# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri May  1 05:30:23 2020
#   Inital geometry file: a 141 line input string
#   Ligand name: methyl 1-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]piperidine-4-carboxylate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(C)Cc3cnc4nc(N)nc(N)c4n3
#
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
 FE1  FE1  'methyl 1-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]piperidine-4-carboxylate'  ligand  59  33  .  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_FE1
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
 FE1  OAZ   O  O     0  -0.493  -2.0188  -1.9803   0.4590
 FE1  CAU   C  C     0   0.515  -2.2455  -0.9669  -0.1932
 FE1  NAV   N  NT    0  -0.451  -3.3763  -0.8199  -0.9309
 FE1  CAW   C  CH2   0  -0.332  -3.9971   0.4659  -1.2172
 FE1  CAX   C  CH2   0  -0.411  -5.1492   0.7386  -0.2543
 FE1  CBA   C  CH2   0  -0.324  -4.3231  -1.9202  -1.0021
 FE1  CBB   C  CH2   0  -0.430  -5.4706  -1.7397  -0.0175
 FE1  CBC   C  CH1   0  -0.403  -6.1672  -0.3957  -0.2739
 FE1  CBD   C  C     0   0.624  -7.2851  -0.1605   0.7142
 FE1  OBG   O  O     0  -0.447  -7.3472   0.7638   1.4863
 FE1  OBE   O  O2    0  -0.455  -8.2094  -1.1093   0.6422
 FE1  CBF   C  CH3   0  -0.424  -9.3098  -1.0323   1.5479
 FE1  CAT   C  CR6   0  -0.100  -1.2315   0.1197  -0.2405
 FE1  CAS   C  CR16  0  -0.261  -0.5313   0.4493   0.9190
 FE1  CAR   C  CR16  0  -0.328   0.4849   1.3818   0.9098
 FE1  CAJ   C  CR6   0   0.407   0.8790   2.0174  -0.2832
 FE1  CAK   C  CR16  0  -0.354   0.1914   1.6564  -1.4559
 FE1  CAL   C  CR16  0  -0.253  -0.8431   0.7390  -1.4251
 FE1  N10   N  NT    0  -0.487   1.8775   2.9607  -0.3068
 FE1  CAB   C  CH3   0  -0.547   2.3560   3.4408  -1.5851
 FE1  C9    C  CH2   0  -0.419   2.7993   3.0470   0.7938
 FE1  C6    C  CR6   0   0.163   3.7516   1.8769   0.8783
 FE1  N5    N  N     0  -0.375   3.6689   0.9228  -0.0128
 FE1  C4A   C  CR66  0   0.016   4.5097  -0.1031   0.1005
 FE1  C8A   C  CR66  0   0.384   5.4744  -0.1953   1.1145
 FE1  N8    N  N     0  -0.390   5.5605   0.7996   2.0239
 FE1  C7    C  CR16  0  -0.089   4.7202   1.7949   1.9038
 FE1  C4    C  CR6   0   0.483   4.4467  -1.2037  -0.8280
 FE1  N4    N  NH2   0  -0.804   3.5373  -1.1775  -1.7952
 FE1  N3    N  N     0  -0.501   5.2749  -2.2167  -0.7108
 FE1  C2    C  CR6   0   0.544   6.1699  -2.1820   0.3028
 FE1  N1    N  N     0  -0.509   6.3126  -1.2353   1.2186
 FE1  N2    N  NH2   0  -0.814   7.0122  -3.2280   0.3547
 FE1  HAW1  H  HCH2  0   0.245  -4.3612   0.4563  -2.2484
 FE1  HAW2  H  HCH2  0   0.277  -3.2687   1.2669  -1.1411
 FE1  HAX1  H  HCH2  0   0.251  -5.6173   1.6845  -0.5330
 FE1  HAX2  H  HCH2  0   0.234  -4.7457   0.8637   0.7543
 FE1  HBA1  H  HCH2  0   0.247  -4.7210  -1.9494  -2.0214
 FE1  HBA2  H  HCH2  0   0.266  -3.8092  -2.8611  -0.8268
 FE1  HBB1  H  HCH2  0   0.241  -5.0827  -1.7717   1.0049
 FE1  HBB2  H  HCH2  0   0.256  -6.1695  -2.5692  -0.1297
 FE1  HBC   H  HCH1  0   0.276  -6.6241  -0.4431  -1.2713
 FE1  HBF1  H  HCH3  0   0.238  -8.9759  -1.0669   2.5847
 FE1  HBF2  H  HCH3  0   0.238  -9.8953  -0.1269   1.3896
 FE1  HBF3  H  HCH3  0   0.251  -9.9286  -1.9005   1.3406
 FE1  HAS   H  HCR6  0   0.252  -0.7888  -0.0274   1.8566
 FE1  HAR   H  HCR6  0   0.262   0.9768   1.6005   1.8468
 FE1  HAK   H  HCR6  0   0.267   0.4666   2.0793  -2.4113
 FE1  HAL   H  HCR6  0   0.263  -1.3325   0.4861  -2.3582
 FE1  HAB1  H  HCH3  0   0.246   1.5554   3.9176  -2.1512
 FE1  HAB2  H  HCH3  0   0.258   3.1230   4.1928  -1.4174
 FE1  HAB3  H  HCH3  0   0.231   2.7878   2.6465  -2.2021
 FE1  H91   H  HCH2  0   0.293   3.3718   3.9713   0.6936
 FE1  H92   H  HCH2  0   0.282   2.2660   3.1521   1.7423
 FE1  H7    H  HCR6  0   0.277   4.7891   2.5898   2.6404
 FE1  HN41  H  HNH2  0   0.408   3.4419  -1.9476  -2.4347
 FE1  HN42  H  HNH2  0   0.409   2.8926  -0.4072  -1.8576
 FE1  HN21  H  HNH2  0   0.397   7.5895  -3.3520   1.1679
 FE1  HN22  H  HNH2  0   0.397   6.8240  -4.0371  -0.2105

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
 FE1  OAZ  CAU   double    1.226  0.020  1.226
 FE1  CAU  NAV   single    1.358  0.020  1.358
 FE1  CAU  CAT   single    1.487  0.020  1.487
 FE1  NAV  CAW   single    1.456  0.020  1.456
 FE1  NAV  CBA   single    1.453  0.020  1.453
 FE1  CAW  CAX   single    1.526  0.020  1.526
 FE1  CAW  HAW1  single    0.970  0.020  1.090
 FE1  CAW  HAW2  single    0.970  0.020  1.090
 FE1  CAX  CBC   single    1.524  0.020  1.524
 FE1  CAX  HAX1  single    0.970  0.020  1.090
 FE1  CAX  HAX2  single    0.970  0.020  1.090
 FE1  CBA  CBB   single    1.523  0.020  1.523
 FE1  CBA  HBA1  single    0.970  0.020  1.090
 FE1  CBA  HBA2  single    0.970  0.020  1.090
 FE1  CBB  CBC   single    1.535  0.020  1.535
 FE1  CBB  HBB1  single    0.970  0.020  1.090
 FE1  CBB  HBB2  single    0.970  0.020  1.090
 FE1  CBC  CBD   single    1.510  0.020  1.510
 FE1  CBC  HBC   single    0.970  0.020  1.090
 FE1  CBD  OBG   double    1.206  0.020  1.206
 FE1  CBD  OBE   single    1.326  0.020  1.326
 FE1  OBE  CBF   single    1.427  0.020  1.427
 FE1  CBF  HBF1  single    0.970  0.020  1.090
 FE1  CBF  HBF2  single    0.970  0.020  1.090
 FE1  CBF  HBF3  single    0.970  0.020  1.090
 FE1  CAT  CAS   aromatic  1.394  0.020  1.394
 FE1  CAT  CAL   aromatic  1.392  0.020  1.392
 FE1  CAS  CAR   aromatic  1.379  0.020  1.379
 FE1  CAS  HAS   single    0.930  0.020  1.080
 FE1  CAR  CAJ   aromatic  1.408  0.020  1.408
 FE1  CAR  HAR   single    0.930  0.020  1.080
 FE1  CAJ  CAK   aromatic  1.407  0.020  1.407
 FE1  CAJ  N10   single    1.374  0.020  1.374
 FE1  CAK  CAL   aromatic  1.383  0.020  1.383
 FE1  CAK  HAK   single    0.930  0.020  1.080
 FE1  CAL  HAL   single    0.930  0.020  1.080
 FE1  N10  CAB   single    1.447  0.020  1.447
 FE1  N10  C9    single    1.438  0.020  1.438
 FE1  CAB  HAB1  single    0.970  0.020  1.090
 FE1  CAB  HAB2  single    0.970  0.020  1.090
 FE1  CAB  HAB3  single    0.970  0.020  1.090
 FE1  C9   C6    single    1.511  0.020  1.511
 FE1  C9   H91   single    0.970  0.020  1.090
 FE1  C9   H92   single    0.970  0.020  1.090
 FE1  C6   N5    aromatic  1.308  0.020  1.308
 FE1  C6   C7    aromatic  1.413  0.020  1.413
 FE1  N5   C4A   aromatic  1.331  0.020  1.331
 FE1  C4A  C8A   aromatic  1.403  0.020  1.403
 FE1  C4A  C4    aromatic  1.441  0.020  1.441
 FE1  C8A  N8    aromatic  1.351  0.020  1.351
 FE1  C8A  N1    aromatic  1.340  0.020  1.340
 FE1  N8   C7    aromatic  1.308  0.020  1.308
 FE1  C7   H7    single    0.930  0.020  1.080
 FE1  C4   N4    single    1.328  0.020  1.328
 FE1  C4   N3    aromatic  1.314  0.020  1.314
 FE1  N4   HN41  single    0.860  0.020  1.020
 FE1  N4   HN42  single    0.860  0.020  1.020
 FE1  N3   C2    aromatic  1.353  0.020  1.353
 FE1  C2   N1    aromatic  1.325  0.020  1.325
 FE1  C2   N2    single    1.344  0.020  1.344
 FE1  N2   HN21  single    0.890  0.020  1.040
 FE1  N2   HN22  single    0.890  0.020  1.040

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
 FE1  CAT   CAU  NAV   118.13  3.000
 FE1  CAT   CAU  OAZ   119.65  3.000
 FE1  NAV   CAU  OAZ   122.15  3.000
 FE1  CBA   NAV  CAW   112.40  3.000
 FE1  CBA   NAV  CAU   119.15  3.000
 FE1  CAW   NAV  CAU   123.86  3.000
 FE1  HAW2  CAW  HAW1  107.22  3.000
 FE1  HAW2  CAW  CAX   109.31  3.000
 FE1  HAW1  CAW  CAX   110.19  3.000
 FE1  HAW2  CAW  NAV   110.59  3.000
 FE1  HAW1  CAW  NAV   108.63  3.000
 FE1  CAX   CAW  NAV   110.83  3.000
 FE1  HAX2  CAX  HAX1  107.13  3.000
 FE1  HAX2  CAX  CBC   110.08  3.000
 FE1  HAX1  CAX  CBC   110.80  3.000
 FE1  HAX2  CAX  CAW   108.90  3.000
 FE1  HAX1  CAX  CAW   108.51  3.000
 FE1  CBC   CAX  CAW   111.30  3.000
 FE1  HBA2  CBA  HBA1  107.41  3.000
 FE1  HBA2  CBA  CBB   110.78  3.000
 FE1  HBA1  CBA  CBB   109.35  3.000
 FE1  HBA2  CBA  NAV   109.85  3.000
 FE1  HBA1  CBA  NAV   107.61  3.000
 FE1  CBB   CBA  NAV   111.69  3.000
 FE1  HBB2  CBB  HBB1  107.52  3.000
 FE1  HBB2  CBB  CBC   110.98  3.000
 FE1  HBB1  CBB  CBC   110.03  3.000
 FE1  HBB2  CBB  CBA   109.05  3.000
 FE1  HBB1  CBB  CBA   109.49  3.000
 FE1  CBC   CBB  CBA   109.74  3.000
 FE1  HBC   CBC  CBD   107.03  3.000
 FE1  HBC   CBC  CBB   107.61  3.000
 FE1  CBD   CBC  CBB   111.28  3.000
 FE1  HBC   CBC  CAX   108.76  3.000
 FE1  CBD   CBC  CAX   111.72  3.000
 FE1  CBB   CBC  CAX   110.26  3.000
 FE1  OBE   CBD  OBG   123.16  3.000
 FE1  OBE   CBD  CBC   111.65  3.000
 FE1  OBG   CBD  CBC   125.19  3.000
 FE1  CBF   OBE  CBD   117.66  3.000
 FE1  HBF3  CBF  HBF2  109.28  3.000
 FE1  HBF3  CBF  HBF1  109.32  3.000
 FE1  HBF2  CBF  HBF1  109.21  3.000
 FE1  HBF3  CBF  OBE   105.97  3.000
 FE1  HBF2  CBF  OBE   111.52  3.000
 FE1  HBF1  CBF  OBE   111.46  3.000
 FE1  CAL   CAT  CAS   117.55  3.000
 FE1  CAL   CAT  CAU   122.85  3.000
 FE1  CAS   CAT  CAU   119.26  3.000
 FE1  HAS   CAS  CAR   118.59  3.000
 FE1  HAS   CAS  CAT   119.78  3.000
 FE1  CAR   CAS  CAT   121.62  3.000
 FE1  HAR   CAR  CAJ   121.05  3.000
 FE1  HAR   CAR  CAS   117.81  3.000
 FE1  CAJ   CAR  CAS   121.14  3.000
 FE1  N10   CAJ  CAK   121.14  3.000
 FE1  N10   CAJ  CAR   121.86  3.000
 FE1  CAK   CAJ  CAR   116.99  3.000
 FE1  HAK   CAK  CAL   118.02  3.000
 FE1  HAK   CAK  CAJ   120.82  3.000
 FE1  CAL   CAK  CAJ   121.15  3.000
 FE1  HAL   CAL  CAK   118.26  3.000
 FE1  HAL   CAL  CAT   120.20  3.000
 FE1  CAK   CAL  CAT   121.52  3.000
 FE1  C9    N10  CAB   116.37  3.000
 FE1  C9    N10  CAJ   119.60  3.000
 FE1  CAB   N10  CAJ   118.91  3.000
 FE1  HAB3  CAB  HAB2  108.10  3.000
 FE1  HAB3  CAB  HAB1  108.32  3.000
 FE1  HAB2  CAB  HAB1  107.20  3.000
 FE1  HAB3  CAB  N10   112.81  3.000
 FE1  HAB2  CAB  N10   109.07  3.000
 FE1  HAB1  CAB  N10   111.16  3.000
 FE1  H92   C9   H91   104.72  3.000
 FE1  H92   C9   C6    109.47  3.000
 FE1  H91   C9   C6    109.28  3.000
 FE1  H92   C9   N10   110.92  3.000
 FE1  H91   C9   N10   108.46  3.000
 FE1  C6    C9   N10   113.59  3.000
 FE1  C7    C6   N5    119.69  3.000
 FE1  C7    C6   C9    121.17  3.000
 FE1  N5    C6   C9    119.14  3.000
 FE1  C4A   N5   C6    117.66  3.000
 FE1  C4    C4A  C8A   116.46  3.000
 FE1  C4    C4A  N5    120.40  3.000
 FE1  C8A   C4A  N5    123.13  3.000
 FE1  N1    C8A  N8    118.66  3.000
 FE1  N1    C8A  C4A   122.51  3.000
 FE1  N8    C8A  C4A   118.83  3.000
 FE1  C7    N8   C8A   117.23  3.000
 FE1  H7    C7   N8    116.99  3.000
 FE1  H7    C7   C6    119.56  3.000
 FE1  N8    C7   C6    123.45  3.000
 FE1  N3    C4   N4    120.79  3.000
 FE1  N3    C4   C4A   120.25  3.000
 FE1  N4    C4   C4A   118.96  3.000
 FE1  HN42  N4   HN41  119.08  3.000
 FE1  HN42  N4   C4    119.93  3.000
 FE1  HN41  N4   C4    120.87  3.000
 FE1  C2    N3   C4    117.66  3.000
 FE1  N2    C2   N1    117.51  3.000
 FE1  N2    C2   N3    115.06  3.000
 FE1  N1    C2   N3    127.42  3.000
 FE1  C2    N1   C8A   115.69  3.000
 FE1  HN22  N2   HN21  117.60  3.000
 FE1  HN22  N2   C2    119.19  3.000
 FE1  HN21  N2   C2    119.17  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
 FE1  CONST_01  CAJ   CAR  CAS  CAT    0.00   0.0  0
 FE1  CONST_02  CAJ   CAK  CAL  CAT    0.00   0.0  0
 FE1  CONST_03  CAK   CAL  CAT  CAS    0.00   0.0  0
 FE1  CONST_04  CAK   CAJ  CAR  CAS    0.00   0.0  0
 FE1  CONST_05  CAL   CAT  CAS  CAR    0.00   0.0  0
 FE1  CONST_06  CAL   CAK  CAJ  CAR    0.00   0.0  0
 FE1  CONST_07  C8A   C4A  N5   C6     0.00   0.0  0
 FE1  CONST_08  C4    C4A  N5   C6   180.00   0.0  0
 FE1  CONST_09  C8A   N8   C7   C6     0.00   0.0  0
 FE1  CONST_10  N8    C7   C6   N5     0.00   0.0  0
 FE1  CONST_11  N8    C8A  C4A  N5     0.00   0.0  0
 FE1  CONST_12  N1    C8A  C4A  N5   180.00   0.0  0
 FE1  CONST_13  N3    C4   C4A  N5   180.00   0.0  0
 FE1  CONST_14  C7    C6   N5   C4A    0.00   0.0  0
 FE1  CONST_15  C7    N8   C8A  C4A    0.00   0.0  0
 FE1  CONST_16  C2    N1   C8A  C4A    0.00   0.0  0
 FE1  CONST_17  C2    N3   C4   C4A    0.00   0.0  0
 FE1  CONST_18  N3    C4   C4A  C8A    0.00   0.0  0
 FE1  CONST_19  N3    C2   N1   C8A    0.00   0.0  0
 FE1  CONST_20  C4    C4A  C8A  N8   180.00   0.0  0
 FE1  CONST_21  C2    N1   C8A  N8   180.00   0.0  0
 FE1  CONST_22  N1    C8A  N8   C7   180.00   0.0  0
 FE1  CONST_23  N1    C8A  C4A  C4     0.00   0.0  0
 FE1  CONST_24  N1    C2   N3   C4     0.00   0.0  0
 FE1  CONST_25  CAR   CAS  CAT  CAU  180.00   0.0  0
 FE1  CONST_26  CAK   CAL  CAT  CAU  180.00   0.0  0
 FE1  CONST_27  N10   CAJ  CAR  CAS  180.00   0.0  0
 FE1  CONST_28  N10   CAJ  CAK  CAL  180.00   0.0  0
 FE1  CONST_29  C4A   N5   C6   C9   180.00   0.0  0
 FE1  CONST_30  N8    C7   C6   C9   180.00   0.0  0
 FE1  CONST_31  N4    C4   C4A  N5     0.00   0.0  0
 FE1  CONST_32  N4    C4   C4A  C8A  180.00   0.0  0
 FE1  CONST_33  N2    C2   N1   C8A  180.00   0.0  0
 FE1  CONST_34  N2    C2   N3   C4   180.00   0.0  0
 FE1  CONST_35  C2    N3   C4   N4   180.00   0.0  0
 FE1  CONST_37  CAT   CAU  NAV  CBA  180.00   0.0  0
 FE1  CONST_38  HAR   CAR  CAS  CAT  180.00   0.0  0
 FE1  CONST_39  HAK   CAK  CAL  CAT  180.00   0.0  0
 FE1  CONST_40  HAL   CAL  CAT  CAS  180.00   0.0  0
 FE1  CONST_41  HAS   CAS  CAR  CAJ  180.00   0.0  0
 FE1  CONST_42  H7    C7   C6   N5   180.00   0.0  0
 FE1  CONST_44  CBA   NAV  CAU  OAZ    0.00   0.0  0
 FE1  CONST_45  CAB   N10  CAJ  CAR  180.00   0.0  0
 FE1  CONST_47  CAB   N10  CAJ  CAK    0.00   0.0  0
 FE1  CONST_49  HN41  N4   C4   C4A  180.00   0.0  0
 FE1  CONST_50  HN42  N4   C4   C4A    0.00   0.0  0
 FE1  CONST_51  HN21  N2   C2   N3   180.00   0.0  0
 FE1  CONST_52  HN22  N2   C2   N3     0.00   0.0  0
 FE1  Var_01    CBC   CAX  CAW  NAV  -55.04  30.0  1
 FE1  Var_02    CBC   CBB  CBA  NAV   56.42  30.0  1
 FE1  Var_03    CBB   CBA  NAV  CAW  -59.22  30.0  1
 FE1  Var_04    CBA   NAV  CAW  CAX   57.74  30.0  1
 FE1  Var_05    CAS   CAT  CAU  NAV  142.94  30.0  2
 FE1  Var_06    C6    C9   N10  CAJ   70.02  30.0  3
 FE1  Var_07    N5    C6   C9   N10    0.04  30.0  2
 FE1  Var_08    HAB1  CAB  N10  CAJ   60.74  30.0  3
 FE1  Var_09    HBF1  CBF  OBE  CBD  -59.99  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
 FE1  chir_01  CBC  CAX  CBB  CBD  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
 FE1  plan-1  CBC   0.020
 FE1  plan-1  CBD   0.020
 FE1  plan-1  OBG   0.020
 FE1  plan-1  OBE   0.020
 FE1  plan-2  CAU   0.020
 FE1  plan-2  CAT   0.020
 FE1  plan-2  CAS   0.020
 FE1  plan-2  CAR   0.020
 FE1  plan-2  CAJ   0.020
 FE1  plan-2  CAK   0.020
 FE1  plan-2  CAL   0.020
 FE1  plan-2  N10   0.020
 FE1  plan-2  HAS   0.020
 FE1  plan-2  HAR   0.020
 FE1  plan-2  HAK   0.020
 FE1  plan-2  HAL   0.020
 FE1  plan-3  C9    0.020
 FE1  plan-3  C6    0.020
 FE1  plan-3  N5    0.020
 FE1  plan-3  C4A   0.020
 FE1  plan-3  C8A   0.020
 FE1  plan-3  N8    0.020
 FE1  plan-3  C7    0.020
 FE1  plan-3  C4    0.020
 FE1  plan-3  N4    0.020
 FE1  plan-3  N3    0.020
 FE1  plan-3  C2    0.020
 FE1  plan-3  N1    0.020
 FE1  plan-3  N2    0.020
 FE1  plan-3  H7    0.020
 FE1  plan-4  CAJ   0.020
 FE1  plan-4  N10   0.020
 FE1  plan-4  CAB   0.020
 FE1  plan-4  C9    0.020
 FE1  plan-5  C4    0.020
 FE1  plan-5  N4    0.020
 FE1  plan-5  HN41  0.020
 FE1  plan-5  HN42  0.020
 FE1  plan-6  C2    0.020
 FE1  plan-6  N2    0.020
 FE1  plan-6  HN21  0.020
 FE1  plan-6  HN22  0.020
 FE1  plan-7  OAZ   0.020
 FE1  plan-7  CAU   0.020
 FE1  plan-7  NAV   0.020
 FE1  plan-7  CAW   0.020
 FE1  plan-7  CBA   0.020
 FE1  plan-7  CAT   0.020

