# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  2 04:09:34 2020
#   Inital geometry file: a 144 line input string
#   Ligand name: 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc2nccc(Oc3ccc(NC(=O)N[C@@H]4C[C@H]4c5ccccc5)nc3)c2cc1OC
#
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
 FPU  FPU  1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea  ligand  58  34  .  2022-07-25  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_FPU
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
 FPU  C1    C  CH3   0  -0.441    6.5050   3.5165  -0.4068
 FPU  N1    N  N     0  -0.450    5.5197  -2.7663   0.1162
 FPU  O1    O  O2    0  -0.458    7.3608   2.3910  -0.3718
 FPU  C2    C  CR6   0   0.344    6.8032   1.1789  -0.2503
 FPU  N2    N  N     0  -0.414   -0.7576  -0.0527  -0.6923
 FPU  C3    C  CR16  0  -0.459    5.4626   0.9284  -0.1549
 FPU  N3    N  NH1   0  -0.770   -2.6266  -0.3474   0.6805
 FPU  C4    C  CR66  0  -0.007    4.9871  -0.3996  -0.0282
 FPU  N4    N  NH1   0  -0.696   -4.8642  -0.2431   0.2593
 FPU  O4    O  O     0  -0.486   -3.4214   0.8179  -1.1330
 FPU  C5    C  CR6   0   0.434    3.6137  -0.7208   0.0755
 FPU  C6    C  CR16  0  -0.427    3.2319  -2.0349   0.1925
 FPU  C7    C  CR16  0  -0.091    4.2379  -3.0133   0.2060
 FPU  C8    C  CR66  0   0.203    5.9017  -1.4744  -0.0013
 FPU  C9    C  CR16  0  -0.453    7.2860  -1.1935  -0.1002
 FPU  C10   C  CR6   0   0.330    7.7379   0.0916  -0.2228
 FPU  C11   C  CH3   0  -0.441   10.0067  -0.5596  -0.3057
 FPU  C12   C  CR6   0   0.205    1.4204   0.1107   0.2482
 FPU  C13   C  CR16  0  -0.181    0.9052  -0.0405   1.5284
 FPU  C14   C  CR16  0  -0.391   -0.4575  -0.1801   1.6723
 FPU  C15   C  CR6   0   0.516   -1.2607  -0.1756   0.5238
 FPU  C16   C  CR16  0  -0.114    0.5542   0.0960  -0.8264
 FPU  C17   C  C     0   0.722   -3.6229   0.1268  -0.1552
 FPU  C18   C  CH1   0  -0.039   -6.0269   0.1271  -0.4687
 FPU  C19   C  CH2   0  -0.465   -6.4341   1.5570  -0.5128
 FPU  C20   C  CH1   0  -0.411   -7.2197   0.5886   0.3276
 FPU  C21   C  CR6   0   0.233   -8.5951   0.1654  -0.0280
 FPU  C22   C  CR16  0  -0.325   -9.5167  -0.0780   0.9899
 FPU  C23   C  CR16  0  -0.239  -10.8147  -0.4775   0.7015
 FPU  C24   C  CR16  0  -0.276  -11.2164  -0.6437  -0.6167
 FPU  C25   C  CR16  0  -0.236  -10.3073  -0.4048  -1.6398
 FPU  C26   C  CR16  0  -0.355   -9.0116  -0.0027  -1.3495
 FPU  H18   H  HCH1  0   0.268   -6.2460  -0.4708  -1.3507
 FPU  H20   H  HCH1  0   0.271   -7.0456   0.6686   1.3956
 FPU  H1    H  HCH3  0   0.232    5.8258   3.4834  -1.2626
 FPU  H1A   H  HCH3  0   0.232    5.9163   3.6063   0.5095
 FPU  H1B   H  HCH3  0   0.264    7.1463   4.3891  -0.4997
 FPU  H3    H  HCR6  0   0.290    4.7514   1.7414  -0.1735
 FPU  H6    H  HCR6  0   0.287    2.1964  -2.3344   0.2722
 FPU  H7    H  HCR6  0   0.262    3.9464  -4.0542   0.2969
 FPU  H9    H  HCR6  0   0.285    7.9647  -2.0350  -0.0763
 FPU  H11   H  HCH3  0   0.234    9.8775  -1.2630  -1.1318
 FPU  H11A  H  HCH3  0   0.265   10.9655  -0.0595  -0.4124
 FPU  H11B  H  HCH3  0   0.233    9.9994  -1.1141   0.6358
 FPU  H13   H  HCR6  0   0.297    1.5543  -0.0317   2.3947
 FPU  H14   H  HCR6  0   0.288   -0.8975  -0.2797   2.6559
 FPU  H16   H  HCR6  0   0.280    0.9345   0.2062  -1.8368
 FPU  HN3   H  HNH1  0   0.414   -2.9147  -0.6843   1.5866
 FPU  HN4   H  HNH1  0   0.401   -4.9591  -0.9842   0.9360
 FPU  H19   H  HCH2  0   0.270   -5.8203   2.2796   0.0084
 FPU  H19A  H  HCH2  0   0.260   -6.8821   1.9210  -1.4286
 FPU  H22   H  HCR6  0   0.251   -9.2133   0.0474   2.0226
 FPU  H23   H  HCR6  0   0.254  -11.5117  -0.6584   1.5099
 FPU  H24   H  HCR6  0   0.254  -12.2269  -0.9553  -0.8467
 FPU  H25   H  HCR6  0   0.255  -10.6084  -0.5310  -2.6719
 FPU  H26   H  HCR6  0   0.248   -8.3253   0.1776  -2.1689
 FPU  O2    O  O2    0  -0.454    9.0206   0.4557  -0.3228
 FPU  O3    O  O2    0  -0.502    2.7605   0.3245   0.0428

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
 FPU  C1   O1    single    1.414  0.020  1.414
 FPU  C1   H1    single    0.970  0.020  1.090
 FPU  C1   H1A   single    0.970  0.020  1.090
 FPU  C1   H1B   single    0.970  0.020  1.090
 FPU  N1   C7    aromatic  1.308  0.020  1.308
 FPU  N1   C8    aromatic  1.352  0.020  1.352
 FPU  O1   C2    single    1.340  0.020  1.340
 FPU  C2   C3    aromatic  1.367  0.020  1.367
 FPU  C2   C10   aromatic  1.434  0.020  1.434
 FPU  N2   C15   aromatic  1.322  0.020  1.322
 FPU  N2   C16   aromatic  1.327  0.020  1.327
 FPU  O2   C10   single    1.337  0.020  1.337
 FPU  O2   C11   single    1.415  0.020  1.415
 FPU  C3   C4    aromatic  1.416  0.020  1.416
 FPU  C3   H3    single    0.930  0.020  1.080
 FPU  N3   C15   single    1.386  0.020  1.386
 FPU  N3   C17   single    1.384  0.020  1.384
 FPU  N3   HN3   single    0.860  0.020  1.020
 FPU  O3   C5    single    1.350  0.020  1.350
 FPU  O3   C12   single    1.373  0.020  1.373
 FPU  C4   C5    aromatic  1.414  0.020  1.414
 FPU  C4   C8    aromatic  1.411  0.020  1.411
 FPU  N4   C17   single    1.360  0.020  1.360
 FPU  N4   C18   single    1.421  0.020  1.421
 FPU  N4   HN4   single    0.860  0.020  1.020
 FPU  O4   C17   double    1.214  0.020  1.214
 FPU  C5   C6    aromatic  1.373  0.020  1.373
 FPU  C6   C7    aromatic  1.403  0.020  1.403
 FPU  C6   H6    single    0.930  0.020  1.080
 FPU  C7   H7    single    0.930  0.020  1.080
 FPU  C8   C9    aromatic  1.416  0.020  1.416
 FPU  C9   C10   aromatic  1.368  0.020  1.368
 FPU  C9   H9    single    0.930  0.020  1.080
 FPU  C11  H11   single    0.970  0.020  1.090
 FPU  C11  H11A  single    0.970  0.020  1.090
 FPU  C11  H11B  single    0.970  0.020  1.090
 FPU  C12  C13   aromatic  1.388  0.020  1.388
 FPU  C12  C16   aromatic  1.380  0.020  1.380
 FPU  C13  C14   aromatic  1.377  0.020  1.377
 FPU  C13  H13   single    0.930  0.020  1.080
 FPU  C14  C15   aromatic  1.402  0.020  1.402
 FPU  C14  H14   single    0.930  0.020  1.080
 FPU  C16  H16   single    0.930  0.020  1.080
 FPU  C18  C19   single    1.487  0.020  1.487
 FPU  C18  C20   single    1.507  0.020  1.507
 FPU  C18  H18   single    0.970  0.020  1.090
 FPU  C19  C20   single    1.504  0.020  1.504
 FPU  C19  H19   single    0.970  0.020  1.090
 FPU  C19  H19A  single    0.970  0.020  1.090
 FPU  C20  C21   single    1.482  0.020  1.482
 FPU  C20  H20   single    0.970  0.020  1.090
 FPU  C21  C22   aromatic  1.394  0.020  1.394
 FPU  C21  C26   aromatic  1.396  0.020  1.396
 FPU  C22  C23   aromatic  1.388  0.020  1.388
 FPU  C22  H22   single    0.930  0.020  1.080
 FPU  C23  C24   aromatic  1.388  0.020  1.388
 FPU  C23  H23   single    0.930  0.020  1.080
 FPU  C24  C25   aromatic  1.389  0.020  1.389
 FPU  C24  H24   single    0.930  0.020  1.080
 FPU  C25  C26   aromatic  1.387  0.020  1.387
 FPU  C25  H25   single    0.930  0.020  1.080
 FPU  C26  H26   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
 FPU  H1B   C1   H1A   108.88  3.000
 FPU  H1B   C1   H1    108.90  3.000
 FPU  H1A   C1   H1    108.92  3.000
 FPU  H1B   C1   O1    106.50  3.000
 FPU  H1A   C1   O1    111.75  3.000
 FPU  H1    C1   O1    111.79  3.000
 FPU  C8    N1   C7    117.58  3.000
 FPU  C2    O1   C1    118.06  3.000
 FPU  C10   C2   C3    119.93  3.000
 FPU  C10   C2   O1    114.61  3.000
 FPU  C3    C2   O1    125.46  3.000
 FPU  C16   N2   C15   118.66  3.000
 FPU  H3    C3   C4    119.09  3.000
 FPU  H3    C3   C2    120.43  3.000
 FPU  C4    C3   C2    120.48  3.000
 FPU  HN3   N3   C17   116.82  3.000
 FPU  HN3   N3   C15   115.12  3.000
 FPU  C17   N3   C15   126.79  3.000
 FPU  C8    C4   C5    117.06  3.000
 FPU  C8    C4   C3    119.88  3.000
 FPU  C5    C4   C3    123.06  3.000
 FPU  HN4   N4   C18   117.29  3.000
 FPU  HN4   N4   C17   119.37  3.000
 FPU  C18   N4   C17   121.32  3.000
 FPU  C6    C5   C4    119.57  3.000
 FPU  C6    C5   O3    124.57  3.000
 FPU  C4    C5   O3    115.86  3.000
 FPU  H6    C6   C7    119.52  3.000
 FPU  H6    C6   C5    122.53  3.000
 FPU  C7    C6   C5    117.94  3.000
 FPU  H7    C7   C6    118.50  3.000
 FPU  H7    C7   N1    116.75  3.000
 FPU  C6    C7   N1    124.75  3.000
 FPU  C9    C8   C4    118.76  3.000
 FPU  C9    C8   N1    118.14  3.000
 FPU  C4    C8   N1    123.10  3.000
 FPU  H9    C9   C10   121.72  3.000
 FPU  H9    C9   C8    117.24  3.000
 FPU  C10   C9   C8    121.04  3.000
 FPU  C9    C10  O2    125.42  3.000
 FPU  C9    C10  C2    119.91  3.000
 FPU  O2    C10  C2    114.67  3.000
 FPU  H11B  C11  H11A  108.91  3.000
 FPU  H11B  C11  H11   108.90  3.000
 FPU  H11A  C11  H11   109.05  3.000
 FPU  H11B  C11  O2    111.70  3.000
 FPU  H11A  C11  O2    106.46  3.000
 FPU  H11   C11  O2    111.74  3.000
 FPU  C16   C12  C13   118.94  3.000
 FPU  C16   C12  O3    119.86  3.000
 FPU  C13   C12  O3    121.16  3.000
 FPU  H13   C13  C14   120.69  3.000
 FPU  H13   C13  C12   120.96  3.000
 FPU  C14   C13  C12   118.33  3.000
 FPU  H14   C14  C15   120.80  3.000
 FPU  H14   C14  C13   120.44  3.000
 FPU  C15   C14  C13   118.75  3.000
 FPU  C14   C15  N3    118.16  3.000
 FPU  C14   C15  N2    122.42  3.000
 FPU  N3    C15  N2    119.39  3.000
 FPU  H16   C16  C12   120.26  3.000
 FPU  H16   C16  N2    116.86  3.000
 FPU  C12   C16  N2    122.88  3.000
 FPU  O4    C17  N4    123.49  3.000
 FPU  O4    C17  N3    124.17  3.000
 FPU  N4    C17  N3    112.32  3.000
 FPU  H18   C18  C20   115.94  3.000
 FPU  H18   C18  C19   116.70  3.000
 FPU  C20   C18  C19    60.29  3.000
 FPU  H18   C18  N4    115.91  3.000
 FPU  C20   C18  N4    117.18  3.000
 FPU  C19   C18  N4    119.32  3.000
 FPU  H19A  C19  H19   114.69  3.000
 FPU  H19A  C19  C20   118.24  3.000
 FPU  H19   C19  C20   117.21  3.000
 FPU  H19A  C19  C18   117.49  3.000
 FPU  H19   C19  C18   118.20  3.000
 FPU  C20   C19  C18    60.49  3.000
 FPU  H20   C20  C21   113.95  3.000
 FPU  H20   C20  C19   114.76  3.000
 FPU  C21   C20  C19   122.31  3.000
 FPU  H20   C20  C18   114.57  3.000
 FPU  C21   C20  C18   121.36  3.000
 FPU  C19   C20  C18    59.22  3.000
 FPU  C26   C21  C22   118.22  3.000
 FPU  C26   C21  C20   122.57  3.000
 FPU  C22   C21  C20   119.21  3.000
 FPU  H22   C22  C23   119.54  3.000
 FPU  H22   C22  C21   119.36  3.000
 FPU  C23   C22  C21   121.10  3.000
 FPU  H23   C23  C24   120.19  3.000
 FPU  H23   C23  C22   119.66  3.000
 FPU  C24   C23  C22   120.15  3.000
 FPU  H24   C24  C25   120.26  3.000
 FPU  H24   C24  C23   120.44  3.000
 FPU  C25   C24  C23   119.30  3.000
 FPU  H25   C25  C26   119.54  3.000
 FPU  H25   C25  C24   120.01  3.000
 FPU  C26   C25  C24   120.45  3.000
 FPU  H26   C26  C25   118.77  3.000
 FPU  H26   C26  C21   120.45  3.000
 FPU  C25   C26  C21   120.78  3.000
 FPU  C11   O2   C10   118.17  3.000
 FPU  C12   O3   C5    119.53  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
 FPU  CONST_01  C5   C6   C7   N1      0.00   0.0  0
 FPU  CONST_02  C3   C4   C8   N1    180.00   0.0  0
 FPU  CONST_03  C5   C4   C8   N1      0.00   0.0  0
 FPU  CONST_04  C10  C9   C8   N1    180.00   0.0  0
 FPU  CONST_05  C5   C4   C3   C2    180.00   0.0  0
 FPU  CONST_06  C8   C4   C3   C2      0.00   0.0  0
 FPU  CONST_07  C8   C9   C10  C2      0.00   0.0  0
 FPU  CONST_08  C13  C14  C15  N2      0.00   0.0  0
 FPU  CONST_09  C13  C12  C16  N2      0.00   0.0  0
 FPU  CONST_10  C9   C10  C2   C3      0.00   0.0  0
 FPU  CONST_11  C6   C5   C4   C3    180.00   0.0  0
 FPU  CONST_12  C9   C8   C4   C3      0.00   0.0  0
 FPU  CONST_13  C10  C2   C3   C4      0.00   0.0  0
 FPU  CONST_14  C7   C6   C5   C4      0.00   0.0  0
 FPU  CONST_15  C7   N1   C8   C4      0.00   0.0  0
 FPU  CONST_16  C10  C9   C8   C4      0.00   0.0  0
 FPU  CONST_17  C9   C8   C4   C5    180.00   0.0  0
 FPU  CONST_18  C8   C4   C5   C6      0.00   0.0  0
 FPU  CONST_19  C8   N1   C7   C6      0.00   0.0  0
 FPU  CONST_20  C9   C8   N1   C7    180.00   0.0  0
 FPU  CONST_21  C15  C14  C13  C12     0.00   0.0  0
 FPU  CONST_22  C15  N2   C16  C12     0.00   0.0  0
 FPU  CONST_23  C16  C12  C13  C14     0.00   0.0  0
 FPU  CONST_24  C16  N2   C15  C14     0.00   0.0  0
 FPU  CONST_25  C24  C23  C22  C21     0.00   0.0  0
 FPU  CONST_26  C24  C25  C26  C21     0.00   0.0  0
 FPU  CONST_27  C25  C26  C21  C22     0.00   0.0  0
 FPU  CONST_28  C25  C24  C23  C22     0.00   0.0  0
 FPU  CONST_29  C26  C21  C22  C23     0.00   0.0  0
 FPU  CONST_30  C26  C25  C24  C23     0.00   0.0  0
 FPU  CONST_31  C23  C22  C21  C20   180.00   0.0  0
 FPU  CONST_32  C25  C26  C21  C20   180.00   0.0  0
 FPU  CONST_33  C4   C3   C2   O1    180.00   0.0  0
 FPU  CONST_34  C9   C10  C2   O1    180.00   0.0  0
 FPU  CONST_35  O3   C12  C16  N2    180.00   0.0  0
 FPU  CONST_36  C3   C2   C10  O2    180.00   0.0  0
 FPU  CONST_37  C8   C9   C10  O2    180.00   0.0  0
 FPU  CONST_38  O3   C5   C4   C3      0.00   0.0  0
 FPU  CONST_39  C16  N2   C15  N3    180.00   0.0  0
 FPU  CONST_40  C13  C14  C15  N3    180.00   0.0  0
 FPU  CONST_41  C8   C4   C5   O3    180.00   0.0  0
 FPU  CONST_42  C7   C6   C5   O3    180.00   0.0  0
 FPU  CONST_43  C14  C13  C12  O3    180.00   0.0  0
 FPU  CONST_44  H6   C6   C7   N1    180.00   0.0  0
 FPU  CONST_45  H9   C9   C8   N1      0.00   0.0  0
 FPU  CONST_46  H14  C14  C15  N2    180.00   0.0  0
 FPU  CONST_47  H3   C3   C4   C5      0.00   0.0  0
 FPU  CONST_48  H7   C7   C6   C5    180.00   0.0  0
 FPU  CONST_49  H16  C16  C12  C13   180.00   0.0  0
 FPU  CONST_50  H13  C13  C14  C15   180.00   0.0  0
 FPU  CONST_51  H22  C22  C21  C20     0.00   0.0  0
 FPU  CONST_52  H26  C26  C21  C20     0.00   0.0  0
 FPU  CONST_53  H23  C23  C22  C21   180.00   0.0  0
 FPU  CONST_54  H25  C25  C26  C21   180.00   0.0  0
 FPU  CONST_55  H24  C24  C23  C22   180.00   0.0  0
 FPU  CONST_59  C15  N3   C17  O4      0.00   0.0  0
 FPU  CONST_60  C18  N4   C17  O4      0.00   0.0  0
 FPU  CONST_61  C15  N3   C17  N4    180.00   0.0  0
 FPU  CONST_62  C18  N4   C17  N3    180.00   0.0  0
 FPU  CONST_63  HN4  N4   C17  O4    180.00   0.0  0
 FPU  Var_01    C21  C20  C19  C18  -109.87  30.0  1
 FPU  Var_02    C22  C21  C20  C18   143.82  30.0  2
 FPU  Var_03    C20  C19  C18  N4   -106.43  30.0  1
 FPU  Var_04    C13  C12  O3   C5     80.17  30.0  2
 FPU  Var_05    C3   C2   O1   C1     -0.04  30.0  2
 FPU  Var_06    C19  C18  N4   C17   -68.31  30.0  3
 FPU  Var_07    H1   C1   O1   C2    -61.61  30.0  3
 FPU  Var_08    H11  C11  O2   C10    60.19  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
 FPU  chir_01  C18  N4   C19  C20  both
 FPU  chir_02  C20  C18  C19  C21  both

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
 FPU  plan-1  N2   0.020
 FPU  plan-1  N3   0.020
 FPU  plan-1  C12  0.020
 FPU  plan-1  C13  0.020
 FPU  plan-1  C14  0.020
 FPU  plan-1  C15  0.020
 FPU  plan-1  C16  0.020
 FPU  plan-1  H13  0.020
 FPU  plan-1  H14  0.020
 FPU  plan-1  H16  0.020
 FPU  plan-1  O3   0.020
 FPU  plan-2  C20  0.020
 FPU  plan-2  C21  0.020
 FPU  plan-2  C22  0.020
 FPU  plan-2  C23  0.020
 FPU  plan-2  C24  0.020
 FPU  plan-2  C25  0.020
 FPU  plan-2  C26  0.020
 FPU  plan-2  H22  0.020
 FPU  plan-2  H23  0.020
 FPU  plan-2  H24  0.020
 FPU  plan-2  H25  0.020
 FPU  plan-2  H26  0.020
 FPU  plan-3  N1   0.020
 FPU  plan-3  O1   0.020
 FPU  plan-3  C2   0.020
 FPU  plan-3  C3   0.020
 FPU  plan-3  C4   0.020
 FPU  plan-3  C5   0.020
 FPU  plan-3  C6   0.020
 FPU  plan-3  C7   0.020
 FPU  plan-3  C8   0.020
 FPU  plan-3  C9   0.020
 FPU  plan-3  C10  0.020
 FPU  plan-3  H3   0.020
 FPU  plan-3  H6   0.020
 FPU  plan-3  H7   0.020
 FPU  plan-3  H9   0.020
 FPU  plan-3  O2   0.020
 FPU  plan-3  O3   0.020
 FPU  plan-4  N3   0.020
 FPU  plan-4  N4   0.020
 FPU  plan-4  O4   0.020
 FPU  plan-4  C15  0.020
 FPU  plan-4  C17  0.020
 FPU  plan-4  C18  0.020
 FPU  plan-4  HN3  0.020
 FPU  plan-4  HN4  0.020

