# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  2 04:33:00 2020
#   Inital geometry file: a 163 line input string
#   Ligand name: 1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc2nccc(Oc3ccc(NC(=O)C4=CC=CN(Cc5ccccc5)C4=O)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
 FPW  FPW  1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide  ligand  62  38  .  2021-08-09  2021-08-09  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_FPW
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
 FPW  C1    C  CR6   0   0.212   -1.6293   0.1561  -0.6158
 FPW  C2    C  CR16  0  -0.104   -0.7176  -0.2928   0.3230
 FPW  N3    N  N     0  -0.444    0.5699   0.0001   0.2546
 FPW  C4    C  CR6   0   0.481    1.0171   0.7517  -0.7470
 FPW  C5    C  CR16  0  -0.366    0.1691   1.2467  -1.7427
 FPW  C6    C  CR16  0  -0.189   -1.1767   0.9403  -1.6624
 FPW  C7    C  CR66  0  -0.006   -5.1352   0.0730   0.2543
 FPW  C8    C  CR66  0   0.203   -6.0443   0.8283   1.0258
 FPW  N9    N  N     0  -0.450   -5.6906   1.9470   1.6985
 FPW  C10   C  CR16  0  -0.091   -4.4431   2.3328   1.6188
 FPW  C11   C  CR16  0  -0.427   -3.4452   1.6685   0.8890
 FPW  C12   C  CR6   0   0.435   -3.7978   0.5305   0.2060
 FPW  C13   C  CR6   0   0.343   -6.8867  -1.4810  -0.3414
 FPW  C14   C  CR6   0   0.330   -7.8139  -0.7218   0.4456
 FPW  C15   C  CR16  0  -0.453   -7.3913   0.3995   1.1050
 FPW  C16   C  CR16  0  -0.458   -5.5806  -1.0861  -0.4270
 FPW  O17   O  O2    0  -0.502   -2.9478  -0.2140  -0.5330
 FPW  O18   O  O2    0  -0.458   -7.4151  -2.5547  -0.9441
 FPW  O19   O  O2    0  -0.454   -9.0604  -1.2052   0.4602
 FPW  C20   C  CH3   0  -0.442   -6.5633  -3.3543  -1.7416
 FPW  C21   C  CH3   0  -0.440  -10.0346  -0.5145   1.2197
 FPW  N22   N  NH1   0  -0.754    2.3838   0.9751  -0.6806
 FPW  N23   N  NR6   0  -0.498    6.5174   1.2420   0.2259
 FPW  C24   C  CR6   0   0.633    5.1527   1.0842   0.0190
 FPW  C25   C  CH2   0  -0.412    7.0971   0.5756   1.3942
 FPW  C26   C  CR16  0   0.071    7.3131   1.9493  -0.6012
 FPW  C27   C  CR6   0  -0.319    4.6215   1.7307  -1.1579
 FPW  C29   C  CR6   0   0.137    7.1826  -0.9178   1.2191
 FPW  C30   C  CR16  0  -0.391    6.8253   2.5596  -1.7152
 FPW  C31   C  CR16  0  -0.113    5.4578   2.4379  -1.9849
 FPW  C32   C  C     0   0.578    3.1778   1.6733  -1.5298
 FPW  C33   C  CR16  0  -0.291    7.8804  -1.4658   0.1460
 FPW  C34   C  CR16  0  -0.296    6.5917  -1.7681   2.1459
 FPW  O35   O  O     0  -0.468    2.7696   2.2294  -2.5370
 FPW  C36   C  CR16  0  -0.240    7.9808  -2.8422   0.0014
 FPW  C37   C  CR16  0  -0.244    6.6996  -3.1459   2.0096
 FPW  C38   C  CR16  0  -0.266    7.3914  -3.6864   0.9343
 FPW  H2    H  HCR6  0   0.286   -1.0393  -0.9117   1.1544
 FPW  H5    H  HCR6  0   0.297    0.5399   1.8494  -2.5539
 FPW  H6    H  HCR6  0   0.294   -1.8621   1.3047  -2.4170
 FPW  H10   H  HCR6  0   0.263   -4.1746   3.2332   2.1612
 FPW  H11   H  HCR6  0   0.287   -2.4391   2.0630   0.8839
 FPW  H15   H  HCR6  0   0.285   -8.0664   0.9913   1.7078
 FPW  H16   H  HCR6  0   0.290   -4.8758  -1.6530  -1.0182
 FPW  H20   H  HCH3  0   0.232   -6.1436  -2.7884  -2.5774
 FPW  H20A  H  HCH3  0   0.232   -5.7442  -3.7798  -1.1563
 FPW  H20B  H  HCH3  0   0.264   -7.1755  -4.1624  -2.1333
 FPW  H21   H  HCH3  0   0.233  -10.1794   0.5071   0.8591
 FPW  H21A  H  HCH3  0   0.265  -10.9637  -1.0661   1.1031
 FPW  H21B  H  HCH3  0   0.233   -9.7713  -0.4817   2.2797
 FPW  HN22  H  HNH1  0   0.425    2.8564   0.5543   0.1200
 FPW  H25   H  HCH2  0   0.294    8.0901   0.9999   1.5410
 FPW  H25A  H  HCH2  0   0.295    6.5081   0.8288   2.2740
 FPW  H26   H  HCR6  0   0.327    8.3560   2.0045  -0.3243
 FPW  H30   H  HCR6  0   0.287    7.4843   3.1206  -2.3588
 FPW  H31   H  HCR6  0   0.287    5.0476   2.9146  -2.8651
 FPW  H33   H  HCR6  0   0.253    8.3549  -0.8224  -0.5863
 FPW  H34   H  HCR6  0   0.253    6.0445  -1.3509   2.9822
 FPW  H36   H  HCR6  0   0.258    8.5233  -3.2560  -0.8386
 FPW  H37   H  HCR6  0   0.257    6.2360  -3.7962   2.7401
 FPW  H38   H  HCR6  0   0.258    7.4724  -4.7598   0.8222
 FPW  O28   O  O     0  -0.504    4.5049   0.4243   0.8343

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
 FPW  C1   C2    aromatic  1.383  0.020  1.383
 FPW  C1   C6    aromatic  1.384  0.020  1.384
 FPW  C1   O17   single    1.372  0.020  1.372
 FPW  C2   N3    aromatic  1.322  0.020  1.322
 FPW  N3   C4    aromatic  1.330  0.020  1.330
 FPW  C4   C5    aromatic  1.398  0.020  1.398
 FPW  C4   N22   single    1.386  0.020  1.386
 FPW  C5   C6    aromatic  1.383  0.020  1.383
 FPW  C7   C8    aromatic  1.411  0.020  1.411
 FPW  C7   C12   aromatic  1.414  0.020  1.414
 FPW  C7   C16   aromatic  1.416  0.020  1.416
 FPW  C8   N9    aromatic  1.352  0.020  1.352
 FPW  C8   C15   aromatic  1.416  0.020  1.416
 FPW  N9   C10   aromatic  1.308  0.020  1.308
 FPW  C10  C11   aromatic  1.403  0.020  1.403
 FPW  C11  C12   aromatic  1.373  0.020  1.373
 FPW  C12  O17   single    1.350  0.020  1.350
 FPW  C13  C14   aromatic  1.434  0.020  1.434
 FPW  C13  C16   aromatic  1.367  0.020  1.367
 FPW  C13  O18   single    1.340  0.020  1.340
 FPW  C14  C15   aromatic  1.368  0.020  1.368
 FPW  C14  O19   single    1.337  0.020  1.337
 FPW  O18  C20   single    1.415  0.020  1.415
 FPW  O19  C21   single    1.415  0.020  1.415
 FPW  N22  C32   single    1.356  0.020  1.356
 FPW  N23  C24   single    1.389  0.020  1.389
 FPW  N23  C25   single    1.465  0.020  1.465
 FPW  N23  C26   single    1.348  0.020  1.348
 FPW  C24  C27   single    1.444  0.020  1.444
 FPW  C24  O28   double    1.233  0.020  1.233
 FPW  C25  C29   single    1.506  0.020  1.506
 FPW  C26  C30   double    1.361  0.020  1.361
 FPW  C27  C31   double    1.372  0.020  1.372
 FPW  C27  C32   single    1.492  0.020  1.492
 FPW  C29  C33   aromatic  1.392  0.020  1.392
 FPW  C29  C34   aromatic  1.390  0.020  1.390
 FPW  C30  C31   single    1.399  0.020  1.399
 FPW  C32  O35   double    1.221  0.020  1.221
 FPW  C33  C36   aromatic  1.388  0.020  1.388
 FPW  C34  C37   aromatic  1.389  0.020  1.389
 FPW  C36  C38   aromatic  1.389  0.020  1.389
 FPW  C37  C38   aromatic  1.388  0.020  1.388
 FPW  C2   H2    single    0.930  0.020  1.080
 FPW  C5   H5    single    0.930  0.020  1.080
 FPW  C6   H6    single    0.930  0.020  1.080
 FPW  C10  H10   single    0.930  0.020  1.080
 FPW  C11  H11   single    0.930  0.020  1.080
 FPW  C15  H15   single    0.930  0.020  1.080
 FPW  C16  H16   single    0.930  0.020  1.080
 FPW  C20  H20   single    0.970  0.020  1.090
 FPW  C20  H20A  single    0.970  0.020  1.090
 FPW  C20  H20B  single    0.970  0.020  1.090
 FPW  C21  H21   single    0.970  0.020  1.090
 FPW  C21  H21A  single    0.970  0.020  1.090
 FPW  C21  H21B  single    0.970  0.020  1.090
 FPW  N22  HN22  single    0.860  0.020  1.020
 FPW  C25  H25   single    0.970  0.020  1.090
 FPW  C25  H25A  single    0.970  0.020  1.090
 FPW  C26  H26   single    0.930  0.020  1.080
 FPW  C30  H30   single    0.930  0.020  1.080
 FPW  C31  H31   single    0.930  0.020  1.080
 FPW  C33  H33   single    0.930  0.020  1.080
 FPW  C34  H34   single    0.930  0.020  1.080
 FPW  C36  H36   single    0.930  0.020  1.080
 FPW  C37  H37   single    0.930  0.020  1.080
 FPW  C38  H38   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
 FPW  O17   C1   C6    120.85  3.000
 FPW  O17   C1   C2    120.32  3.000
 FPW  C6    C1   C2    118.78  3.000
 FPW  H2    C2   N3    117.04  3.000
 FPW  H2    C2   C1    120.63  3.000
 FPW  N3    C2   C1    122.33  3.000
 FPW  C4    N3   C2    119.45  3.000
 FPW  N22   C4   C5    125.09  3.000
 FPW  N22   C4   N3    112.74  3.000
 FPW  C5    C4   N3    122.17  3.000
 FPW  H5    C5   C6    120.21  3.000
 FPW  H5    C5   C4    121.72  3.000
 FPW  C6    C5   C4    118.06  3.000
 FPW  H6    C6   C5    120.08  3.000
 FPW  H6    C6   C1    120.72  3.000
 FPW  C5    C6   C1    119.20  3.000
 FPW  C16   C7   C12   123.07  3.000
 FPW  C16   C7   C8    119.89  3.000
 FPW  C12   C7   C8    117.04  3.000
 FPW  C15   C8   N9    118.13  3.000
 FPW  C15   C8   C7    118.77  3.000
 FPW  N9    C8   C7    123.10  3.000
 FPW  C10   N9   C8    117.58  3.000
 FPW  H10   C10  C11   118.48  3.000
 FPW  H10   C10  N9    116.76  3.000
 FPW  C11   C10  N9    124.76  3.000
 FPW  H11   C11  C12   122.63  3.000
 FPW  H11   C11  C10   119.44  3.000
 FPW  C12   C11  C10   117.93  3.000
 FPW  O17   C12  C11   124.58  3.000
 FPW  O17   C12  C7    115.82  3.000
 FPW  C11   C12  C7    119.60  3.000
 FPW  O18   C13  C16   125.45  3.000
 FPW  O18   C13  C14   114.60  3.000
 FPW  C16   C13  C14   119.95  3.000
 FPW  O19   C14  C15   125.39  3.000
 FPW  O19   C14  C13   114.67  3.000
 FPW  C15   C14  C13   119.93  3.000
 FPW  H15   C15  C14   121.64  3.000
 FPW  H15   C15  C8    117.34  3.000
 FPW  C14   C15  C8    121.02  3.000
 FPW  H16   C16  C13   120.39  3.000
 FPW  H16   C16  C7    119.17  3.000
 FPW  C13   C16  C7    120.44  3.000
 FPW  C12   O17  C1    119.29  3.000
 FPW  C20   O18  C13   117.97  3.000
 FPW  C21   O19  C14   118.11  3.000
 FPW  H20B  C20  H20A  109.00  3.000
 FPW  H20B  C20  H20   109.00  3.000
 FPW  H20A  C20  H20   108.86  3.000
 FPW  H20B  C20  O18   106.52  3.000
 FPW  H20A  C20  O18   111.68  3.000
 FPW  H20   C20  O18   111.70  3.000
 FPW  H21B  C21  H21A  108.98  3.000
 FPW  H21B  C21  H21   108.90  3.000
 FPW  H21A  C21  H21   109.01  3.000
 FPW  H21B  C21  O19   111.68  3.000
 FPW  H21A  C21  O19   106.45  3.000
 FPW  H21   C21  O19   111.74  3.000
 FPW  HN22  N22  C32   115.62  3.000
 FPW  HN22  N22  C4    115.32  3.000
 FPW  C32   N22  C4    129.06  3.000
 FPW  C26   N23  C25   119.64  3.000
 FPW  C26   N23  C24   123.23  3.000
 FPW  C25   N23  C24   117.12  3.000
 FPW  O28   C24  C27   125.83  3.000
 FPW  O28   C24  N23   118.59  3.000
 FPW  C27   C24  N23   115.59  3.000
 FPW  H25A  C25  H25   107.07  3.000
 FPW  H25A  C25  C29   110.81  3.000
 FPW  H25   C25  C29   110.48  3.000
 FPW  H25A  C25  N23   108.95  3.000
 FPW  H25   C25  N23   106.91  3.000
 FPW  C29   C25  N23   112.39  3.000
 FPW  H26   C26  C30   122.20  3.000
 FPW  H26   C26  N23   116.05  3.000
 FPW  C30   C26  N23   121.74  3.000
 FPW  C32   C27  C31   117.34  3.000
 FPW  C32   C27  C24   122.81  3.000
 FPW  C31   C27  C24   119.85  3.000
 FPW  C34   C29  C33   119.09  3.000
 FPW  C34   C29  C25   120.34  3.000
 FPW  C33   C29  C25   120.55  3.000
 FPW  H30   C30  C31   121.83  3.000
 FPW  H30   C30  C26   120.19  3.000
 FPW  C31   C30  C26   117.98  3.000
 FPW  H31   C31  C30   119.29  3.000
 FPW  H31   C31  C27   119.10  3.000
 FPW  C30   C31  C27   121.62  3.000
 FPW  O35   C32  C27   120.78  3.000
 FPW  O35   C32  N22   123.74  3.000
 FPW  C27   C32  N22   115.49  3.000
 FPW  H33   C33  C36   119.12  3.000
 FPW  H33   C33  C29   120.42  3.000
 FPW  C36   C33  C29   120.46  3.000
 FPW  H34   C34  C37   119.82  3.000
 FPW  H34   C34  C29   119.61  3.000
 FPW  C37   C34  C29   120.57  3.000
 FPW  H36   C36  C38   120.10  3.000
 FPW  H36   C36  C33   119.77  3.000
 FPW  C38   C36  C33   120.13  3.000
 FPW  H37   C37  C38   120.16  3.000
 FPW  H37   C37  C34   119.78  3.000
 FPW  C38   C37  C34   120.06  3.000
 FPW  H38   C38  C37   120.24  3.000
 FPW  H38   C38  C36   120.09  3.000
 FPW  C37   C38  C36   119.67  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
 FPW  CONST_01  C4    N3   C2   C1      0.00   0.0  0
 FPW  CONST_02  C4    C5   C6   C1      0.00   0.0  0
 FPW  CONST_03  C5    C6   C1   C2      0.00   0.0  0
 FPW  CONST_04  C5    C4   N3   C2      0.00   0.0  0
 FPW  CONST_05  C6    C1   C2   N3      0.00   0.0  0
 FPW  CONST_06  C6    C5   C4   N3      0.00   0.0  0
 FPW  CONST_07  C10   N9   C8   C7      0.00   0.0  0
 FPW  CONST_08  C14   C15  C8   C7      0.00   0.0  0
 FPW  CONST_09  C10   C11  C12  C7      0.00   0.0  0
 FPW  CONST_10  C14   C13  C16  C7      0.00   0.0  0
 FPW  CONST_11  C11   C12  C7   C8      0.00   0.0  0
 FPW  CONST_12  C13   C16  C7   C8      0.00   0.0  0
 FPW  CONST_13  C11   C10  N9   C8      0.00   0.0  0
 FPW  CONST_14  C13   C14  C15  C8      0.00   0.0  0
 FPW  CONST_15  C12   C7   C8   N9      0.00   0.0  0
 FPW  CONST_16  C16   C7   C8   N9    180.00   0.0  0
 FPW  CONST_17  C14   C15  C8   N9    180.00   0.0  0
 FPW  CONST_18  C12   C11  C10  N9      0.00   0.0  0
 FPW  CONST_19  C15   C8   N9   C10   180.00   0.0  0
 FPW  CONST_20  C16   C7   C12  C11   180.00   0.0  0
 FPW  CONST_21  C15   C8   C7   C12   180.00   0.0  0
 FPW  CONST_22  C13   C16  C7   C12   180.00   0.0  0
 FPW  CONST_23  C16   C7   C8   C15     0.00   0.0  0
 FPW  CONST_24  C16   C13  C14  C15     0.00   0.0  0
 FPW  CONST_25  C38   C36  C33  C29     0.00   0.0  0
 FPW  CONST_26  C38   C37  C34  C29     0.00   0.0  0
 FPW  CONST_27  C37   C34  C29  C33     0.00   0.0  0
 FPW  CONST_28  C37   C38  C36  C33     0.00   0.0  0
 FPW  CONST_29  C36   C33  C29  C34     0.00   0.0  0
 FPW  CONST_30  C36   C38  C37  C34     0.00   0.0  0
 FPW  CONST_31  C27   C24  N23  C26     0.00   0.0  0
 FPW  CONST_32  N22   C4   N3   C2    180.00   0.0  0
 FPW  CONST_33  O17   C1   C2   N3    180.00   0.0  0
 FPW  CONST_34  O17   C1   C6   C5    180.00   0.0  0
 FPW  CONST_35  N22   C4   C5   C6    180.00   0.0  0
 FPW  CONST_36  O18   C13  C16  C7    180.00   0.0  0
 FPW  CONST_37  O17   C12  C7   C8    180.00   0.0  0
 FPW  CONST_38  O19   C14  C15  C8    180.00   0.0  0
 FPW  CONST_39  O17   C12  C11  C10   180.00   0.0  0
 FPW  CONST_40  O18   C13  C14  C15   180.00   0.0  0
 FPW  CONST_41  O17   C12  C7   C16     0.00   0.0  0
 FPW  CONST_42  O19   C14  C13  C16   180.00   0.0  0
 FPW  CONST_43  C36   C33  C29  C25   180.00   0.0  0
 FPW  CONST_44  C37   C34  C29  C25   180.00   0.0  0
 FPW  CONST_45  C27   C24  N23  C25   180.00   0.0  0
 FPW  CONST_46  O28   C24  N23  C26   180.00   0.0  0
 FPW  CONST_47  H5    C5   C6   C1    180.00   0.0  0
 FPW  CONST_48  H6    C6   C1   C2    180.00   0.0  0
 FPW  CONST_49  H2    C2   N3   C4    180.00   0.0  0
 FPW  CONST_50  H15   C15  C8   C7    180.00   0.0  0
 FPW  CONST_51  H11   C11  C12  C7    180.00   0.0  0
 FPW  CONST_52  H16   C16  C7   C8    180.00   0.0  0
 FPW  CONST_53  H10   C10  N9   C8    180.00   0.0  0
 FPW  CONST_54  H36   C36  C33  C29   180.00   0.0  0
 FPW  CONST_55  H37   C37  C34  C29   180.00   0.0  0
 FPW  CONST_56  H34   C34  C29  C33   180.00   0.0  0
 FPW  CONST_57  H38   C38  C36  C33   180.00   0.0  0
 FPW  CONST_58  H33   C33  C29  C34   180.00   0.0  0
 FPW  CONST_59  C27   C32  N22  C4    180.00   0.0  0
 FPW  CONST_60  C32   N22  C4   N3    180.00   0.0  0
 FPW  CONST_61  C32   N22  C4   C5      0.00   0.0  0
 FPW  CONST_62  O28   C24  N23  C25     0.00   0.0  0
 FPW  CONST_63  HN22  N22  C4   N3      0.00   0.0  0
 FPW  CONST_64  O35   C32  N22  C4      0.00   0.0  0
 FPW  Var_01    C7    C12  O17  C1   -179.22  30.0  1
 FPW  Var_02    C33   C29  C25  N23    57.23  30.0  2
 FPW  Var_03    C29   C25  N23  C24    72.47  30.0  3
 FPW  Var_04    C24   C27  C32  N22     0.38  30.0  2
 FPW  Var_05    H20   C20  O18  C13   -61.17  30.0  3
 FPW  Var_06    H21   C21  O19  C14    61.38  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
 FPW  plan-1  C1    0.020
 FPW  plan-1  C2    0.020
 FPW  plan-1  N3    0.020
 FPW  plan-1  C4    0.020
 FPW  plan-1  C5    0.020
 FPW  plan-1  C6    0.020
 FPW  plan-1  O17   0.020
 FPW  plan-1  N22   0.020
 FPW  plan-1  H2    0.020
 FPW  plan-1  H5    0.020
 FPW  plan-1  H6    0.020
 FPW  plan-2  N23   0.020
 FPW  plan-2  C24   0.020
 FPW  plan-2  C25   0.020
 FPW  plan-2  C26   0.020
 FPW  plan-2  C27   0.020
 FPW  plan-2  C30   0.020
 FPW  plan-2  C31   0.020
 FPW  plan-2  C32   0.020
 FPW  plan-2  H26   0.020
 FPW  plan-2  H30   0.020
 FPW  plan-2  H31   0.020
 FPW  plan-2  O28   0.020
 FPW  plan-3  C25   0.020
 FPW  plan-3  C29   0.020
 FPW  plan-3  C33   0.020
 FPW  plan-3  C34   0.020
 FPW  plan-3  C36   0.020
 FPW  plan-3  C37   0.020
 FPW  plan-3  C38   0.020
 FPW  plan-3  H33   0.020
 FPW  plan-3  H34   0.020
 FPW  plan-3  H36   0.020
 FPW  plan-3  H37   0.020
 FPW  plan-3  H38   0.020
 FPW  plan-4  C7    0.020
 FPW  plan-4  C8    0.020
 FPW  plan-4  N9    0.020
 FPW  plan-4  C10   0.020
 FPW  plan-4  C11   0.020
 FPW  plan-4  C12   0.020
 FPW  plan-4  C13   0.020
 FPW  plan-4  C14   0.020
 FPW  plan-4  C15   0.020
 FPW  plan-4  C16   0.020
 FPW  plan-4  O17   0.020
 FPW  plan-4  O18   0.020
 FPW  plan-4  O19   0.020
 FPW  plan-4  H10   0.020
 FPW  plan-4  H11   0.020
 FPW  plan-4  H15   0.020
 FPW  plan-4  H16   0.020
 FPW  plan-5  C4    0.020
 FPW  plan-5  N22   0.020
 FPW  plan-5  C27   0.020
 FPW  plan-5  C32   0.020
 FPW  plan-5  O35   0.020
 FPW  plan-5  HN22  0.020

