# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Mon Jun 29 02:20:14 2020
#   Inital geometry file: a 167 line input string
#   Ligand name: (3~{S},6~{S},7~{R},9~{a}~{S})-6-[[(2~{S})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{N}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCC(=O)NC[C@H]1CC[C@H]2C=C[C@H](N2C(=O)[C@H]1NC(=O)[C@H](C)NC)C(=O)NCc3ccccc3
#
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
 C3K  C3K  (3~{S},6~{S},7~{R},9~{a}~{S})-6-[[(2~{S})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{N}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide  ligand  69  34  .  2021-08-07  2021-08-07  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_C3K
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
 C3K  CAB  C  CH3   0  -0.528   0.7883   5.6662  -1.6048
 C3K  N    N  NH1   0  -0.599   0.5214   4.2814  -1.9341
 C3K  CA   C  CH1   0  -0.197   0.8785   3.3652  -0.8720
 C3K  CB   C  CH3   0  -0.660  -0.2122   3.3350   0.2012
 C3K  C    C  C     0   0.554   1.0997   1.9703  -1.4548
 C3K  O    O  O     0  -0.477   1.0037   1.7364  -2.6471
 C3K  NAW  N  NH1   0  -0.638   1.4454   1.0365  -0.5428
 C3K  CBG  C  CH1   0  -0.217   1.5213  -0.3810  -0.8251
 C3K  CBA  C  C     0   0.600   0.1511  -0.9809  -0.4842
 C3K  OAG  O  O     0  -0.490  -0.7896  -0.6968  -1.2138
 C3K  NBH  N  NR5   0  -0.501  -0.0433  -1.7465   0.6030
 C3K  CBD  C  CH1   0  -0.274   2.7797  -1.0126  -0.2316
 C3K  CAS  C  CH2   0  -0.265   3.9853  -0.5527  -1.0613
 C3K  NAV  N  NH1   0  -0.637   5.2233  -1.1773  -0.6680
 C3K  CAX  C  C     0   0.553   6.2059  -0.5698   0.0257
 C3K  OAD  O  O     0  -0.500   6.1458   0.5953   0.3906
 C3K  CAH  C  CH2   0  -0.580   7.4036  -1.4562   0.3104
 C3K  CAA  C  CH3   0  -0.657   8.5150  -0.7533   1.0679
 C3K  CAN  C  CH2   0  -0.452   2.9947  -0.7304   1.2553
 C3K  CAO  C  CH2   0  -0.463   1.7692  -0.9769   2.1371
 C3K  CBE  C  CR15  0  -0.095   0.9171  -2.1409   1.6413
 C3K  CAP  C  CR15  0  -0.219   0.0113  -2.7236   2.6785
 C3K  CAQ  C  CR15  0  -0.228  -1.2598  -2.6864   2.3133
 C3K  CBF  C  CR15  0  -0.230  -1.4197  -2.0240   0.9802
 C3K  CAZ  C  C     0   0.578  -2.2041  -0.7148   1.1504
 C3K  OAF  O  O     0  -0.475  -1.7064   0.2499   1.7040
 C3K  NAU  N  NH1   0  -0.632  -3.4738  -0.7585   0.7305
 C3K  CAR  C  CH2   0  -0.314  -4.3574   0.3883   0.8288
 C3K  CBB  C  CR6   0   0.053  -5.7446   0.0111   0.3890
 C3K  CAL  C  CR16  0  -0.280  -6.5288  -0.8309   1.1757
 C3K  CAJ  C  CR16  0  -0.242  -7.8012  -1.1979   0.7632
 C3K  CAI  C  CR16  0  -0.264  -8.3071  -0.7250  -0.4424
 C3K  CAK  C  CR16  0  -0.240  -7.5332   0.1138  -1.2314
 C3K  CAM  C  CR16  0  -0.300  -6.2571   0.4762  -0.8171
 C3K  H1   H  HCH3  0   0.223   0.1268   6.0118  -0.8090
 C3K  H2   H  HCH3  0   0.197   1.8203   5.8537  -1.2757
 C3K  H3   H  HCH3  0   0.237   0.5935   6.2899  -2.4767
 C3K  H4   H  HNH1  0   0.350   1.0306   4.0357  -2.7720
 C3K  H6   H  HCH1  0   0.238   1.8277   3.6573  -0.3874
 C3K  H7   H  HCH3  0   0.244  -0.4429   4.3472   0.5320
 C3K  H8   H  HCH3  0   0.236  -1.1267   2.8803  -0.1789
 C3K  H9   H  HCH3  0   0.227   0.0940   2.7802   1.0873
 C3K  H10  H  HNH1  0   0.404   1.4618   1.3157   0.4255
 C3K  H11  H  HCH1  0   0.292   1.5888  -0.4821  -1.9104
 C3K  H12  H  HCH1  0   0.258   2.6803  -2.0942  -0.3792
 C3K  H13  H  HCH2  0   0.256   3.8051  -0.7769  -2.1153
 C3K  H14  H  HCH2  0   0.248   4.1031   0.5277  -0.9777
 C3K  H15  H  HNH1  0   0.398   5.3527  -2.1433  -0.9236
 C3K  H16  H  HCH2  0   0.264   7.0599  -2.3332   0.8667
 C3K  H17  H  HCH2  0   0.264   7.7794  -1.8440  -0.6408
 C3K  H18  H  HCH3  0   0.227   8.8821   0.1169   0.5251
 C3K  H19  H  HCH3  0   0.227   8.1848  -0.4200   2.0510
 C3K  H20  H  HCH3  0   0.232   9.3548  -1.4321   1.2129
 C3K  H21  H  HCH2  0   0.253   3.8054  -1.3751   1.5992
 C3K  H22  H  HCH2  0   0.240   3.3521   0.2934   1.3960
 C3K  H23  H  HCH2  0   0.262   2.1072  -1.1880   3.1535
 C3K  H24  H  HCH2  0   0.240   1.1222  -0.0992   2.2123
 C3K  H25  H  HCR5  0   0.270   1.5756  -2.9331   1.2645
 C3K  H26  H  HCR5  0   0.271   0.4021  -3.1394   3.5967
 C3K  H27  H  HCR5  0   0.277  -2.1041  -3.0577   2.8766
 C3K  H28  H  HCR5  0   0.289  -1.9171  -2.6766   0.2543
 C3K  H29  H  HNH1  0   0.403  -3.7746  -1.5387   0.1683
 C3K  H30  H  HCH2  0   0.257  -4.3704   0.7405   1.8625
 C3K  H31  H  HCH2  0   0.253  -3.9803   1.2131   0.2175
 C3K  H32  H  HCR6  0   0.255  -6.1432  -1.1990   2.1192
 C3K  H33  H  HCR6  0   0.258  -8.4007  -1.8516   1.3833
 C3K  H34  H  HCR6  0   0.258  -9.3013  -1.0093  -0.7618
 C3K  H35  H  HCR6  0   0.258  -7.9197   0.4872  -2.1708
 C3K  H36  H  HCR6  0   0.255  -5.6547   1.1288  -1.4376

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
 C3K  CAI  CAJ  aromatic  1.390  0.020  1.390
 C3K  CAI  CAK  aromatic  1.387  0.020  1.387
 C3K  CAJ  CAL  aromatic  1.387  0.020  1.387
 C3K  CAK  CAM  aromatic  1.390  0.020  1.390
 C3K  CAL  CBB  aromatic  1.394  0.020  1.394
 C3K  CAM  CBB  aromatic  1.391  0.020  1.391
 C3K  CBB  CAR  single    1.503  0.020  1.503
 C3K  CAR  NAU  single    1.451  0.020  1.451
 C3K  NAU  CAZ  single    1.338  0.020  1.338
 C3K  CB   CA   single    1.530  0.020  1.530
 C3K  OAG  CBA  double    1.224  0.020  1.224
 C3K  CAZ  OAF  double    1.219  0.020  1.219
 C3K  CAZ  CBF  single    1.536  0.020  1.536
 C3K  CA   N    single    1.447  0.020  1.447
 C3K  CA   C    single    1.528  0.020  1.528
 C3K  CBF  NBH  single    1.454  0.020  1.454
 C3K  CBF  CAQ  single    1.497  0.020  1.497
 C3K  CBA  NBH  single    1.344  0.020  1.344
 C3K  CBA  CBG  single    1.534  0.020  1.534
 C3K  NAW  C    single    1.350  0.020  1.350
 C3K  NAW  CBG  single    1.447  0.020  1.447
 C3K  N    CAB  single    1.448  0.020  1.448
 C3K  C    O    double    1.219  0.020  1.219
 C3K  NBH  CBE  single    1.468  0.020  1.468
 C3K  CAQ  CAP  double    1.323  0.020  1.323
 C3K  CBG  CBD  single    1.528  0.020  1.528
 C3K  CBE  CAP  single    1.495  0.020  1.495
 C3K  CBE  CAO  single    1.525  0.020  1.525
 C3K  CBD  CAN  single    1.529  0.020  1.529
 C3K  CBD  CAS  single    1.534  0.020  1.534
 C3K  CAN  CAO  single    1.530  0.020  1.530
 C3K  CAS  NAV  single    1.441  0.020  1.441
 C3K  OAD  CAX  double    1.222  0.020  1.222
 C3K  NAV  CAX  single    1.348  0.020  1.348
 C3K  CAX  CAH  single    1.517  0.020  1.517
 C3K  CAA  CAH  single    1.518  0.020  1.518
 C3K  CAB  H1   single    0.970  0.020  1.090
 C3K  CAB  H2   single    0.970  0.020  1.090
 C3K  CAB  H3   single    0.970  0.020  1.090
 C3K  N    H4   single    0.890  0.020  1.040
 C3K  CA   H6   single    0.970  0.020  1.090
 C3K  CB   H7   single    0.970  0.020  1.090
 C3K  CB   H8   single    0.970  0.020  1.090
 C3K  CB   H9   single    0.970  0.020  1.090
 C3K  NAW  H10  single    0.860  0.020  1.020
 C3K  CBG  H11  single    0.970  0.020  1.090
 C3K  CBD  H12  single    0.970  0.020  1.090
 C3K  CAS  H13  single    0.970  0.020  1.090
 C3K  CAS  H14  single    0.970  0.020  1.090
 C3K  NAV  H15  single    0.860  0.020  1.020
 C3K  CAH  H16  single    0.970  0.020  1.090
 C3K  CAH  H17  single    0.970  0.020  1.090
 C3K  CAA  H18  single    0.970  0.020  1.090
 C3K  CAA  H19  single    0.970  0.020  1.090
 C3K  CAA  H20  single    0.970  0.020  1.090
 C3K  CAN  H21  single    0.970  0.020  1.090
 C3K  CAN  H22  single    0.970  0.020  1.090
 C3K  CAO  H23  single    0.970  0.020  1.090
 C3K  CAO  H24  single    0.970  0.020  1.090
 C3K  CBE  H25  single    0.970  0.020  1.090
 C3K  CAP  H26  single    0.930  0.020  1.080
 C3K  CAQ  H27  single    0.930  0.020  1.080
 C3K  CBF  H28  single    0.970  0.020  1.090
 C3K  NAU  H29  single    0.860  0.020  1.020
 C3K  CAR  H30  single    0.970  0.020  1.090
 C3K  CAR  H31  single    0.970  0.020  1.090
 C3K  CAL  H32  single    0.930  0.020  1.080
 C3K  CAJ  H33  single    0.930  0.020  1.080
 C3K  CAI  H34  single    0.930  0.020  1.080
 C3K  CAK  H35  single    0.930  0.020  1.080
 C3K  CAM  H36  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
 C3K  H3   CAB  H2   108.04  3.000
 C3K  H3   CAB  H1   107.10  3.000
 C3K  H2   CAB  H1   107.26  3.000
 C3K  H3   CAB  N    109.42  3.000
 C3K  H2   CAB  N    113.84  3.000
 C3K  H1   CAB  N    110.91  3.000
 C3K  H4   N    CA   109.28  3.000
 C3K  H4   N    CAB  109.15  3.000
 C3K  CA   N    CAB  113.14  3.000
 C3K  H6   CA   C    106.51  3.000
 C3K  H6   CA   CB   108.06  3.000
 C3K  C    CA   CB   110.65  3.000
 C3K  H6   CA   N    111.49  3.000
 C3K  C    CA   N    109.49  3.000
 C3K  CB   CA   N    110.56  3.000
 C3K  H9   CB   H8   107.88  3.000
 C3K  H9   CB   H7   106.60  3.000
 C3K  H8   CB   H7   108.41  3.000
 C3K  H9   CB   CA   112.34  3.000
 C3K  H8   CB   CA   111.21  3.000
 C3K  H7   CB   CA   110.21  3.000
 C3K  NAW  C    O    123.24  3.000
 C3K  O    C    CA   122.48  3.000
 C3K  NAW  C    CA   114.26  3.000
 C3K  H10  NAW  CBG  117.25  3.000
 C3K  H10  NAW  C    117.48  3.000
 C3K  CBG  NAW  C    123.99  3.000
 C3K  H11  CBG  CBD  107.27  3.000
 C3K  H11  CBG  CBA  103.88  3.000
 C3K  CBD  CBG  CBA  119.19  3.000
 C3K  H11  CBG  NAW  106.72  3.000
 C3K  CBD  CBG  NAW  111.85  3.000
 C3K  CBA  CBG  NAW  107.02  3.000
 C3K  NBH  CBA  OAG  120.22  3.000
 C3K  NBH  CBA  CBG  122.13  3.000
 C3K  OAG  CBA  CBG  117.59  3.000
 C3K  CBF  NBH  CBE  112.61  3.000
 C3K  CBE  NBH  CBA  129.08  3.000
 C3K  CBF  NBH  CBA  117.11  3.000
 C3K  H12  CBD  CAN  109.02  3.000
 C3K  H12  CBD  CAS  107.11  3.000
 C3K  CAN  CBD  CAS  111.11  3.000
 C3K  H12  CBD  CBG  106.31  3.000
 C3K  CAS  CBD  CBG  108.26  3.000
 C3K  CAN  CBD  CBG  114.67  3.000
 C3K  H14  CAS  H13  107.17  3.000
 C3K  H14  CAS  NAV  108.41  3.000
 C3K  H13  CAS  NAV  108.42  3.000
 C3K  H14  CAS  CBD  109.91  3.000
 C3K  H13  CAS  CBD  109.31  3.000
 C3K  NAV  CAS  CBD  113.42  3.000
 C3K  H15  NAV  CAX  117.98  3.000
 C3K  H15  NAV  CAS  117.17  3.000
 C3K  CAX  NAV  CAS  124.85  3.000
 C3K  CAH  CAX  OAD  122.67  3.000
 C3K  CAH  CAX  NAV  114.13  3.000
 C3K  OAD  CAX  NAV  123.20  3.000
 C3K  H17  CAH  H16  105.42  3.000
 C3K  H17  CAH  CAA  110.29  3.000
 C3K  H16  CAH  CAA  110.34  3.000
 C3K  H17  CAH  CAX  108.38  3.000
 C3K  H16  CAH  CAX  108.41  3.000
 C3K  CAA  CAH  CAX  113.65  3.000
 C3K  H20  CAA  H19  107.70  3.000
 C3K  H20  CAA  H18  107.72  3.000
 C3K  H19  CAA  H18  107.91  3.000
 C3K  H20  CAA  CAH  110.02  3.000
 C3K  H19  CAA  CAH  111.73  3.000
 C3K  H18  CAA  CAH  111.60  3.000
 C3K  H22  CAN  H21  105.65  3.000
 C3K  H22  CAN  CAO  109.79  3.000
 C3K  H21  CAN  CAO  108.56  3.000
 C3K  H22  CAN  CBD  110.12  3.000
 C3K  H21  CAN  CBD  107.57  3.000
 C3K  CAO  CAN  CBD  114.73  3.000
 C3K  H24  CAO  H23  105.93  3.000
 C3K  H24  CAO  CBE  107.72  3.000
 C3K  H23  CAO  CBE  109.15  3.000
 C3K  H24  CAO  CAN  112.62  3.000
 C3K  H23  CAO  CAN  108.65  3.000
 C3K  CBE  CAO  CAN  112.53  3.000
 C3K  H25  CBE  CAP  108.70  3.000
 C3K  H25  CBE  CAO  109.11  3.000
 C3K  CAP  CBE  CAO  114.23  3.000
 C3K  H25  CBE  NBH  110.11  3.000
 C3K  CAO  CBE  NBH  112.97  3.000
 C3K  CAP  CBE  NBH  101.48  3.000
 C3K  H26  CAP  CAQ  126.34  3.000
 C3K  H26  CAP  CBE  121.34  3.000
 C3K  CAQ  CAP  CBE  112.31  3.000
 C3K  H27  CAQ  CBF  122.18  3.000
 C3K  H27  CAQ  CAP  126.66  3.000
 C3K  CBF  CAQ  CAP  111.15  3.000
 C3K  H28  CBF  CAZ  110.45  3.000
 C3K  H28  CBF  CAQ  112.02  3.000
 C3K  CAZ  CBF  CAQ  109.46  3.000
 C3K  H28  CBF  NBH  111.81  3.000
 C3K  CAQ  CBF  NBH  102.38  3.000
 C3K  CAZ  CBF  NBH  110.47  3.000
 C3K  NAU  CAZ  OAF  123.78  3.000
 C3K  OAF  CAZ  CBF  121.11  3.000
 C3K  NAU  CAZ  CBF  114.97  3.000
 C3K  H29  NAU  CAR  117.90  3.000
 C3K  H29  NAU  CAZ  118.92  3.000
 C3K  CAR  NAU  CAZ  122.06  3.000
 C3K  H31  CAR  H30  106.85  3.000
 C3K  H31  CAR  CBB  110.12  3.000
 C3K  H30  CAR  CBB  110.29  3.000
 C3K  H31  CAR  NAU  110.38  3.000
 C3K  H30  CAR  NAU  109.04  3.000
 C3K  CBB  CAR  NAU  110.11  3.000
 C3K  CAM  CBB  CAL  118.96  3.000
 C3K  CAM  CBB  CAR  120.66  3.000
 C3K  CAL  CBB  CAR  120.37  3.000
 C3K  H32  CAL  CAJ  119.70  3.000
 C3K  H32  CAL  CBB  119.76  3.000
 C3K  CAJ  CAL  CBB  120.54  3.000
 C3K  H33  CAJ  CAI  120.05  3.000
 C3K  H33  CAJ  CAL  119.84  3.000
 C3K  CAI  CAJ  CAL  120.11  3.000
 C3K  H34  CAI  CAK  120.22  3.000
 C3K  H34  CAI  CAJ  120.05  3.000
 C3K  CAK  CAI  CAJ  119.72  3.000
 C3K  H35  CAK  CAM  119.78  3.000
 C3K  H35  CAK  CAI  120.20  3.000
 C3K  CAM  CAK  CAI  120.02  3.000
 C3K  H36  CAM  CAK  119.80  3.000
 C3K  H36  CAM  CBB  119.55  3.000
 C3K  CAK  CAM  CBB  120.65  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
 C3K  CONST_01  CAI  CAJ  CAL  CBB     0.00   0.0  0
 C3K  CONST_02  CAI  CAK  CAM  CBB     0.00   0.0  0
 C3K  CONST_03  CAK  CAI  CAJ  CAL     0.00   0.0  0
 C3K  CONST_04  CAK  CAM  CBB  CAL     0.00   0.0  0
 C3K  CONST_05  CAM  CAK  CAI  CAJ     0.00   0.0  0
 C3K  CONST_06  CAM  CBB  CAL  CAJ     0.00   0.0  0
 C3K  CONST_07  CAJ  CAL  CBB  CAR   180.00   0.0  0
 C3K  CONST_08  CAK  CAM  CBB  CAR   180.00   0.0  0
 C3K  CONST_09  H33  CAJ  CAL  CBB   180.00   0.0  0
 C3K  CONST_10  H35  CAK  CAM  CBB   180.00   0.0  0
 C3K  CONST_11  H34  CAI  CAJ  CAL   180.00   0.0  0
 C3K  CONST_12  H36  CAM  CBB  CAL   180.00   0.0  0
 C3K  CONST_13  H32  CAL  CAJ  CAI   180.00   0.0  0
 C3K  CONST_14  CBG  NAW  C    CA    180.00   0.0  0
 C3K  CONST_15  CBG  NAW  C    O       0.00   0.0  0
 C3K  CONST_16  CAR  NAU  CAZ  CBF   180.00   0.0  0
 C3K  CONST_17  H29  NAU  CAZ  CBF     0.00   0.0  0
 C3K  CONST_18  OAD  CAX  NAV  CAS     0.00   0.0  0
 C3K  CONST_19  CAH  CAX  NAV  CAS   180.00   0.0  0
 C3K  CONST_20  CAR  NAU  CAZ  OAF     0.00   0.0  0
 C3K  CONST_21  H10  NAW  C    CA      0.00   0.0  0
 C3K  CONST_22  H15  NAV  CAX  OAD   180.00   0.0  0
 C3K  Var_01    CBF  CAQ  CAP  CBE    -1.97  30.0  1
 C3K  Var_02    CAL  CBB  CAR  NAU    70.50  30.0  3
 C3K  Var_03    CAX  NAV  CAS  CBD  -105.61  30.0  3
 C3K  Var_04    CBB  CAR  NAU  CAZ  -175.27  30.0  1
 C3K  Var_05    CAA  CAH  CAX  NAV   178.85  30.0  3
 C3K  Var_06    H1   CAB  N    CA    -67.74  30.0  3
 C3K  Var_07    H18  CAA  CAH  CAX   -58.75  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
 C3K  chir_01  CA   CB   N    C    positiv
 C3K  chir_02  CBG  NAW  CBA  CBD  positiv
 C3K  chir_03  CBD  CBG  CAN  CAS  positiv
 C3K  chir_04  CBE  NBH  CAP  CAO  positiv
 C3K  chir_05  CBF  NBH  CAQ  CAZ  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
 C3K  plan-1  CAR  0.020
 C3K  plan-1  CBB  0.020
 C3K  plan-1  CAL  0.020
 C3K  plan-1  CAJ  0.020
 C3K  plan-1  CAI  0.020
 C3K  plan-1  CAK  0.020
 C3K  plan-1  CAM  0.020
 C3K  plan-1  H32  0.020
 C3K  plan-1  H33  0.020
 C3K  plan-1  H34  0.020
 C3K  plan-1  H35  0.020
 C3K  plan-1  H36  0.020
 C3K  plan-2  CA   0.020
 C3K  plan-2  C    0.020
 C3K  plan-2  O    0.020
 C3K  plan-2  NAW  0.020
 C3K  plan-2  CBG  0.020
 C3K  plan-2  H10  0.020
 C3K  plan-3  CBG  0.020
 C3K  plan-3  CBA  0.020
 C3K  plan-3  OAG  0.020
 C3K  plan-3  NBH  0.020
 C3K  plan-3  CBE  0.020
 C3K  plan-3  CBF  0.020
 C3K  plan-4  CAS  0.020
 C3K  plan-4  NAV  0.020
 C3K  plan-4  CAX  0.020
 C3K  plan-4  OAD  0.020
 C3K  plan-4  CAH  0.020
 C3K  plan-4  H15  0.020
 C3K  plan-5  CBF  0.020
 C3K  plan-5  CAZ  0.020
 C3K  plan-5  OAF  0.020
 C3K  plan-5  NAU  0.020
 C3K  plan-5  CAR  0.020
 C3K  plan-5  H29  0.020

