# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Apr  3 10:36:36 2020
#   Inital geometry file: a 155 line input string
#   Ligand name: (4S)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC1=C([C@@H](NC(=O)N1)c2ccc(F)c(c2)C(=O)NCc3ccccn3)C(=O)Nc4ccc5[nH]ncc5c4
#
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
 453  453  (4S)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide  ligand  59  37  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_453
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
 453  OBC  O  O     0  -0.469  -1.6432   0.2207  -2.8109
 453  CBB  C  C     0   0.532  -1.2640   1.2332  -2.2450
 453  NBD  N  NH1   0  -0.608  -2.0867   2.1195  -1.6617
 453  CBE  C  CH2   0  -0.352  -3.4482   1.7911  -1.3361
 453  CBF  C  CR6   0   0.241  -3.5657   0.9558  -0.0782
 453  CBK  C  CR16  0  -0.329  -4.7243   0.2269   0.1686
 453  CBJ  C  CR16  0  -0.143  -4.8224  -0.4887   1.3492
 453  CBI  C  CR16  0  -0.325  -3.7574  -0.4596   2.2373
 453  CBH  C  CR16  0  -0.064  -2.6384   0.2797   1.8924
 453  NBG  N  N     0  -0.419  -2.5458   0.9804   0.7681
 453  CAY  C  CR6   0  -0.247   0.1900   1.5646  -2.1291
 453  CAZ  C  CR16  0  -0.308   0.7620   1.7537  -0.8755
 453  CAX  C  CR6   0   0.532   1.0191   1.5980  -3.2386
 453  FBA  F  F     0  -0.300   0.4847   1.4407  -4.4564
 453  CAW  C  CR16  0  -0.393   2.3741   1.8270  -3.1269
 453  CAV  C  CR16  0  -0.300   2.9269   1.9886  -1.8640
 453  CAU  C  CR6   0   0.155   2.1323   1.9432  -0.7253
 453  CAN  C  CH1   0  -0.172   2.7216   1.9947   0.6777
 453  NAO  N  NH1   0  -0.655   3.9876   2.6819   0.7503
 453  CAP  C  C     0   0.631   5.2039   2.0972   0.6832
 453  OAT  O  O     0  -0.509   6.2459   2.7197   0.5468
 453  NAQ  N  NH1   0  -0.712   5.1924   0.7293   0.8088
 453  CAR  C  C     0   0.368   4.0800  -0.0020   1.1958
 453  CAS  C  CH3   0  -0.747   4.3915  -1.4002   1.6194
 453  CAM  C  C     0  -0.181   2.8749   0.5799   1.1825
 453  CAK  C  C     0   0.475   1.6125  -0.0723   1.6193
 453  OAL  O  O     0  -0.459   0.9217   0.4076   2.5041
 453  NAJ  N  NH1   0  -0.724   1.2698  -1.1789   0.9219
 453  CAG  C  CR6   0   0.334   0.0339  -1.8516   1.0694
 453  CAF  C  CR16  0  -0.354  -0.8197  -1.9216  -0.0070
 453  CAH  C  CR16  0  -0.286  -0.2963  -2.4534   2.3036
 453  CAI  C  CR16  0  -0.290  -1.4802  -3.1273   2.4824
 453  CAE  C  CR56  0   0.425  -2.3453  -3.1976   1.3845
 453  CAD  C  CR56  0  -0.079  -2.0261  -2.6098   0.1501
 453  NAA  N  NR15  0  -0.548  -3.5666  -3.7553   1.2235
 453  NAB  N  N     0  -0.232  -4.0535  -3.5649  -0.0056
 453  CAC  C  CR15  0  -0.111  -3.1540  -2.8820  -0.6675
 453  H1   H  HNH1  0   0.408  -1.6739   2.8938  -1.1676
 453  H2   H  HCH2  0   0.281  -3.9963   2.7256  -1.2027
 453  H3   H  HCH2  0   0.266  -3.9152   1.2743  -2.1739
 453  H4   H  HCR6  0   0.258  -5.5287   0.2175  -0.5563
 453  H5   H  HCR6  0   0.263  -5.7098  -1.0679   1.5689
 453  H6   H  HCR6  0   0.262  -3.7820  -1.0101   3.1676
 453  H7   H  HCR6  0   0.260  -1.7716   0.3008   2.5416
 453  H8   H  HCR6  0   0.282   0.1155   1.7174  -0.0039
 453  H9   H  HCR6  0   0.286   2.9937   1.8760  -4.0125
 453  H10  H  HCR6  0   0.267   3.9925   2.1582  -1.7883
 453  H11  H  HCH1  0   0.298   2.0195   2.5323   1.3208
 453  H12  H  HNH1  0   0.409   3.9763   3.6836   0.6348
 453  H13  H  HNH1  0   0.415   6.0985   0.2916   0.8754
 453  H14  H  HCH3  0   0.269   4.7851  -1.9719   0.7766
 453  H15  H  HCH3  0   0.267   5.1559  -1.3965   2.3977
 453  H16  H  HCH3  0   0.263   3.5212  -1.9234   2.0028
 453  H17  H  HNH1  0   0.410   1.8140  -1.3910   0.0999
 453  H18  H  HCR6  0   0.252  -0.5676  -1.4478  -0.9466
 453  H19  H  HCR6  0   0.261   0.4084  -2.3940   3.1220
 453  H20  H  HCR6  0   0.269  -1.7252  -3.5837   3.4323
 453  H21  H  HNR5  0   0.412  -4.1133  -4.2562   1.9039
 453  H22  H  HCR5  0   0.261  -3.3250  -2.5906  -1.6924

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
 453  OAT  CAP  double    1.221  0.020  1.221
 453  CAP  NAO  single    1.351  0.020  1.351
 453  CAP  NAQ  single    1.374  0.020  1.374
 453  NAO  CAN  single    1.442  0.020  1.442
 453  NAQ  CAR  single    1.386  0.020  1.386
 453  CAN  CAM  single    1.510  0.020  1.510
 453  CAN  CAU  single    1.523  0.020  1.523
 453  CAR  CAM  double    1.338  0.020  1.338
 453  CAR  CAS  single    1.494  0.020  1.494
 453  OAL  CAK  double    1.221  0.020  1.221
 453  CAM  CAK  single    1.487  0.020  1.487
 453  CAK  NAJ  single    1.352  0.020  1.352
 453  CAU  CAZ  aromatic  1.391  0.020  1.391
 453  CAU  CAV  aromatic  1.389  0.020  1.389
 453  CAZ  CAY  aromatic  1.391  0.020  1.391
 453  CAV  CAW  aromatic  1.388  0.020  1.388
 453  CAF  CAG  aromatic  1.376  0.020  1.376
 453  CAF  CAD  aromatic  1.398  0.020  1.398
 453  NAJ  CAG  single    1.415  0.020  1.415
 453  CAC  CAD  aromatic  1.419  0.020  1.419
 453  CAC  NAB  aromatic  1.309  0.020  1.309
 453  CAY  CBB  single    1.496  0.020  1.496
 453  CAY  CAX  aromatic  1.385  0.020  1.385
 453  CAG  CAH  aromatic  1.412  0.020  1.412
 453  CAD  CAE  aromatic  1.404  0.020  1.404
 453  CAW  CAX  aromatic  1.379  0.020  1.379
 453  CBB  OBC  double    1.220  0.020  1.220
 453  CBB  NBD  single    1.343  0.020  1.343
 453  NBD  CBE  single    1.438  0.020  1.438
 453  CAX  FBA  single    1.339  0.020  1.339
 453  NAB  NAA  aromatic  1.336  0.020  1.336
 453  CBE  CBF  single    1.515  0.020  1.515
 453  CAH  CAI  aromatic  1.374  0.020  1.374
 453  CAE  NAA  aromatic  1.352  0.020  1.352
 453  CAE  CAI  aromatic  1.399  0.020  1.399
 453  CBF  CBK  aromatic  1.391  0.020  1.391
 453  CBF  NBG  aromatic  1.326  0.020  1.326
 453  CBK  CBJ  aromatic  1.384  0.020  1.384
 453  NBG  CBH  aromatic  1.328  0.020  1.328
 453  CBJ  CBI  aromatic  1.387  0.020  1.387
 453  CBH  CBI  aromatic  1.385  0.020  1.385
 453  NBD  H1   single    0.890  0.020  1.040
 453  CBE  H2   single    0.970  0.020  1.090
 453  CBE  H3   single    0.970  0.020  1.090
 453  CBK  H4   single    0.930  0.020  1.080
 453  CBJ  H5   single    0.930  0.020  1.080
 453  CBI  H6   single    0.930  0.020  1.080
 453  CBH  H7   single    0.930  0.020  1.080
 453  CAZ  H8   single    0.930  0.020  1.080
 453  CAW  H9   single    0.930  0.020  1.080
 453  CAV  H10  single    0.930  0.020  1.080
 453  CAN  H11  single    0.970  0.020  1.090
 453  NAO  H12  single    0.860  0.020  1.020
 453  NAQ  H13  single    0.860  0.020  1.020
 453  CAS  H14  single    0.970  0.020  1.090
 453  CAS  H15  single    0.970  0.020  1.090
 453  CAS  H16  single    0.970  0.020  1.090
 453  NAJ  H17  single    0.860  0.020  1.020
 453  CAF  H18  single    0.930  0.020  1.080
 453  CAH  H19  single    0.930  0.020  1.080
 453  CAI  H20  single    0.930  0.020  1.080
 453  NAA  H21  single    0.860  0.020  1.020
 453  CAC  H22  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
 453  CAY  CBB  NBD  114.57  3.000
 453  NBD  CBB  OBC  123.98  3.000
 453  CAY  CBB  OBC  121.45  3.000
 453  H1   NBD  CBE  116.91  3.000
 453  H1   NBD  CBB  118.01  3.000
 453  CBE  NBD  CBB  121.86  3.000
 453  H3   CBE  H2   106.55  3.000
 453  H3   CBE  CBF  110.11  3.000
 453  H2   CBE  CBF  109.37  3.000
 453  H3   CBE  NBD  109.87  3.000
 453  H2   CBE  NBD  107.91  3.000
 453  CBF  CBE  NBD  112.80  3.000
 453  NBG  CBF  CBK  122.51  3.000
 453  NBG  CBF  CBE  117.40  3.000
 453  CBK  CBF  CBE  120.07  3.000
 453  H4   CBK  CBJ  120.92  3.000
 453  H4   CBK  CBF  120.30  3.000
 453  CBJ  CBK  CBF  118.77  3.000
 453  H5   CBJ  CBI  120.72  3.000
 453  H5   CBJ  CBK  120.53  3.000
 453  CBI  CBJ  CBK  118.74  3.000
 453  H6   CBI  CBH  120.30  3.000
 453  H6   CBI  CBJ  121.51  3.000
 453  CBH  CBI  CBJ  118.18  3.000
 453  H7   CBH  NBG  116.19  3.000
 453  H7   CBH  CBI  120.52  3.000
 453  NBG  CBH  CBI  123.29  3.000
 453  CBH  NBG  CBF  118.49  3.000
 453  CAX  CAY  CAZ  118.19  3.000
 453  CAX  CAY  CBB  121.67  3.000
 453  CAZ  CAY  CBB  119.98  3.000
 453  H8   CAZ  CAU  120.28  3.000
 453  H8   CAZ  CAY  118.30  3.000
 453  CAU  CAZ  CAY  121.39  3.000
 453  CAW  CAX  FBA  119.03  3.000
 453  FBA  CAX  CAY  119.11  3.000
 453  CAW  CAX  CAY  121.83  3.000
 453  H9   CAW  CAV  120.75  3.000
 453  H9   CAW  CAX  120.27  3.000
 453  CAV  CAW  CAX  118.97  3.000
 453  H10  CAV  CAU  120.74  3.000
 453  H10  CAV  CAW  118.32  3.000
 453  CAU  CAV  CAW  120.94  3.000
 453  CAN  CAU  CAV  122.19  3.000
 453  CAV  CAU  CAZ  118.64  3.000
 453  CAN  CAU  CAZ  119.03  3.000
 453  H11  CAN  CAM  109.22  3.000
 453  H11  CAN  NAO  107.45  3.000
 453  CAM  CAN  NAO  109.91  3.000
 453  H11  CAN  CAU  108.06  3.000
 453  CAM  CAN  CAU  108.40  3.000
 453  NAO  CAN  CAU  113.72  3.000
 453  H12  NAO  CAP  115.74  3.000
 453  H12  NAO  CAN  117.24  3.000
 453  CAP  NAO  CAN  125.55  3.000
 453  NAQ  CAP  OAT  121.66  3.000
 453  NAQ  CAP  NAO  114.76  3.000
 453  OAT  CAP  NAO  123.57  3.000
 453  H13  NAQ  CAR  118.27  3.000
 453  H13  NAQ  CAP  115.51  3.000
 453  CAR  NAQ  CAP  123.88  3.000
 453  CAM  CAR  CAS  126.69  3.000
 453  CAS  CAR  NAQ  113.93  3.000
 453  CAM  CAR  NAQ  119.37  3.000
 453  H16  CAS  H15  108.14  3.000
 453  H16  CAS  H14  108.02  3.000
 453  H15  CAS  H14  107.45  3.000
 453  H16  CAS  CAR  112.60  3.000
 453  H15  CAS  CAR  110.20  3.000
 453  H14  CAS  CAR  110.27  3.000
 453  CAK  CAM  CAR  124.82  3.000
 453  CAK  CAM  CAN  115.03  3.000
 453  CAR  CAM  CAN  120.14  3.000
 453  NAJ  CAK  OAL  123.51  3.000
 453  NAJ  CAK  CAM  115.01  3.000
 453  OAL  CAK  CAM  121.40  3.000
 453  H17  NAJ  CAG  117.15  3.000
 453  H17  NAJ  CAK  117.12  3.000
 453  CAG  NAJ  CAK  123.84  3.000
 453  CAH  CAG  CAF  121.13  3.000
 453  CAH  CAG  NAJ  119.87  3.000
 453  CAF  CAG  NAJ  118.99  3.000
 453  H18  CAF  CAD  120.95  3.000
 453  H18  CAF  CAG  120.84  3.000
 453  CAD  CAF  CAG  118.21  3.000
 453  H19  CAH  CAI  119.33  3.000
 453  H19  CAH  CAG  119.04  3.000
 453  CAI  CAH  CAG  121.62  3.000
 453  H20  CAI  CAE  121.84  3.000
 453  H20  CAI  CAH  121.08  3.000
 453  CAE  CAI  CAH  117.07  3.000
 453  NAA  CAE  CAD  105.86  3.000
 453  NAA  CAE  CAI  132.25  3.000
 453  CAD  CAE  CAI  121.88  3.000
 453  CAC  CAD  CAE  104.21  3.000
 453  CAE  CAD  CAF  120.08  3.000
 453  CAC  CAD  CAF  135.68  3.000
 453  H21  NAA  NAB  119.68  3.000
 453  H21  NAA  CAE  127.98  3.000
 453  NAB  NAA  CAE  112.33  3.000
 453  CAC  NAB  NAA  106.81  3.000
 453  H22  CAC  NAB  120.81  3.000
 453  H22  CAC  CAD  128.40  3.000
 453  NAB  CAC  CAD  110.78  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
 453  CONST_01  CBI  CBJ  CBK  CBF     0.00   0.0  0
 453  CONST_02  CBI  CBH  NBG  CBF     0.00   0.0  0
 453  CONST_03  CBH  NBG  CBF  CBK     0.00   0.0  0
 453  CONST_04  CBH  CBI  CBJ  CBK     0.00   0.0  0
 453  CONST_05  NBG  CBF  CBK  CBJ     0.00   0.0  0
 453  CONST_06  NBG  CBH  CBI  CBJ     0.00   0.0  0
 453  CONST_07  CAV  CAU  CAZ  CAY     0.00   0.0  0
 453  CONST_08  CAV  CAW  CAX  CAY     0.00   0.0  0
 453  CONST_09  CAW  CAV  CAU  CAZ     0.00   0.0  0
 453  CONST_10  CAW  CAX  CAY  CAZ     0.00   0.0  0
 453  CONST_11  CAU  CAZ  CAY  CAX     0.00   0.0  0
 453  CONST_12  CAU  CAV  CAW  CAX     0.00   0.0  0
 453  CONST_13  CAC  CAD  CAF  CAG   180.00   0.0  0
 453  CONST_14  CAE  CAD  CAF  CAG     0.00   0.0  0
 453  CONST_15  CAE  CAI  CAH  CAG     0.00   0.0  0
 453  CONST_16  CAI  CAH  CAG  CAF     0.00   0.0  0
 453  CONST_17  NAB  CAC  CAD  CAF   180.00   0.0  0
 453  CONST_18  NAA  CAE  CAD  CAF   180.00   0.0  0
 453  CONST_19  CAI  CAE  CAD  CAF     0.00   0.0  0
 453  CONST_20  CAD  CAF  CAG  CAH     0.00   0.0  0
 453  CONST_21  CAD  CAE  CAI  CAH     0.00   0.0  0
 453  CONST_22  NAA  CAE  CAI  CAH   180.00   0.0  0
 453  CONST_23  CAC  CAD  CAE  CAI   180.00   0.0  0
 453  CONST_24  NAB  NAA  CAE  CAI   180.00   0.0  0
 453  CONST_25  NAB  CAC  CAD  CAE     0.00   0.0  0
 453  CONST_26  CAC  NAB  NAA  CAE     0.00   0.0  0
 453  CONST_27  NAA  NAB  CAC  CAD     0.00   0.0  0
 453  CONST_28  NAB  NAA  CAE  CAD     0.00   0.0  0
 453  CONST_29  CAC  CAD  CAE  NAA     0.00   0.0  0
 453  CONST_30  CAN  CAU  CAZ  CAY   180.00   0.0  0
 453  CONST_31  CAN  CAU  CAV  CAW   180.00   0.0  0
 453  CONST_32  NAQ  CAP  NAO  CAN     0.00   0.0  0
 453  CONST_33  CAR  NAQ  CAP  NAO     0.00   0.0  0
 453  CONST_34  CAU  CAZ  CAY  CBB   180.00   0.0  0
 453  CONST_35  CAW  CAX  CAY  CBB   180.00   0.0  0
 453  CONST_36  CBJ  CBK  CBF  CBE   180.00   0.0  0
 453  CONST_37  CBH  NBG  CBF  CBE   180.00   0.0  0
 453  CONST_38  FBA  CAX  CAY  CAZ   180.00   0.0  0
 453  CONST_39  CAV  CAW  CAX  FBA   180.00   0.0  0
 453  CONST_40  CAD  CAF  CAG  NAJ   180.00   0.0  0
 453  CONST_41  CAI  CAH  CAG  NAJ   180.00   0.0  0
 453  CONST_42  OAT  CAP  NAO  CAN   180.00   0.0  0
 453  CONST_43  CAR  NAQ  CAP  OAT   180.00   0.0  0
 453  CONST_44  H5   CBJ  CBK  CBF   180.00   0.0  0
 453  CONST_45  H7   CBH  NBG  CBF   180.00   0.0  0
 453  CONST_46  H6   CBI  CBJ  CBK   180.00   0.0  0
 453  CONST_47  H4   CBK  CBJ  CBI   180.00   0.0  0
 453  CONST_48  H9   CAW  CAX  CAY   180.00   0.0  0
 453  CONST_49  H10  CAV  CAU  CAZ   180.00   0.0  0
 453  CONST_50  H8   CAZ  CAY  CAX   180.00   0.0  0
 453  CONST_51  H20  CAI  CAH  CAG   180.00   0.0  0
 453  CONST_52  H19  CAH  CAG  CAF   180.00   0.0  0
 453  CONST_53  H22  CAC  CAD  CAF     0.00   0.0  0
 453  CONST_54  H18  CAF  CAG  CAH   180.00   0.0  0
 453  CONST_55  H21  NAA  CAE  CAI     0.00   0.0  0
 453  CONST_56  H13  NAQ  CAP  NAO   180.00   0.0  0
 453  CONST_57  H12  NAO  CAP  NAQ   180.00   0.0  0
 453  CONST_58  CAG  NAJ  CAK  CAM   180.00   0.0  0
 453  CONST_63  CAG  NAJ  CAK  OAL     0.00   0.0  0
 453  CONST_64  H1   NBD  CBB  CAY     0.00   0.0  0
 453  Var_01    NAQ  CAR  CAM  CAN     3.36  30.0  1
 453  Var_02    CAM  CAR  NAQ  CAP    14.73  30.0  1
 453  Var_03    CAZ  CAY  CBB  OBC  -122.57  30.0  1
 453  Var_04    CBK  CBF  CBE  NBD  -161.02  30.0  2
 453  Var_05    OAL  CAK  CAM  CAN   -58.51  30.0  2
 453  Var_06    H14  CAS  CAR  NAQ   -64.50  30.0  3
 453  Var_07    CBF  CBE  NBD  CBB    78.19  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
 453  chir_01  CAN  NAO  CAM  CAU  positiv

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
 453  plan-1  CBE  0.020
 453  plan-1  CBF  0.020
 453  plan-1  CBK  0.020
 453  plan-1  CBJ  0.020
 453  plan-1  CBI  0.020
 453  plan-1  CBH  0.020
 453  plan-1  NBG  0.020
 453  plan-1  H4   0.020
 453  plan-1  H5   0.020
 453  plan-1  H6   0.020
 453  plan-1  H7   0.020
 453  plan-2  CBB  0.020
 453  plan-2  CAY  0.020
 453  plan-2  CAZ  0.020
 453  plan-2  CAX  0.020
 453  plan-2  FBA  0.020
 453  plan-2  CAW  0.020
 453  plan-2  CAV  0.020
 453  plan-2  CAU  0.020
 453  plan-2  CAN  0.020
 453  plan-2  H8   0.020
 453  plan-2  H9   0.020
 453  plan-2  H10  0.020
 453  plan-3  NAJ  0.020
 453  plan-3  CAG  0.020
 453  plan-3  CAF  0.020
 453  plan-3  CAH  0.020
 453  plan-3  CAI  0.020
 453  plan-3  CAE  0.020
 453  plan-3  CAD  0.020
 453  plan-3  NAA  0.020
 453  plan-3  NAB  0.020
 453  plan-3  CAC  0.020
 453  plan-3  H18  0.020
 453  plan-3  H19  0.020
 453  plan-3  H20  0.020
 453  plan-3  H21  0.020
 453  plan-3  H22  0.020
 453  plan-4  CAM  0.020
 453  plan-4  CAK  0.020
 453  plan-4  OAL  0.020
 453  plan-4  NAJ  0.020
 453  plan-4  CAG  0.020
 453  plan-4  H17  0.020
 453  plan-5  OBC  0.020
 453  plan-5  CBB  0.020
 453  plan-5  NBD  0.020
 453  plan-5  CBE  0.020
 453  plan-5  CAY  0.020
 453  plan-5  H1   0.020
 453  plan-6  CAN  0.020
 453  plan-6  NAO  0.020
 453  plan-6  CAP  0.020
 453  plan-6  OAT  0.020
 453  plan-6  NAQ  0.020
 453  plan-6  CAR  0.020
 453  plan-6  H12  0.020
 453  plan-6  H13  0.020

