# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Mar 10 21:39:30 2022
#   Inital geometry file: a 162 line input string
#   Ligand name: 1-[(1R)-1-(hydroxymethyl)-3-{6-[(5-phenylpentanoyl)amino]-1H-indol-1-yl}propyl]-1H-imidazole-4-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: NC(=O)c1cn(cn1)[C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCc4ccccc4)cc23
#
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
 FR8  FR8  1-[(1R)-1-(hydroxymethyl)-3-{6-[(5-phenylpentanoyl)amino]-1H-indol-1-yl}propyl]-1H-imidazole-4-carboxamide  ligand  66  35  .  2022-03-18  2022-03-18
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_FR8
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
 FR8  C1    C  CR15  0  -0.051   2.0263   0.4916    5.8014
 FR8  N2    N  NR5   0  -0.415   1.3102   0.5263    4.6474
 FR8  C3    C  CR15  0   0.107   1.9131  -0.3242    3.7783
 FR8  N4    N  N     0  -0.461   2.9576  -0.8972    4.3092
 FR8  C5    C  CR5   0  -0.020   3.0441  -0.3959    5.5774
 FR8  C8    C  C     0   0.442   4.0938  -0.7844    6.5336
 FR8  O9    O  O     0  -0.494   4.1254  -0.3232    7.6698
 FR8  N10   N  NH2   0  -0.810   4.9854  -1.6658    6.0600
 FR8  C13   C  CH1   0  -0.131   0.1360   1.3561    4.3965
 FR8  C14   C  CH2   0  -0.163   0.4813   2.5203    3.4798
 FR8  O15   O  OH1   0  -0.657   0.6707   2.0376    2.1734
 FR8  C18   C  CH2   0  -0.453  -1.0134   0.4848    3.8908
 FR8  C19   C  CH2   0  -0.324  -2.2991   1.2759    3.6714
 FR8  N22   N  NR5   0  -0.528  -3.3428   0.4488    3.1141
 FR8  C27   C  CR15  0  -0.028  -4.3753  -0.1322    3.8019
 FR8  C28   C  CR15  0  -0.425  -5.1439  -0.8780    2.9571
 FR8  C29   C  CR56  0   0.054  -4.5530  -0.7632    1.6611
 FR8  C30   C  CR56  0   0.379  -3.4257   0.0738    1.8026
 FR8  C31   C  CR16  0  -0.351  -4.8542  -1.2716    0.3930
 FR8  C32   C  CR16  0  -0.297  -4.0509  -0.9432   -0.6789
 FR8  C33   C  CR6   0   0.320  -2.9246  -0.1147   -0.5121
 FR8  C34   C  CR16  0  -0.377  -2.5955   0.3975    0.7307
 FR8  N1    N  NH1   0  -0.744  -2.1319   0.2436   -1.6229
 FR8  C2    C  C     0   0.545  -1.5549  -0.6322   -2.4845
 FR8  O1    O  O     0  -0.477  -1.7478  -1.8342   -2.4364
 FR8  C4    C  CH2   0  -0.594  -0.6384   0.0187   -3.4982
 FR8  C6    C  CH2   0  -0.418  -0.3734  -0.8377   -4.7265
 FR8  C7    C  CR16  0  -0.311   3.1624  -0.3397   -7.7324
 FR8  C11   C  CR6   0   0.138   1.7801  -0.3041   -7.9018
 FR8  C9    C  CR16  0  -0.316   1.2628   0.4320   -8.9656
 FR8  C12   C  CR16  0  -0.240   2.1025   1.1123   -9.8384
 FR8  C10   C  CR16  0  -0.275   3.4789   1.0709   -9.6567
 FR8  C15   C  CR16  0  -0.240   4.0069   0.3404   -8.5996
 FR8  C16   C  CH2   0  -0.413   0.5620  -0.1409   -5.7067
 FR8  C17   C  CH2   0  -0.507   0.8738  -1.0053   -6.9292
 FR8  H1    H  HCR5  0   0.306   1.7596   1.0817    6.6624
 FR8  H3    H  HCR5  0   0.289   1.5530  -0.4880    2.7757
 FR8  H101  H  HNH2  0   0.402   5.7393  -1.9945    6.6394
 FR8  H102  H  HNH2  0   0.406   4.9198  -2.0123    5.1179
 FR8  H13   H  HCH1  0   0.288  -0.1420   1.7828    5.3626
 FR8  H141  H  HCH2  0   0.220  -0.3324   3.2534    3.5329
 FR8  H142  H  HCH2  0   0.234   1.3768   3.0175    3.8706
 FR8  H15   H  HOH1  0   0.465   1.0136   2.7523    1.6292
 FR8  H181  H  HCH2  0   0.268  -1.1982  -0.3064    4.6206
 FR8  H182  H  HCH2  0   0.255  -0.7295  -0.0036    2.9572
 FR8  H191  H  HCH2  0   0.266  -2.1356   2.1135    2.9914
 FR8  H192  H  HCH2  0   0.278  -2.6590   1.6970    4.6104
 FR8  H27   H  HCR5  0   0.284  -4.4858   0.0422    4.8610
 FR8  H28   H  HCR5  0   0.248  -6.0271  -1.4347    3.2265
 FR8  H31   H  HCR6  0   0.249  -5.7180  -1.9078    0.2455
 FR8  H32   H  HCR6  0   0.255  -4.2981  -1.3110   -1.6647
 FR8  H34   H  HCR6  0   0.263  -1.7144   1.0174    0.8557
 FR8  HN1   H  HNH1  0   0.407  -1.8240   1.2028   -1.6664
 FR8  H41   H  HCH2  0   0.274   0.3079   0.2439   -2.9928
 FR8  H42   H  HCH2  0   0.259  -1.0532   0.9870   -3.7925
 FR8  H61   H  HCH2  0   0.226  -1.3168  -1.0700   -5.2292
 FR8  H62   H  HCH2  0   0.227   0.0620  -1.7937   -4.4268
 FR8  H9    H  HCR6  0   0.244   0.1899   0.4687   -9.1176
 FR8  H12   H  HCR6  0   0.252   1.6804   1.6723  -10.6633
 FR8  H10   H  HCR6  0   0.252   4.1346   1.6004  -10.3358
 FR8  H2    H  HCR6  0   0.252   5.0785   0.2971   -8.4511
 FR8  H161  H  HCH2  0   0.223   1.4978   0.1191   -5.2010
 FR8  H162  H  HCH2  0   0.224   0.1168   0.8042   -6.0327
 FR8  H171  H  HCH2  0   0.238   1.3421  -1.9364   -6.5973
 FR8  H172  H  HCH2  0   0.238  -0.0613  -1.2841   -7.4230
 FR8  H7    H  HCR6  0   0.244   3.5838  -0.9064   -6.9096

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
 FR8  C1   N2    aromatic  1.359  0.020  1.359
 FR8  C1   C5    aromatic  1.369  0.020  1.369
 FR8  C1   H1    single    0.930  0.020  1.080
 FR8  N2   C3    aromatic  1.357  0.020  1.357
 FR8  N2   C13   single    1.459  0.020  1.459
 FR8  C3   N4    aromatic  1.304  0.020  1.304
 FR8  C3   H3    single    0.930  0.020  1.080
 FR8  N4   C5    aromatic  1.366  0.020  1.366
 FR8  C5   C8    single    1.472  0.020  1.472
 FR8  C8   O9    double    1.227  0.020  1.227
 FR8  C8   N10   single    1.340  0.020  1.340
 FR8  N10  H101  single    0.860  0.020  1.020
 FR8  N10  H102  single    0.860  0.020  1.020
 FR8  C13  C14   single    1.522  0.020  1.522
 FR8  C13  C18   single    1.528  0.020  1.528
 FR8  C13  H13   single    0.970  0.020  1.090
 FR8  C14  O15   single    1.406  0.020  1.406
 FR8  C14  H141  single    0.970  0.020  1.090
 FR8  C14  H142  single    0.970  0.020  1.090
 FR8  O15  H15   single    0.850  0.020  0.980
 FR8  C18  C19   single    1.525  0.020  1.525
 FR8  C18  H181  single    0.970  0.020  1.090
 FR8  C18  H182  single    0.970  0.020  1.090
 FR8  C19  N22   single    1.444  0.020  1.444
 FR8  C19  H191  single    0.970  0.020  1.090
 FR8  C19  H192  single    0.970  0.020  1.090
 FR8  N22  C27   aromatic  1.370  0.020  1.370
 FR8  N22  C30   aromatic  1.367  0.020  1.367
 FR8  C27  C28   aromatic  1.364  0.020  1.364
 FR8  C27  H27   single    0.930  0.020  1.080
 FR8  C28  C29   aromatic  1.429  0.020  1.429
 FR8  C28  H28   single    0.930  0.020  1.080
 FR8  C29  C30   aromatic  1.411  0.020  1.411
 FR8  C29  C31   aromatic  1.399  0.020  1.399
 FR8  C30  C34   aromatic  1.394  0.020  1.394
 FR8  C31  C32   aromatic  1.379  0.020  1.379
 FR8  C31  H31   single    0.930  0.020  1.080
 FR8  C32  C33   aromatic  1.408  0.020  1.408
 FR8  C32  H32   single    0.930  0.020  1.080
 FR8  C33  C34   aromatic  1.384  0.020  1.384
 FR8  C33  N1    single    1.411  0.020  1.411
 FR8  C34  H34   single    0.930  0.020  1.080
 FR8  N1   C2    single    1.357  0.020  1.357
 FR8  N1   HN1   single    0.860  0.020  1.020
 FR8  C2   O1    double    1.218  0.020  1.218
 FR8  C2   C4    single    1.514  0.020  1.514
 FR8  C4   C6    single    1.521  0.020  1.521
 FR8  C4   H41   single    0.970  0.020  1.090
 FR8  C4   H42   single    0.970  0.020  1.090
 FR8  C6   C16   single    1.524  0.020  1.524
 FR8  C6   H61   single    0.970  0.020  1.090
 FR8  C6   H62   single    0.970  0.020  1.090
 FR8  C7   C11   aromatic  1.393  0.020  1.393
 FR8  C7   C15   aromatic  1.388  0.020  1.388
 FR8  C7   H7    single    0.930  0.020  1.080
 FR8  C11  C9    aromatic  1.393  0.020  1.393
 FR8  C11  C17   single    1.503  0.020  1.503
 FR8  C9   C12   aromatic  1.389  0.020  1.389
 FR8  C9   H9    single    0.930  0.020  1.080
 FR8  C12  C10   aromatic  1.389  0.020  1.389
 FR8  C12  H12   single    0.930  0.020  1.080
 FR8  C10  C15   aromatic  1.389  0.020  1.389
 FR8  C10  H10   single    0.930  0.020  1.080
 FR8  C15  H2    single    0.930  0.020  1.080
 FR8  C16  C17   single    1.529  0.020  1.529
 FR8  C16  H161  single    0.970  0.020  1.090
 FR8  C16  H162  single    0.970  0.020  1.090
 FR8  C17  H171  single    0.970  0.020  1.090
 FR8  C17  H172  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
 FR8  H1    C1   C5    132.06  3.000
 FR8  H1    C1   N2    122.31  3.000
 FR8  C5    C1   N2    105.63  3.000
 FR8  C13   N2   C3    127.13  3.000
 FR8  C13   N2   C1    125.77  3.000
 FR8  C3    N2   C1    107.08  3.000
 FR8  H3    C3   N4    125.41  3.000
 FR8  H3    C3   N2    122.85  3.000
 FR8  N4    C3   N2    111.74  3.000
 FR8  C5    N4   C3    105.50  3.000
 FR8  C8    C5   N4    123.45  3.000
 FR8  C8    C5   C1    126.51  3.000
 FR8  N4    C5   C1    110.04  3.000
 FR8  N10   C8   O9    123.88  3.000
 FR8  N10   C8   C5    114.73  3.000
 FR8  O9    C8   C5    121.39  3.000
 FR8  H102  N10  H101  118.41  3.000
 FR8  H102  N10  C8    120.93  3.000
 FR8  H101  N10  C8    120.66  3.000
 FR8  H13   C13  C18   108.91  3.000
 FR8  H13   C13  C14   106.96  3.000
 FR8  C18   C13  C14   114.05  3.000
 FR8  H13   C13  N2    105.96  3.000
 FR8  C18   C13  N2    109.74  3.000
 FR8  C14   C13  N2    110.85  3.000
 FR8  H142  C14  H141  106.61  3.000
 FR8  H142  C14  O15   112.15  3.000
 FR8  H141  C14  O15   111.99  3.000
 FR8  H142  C14  C13   108.52  3.000
 FR8  H141  C14  C13   108.30  3.000
 FR8  O15   C14  C13   109.13  3.000
 FR8  H15   O15  C14   108.59  3.000
 FR8  H182  C18  H181  106.95  3.000
 FR8  H182  C18  C19   109.17  3.000
 FR8  H181  C18  C19   109.22  3.000
 FR8  H182  C18  C13   110.03  3.000
 FR8  H181  C18  C13   108.61  3.000
 FR8  C19   C18  C13   112.69  3.000
 FR8  H192  C19  H191  106.84  3.000
 FR8  H192  C19  N22   108.36  3.000
 FR8  H191  C19  N22   107.91  3.000
 FR8  H192  C19  C18   110.77  3.000
 FR8  H191  C19  C18   111.20  3.000
 FR8  N22   C19  C18   111.58  3.000
 FR8  C30   N22  C27   108.65  3.000
 FR8  C30   N22  C19   124.85  3.000
 FR8  C27   N22  C19   126.45  3.000
 FR8  H27   C27  C28   129.68  3.000
 FR8  H27   C27  N22   120.10  3.000
 FR8  C28   C27  N22   110.22  3.000
 FR8  H28   C28  C29   127.36  3.000
 FR8  H28   C28  C27   126.10  3.000
 FR8  C29   C28  C27   106.54  3.000
 FR8  C31   C29  C30   118.58  3.000
 FR8  C31   C29  C28   134.74  3.000
 FR8  C30   C29  C28   106.68  3.000
 FR8  C34   C30  C29   122.44  3.000
 FR8  C34   C30  N22   129.66  3.000
 FR8  C29   C30  N22   107.90  3.000
 FR8  H31   C31  C32   119.91  3.000
 FR8  H31   C31  C29   120.57  3.000
 FR8  C32   C31  C29   119.51  3.000
 FR8  H32   C32  C33   119.42  3.000
 FR8  H32   C32  C31   119.65  3.000
 FR8  C33   C32  C31   120.92  3.000
 FR8  N1    C33  C34   118.65  3.000
 FR8  N1    C33  C32   120.37  3.000
 FR8  C34   C33  C32   120.96  3.000
 FR8  H34   C34  C33   120.55  3.000
 FR8  H34   C34  C30   121.87  3.000
 FR8  C33   C34  C30   117.58  3.000
 FR8  HN1   N1   C2    117.17  3.000
 FR8  HN1   N1   C33   116.56  3.000
 FR8  C2    N1   C33   125.08  3.000
 FR8  C4    C2   O1    123.13  3.000
 FR8  C4    C2   N1    113.89  3.000
 FR8  O1    C2   N1    122.97  3.000
 FR8  H42   C4   H41   105.64  3.000
 FR8  H42   C4   C6    110.33  3.000
 FR8  H41   C4   C6    109.74  3.000
 FR8  H42   C4   C2    109.34  3.000
 FR8  H41   C4   C2    107.59  3.000
 FR8  C6    C4   C2    113.84  3.000
 FR8  H62   C6   H61   106.50  3.000
 FR8  H62   C6   C16   109.39  3.000
 FR8  H61   C6   C16   109.33  3.000
 FR8  H62   C6   C4    109.92  3.000
 FR8  H61   C6   C4    109.91  3.000
 FR8  C16   C6   C4    111.66  3.000
 FR8  H7    C7   C15   119.58  3.000
 FR8  H7    C7   C11   119.43  3.000
 FR8  C15   C7   C11   121.00  3.000
 FR8  C17   C11  C9    121.11  3.000
 FR8  C17   C11  C7    120.51  3.000
 FR8  C9    C11  C7    118.34  3.000
 FR8  H9    C9   C12   119.57  3.000
 FR8  H9    C9   C11   119.49  3.000
 FR8  C12   C9   C11   120.94  3.000
 FR8  H12   C12  C10   120.09  3.000
 FR8  H12   C12  C9    119.76  3.000
 FR8  C10   C12  C9    120.15  3.000
 FR8  H10   C10  C15   120.29  3.000
 FR8  H10   C10  C12   120.25  3.000
 FR8  C15   C10  C12   119.46  3.000
 FR8  H2    C15  C10   120.10  3.000
 FR8  H2    C15  C7    119.78  3.000
 FR8  C10   C15  C7    120.11  3.000
 FR8  H162  C16  H161  106.27  3.000
 FR8  H162  C16  C17   109.44  3.000
 FR8  H161  C16  C17   109.22  3.000
 FR8  H162  C16  C6    109.68  3.000
 FR8  H161  C16  C6    109.65  3.000
 FR8  C17   C16  C6    112.39  3.000
 FR8  H172  C17  H171  106.63  3.000
 FR8  H172  C17  C16   109.31  3.000
 FR8  H171  C17  C16   109.01  3.000
 FR8  H172  C17  C11   110.02  3.000
 FR8  H171  C17  C11   109.59  3.000
 FR8  C16   C17  C11   112.12  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
 FR8  CONST_01  N4    C3   N2   C1      0.00   0.0  0
 FR8  CONST_02  C3    N4   C5   C1      0.00   0.0  0
 FR8  CONST_03  N4    C5   C1   N2      0.00   0.0  0
 FR8  CONST_04  C5    N4   C3   N2      0.00   0.0  0
 FR8  CONST_05  C5    C1   N2   C3      0.00   0.0  0
 FR8  CONST_06  C29   C28  C27  N22     0.00   0.0  0
 FR8  CONST_07  C28   C29  C30  N22     0.00   0.0  0
 FR8  CONST_08  C31   C29  C30  N22   180.00   0.0  0
 FR8  CONST_09  C33   C34  C30  N22   180.00   0.0  0
 FR8  CONST_10  C29   C30  N22  C27     0.00   0.0  0
 FR8  CONST_11  C34   C30  N22  C27   180.00   0.0  0
 FR8  CONST_12  C30   C29  C28  C27     0.00   0.0  0
 FR8  CONST_13  C31   C29  C28  C27   180.00   0.0  0
 FR8  CONST_14  C30   N22  C27  C28     0.00   0.0  0
 FR8  CONST_15  C34   C30  C29  C28   180.00   0.0  0
 FR8  CONST_16  C32   C31  C29  C28   180.00   0.0  0
 FR8  CONST_17  C33   C34  C30  C29     0.00   0.0  0
 FR8  CONST_18  C33   C32  C31  C29     0.00   0.0  0
 FR8  CONST_19  C32   C31  C29  C30     0.00   0.0  0
 FR8  CONST_20  C32   C33  C34  C30     0.00   0.0  0
 FR8  CONST_21  C34   C30  C29  C31     0.00   0.0  0
 FR8  CONST_22  C34   C33  C32  C31     0.00   0.0  0
 FR8  CONST_23  C12   C9   C11  C7      0.00   0.0  0
 FR8  CONST_24  C12   C10  C15  C7      0.00   0.0  0
 FR8  CONST_25  C10   C15  C7   C11     0.00   0.0  0
 FR8  CONST_26  C10   C12  C9   C11     0.00   0.0  0
 FR8  CONST_27  C15   C7   C11  C9      0.00   0.0  0
 FR8  CONST_28  C15   C10  C12  C9      0.00   0.0  0
 FR8  CONST_29  C8    C5   C1   N2    180.00   0.0  0
 FR8  CONST_30  C8    C5   N4   C3    180.00   0.0  0
 FR8  CONST_31  C13   N2   C3   N4    180.00   0.0  0
 FR8  CONST_32  C13   N2   C1   C5    180.00   0.0  0
 FR8  CONST_33  C28   C27  N22  C19   180.00   0.0  0
 FR8  CONST_34  C29   C30  N22  C19   180.00   0.0  0
 FR8  CONST_35  C34   C30  N22  C19     0.00   0.0  0
 FR8  CONST_36  N1    C33  C34  C30   180.00   0.0  0
 FR8  CONST_37  N1    C33  C32  C31   180.00   0.0  0
 FR8  CONST_38  C17   C11  C9   C12   180.00   0.0  0
 FR8  CONST_39  C17   C11  C7   C15   180.00   0.0  0
 FR8  CONST_40  H3    C3   N2   C1    180.00   0.0  0
 FR8  CONST_41  H1    C1   N2   C3    180.00   0.0  0
 FR8  CONST_42  H28   C28  C27  N22   180.00   0.0  0
 FR8  CONST_43  H34   C34  C30  N22     0.00   0.0  0
 FR8  CONST_44  H31   C31  C29  C28     0.00   0.0  0
 FR8  CONST_45  H27   C27  C28  C29   180.00   0.0  0
 FR8  CONST_46  H32   C32  C31  C29   180.00   0.0  0
 FR8  CONST_47  H9    C9   C11  C7    180.00   0.0  0
 FR8  CONST_48  H10   C10  C15  C7    180.00   0.0  0
 FR8  CONST_49  H2    C15  C7   C11   180.00   0.0  0
 FR8  CONST_50  H12   C12  C9   C11   180.00   0.0  0
 FR8  CONST_51  H7    C7   C11  C9    180.00   0.0  0
 FR8  CONST_55  O1    C2   N1   C33     0.00   0.0  0
 FR8  CONST_56  C4    C2   N1   C33   180.00   0.0  0
 FR8  CONST_57  H101  N10  C8   C5    180.00   0.0  0
 FR8  CONST_58  H102  N10  C8   C5      0.00   0.0  0
 FR8  Var_01    O9    C8   C5   C1      0.76  30.0  2
 FR8  Var_02    C27   N22  C19  C18    99.58  30.0  2
 FR8  Var_03    C16   C17  C11  C7     84.85  30.0  2
 FR8  Var_04    N22   C19  C18  C13   176.33  30.0  3
 FR8  Var_05    C11   C17  C16  C6    179.13  30.0  3
 FR8  Var_06    C6    C4   C2   N1   -160.13  30.0  3
 FR8  Var_07    C16   C6   C4   C2   -179.53  30.0  3
 FR8  Var_08    C17   C16  C6   C4    178.27  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
 FR8  chir_01  C13  N2  C14  C18  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
 FR8  plan-1  C1    0.020
 FR8  plan-1  N2    0.020
 FR8  plan-1  C3    0.020
 FR8  plan-1  N4    0.020
 FR8  plan-1  C5    0.020
 FR8  plan-1  C8    0.020
 FR8  plan-1  C13   0.020
 FR8  plan-1  H1    0.020
 FR8  plan-1  H3    0.020
 FR8  plan-2  C7    0.020
 FR8  plan-2  C11   0.020
 FR8  plan-2  C9    0.020
 FR8  plan-2  C12   0.020
 FR8  plan-2  C10   0.020
 FR8  plan-2  C15   0.020
 FR8  plan-2  C17   0.020
 FR8  plan-2  H9    0.020
 FR8  plan-2  H12   0.020
 FR8  plan-2  H10   0.020
 FR8  plan-2  H2    0.020
 FR8  plan-2  H7    0.020
 FR8  plan-3  C19   0.020
 FR8  plan-3  N22   0.020
 FR8  plan-3  C27   0.020
 FR8  plan-3  C28   0.020
 FR8  plan-3  C29   0.020
 FR8  plan-3  C30   0.020
 FR8  plan-3  C31   0.020
 FR8  plan-3  C32   0.020
 FR8  plan-3  C33   0.020
 FR8  plan-3  C34   0.020
 FR8  plan-3  N1    0.020
 FR8  plan-3  H27   0.020
 FR8  plan-3  H28   0.020
 FR8  plan-3  H31   0.020
 FR8  plan-3  H32   0.020
 FR8  plan-3  H34   0.020
 FR8  plan-4  C5    0.020
 FR8  plan-4  C8    0.020
 FR8  plan-4  O9    0.020
 FR8  plan-4  N10   0.020
 FR8  plan-4  H101  0.020
 FR8  plan-4  H102  0.020
 FR8  plan-5  C33   0.020
 FR8  plan-5  N1    0.020
 FR8  plan-5  C2    0.020
 FR8  plan-5  O1    0.020
 FR8  plan-5  C4    0.020
 FR8  plan-5  HN1   0.020

