# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr 29 08:33:43 2020
#   Inital geometry file: a 155 line input string
#   Ligand name: (2~{R},3~{R},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(=O)N[C@H](C(=O)N1C[C@H](O)[C@H](F)[C@H]1C(=O)NCc2ccc(cc2)c3scnc3C)C(C)(C)C
#
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
 EXH  EXH  (2~{R},3~{R},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide  ligand  65  34  .  2021-08-08  2021-08-08  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_EXH
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
 EXH  CAA  C  CH3   0  -0.779    6.5774   1.5025  -3.1934
 EXH  CAV  C  C     0   0.524    6.3320   0.6277  -1.9900
 EXH  OAF  O  O     0  -0.499    6.9292  -0.4269  -1.8264
 EXH  N    N  NH1   0  -0.625    5.3997   1.0912  -1.1345
 EXH  CA   C  CH1   0  -0.185    4.9641   0.3871   0.0465
 EXH  CB   C  CT    0  -0.087    5.3052   1.1600   1.3536
 EXH  CG1  C  CH3   0  -0.651    4.5779   2.5019   1.4518
 EXH  CAE  C  CH3   0  -0.672    4.9358   0.3018   2.5650
 EXH  CG2  C  CH3   0  -0.640    6.8154   1.4051   1.3745
 EXH  C    C  C     0   0.602    3.4701   0.1215  -0.1127
 EXH  O    O  O     0  -0.489    2.7207   1.0081  -0.5017
 EXH  NBG  N  NT    0  -0.485    2.9888  -1.1008   0.1664
 EXH  CAQ  C  CH2   0  -0.326    3.7028  -2.2985   0.5769
 EXH  CBC  C  CH1   0   0.009    2.5854  -3.1309   1.2116
 EXH  OAI  O  OH1   0  -0.659    2.8245  -4.5022   1.2618
 EXH  CBD  C  CH1   0   0.147    1.3919  -2.8116   0.3299
 EXH  FAJ  F  F     0  -0.370    1.5053  -3.5267  -0.8567
 EXH  CBF  C  CH1   0  -0.274    1.5606  -1.3251   0.0252
 EXH  CAW  C  C     0   0.579    0.7743  -0.4708   1.0198
 EXH  OAG  O  O     0  -0.477    1.1526  -0.3230   2.1700
 EXH  NAS  N  NH1   0  -0.631   -0.3731   0.0198   0.5370
 EXH  CAP  C  CH2   0  -0.327   -1.2854   0.8283   1.3181
 EXH  CAZ  C  CR6   0   0.063   -2.6892   0.6943   0.7957
 EXH  CAL  C  CR16  0  -0.264   -3.3199  -0.5482   0.7653
 EXH  CAN  C  CR16  0  -0.292   -4.6077  -0.6756   0.2767
 EXH  CAK  C  CR16  0  -0.288   -3.3840   1.8038   0.3316
 EXH  CAM  C  CR16  0  -0.290   -4.6799   1.6835  -0.1498
 EXH  CBA  C  CR6   0   0.084   -5.3071   0.4398  -0.1937
 EXH  CBB  C  CR5   0  -0.311   -6.6685   0.3069  -0.7144
 EXH  SAU  S  S2    0   0.223   -7.8462  -0.6503   0.1093
 EXH  CAO  C  CR15  0  -0.222   -8.9914  -0.2515  -1.0993
 EXH  NAR  N  N     0  -0.372   -8.5472   0.5225  -2.0338
 EXH  CAY  C  CR5   0   0.323   -7.2330   0.8509  -1.8380
 EXH  CAB  C  CH3   0  -0.745   -6.5475   1.7153  -2.8434
 EXH  H1   H  HCH3  0   0.270    6.1254   1.0380  -4.0710
 EXH  H2   H  HCH3  0   0.250    6.1669   2.5056  -3.0926
 EXH  H3   H  HCH3  0   0.264    7.6473   1.5785  -3.3791
 EXH  H4   H  HNH1  0   0.400    4.9258   1.9496  -1.3647
 EXH  H5   H  HCH1  0   0.280    5.5238  -0.5483   0.0693
 EXH  H6   H  HCH3  0   0.235    3.5038   2.3807   1.5872
 EXH  H7   H  HCH3  0   0.229    4.9558   3.0533   2.3147
 EXH  H8   H  HCH3  0   0.224    4.7378   3.1324   0.5752
 EXH  H9   H  HCH3  0   0.229    5.4949  -0.6365   2.5721
 EXH  H10  H  HCH3  0   0.241    5.1900   0.8314   3.4847
 EXH  H11  H  HCH3  0   0.242    3.8698   0.0703   2.6079
 EXH  H12  H  HCH3  0   0.231    7.1316   2.0791   0.5782
 EXH  H13  H  HCH3  0   0.233    7.1022   1.8598   2.3243
 EXH  H14  H  HCH3  0   0.226    7.3760   0.4739   1.2715
 EXH  H15  H  HCH2  0   0.261    4.1410  -2.8202  -0.2789
 EXH  H16  H  HCH2  0   0.272    4.4930  -2.0866   1.2922
 EXH  H17  H  HCH1  0   0.246    2.3706  -2.7122   2.2023
 EXH  H18  H  HOH1  0   0.464    3.4218  -4.6791   1.9946
 EXH  H19  H  HCH1  0   0.264    0.4273  -3.0605   0.7750
 EXH  H20  H  HCH1  0   0.307    1.2245  -1.1171  -0.9950
 EXH  H21  H  HNH1  0   0.407   -0.5442  -0.0428  -0.4543
 EXH  H22  H  HCH2  0   0.269   -1.2342   0.4973   2.3561
 EXH  H23  H  HCH2  0   0.262   -0.9818   1.8788   1.3033
 EXH  H24  H  HCR6  0   0.258   -2.7988  -1.4293   1.1202
 EXH  H25  H  HCR6  0   0.258   -5.0693  -1.6552   0.2464
 EXH  H26  H  HCR6  0   0.261   -2.9146   2.7800   0.3542
 EXH  H27  H  HCR6  0   0.263   -5.2080   2.5692  -0.4780
 EXH  H28  H  HCR5  0   0.302  -10.0019  -0.6345  -1.0583
 EXH  H29  H  HCH3  0   0.255   -6.7782   2.7706  -2.6854
 EXH  H30  H  HCH3  0   0.249   -5.4658   1.6046  -2.8025
 EXH  H31  H  HCH3  0   0.258   -6.8795   1.4576  -3.8486

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
 EXH  NAR  CAO  aromatic  1.292  0.020  1.292
 EXH  NAR  CAY  aromatic  1.369  0.020  1.369
 EXH  CAO  SAU  aromatic  1.712  0.020  1.712
 EXH  CAB  CAY  single    1.493  0.020  1.493
 EXH  CAY  CBB  aromatic  1.370  0.020  1.370
 EXH  SAU  CBB  aromatic  1.727  0.020  1.727
 EXH  CBB  CBA  single    1.464  0.020  1.464
 EXH  CBA  CAN  aromatic  1.398  0.020  1.398
 EXH  CBA  CAM  aromatic  1.394  0.020  1.394
 EXH  CAN  CAL  aromatic  1.383  0.020  1.383
 EXH  CAM  CAK  aromatic  1.388  0.020  1.388
 EXH  CAL  CAZ  aromatic  1.394  0.020  1.394
 EXH  CAK  CAZ  aromatic  1.389  0.020  1.389
 EXH  CAZ  CAP  single    1.504  0.020  1.504
 EXH  CAP  NAS  single    1.448  0.020  1.448
 EXH  NAS  CAW  single    1.338  0.020  1.338
 EXH  FAJ  CBD  single    1.390  0.020  1.390
 EXH  CBD  CBF  single    1.527  0.020  1.527
 EXH  CBD  CBC  single    1.518  0.020  1.518
 EXH  CAW  OAG  double    1.220  0.020  1.220
 EXH  CAW  CBF  single    1.529  0.020  1.529
 EXH  CBF  NBG  single    1.453  0.020  1.453
 EXH  CBC  OAI  single    1.393  0.020  1.393
 EXH  CBC  CAQ  single    1.531  0.020  1.531
 EXH  NBG  CAQ  single    1.454  0.020  1.454
 EXH  NBG  C    single    1.343  0.020  1.343
 EXH  O    C    double    1.224  0.020  1.224
 EXH  C    CA   single    1.526  0.020  1.526
 EXH  CAE  CB   single    1.530  0.020  1.530
 EXH  CA   CB   single    1.556  0.020  1.556
 EXH  CA   N    single    1.442  0.020  1.442
 EXH  CG2  CB   single    1.530  0.020  1.530
 EXH  CB   CG1  single    1.529  0.020  1.529
 EXH  N    CAV  single    1.348  0.020  1.348
 EXH  CAV  OAF  double    1.223  0.020  1.223
 EXH  CAV  CAA  single    1.508  0.020  1.508
 EXH  CAA  H1   single    0.970  0.020  1.090
 EXH  CAA  H2   single    0.970  0.020  1.090
 EXH  CAA  H3   single    0.970  0.020  1.090
 EXH  N    H4   single    0.860  0.020  1.020
 EXH  CA   H5   single    0.970  0.020  1.090
 EXH  CG1  H6   single    0.970  0.020  1.090
 EXH  CG1  H7   single    0.970  0.020  1.090
 EXH  CG1  H8   single    0.970  0.020  1.090
 EXH  CAE  H9   single    0.970  0.020  1.090
 EXH  CAE  H10  single    0.970  0.020  1.090
 EXH  CAE  H11  single    0.970  0.020  1.090
 EXH  CG2  H12  single    0.970  0.020  1.090
 EXH  CG2  H13  single    0.970  0.020  1.090
 EXH  CG2  H14  single    0.970  0.020  1.090
 EXH  CAQ  H15  single    0.970  0.020  1.090
 EXH  CAQ  H16  single    0.970  0.020  1.090
 EXH  CBC  H17  single    0.970  0.020  1.090
 EXH  OAI  H18  single    0.850  0.020  0.980
 EXH  CBD  H19  single    0.970  0.020  1.090
 EXH  CBF  H20  single    0.970  0.020  1.090
 EXH  NAS  H21  single    0.860  0.020  1.020
 EXH  CAP  H22  single    0.970  0.020  1.090
 EXH  CAP  H23  single    0.970  0.020  1.090
 EXH  CAL  H24  single    0.930  0.020  1.080
 EXH  CAN  H25  single    0.930  0.020  1.080
 EXH  CAK  H26  single    0.930  0.020  1.080
 EXH  CAM  H27  single    0.930  0.020  1.080
 EXH  CAO  H28  single    0.930  0.020  1.080
 EXH  CAB  H29  single    0.970  0.020  1.090
 EXH  CAB  H30  single    0.970  0.020  1.090
 EXH  CAB  H31  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
 EXH  H3   CAA  H2   108.79  3.000
 EXH  H3   CAA  H1   107.44  3.000
 EXH  H2   CAA  H1   108.10  3.000
 EXH  H3   CAA  CAV  109.66  3.000
 EXH  H2   CAA  CAV  113.54  3.000
 EXH  H1   CAA  CAV  109.12  3.000
 EXH  N    CAV  OAF  123.33  3.000
 EXH  OAF  CAV  CAA  121.85  3.000
 EXH  N    CAV  CAA  114.81  3.000
 EXH  H4   N    CA   117.46  3.000
 EXH  H4   N    CAV  118.27  3.000
 EXH  CA   N    CAV  124.12  3.000
 EXH  H5   CA   C    110.82  3.000
 EXH  H5   CA   CB   107.21  3.000
 EXH  C    CA   CB   112.87  3.000
 EXH  H5   CA   N    106.31  3.000
 EXH  CB   CA   N    112.28  3.000
 EXH  C    CA   N    107.18  3.000
 EXH  CG2  CB   CAE  108.50  3.000
 EXH  CG2  CB   CG1  109.14  3.000
 EXH  CAE  CB   CG1  109.06  3.000
 EXH  CG1  CB   CA   112.67  3.000
 EXH  CG2  CB   CA   107.90  3.000
 EXH  CAE  CB   CA   109.48  3.000
 EXH  H8   CG1  H7   107.00  3.000
 EXH  H8   CG1  H6   107.98  3.000
 EXH  H7   CG1  H6   107.42  3.000
 EXH  H8   CG1  CB   112.68  3.000
 EXH  H7   CG1  CB   109.22  3.000
 EXH  H6   CG1  CB   112.28  3.000
 EXH  H11  CAE  H10  107.29  3.000
 EXH  H11  CAE  H9   108.50  3.000
 EXH  H10  CAE  H9   106.99  3.000
 EXH  H11  CAE  CB   112.70  3.000
 EXH  H10  CAE  CB   109.81  3.000
 EXH  H9   CAE  CB   111.31  3.000
 EXH  H14  CG2  H13  107.61  3.000
 EXH  H14  CG2  H12  108.03  3.000
 EXH  H13  CG2  H12  107.58  3.000
 EXH  H14  CG2  CB   111.64  3.000
 EXH  H13  CG2  CB   109.75  3.000
 EXH  H12  CG2  CB   112.05  3.000
 EXH  NBG  C    O    120.39  3.000
 EXH  O    C    CA   120.42  3.000
 EXH  NBG  C    CA   119.19  3.000
 EXH  CBF  NBG  CAQ  112.53  3.000
 EXH  CAQ  NBG  C    129.25  3.000
 EXH  CBF  NBG  C    118.21  3.000
 EXH  H16  CAQ  H15  108.46  3.000
 EXH  H16  CAQ  CBC  111.34  3.000
 EXH  H15  CAQ  CBC  110.94  3.000
 EXH  H16  CAQ  NBG  112.48  3.000
 EXH  H15  CAQ  NBG  111.64  3.000
 EXH  CBC  CAQ  NBG  101.92  3.000
 EXH  H17  CBC  CBD  106.88  3.000
 EXH  H17  CBC  OAI  112.14  3.000
 EXH  CBD  CBC  OAI  111.29  3.000
 EXH  H17  CBC  CAQ  108.04  3.000
 EXH  OAI  CBC  CAQ  115.15  3.000
 EXH  CBD  CBC  CAQ  102.63  3.000
 EXH  H18  OAI  CBC  108.37  3.000
 EXH  H19  CBD  CBF  113.65  3.000
 EXH  H19  CBD  FAJ  107.64  3.000
 EXH  CBF  CBD  FAJ  108.75  3.000
 EXH  H19  CBD  CBC  114.22  3.000
 EXH  CBF  CBD  CBC  103.53  3.000
 EXH  FAJ  CBD  CBC  108.88  3.000
 EXH  H20  CBF  CAW  110.03  3.000
 EXH  H20  CBF  CBD  109.71  3.000
 EXH  CAW  CBF  CBD  110.94  3.000
 EXH  H20  CBF  NBG  111.30  3.000
 EXH  CAW  CBF  NBG  110.86  3.000
 EXH  CBD  CBF  NBG  103.86  3.000
 EXH  NAS  CAW  OAG  124.18  3.000
 EXH  OAG  CAW  CBF  121.45  3.000
 EXH  NAS  CAW  CBF  114.27  3.000
 EXH  H21  NAS  CAP  117.28  3.000
 EXH  H21  NAS  CAW  118.54  3.000
 EXH  CAP  NAS  CAW  123.40  3.000
 EXH  H23  CAP  H22  106.95  3.000
 EXH  H23  CAP  CAZ  109.88  3.000
 EXH  H22  CAP  CAZ  110.33  3.000
 EXH  H23  CAP  NAS  110.74  3.000
 EXH  H22  CAP  NAS  108.32  3.000
 EXH  CAZ  CAP  NAS  110.55  3.000
 EXH  CAK  CAZ  CAL  118.59  3.000
 EXH  CAK  CAZ  CAP  120.79  3.000
 EXH  CAL  CAZ  CAP  120.63  3.000
 EXH  H24  CAL  CAN  119.25  3.000
 EXH  H24  CAL  CAZ  120.01  3.000
 EXH  CAN  CAL  CAZ  120.74  3.000
 EXH  H25  CAN  CBA  119.92  3.000
 EXH  H25  CAN  CAL  119.33  3.000
 EXH  CBA  CAN  CAL  120.74  3.000
 EXH  H26  CAK  CAM  119.34  3.000
 EXH  H26  CAK  CAZ  119.74  3.000
 EXH  CAM  CAK  CAZ  120.92  3.000
 EXH  H27  CAM  CBA  120.08  3.000
 EXH  H27  CAM  CAK  119.34  3.000
 EXH  CBA  CAM  CAK  120.57  3.000
 EXH  CBB  CBA  CAM  120.73  3.000
 EXH  CAM  CBA  CAN  118.44  3.000
 EXH  CBB  CBA  CAN  120.84  3.000
 EXH  CAY  CBB  SAU  109.29  3.000
 EXH  SAU  CBB  CBA  121.00  3.000
 EXH  CAY  CBB  CBA  129.71  3.000
 EXH  CAO  SAU  CBB   89.44  3.000
 EXH  H28  CAO  NAR  124.11  3.000
 EXH  H28  CAO  SAU  121.05  3.000
 EXH  NAR  CAO  SAU  114.84  3.000
 EXH  CAY  NAR  CAO  111.74  3.000
 EXH  CAB  CAY  NAR  118.92  3.000
 EXH  CAB  CAY  CBB  126.38  3.000
 EXH  NAR  CAY  CBB  114.68  3.000
 EXH  H31  CAB  H30  108.27  3.000
 EXH  H31  CAB  H29  107.33  3.000
 EXH  H30  CAB  H29  107.63  3.000
 EXH  H31  CAB  CAY  110.15  3.000
 EXH  H30  CAB  CAY  111.86  3.000
 EXH  H29  CAB  CAY  111.43  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
 EXH  CONST_01  CBA  CAN  CAL  CAZ     0.00   0.0  0
 EXH  CONST_02  CBA  CAM  CAK  CAZ     0.00   0.0  0
 EXH  CONST_03  CBB  CBA  CAN  CAL   180.00   0.0  0
 EXH  CONST_04  CAM  CBA  CAN  CAL     0.00   0.0  0
 EXH  CONST_05  CAM  CAK  CAZ  CAL     0.00   0.0  0
 EXH  CONST_08  CAK  CAM  CBA  CAN     0.00   0.0  0
 EXH  CONST_09  CAK  CAZ  CAL  CAN     0.00   0.0  0
 EXH  CONST_10  CBB  CBA  CAM  CAK   180.00   0.0  0
 EXH  CONST_13  NAR  CAY  CBB  CBA   180.00   0.0  0
 EXH  CONST_14  CAO  SAU  CBB  CBA   180.00   0.0  0
 EXH  CONST_15  CAO  NAR  CAY  CBB     0.00   0.0  0
 EXH  CONST_16  NAR  CAO  SAU  CBB     0.00   0.0  0
 EXH  CONST_17  CAY  NAR  CAO  SAU     0.00   0.0  0
 EXH  CONST_18  NAR  CAY  CBB  SAU     0.00   0.0  0
 EXH  CONST_19  CAY  CBB  SAU  CAO     0.00   0.0  0
 EXH  CONST_20  CAN  CAL  CAZ  CAP   180.00   0.0  0
 EXH  CONST_21  CAM  CAK  CAZ  CAP   180.00   0.0  0
 EXH  CONST_22  CAB  CAY  CBB  CBA     0.00   0.0  0
 EXH  CONST_23  CAB  CAY  CBB  SAU   180.00   0.0  0
 EXH  CONST_24  CAB  CAY  NAR  CAO   180.00   0.0  0
 EXH  CONST_25  H25  CAN  CAL  CAZ   180.00   0.0  0
 EXH  CONST_26  H27  CAM  CAK  CAZ   180.00   0.0  0
 EXH  CONST_27  H26  CAK  CAZ  CAL   180.00   0.0  0
 EXH  CONST_28  H24  CAL  CAZ  CAK   180.00   0.0  0
 EXH  CONST_29  H28  CAO  SAU  CBB   180.00   0.0  0
 EXH  CONST_30  CBF  NBG  C    CA    180.00   0.0  0
 EXH  CONST_31  CAQ  NBG  C    CA      0.00   0.0  0
 EXH  CONST_32  CBF  NBG  C    O       0.00   0.0  0
 EXH  CONST_33  CAQ  NBG  C    O     180.00   0.0  0
 EXH  CONST_34  CAP  NAS  CAW  CBF   180.00   0.0  0
 EXH  CONST_35  H21  NAS  CAW  CBF     0.00   0.0  0
 EXH  CONST_36  CA   N    CAV  CAA   180.00   0.0  0
 EXH  CONST_37  CA   N    CAV  OAF     0.00   0.0  0
 EXH  CONST_38  CAP  NAS  CAW  OAG     0.00   0.0  0
 EXH  CONST_39  H4   N    CAV  CAA     0.00   0.0  0
 EXH  Var_01    CBF  NBG  CAQ  CBC   -21.59  30.0  1
 EXH  Var_02    CAL  CAZ  CAP  NAS    59.97  30.0  2
 EXH  Var_03    H29  CAB  CAY  CBB  -100.41  30.0  2
 EXH  Var_04    CAZ  CAP  NAS  CAW  -153.55  30.0  1
 EXH  Var_05    H1   CAA  CAV  OAF    73.34  30.0  3
 EXH  Var_06    H9   CAE  CB   CA     60.67  30.0  3
 EXH  Var_07    H12  CG2  CB   CA     66.04  30.0  3
 EXH  Var_08    H6   CG1  CB   CA     68.49  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
 EXH  chir_01  CA   C    CB   N    positiv
 EXH  chir_02  CBC  OAI  CBD  CAQ  positiv
 EXH  chir_03  CBD  FAJ  CBF  CBC  positiv
 EXH  chir_04  CBF  NBG  CAW  CBD  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
 EXH  plan-1  CBA  0.020
 EXH  plan-1  CBB  0.020
 EXH  plan-1  SAU  0.020
 EXH  plan-1  CAO  0.020
 EXH  plan-1  NAR  0.020
 EXH  plan-1  CAY  0.020
 EXH  plan-1  CAB  0.020
 EXH  plan-1  H28  0.020
 EXH  plan-2  CAP  0.020
 EXH  plan-2  CAZ  0.020
 EXH  plan-2  CAL  0.020
 EXH  plan-2  CAN  0.020
 EXH  plan-2  CAK  0.020
 EXH  plan-2  CAM  0.020
 EXH  plan-2  CBA  0.020
 EXH  plan-2  CBB  0.020
 EXH  plan-2  H24  0.020
 EXH  plan-2  H25  0.020
 EXH  plan-2  H26  0.020
 EXH  plan-2  H27  0.020
 EXH  plan-3  CA   0.020
 EXH  plan-3  C    0.020
 EXH  plan-3  O    0.020
 EXH  plan-3  NBG  0.020
 EXH  plan-3  CAQ  0.020
 EXH  plan-3  CBF  0.020
 EXH  plan-4  CBF  0.020
 EXH  plan-4  CAW  0.020
 EXH  plan-4  OAG  0.020
 EXH  plan-4  NAS  0.020
 EXH  plan-4  CAP  0.020
 EXH  plan-4  H21  0.020
 EXH  plan-5  CAA  0.020
 EXH  plan-5  CAV  0.020
 EXH  plan-5  OAF  0.020
 EXH  plan-5  N    0.020
 EXH  plan-5  CA   0.020
 EXH  plan-5  H4   0.020

