120.16  3.000
 07F  C26  C25  C24  120.11  3.000
 07F  H5   C10  H4   107.58  3.000
 07F  H5   C10  C11  110.37  3.000
 07F  H4   C10  C11  109.14  3.000
 07F  H5   C10  N2   108.70  3.000
 07F  H4   C10  N2   109.04  3.000
 07F  C11  C10  N2   111.91  3.000
 07F  H10  C20  H9   106.26  3.000
 07F  H10  C20  C19  109.99  3.000
 07F  H9   C20  C19  109.26  3.000
 07F  H10  C20  C21  109.22  3.000
 07F  H9   C20  C21  109.52  3.000
 07F  C19  C20  C21  112.40  3.000
 07F  H16  C1   H15  106.76  3.000
 07F  H16  C1   H14  108.31  3.000
 07F  H15  C1   H14  108.53  3.000
 07F  H16  C1   C2   110.82  3.000
 07F  H15  C1   C2   111.81  3.000
 07F  H14  C1   C2   110.46  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
 07F  CONST_01  C7   C6   C5   C4      0.00   0.0  0
 07F  CONST_02  C7   C8   C9   C4      0.00   0.0  0
 07F  CONST_03  C8   C7   C6   C5      0.00   0.0  0
 07F  CONST_04  C8   C9   C4   C5      0.00   0.0  0
 07F  CONST_05  C9   C4   C5   C6      0.00   0.0  0
 07F  CONST_06  C9   C8   C7   C6      0.00   0.0  0
 07F  CONST_07  C16  C15  C14  C13     0.00   0.0  0
 07F  CONST_08  C16  C17  C12  C13     0.00   0.0  0
 07F  CONST_09  C12  C17  C16  C15     0.00   0.0  0
 07F  CONST_10  C12  C13  C14  C15     0.00   0.0  0
 07F  CONST_11  C14  C15  C16  C17     0.00   0.0  0
 07F  CONST_12  C14  C13  C12  C17     0.00   0.0  0
 07F  CONST_13  C24  C25  C26  C21     0.00   0.0  0
 07F  CONST_14  C24  C23  C22  C21     0.00   0.0  0
 07F  CONST_15  C25  C24  C23  C22     0.00   0.0  0
 07F  CONST_16  C25  C26  C21  C22     0.00   0.0  0
 07F  CONST_17  C23  C24  C25  C26     0.00   0.0  0
 07F  CONST_18  C23  C22  C21  C26     0.00   0.0  0
 07F  CONST_19  C3   C4   C5   C6    180.00   0.0  0
 07F  CONST_20  C3   C4   C9   C8    180.00   0.0  0
 07F  CONST_21  C18  N2   C3   N1      0.00   0.0  0
 07F  CONST_22  C2   N1   C3   C4    180.00   0.0  0
 07F  CONST_23  C18  N2   C3   C4    180.00   0.0  0
 07F  CONST_24  N2   C3   N1   C2      0.00   0.0  0
 07F  CONST_25  C19  C18  N2   C3      0.00   0.0  0
 07F  CONST_26  F1   C8   C9   C4    180.00   0.0  0
 07F  CONST_27  O1   C9   C4   C5    180.00   0.0  0
 07F  CONST_28  F1   C8   C7   C6    180.00   0.0  0
 07F  CONST_29  O1   C9   C8   C7    180.00   0.0  0
 07F  CONST_30  C25  C26  C21  C20   180.00   0.0  0
 07F  CONST_31  C23  C22  C21  C20   180.00   0.0  0
 07F  CONST_32  O1   C9   C4   C3      0.00   0.0  0
 07F  CONST_33  C16  C17  C12  C11   180.00   0.0  0
 07F  CONST_34  C14  C13  C12  C11   180.00   0.0  0
 07F  CONST_35  C10  N2   C3   N1    180.00   0.0  0
 07F  CONST_36  C10  N2   C3   C4      0.00   0.0  0
 07F  CONST_37  C19  C18  N2   C10   180.00   0.0  0
 07F  CONST_38  O2   C18  N2   C3    180.00   0.0  0
 07F  CONST_39  H2   C6   C5   C4    180.00   0.0  0
 07F  CONST_40  H3   C7   C6   C5    180.00   0.0  0
 07F  CONST_41  H1   C5   C6   C7    180.00   0.0  0
 07F  CONST_42  H2   C6   C7   C8    180.00   0.0  0
 07F  CONST_43  H7   C15  C14  C13   180.00   0.0  0
 07F  CONST_44  H8   C17  C12  C13   180.00   0.0  0
 07F  CONST_45  H8   C17  C16  C15   180.00   0.0  0
 07F  CONST_46  H6   C13  C14  C15   180.00   0.0  0
 07F  CONST_47  H7   C15  C16  C17   180.00   0.0  0
 07F  CONST_48  H6   C13  C12  C17   180.00   0.0  0
 07F  CONST_49  H23  C25  C26  C21   180.00   0.0  0
 07F  CONST_50  H22  C23  C22  C21   180.00   0.0  0
 07F  CONST_51  H12  C24  C23  C22   180.00   0.0  0
 07F  CONST_52  H13  C26  C21  C22   180.00   0.0  0
 07F  CONST_53  H13  C26  C25  C24   180.00   0.0  0
 07F  CONST_54  H11  C22  C23  C24   180.00   0.0  0
 07F  CONST_55  H12  C24  C25  C26   180.00   0.0  0
 07F  CONST_56  H11  C22  C21  C26   180.00   0.0  0
 07F  CONST_57  H1   C5   C4   C3      0.00   0.0  0
 07F  CONST_58  H1   C5   C4   C9    180.00   0.0  0
 07F  CONST_59  H3   C7   C8   C9    180.00   0.0  0
 07F  CONST_60  H21  C16  C17  C12   180.00   0.0  0
 07F  CONST_61  H20  C14  C13  C12   180.00   0.0  0
 07F  CONST_62  H21  C16  C15  C14   180.00   0.0  0
 07F  CONST_63  H20  C14  C15  C16   180.00   0.0  0
 07F  CONST_64  H23  C25  C24  C23   180.00   0.0  0
 07F  CONST_65  H22  C23  C24  C25   180.00   0.0  0
 07F  CONST_66  O2   C18  N2   C10     0.00   0.0  0
 07F  Var_01    C5   C4   C3   N1     64.63  30.0  2
 07F  Var_02    C9   C4   C3   N1   -110.22  30.0  2
 07F  Var_03    N2   C3   C4   C5   -116.37  30.0  2
 07F  Var_04    N2   C3   C4   C9     68.77  30.0  2
 07F  Var_05    C20  C19  C2   N1   -179.96  30.0  1
 07F  Var_06    N2   C18  C19  C20  -174.81  30.0  1
 07F  Var_07    C2   C19  C20  C21   -79.92  30.0  3
 07F  Var_08    C18  C19  C20  C21    97.32  30.0  3
 07F  Var_09    C19  C20  C21  C22   -59.96  30.0  2
 07F  Var_10    C19  C20  C21  C26   119.74  30.0  2
 07F  Var_11    C18  C19  C2   C1   -177.51  30.0  1
 07F  Var_12    C3   N1   C2   C1    175.90  30.0  1
 07F  Var_13    C17  C12  C11  C10    86.79  30.0  2
 07F  Var_14    C13  C12  C11  C10   -91.61  30.0  2
 07F  Var_15    C1   C2   C19  C20    -0.29  30.0  1
 07F  Var_16    O2   C18  C19  C20     3.20  30.0  1
 07F  Var_17    C11  C10  N2   C3    101.92  30.0  3
 07F  Var_18    C12  C11  C10  N2    -60.51  30.0  1
 07F  Var_19    C18  N2   C10  C11   -72.43  30.0  2
 07F  Var_20    H14  C1   C2   N1      6.39  30.0  3
 07F  Var_21    H15  C1   C2   N1    127.36  30.0  3
 07F  Var_22    H16  C1   C2   N1   -113.65  30.0  3
 07F  Var_23    H18  C11  C12  C13    27.36  30.0  2
 07F  Var_24    H19  C11  C12  C13   144.92  30.0  2
 07F  Var_25    H18  C11  C12  C17  -154.24  30.0  2
 07F  Var_26    H19  C11  C12  C17   -36.68  30.0  2
 07F  Var_27    H9   C20  C21  C22    61.69  30.0  2
 07F  Var_28    H10  C20  C21  C22   177.67  30.0  2
 07F  Var_29    H9   C20  C21  C26  -118.62  30.0  2
 07F  Var_30    H10  C20  C21  C26    -2.63  30.0  2
 07F  Var_31    H9   C20  C19  C2    158.29  30.0  1
 07F  Var_32    H10  C20  C19  C2     42.00  30.0  1
 07F  Var_33    H4   C10  N2   C3    -18.91  30.0  3
 07F  Var_34    H5   C10  N2   C3   -135.91  30.0  3
 07F  Var_35    H9   C20  C19  C18   -24.48  30.0  1
 07F  Var_36    H10  C20  C19  C18  -140.76  30.0  1
 07F  Var_37    H4   C10  N2   C18   166.74  30.0  3
 07F  Var_38    H5   C10  N2   C18    49.73  30.0  3
 07F  Var_39    H14  C1   C2   C19  -173.31  30.0  3
 07F  Var_40    H15  C1   C2   C19   -52.34  30.0  3
 07F  Var_41    H16  C1   C2   C19    66.65  30.0  3
 07F  Var_42    H18  C11  C10  N2    178.48  30.0  1
 07F  Var_43    H19  C11  C10  N2     63.19  30.0  1
 07F  Var_44    H4   C10  C11  C12    60.26  30.0  3
 07F  Var_45    H5   C10  C11  C12   178.29  30.0  3

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
 07F  plan-1  C4   0.020
 07F  plan-1  C5   0.020
 07F  plan-1  C6   0.020
 07F  plan-1  C7   0.020
 07F  plan-1  C8   0.020
 07F  plan-1  C3   0.020
 07F  plan-1  F1   0.020
 07F  plan-1  C9   0.020
 07F  plan-1  O1   0.020
 07F  plan-1  H1   0.020
 07F  plan-1  H2   0.020
 07F  plan-1  H3   0.020
 07F  plan-2  C21  0.020
 07F  plan-2  C22  0.020
 07F  plan-2  C24  0.020
 07F  plan-2  C26  0.020
 07F  plan-2  C23  0.020
 07F  plan-2  C25  0.020
 07F  plan-2  H11  0.020
 07F  plan-2  H12  0.020
 07F  plan-2  H13  0.020
 07F  plan-2  H22  0.020
 07F  plan-2  H23  0.020
 07F  plan-2  C20  0.020
 07F  plan-3  C13  0.020
 07F  plan-3  C15  0.020
 07F  plan-3  C17  0.020
 07F  plan-3  C11  0.020
 07F  plan-3  C12  0.020
 07F  plan-3  C14  0.020
 07F  plan-3  C16  0.020
 07F  plan-3  H7   0.020
 07F  plan-3  H8   0.020
 07F  plan-3  H20  0.020
 07F  plan-3  H21  0.020
 07F  plan-3  H6   0.020
 07F  plan-4  N1   0.020
 07F  plan-4  C4   0.020
 07F  plan-4  C2   0.020
 07F  plan-4  C3   0.020
 07F  plan-4  N2   0.020
 07F  plan-4  C18  0.020
 07F  plan-4  O2   0.020
 07F  plan-4  C19  0.020
 07F  plan-4  C10  0.020

