# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr  1 02:44:55 2020
#   Inital geometry file: a 155 line input string
#   Ligand name: N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(=O)N[C@H](C(=O)N1C[C@H](O)C[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
 3JF  3JF  N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide  ligand  65  33  .  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_3JF
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
 3JF  CAA  C  CH3   0  -0.778  -8.0657   0.4131   1.9084
 3JF  CAV  C  C     0   0.520  -7.1645  -0.1401   0.8330
 3JF  OAF  O  O     0  -0.502  -7.4713  -1.1237   0.1734
 3JF  NAT  N  NH1   0  -0.625  -6.0246   0.5517   0.6436
 3JF  CBE  C  CH1   0  -0.174  -5.0305   0.2195  -0.3477
 3JF  CBG  C  CT    0  -0.084  -4.9943   1.2437  -1.5214
 3JF  CAD  C  CH3   0  -0.654  -4.5905   2.6434  -1.0567
 3JF  CAE  C  CH3   0  -0.673  -4.0083   0.7644  -2.5876
 3JF  CAC  C  CH3   0  -0.643  -6.3938   1.3110  -2.1367
 3JF  CAX  C  C     0   0.594  -3.6900   0.1040   0.3729
 3JF  OAH  O  O     0  -0.498  -3.3796   0.9210   1.2324
 3JF  N    N  NT    0  -0.478  -2.8607  -0.8979   0.0451
 3JF  CD2  C  CH2   0  -0.305  -3.1156  -2.0498  -0.8102
 3JF  CG   C  CH1   0  -0.000  -2.0958  -3.0719  -0.3199
 3JF  OD1  O  OH1   0  -0.667  -2.5044  -3.7036   0.8707
 3JF  CB   C  CH2   0  -0.495  -0.9050  -2.1880   0.0098
 3JF  CA   C  CH1   0  -0.172  -1.5478  -0.9557   0.6618
 3JF  C    C  C     0   0.572  -0.7364   0.2972   0.3578
 3JF  O    O  O     0  -0.486  -0.8345   0.8812  -0.7099
 3JF  NAS  N  NH1   0  -0.624   0.1278   0.6415   1.3229
 3JF  CAO  C  CH2   0  -0.393   1.0736   1.7307   1.2104
 3JF  CAY  C  CR6   0   0.117   2.4506   1.2755   0.7978
 3JF  CAK  C  CR16  0  -0.276   2.6737   0.7267  -0.4644
 3JF  CAM  C  CR16  0  -0.293   3.9354   0.3001  -0.8376
 3JF  CAJ  C  CR16  0  -0.291   3.5276   1.3924   1.6675
 3JF  CAL  C  CR16  0  -0.293   4.7983   0.9773   1.2939
 3JF  CBA  C  CR6   0   0.087   5.0199   0.4159   0.0376
 3JF  CBB  C  CR5   0  -0.310   6.3557  -0.0273  -0.3641
 3JF  SAU  S  S2    0   0.221   6.9693   0.3256  -1.9389
 3JF  CAN  C  CR15  0  -0.222   8.4190  -0.4936  -1.5403
 3JF  NAR  N  N     0  -0.373   8.4526  -0.9865  -0.3462
 3JF  CAZ  C  CR5   0   0.321   7.2946  -0.7354   0.3388
 3JF  CAB  C  CH3   0  -0.746   7.1488  -1.2595   1.7286
 3JF  H1   H  HCH3  0   0.262  -8.5296  -0.4029   2.4588
 3JF  H2   H  HCH3  0   0.250  -7.5471   1.0625   2.6116
 3JF  H3   H  HCH3  0   0.270  -8.8647   0.9919   1.4420
 3JF  H4   H  HNH1  0   0.398  -5.8293   1.3294   1.2534
 3JF  H5   H  HCH1  0   0.273  -5.3233  -0.7403  -0.7730
 3JF  H6   H  HCH3  0   0.237  -3.5614   2.6804  -0.7023
 3JF  H7   H  HCH3  0   0.228  -4.6765   3.3392  -1.8930
 3JF  H8   H  HCH3  0   0.221  -5.2391   3.0168  -0.2619
 3JF  H9   H  HCH3  0   0.225  -4.2912  -0.2133  -2.9854
 3JF  H10  H  HCH3  0   0.235  -3.9939   1.4655  -3.4244
 3JF  H11  H  HCH3  0   0.248  -2.9893   0.6975  -2.2044
 3JF  H12  H  HCH3  0   0.228  -7.1199   1.7391  -1.4445
 3JF  H13  H  HCH3  0   0.232  -6.3782   1.9469  -3.0240
 3JF  H14  H  HCH3  0   0.227  -6.7523   0.3253  -2.4388
 3JF  H15  H  HCH2  0   0.268  -4.1390  -2.4137  -0.7156
 3JF  H16  H  HCH2  0   0.253  -2.9330  -1.8163  -1.8618
 3JF  H17  H  HCH1  0   0.247  -1.8679  -3.7994  -1.1067
 3JF  H18  H  HOH1  0   0.454  -3.3261  -4.1753   0.7021
 3JF  H19  H  HCH2  0   0.276  -0.1771  -2.6721   0.6595
 3JF  H20  H  HCH2  0   0.263  -0.4017  -1.9101  -0.9183
 3JF  H21  H  HCH1  0   0.280  -1.6404  -1.0953   1.7431
 3JF  H22  H  HNH1  0   0.405   0.1595   0.0880   2.1642
 3JF  H23  H  HCH2  0   0.270   0.6811   2.4522   0.4941
 3JF  H24  H  HCH2  0   0.274   1.1255   2.2354   2.1755
 3JF  H25  H  HCR6  0   0.257   1.8549   0.6340  -1.1667
 3JF  H26  H  HCR6  0   0.256   4.0772  -0.1375  -1.8186
 3JF  H27  H  HCR6  0   0.258   3.3807   1.8258   2.6498
 3JF  H28  H  HCR6  0   0.261   5.6229   1.1122   1.9819
 3JF  H29  H  HCR5  0   0.302   9.2263  -0.5786  -2.2546
 3JF  H30  H  HCH3  0   0.254   7.6292  -0.6015   2.4556
 3JF  H31  H  HCH3  0   0.249   6.1034  -1.3607   2.0145
 3JF  H32  H  HCH3  0   0.257   7.6224  -2.2369   1.8134

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
 3JF  NAR  CAN  aromatic  1.292  0.020  1.292
 3JF  NAR  CAZ  aromatic  1.369  0.020  1.369
 3JF  CAN  SAU  aromatic  1.712  0.020  1.712
 3JF  CAB  CAZ  single    1.492  0.020  1.492
 3JF  CAZ  CBB  aromatic  1.370  0.020  1.370
 3JF  SAU  CBB  aromatic  1.727  0.020  1.727
 3JF  CBB  CBA  single    1.464  0.020  1.464
 3JF  CBA  CAL  aromatic  1.394  0.020  1.394
 3JF  CBA  CAM  aromatic  1.398  0.020  1.398
 3JF  CAL  CAJ  aromatic  1.388  0.020  1.388
 3JF  CAM  CAK  aromatic  1.383  0.020  1.383
 3JF  CAJ  CAY  aromatic  1.389  0.020  1.389
 3JF  CAK  CAY  aromatic  1.394  0.020  1.394
 3JF  CAY  CAO  single    1.508  0.020  1.508
 3JF  CAO  NAS  single    1.447  0.020  1.447
 3JF  NAS  C    single    1.341  0.020  1.341
 3JF  CB   CA   single    1.535  0.020  1.535
 3JF  CB   CG   single    1.519  0.020  1.519
 3JF  C    O    double    1.221  0.020  1.221
 3JF  C    CA   single    1.523  0.020  1.523
 3JF  CA   N    single    1.452  0.020  1.452
 3JF  CG   OD1  single    1.408  0.020  1.408
 3JF  CG   CD2  single    1.525  0.020  1.525
 3JF  N    CD2  single    1.457  0.020  1.457
 3JF  N    CAX  single    1.341  0.020  1.341
 3JF  OAH  CAX  double    1.226  0.020  1.226
 3JF  CAX  CBE  single    1.526  0.020  1.526
 3JF  CAE  CBG  single    1.529  0.020  1.529
 3JF  CBE  CBG  single    1.558  0.020  1.558
 3JF  CBE  NAT  single    1.443  0.020  1.443
 3JF  CAC  CBG  single    1.530  0.020  1.530
 3JF  CBG  CAD  single    1.529  0.020  1.529
 3JF  NAT  CAV  single    1.347  0.020  1.347
 3JF  CAV  OAF  double    1.223  0.020  1.223
 3JF  CAV  CAA  single    1.508  0.020  1.508
 3JF  CAA  H1   single    0.970  0.020  1.090
 3JF  CAA  H2   single    0.970  0.020  1.090
 3JF  CAA  H3   single    0.970  0.020  1.090
 3JF  NAT  H4   single    0.860  0.020  1.020
 3JF  CBE  H5   single    0.970  0.020  1.090
 3JF  CAD  H6   single    0.970  0.020  1.090
 3JF  CAD  H7   single    0.970  0.020  1.090
 3JF  CAD  H8   single    0.970  0.020  1.090
 3JF  CAE  H9   single    0.970  0.020  1.090
 3JF  CAE  H10  single    0.970  0.020  1.090
 3JF  CAE  H11  single    0.970  0.020  1.090
 3JF  CAC  H12  single    0.970  0.020  1.090
 3JF  CAC  H13  single    0.970  0.020  1.090
 3JF  CAC  H14  single    0.970  0.020  1.090
 3JF  CD2  H15  single    0.970  0.020  1.090
 3JF  CD2  H16  single    0.970  0.020  1.090
 3JF  CG   H17  single    0.970  0.020  1.090
 3JF  OD1  H18  single    0.850  0.020  0.980
 3JF  CB   H19  single    0.970  0.020  1.090
 3JF  CB   H20  single    0.970  0.020  1.090
 3JF  CA   H21  single    0.970  0.020  1.090
 3JF  NAS  H22  single    0.860  0.020  1.020
 3JF  CAO  H23  single    0.970  0.020  1.090
 3JF  CAO  H24  single    0.970  0.020  1.090
 3JF  CAK  H25  single    0.930  0.020  1.080
 3JF  CAM  H26  single    0.930  0.020  1.080
 3JF  CAJ  H27  single    0.930  0.020  1.080
 3JF  CAL  H28  single    0.930  0.020  1.080
 3JF  CAN  H29  single    0.930  0.020  1.080
 3JF  CAB  H30  single    0.970  0.020  1.090
 3JF  CAB  H31  single    0.970  0.020  1.090
 3JF  CAB  H32  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
 3JF  H3   CAA  H2   107.96  3.000
 3JF  H3   CAA  H1   107.57  3.000
 3JF  H2   CAA  H1   108.89  3.000
 3JF  H3   CAA  CAV  109.11  3.000
 3JF  H2   CAA  CAV  113.24  3.000
 3JF  H1   CAA  CAV  109.90  3.000
 3JF  NAT  CAV  OAF  123.33  3.000
 3JF  OAF  CAV  CAA  121.97  3.000
 3JF  NAT  CAV  CAA  114.68  3.000
 3JF  H4   NAT  CBE  117.40  3.000
 3JF  H4   NAT  CAV  118.39  3.000
 3JF  CBE  NAT  CAV  124.16  3.000
 3JF  H5   CBE  CAX  110.70  3.000
 3JF  H5   CBE  CBG  106.93  3.000
 3JF  CAX  CBE  CBG  112.64  3.000
 3JF  H5   CBE  NAT  106.61  3.000
 3JF  CBG  CBE  NAT  112.47  3.000
 3JF  CAX  CBE  NAT  107.35  3.000
 3JF  CAC  CBG  CAE  108.85  3.000
 3JF  CAC  CBG  CAD  108.87  3.000
 3JF  CAE  CBG  CAD  109.18  3.000
 3JF  CAD  CBG  CBE  112.26  3.000
 3JF  CAC  CBG  CBE  108.09  3.000
 3JF  CAE  CBG  CBE  109.52  3.000
 3JF  H8   CAD  H7   107.03  3.000
 3JF  H8   CAD  H6   108.23  3.000
 3JF  H7   CAD  H6   107.59  3.000
 3JF  H8   CAD  CBG  112.18  3.000
 3JF  H7   CAD  CBG  109.27  3.000
 3JF  H6   CAD  CBG  112.31  3.000
 3JF  H11  CAE  H10  107.24  3.000
 3JF  H11  CAE  H9   108.35  3.000
 3JF  H10  CAE  H9   107.39  3.000
 3JF  H11  CAE  CBG  112.13  3.000
 3JF  H10  CAE  CBG  109.98  3.000
 3JF  H9   CAE  CBG  111.55  3.000
 3JF  H14  CAC  H13  107.80  3.000
 3JF  H14  CAC  H12  108.15  3.000
 3JF  H13  CAC  H12  107.25  3.000
 3JF  H14  CAC  CBG  111.84  3.000
 3JF  H13  CAC  CBG  109.84  3.000
 3JF  H12  CAC  CBG  111.78  3.000
 3JF  N    CAX  OAH  120.84  3.000
 3JF  OAH  CAX  CBE  120.20  3.000
 3JF  N    CAX  CBE  118.96  3.000
 3JF  CA   N    CD2  112.09  3.000
 3JF  CD2  N    CAX  128.74  3.000
 3JF  CA   N    CAX  119.02  3.000
 3JF  H16  CD2  H15  108.17  3.000
 3JF  H16  CD2  CG   109.93  3.000
 3JF  H15  CD2  CG   112.09  3.000
 3JF  H16  CD2  N    111.52  3.000
 3JF  H15  CD2  N    112.15  3.000
 3JF  CG   CD2  N    102.95  3.000
 3JF  H17  CG   CB   112.28  3.000
 3JF  H17  CG   OD1  111.69  3.000
 3JF  CB   CG   OD1  107.75  3.000
 3JF  H17  CG   CD2  110.69  3.000
 3JF  OD1  CG   CD2  112.24  3.000
 3JF  CB   CG   CD2  101.77  3.000
 3JF  H18  OD1  CG   108.63  3.000
 3JF  H20  CB   H19  108.19  3.000
 3JF  H20  CB   CA   110.47  3.000
 3JF  H19  CB   CA   112.54  3.000
 3JF  H20  CB   CG   108.96  3.000
 3JF  H19  CB   CG   113.25  3.000
 3JF  CA   CB   CG   103.35  3.000
 3JF  H21  CA   C    110.32  3.000
 3JF  H21  CA   CB   110.65  3.000
 3JF  C    CA   CB   110.64  3.000
 3JF  H21  CA   N    110.38  3.000
 3JF  C    CA   N    111.36  3.000
 3JF  CB   CA   N    103.31  3.000
 3JF  NAS  C    O    123.96  3.000
 3JF  O    C    CA   121.68  3.000
 3JF  NAS  C    CA   114.26  3.000
 3JF  H22  NAS  CAO  117.25  3.000
 3JF  H22  NAS  C    118.71  3.000
 3JF  CAO  NAS  C    123.97  3.000
 3JF  H24  CAO  H23  107.01  3.000
 3JF  H24  CAO  CAY  109.79  3.000
 3JF  H23  CAO  CAY  110.42  3.000
 3JF  H24  CAO  NAS  108.10  3.000
 3JF  H23  CAO  NAS  108.30  3.000
 3JF  CAY  CAO  NAS  113.01  3.000
 3JF  CAJ  CAY  CAK  118.42  3.000
 3JF  CAK  CAY  CAO  120.84  3.000
 3JF  CAJ  CAY  CAO  120.74  3.000
 3JF  H25  CAK  CAM  119.24  3.000
 3JF  H25  CAK  CAY  119.99  3.000
 3JF  CAM  CAK  CAY  120.77  3.000
 3JF  H26  CAM  CBA  119.91  3.000
 3JF  H26  CAM  CAK  119.22  3.000
 3JF  CBA  CAM  CAK  120.87  3.000
 3JF  H27  CAJ  CAL  119.19  3.000
 3JF  H27  CAJ  CAY  119.74  3.000
 3JF  CAL  CAJ  CAY  121.06  3.000
 3JF  H28  CAL  CBA  120.13  3.000
 3JF  H28  CAL  CAJ  119.28  3.000
 3JF  CBA  CAL  CAJ  120.57  3.000
 3JF  CBB  CBA  CAL  120.96  3.000
 3JF  CAL  CBA  CAM  118.31  3.000
 3JF  CBB  CBA  CAM  120.73  3.000
 3JF  CAZ  CBB  SAU  109.27  3.000
 3JF  SAU  CBB  CBA  120.85  3.000
 3JF  CAZ  CBB  CBA  129.88  3.000
 3JF  CAN  SAU  CBB   89.47  3.000
 3JF  H29  CAN  NAR  124.13  3.000
 3JF  H29  CAN  SAU  121.06  3.000
 3JF  NAR  CAN  SAU  114.81  3.000
 3JF  CAZ  NAR  CAN  111.74  3.000
 3JF  CAB  CAZ  NAR  118.97  3.000
 3JF  CAB  CAZ  CBB  126.32  3.000
 3JF  NAR  CAZ  CBB  114.70  3.000
 3JF  H32  CAB  H31  108.28  3.000
 3JF  H32  CAB  H30  107.31  3.000
 3JF  H31  CAB  H30  107.68  3.000
 3JF  H32  CAB  CAZ  110.19  3.000
 3JF  H31  CAB  CAZ  111.78  3.000
 3JF  H30  CAB  CAZ  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
 3JF  CONST_01  CBA  CAL  CAJ  CAY     0.00   0.0  0
 3JF  CONST_02  CBA  CAM  CAK  CAY     0.00   0.0  0
 3JF  CONST_03  CBB  CBA  CAM  CAK   180.00   0.0  0
 3JF  CONST_04  CAL  CBA  CAM  CAK     0.00   0.0  0
 3JF  CONST_05  CAL  CAJ  CAY  CAK     0.00   0.0  0
 3JF  CONST_08  CAJ  CAL  CBA  CAM     0.00   0.0  0
 3JF  CONST_09  CAJ  CAY  CAK  CAM     0.00   0.0  0
 3JF  CONST_10  CBB  CBA  CAL  CAJ   180.00   0.0  0
 3JF  CONST_13  NAR  CAZ  CBB  CBA   180.00   0.0  0
 3JF  CONST_14  CAN  SAU  CBB  CBA   180.00   0.0  0
 3JF  CONST_15  CAN  NAR  CAZ  CBB     0.00   0.0  0
 3JF  CONST_16  NAR  CAN  SAU  CBB     0.00   0.0  0
 3JF  CONST_17  CAZ  NAR  CAN  SAU     0.00   0.0  0
 3JF  CONST_18  NAR  CAZ  CBB  SAU     0.00   0.0  0
 3JF  CONST_19  CAZ  CBB  SAU  CAN     0.00   0.0  0
 3JF  CONST_20  CAL  CAJ  CAY  CAO   180.00   0.0  0
 3JF  CONST_21  CAM  CAK  CAY  CAO   180.00   0.0  0
 3JF  CONST_22  CAB  CAZ  CBB  CBA     0.00   0.0  0
 3JF  CONST_23  CAB  CAZ  CBB  SAU   180.00   0.0  0
 3JF  CONST_24  CAB  CAZ  NAR  CAN   180.00   0.0  0
 3JF  CONST_25  H28  CAL  CAJ  CAY   180.00   0.0  0
 3JF  CONST_26  H26  CAM  CAK  CAY   180.00   0.0  0
 3JF  CONST_27  H27  CAJ  CAY  CAK   180.00   0.0  0
 3JF  CONST_28  H25  CAK  CAY  CAJ   180.00   0.0  0
 3JF  CONST_29  H29  CAN  SAU  CBB   180.00   0.0  0
 3JF  CONST_30  CA   N    CAX  CBE   180.00   0.0  0
 3JF  CONST_31  CD2  N    CAX  CBE     0.00   0.0  0
 3JF  CONST_32  CA   N    CAX  OAH     0.00   0.0  0
 3JF  CONST_33  CD2  N    CAX  OAH   180.00   0.0  0
 3JF  CONST_34  CAO  NAS  C    CA    180.00   0.0  0
 3JF  CONST_35  H22  NAS  C    CA      0.00   0.0  0
 3JF  CONST_36  CBE  NAT  CAV  CAA   180.00   0.0  0
 3JF  CONST_37  CBE  NAT  CAV  OAF     0.00   0.0  0
 3JF  CONST_38  CAO  NAS  C    O       0.00   0.0  0
 3JF  CONST_39  H4   NAT  CAV  CAA     0.00   0.0  0
 3JF  Var_01    CA   N    CD2  CG     19.27  30.0  1
 3JF  Var_02    CAJ  CAY  CAO  NAS  -113.98  30.0  2
 3JF  Var_03    H30  CAB  CAZ  CBB   -98.84  30.0  2
 3JF  Var_04    CAY  CAO  NAS  C     -97.20  30.0  1
 3JF  Var_05    H1   CAA  CAV  OAF    39.29  30.0  3
 3JF  Var_06    H9   CAE  CBG  CBE    59.67  30.0  3
 3JF  Var_07    H12  CAC  CBG  CBE    66.59  30.0  3
 3JF  Var_08    H6   CAD  CBG  CBE    66.27  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
 3JF  chir_01  CBE  CAX  CBG  NAT  positiv
 3JF  chir_02  CG   OD1  CB   CD2  positiv
 3JF  chir_03  CA   N    C    CB   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
 3JF  plan-1  CBA  0.020
 3JF  plan-1  CBB  0.020
 3JF  plan-1  SAU  0.020
 3JF  plan-1  CAN  0.020
 3JF  plan-1  NAR  0.020
 3JF  plan-1  CAZ  0.020
 3JF  plan-1  CAB  0.020
 3JF  plan-1  H29  0.020
 3JF  plan-2  CAO  0.020
 3JF  plan-2  CAY  0.020
 3JF  plan-2  CAK  0.020
 3JF  plan-2  CAM  0.020
 3JF  plan-2  CAJ  0.020
 3JF  plan-2  CAL  0.020
 3JF  plan-2  CBA  0.020
 3JF  plan-2  CBB  0.020
 3JF  plan-2  H25  0.020
 3JF  plan-2  H26  0.020
 3JF  plan-2  H27  0.020
 3JF  plan-2  H28  0.020
 3JF  plan-3  CBE  0.020
 3JF  plan-3  CAX  0.020
 3JF  plan-3  OAH  0.020
 3JF  plan-3  N    0.020
 3JF  plan-3  CD2  0.020
 3JF  plan-3  CA   0.020
 3JF  plan-4  CA   0.020
 3JF  plan-4  C    0.020
 3JF  plan-4  O    0.020
 3JF  plan-4  NAS  0.020
 3JF  plan-4  CAO  0.020
 3JF  plan-4  H22  0.020
 3JF  plan-5  CAA  0.020
 3JF  plan-5  CAV  0.020
 3JF  plan-5  OAF  0.020
 3JF  plan-5  NAT  0.020
 3JF  plan-5  CBE  0.020
 3JF  plan-5  H4   0.020

