# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 14 16:36:10 2020
#   Inital geometry file: a 153 line input string
#   Ligand name: 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CSCC[C@H](NC(=O)NCc1ccc(N)cc1)C(=O)N2CCC[C@@H]2c3ccccc3SC
#
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
 7I6  7I6  1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea  ligand  64  32  .  2021-08-05  2021-08-05  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_7I6
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
 7I6  CAB  C  CH3   0  -0.793   7.2816   1.8836  -1.9521
 7I6  SAW  S  S2    0   0.021   6.0161   0.7165  -1.4228
 7I6  CBB  C  CR6   0  -0.171   5.2886   1.4859  -0.0067
 7I6  CAH  C  CR16  0  -0.253   5.7695   2.6824   0.5226
 7I6  CAF  C  CR16  0  -0.256   5.1858   3.2392   1.6507
 7I6  CAG  C  CR16  0  -0.257   4.1192   2.6029   2.2664
 7I6  CAI  C  CR16  0  -0.301   3.6396   1.4133   1.7383
 7I6  CBC  C  CR6   0   0.170   4.1997   0.8440   0.6019
 7I6  CBE  C  CH1   0  -0.117   3.7011  -0.4842   0.0865
 7I6  CAQ  C  CH2   0  -0.463   4.4240  -1.6668   0.7530
 7I6  CAN  C  CH2   0  -0.470   3.3740  -2.7676   0.7830
 7I6  CAS  C  CH2   0  -0.290   2.1000  -2.0008   1.1017
 7I6  NBF  N  NT    0  -0.492   2.2931  -0.7406   0.3846
 7I6  C    C  C     0   0.575   1.3339   0.0343  -0.1460
 7I6  O    O  O     0  -0.488   1.5885   0.9967  -0.8567
 7I6  CA   C  CH1   0  -0.224  -0.1158  -0.3452   0.1484
 7I6  CB   C  CH2   0  -0.420  -0.6186  -1.2769  -0.9672
 7I6  CG   C  CH2   0  -0.551  -2.0359  -1.7669  -0.7119
 7I6  SD   S  S2    0  -0.041  -2.5221  -2.9164  -2.0297
 7I6  CE   C  CH3   0  -0.767  -4.2120  -3.2815  -1.5098
 7I6  N    N  NH1   0  -0.669  -0.9023   0.8529   0.2494
 7I6  CAX  C  C     0   0.738  -1.8627   1.0171   1.1980
 7I6  OAD  O  O     0  -0.532  -2.0269   0.2289   2.1214
 7I6  NAT  N  NH1   0  -0.660  -2.6073   2.1547   1.0637
 7I6  CAP  C  CH2   0  -0.394  -3.9313   2.2156   1.6645
 7I6  CBA  C  CR6   0   0.083  -4.9325   1.3414   0.9539
 7I6  CAL  C  CR16  0  -0.293  -5.5259   1.7646  -0.2334
 7I6  CAJ  C  CR16  0  -0.316  -6.3865   0.9481  -0.9467
 7I6  CAZ  C  CR6   0   0.287  -6.6871  -0.3407  -0.4904
 7I6  NAC  N  NH2   0  -0.861  -7.5795  -1.1432  -1.1744
 7I6  CAK  C  CR16  0  -0.307  -6.1009  -0.7671   0.7057
 7I6  CAM  C  CR16  0  -0.271  -5.2401   0.0617   1.4069
 7I6  H1   H  HCH3  0   0.296   7.7203   1.4494  -2.8485
 7I6  H2   H  HCH3  0   0.276   6.8586   2.8533  -2.2070
 7I6  H3   H  HCH3  0   0.275   8.0643   2.0024  -1.2054
 7I6  H4   H  HCR6  0   0.264   6.6025   3.1955   0.0633
 7I6  H5   H  HCR6  0   0.257   5.5719   4.1705   2.0442
 7I6  H6   H  HCR6  0   0.254   3.6610   3.0272   3.1500
 7I6  H7   H  HCR6  0   0.247   2.8052   0.9195   2.2218
 7I6  H8   H  HCH1  0   0.265   3.8345  -0.5320  -0.9997
 7I6  H9   H  HCH2  0   0.262   5.3307  -1.9400   0.2153
 7I6  H10  H  HCH2  0   0.246   4.7109  -1.3950   1.7713
 7I6  H11  H  HCH2  0   0.245   3.2869  -3.2467  -0.1943
 7I6  H12  H  HCH2  0   0.259   3.5844  -3.5403   1.5211
 7I6  H13  H  HCH2  0   0.261   1.2093  -2.5270   0.7644
 7I6  H14  H  HCH2  0   0.252   2.0034  -1.8260   2.1772
 7I6  H15  H  HCH1  0   0.282  -0.1899  -0.8607   1.1061
 7I6  H16  H  HCH2  0   0.253  -0.5693  -0.7484  -1.9231
 7I6  H17  H  HCH2  0   0.248   0.0553  -2.1348  -1.0469
 7I6  H18  H  HCH2  0   0.261  -2.0958  -2.2780   0.2512
 7I6  H19  H  HCH2  0   0.267  -2.7439  -0.9366  -0.6940
 7I6  H20  H  HCH3  0   0.260  -4.2297  -3.6934  -0.5015
 7I6  H21  H  HCH3  0   0.261  -4.8393  -2.3919  -1.5452
 7I6  H22  H  HCH3  0   0.274  -4.6163  -4.0237  -2.1957
 7I6  H23  H  HNH1  0   0.390  -0.8456   1.4986  -0.5224
 7I6  H24  H  HNH1  0   0.384  -2.5256   2.6503   0.1888
 7I6  H25  H  HCH2  0   0.255  -3.8559   1.9417   2.7157
 7I6  H26  H  HCH2  0   0.259  -4.2449   3.2596   1.6325
 7I6  H27  H  HCR6  0   0.243  -5.3135   2.7580  -0.6145
 7I6  H28  H  HCR6  0   0.251  -6.8335   1.3075  -1.8664
 7I6  H29  H  HNH2  0   0.377  -7.6548  -0.9639  -2.1630
 7I6  H30  H  HNH2  0   0.376  -7.5139  -2.1299  -0.9822
 7I6  H31  H  HCR6  0   0.248  -6.3166  -1.7603   1.0830
 7I6  H32  H  HCR6  0   0.240  -4.7918  -0.3018   2.3230

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
 7I6  CAB  SAW  single    1.801  0.020  1.801
 7I6  SAW  CBB  single    1.768  0.020  1.768
 7I6  CAH  CBB  aromatic  1.394  0.020  1.394
 7I6  CAH  CAF  aromatic  1.387  0.020  1.387
 7I6  CBB  CBC  aromatic  1.403  0.020  1.403
 7I6  CAF  CAG  aromatic  1.386  0.020  1.386
 7I6  SD   CG   single    1.815  0.020  1.815
 7I6  SD   CE   single    1.805  0.020  1.805
 7I6  CBC  CBE  single    1.509  0.020  1.509
 7I6  CBC  CAI  aromatic  1.389  0.020  1.389
 7I6  CBE  CAQ  single    1.538  0.020  1.538
 7I6  CBE  NBF  single    1.462  0.020  1.462
 7I6  OAD  CAX  double    1.225  0.020  1.225
 7I6  CAQ  CAN  single    1.522  0.020  1.522
 7I6  CAG  CAI  aromatic  1.387  0.020  1.387
 7I6  CG   CB   single    1.521  0.020  1.521
 7I6  CAX  N    single    1.360  0.020  1.360
 7I6  CAX  NAT  single    1.366  0.020  1.366
 7I6  CA   CB   single    1.538  0.020  1.538
 7I6  CA   N    single    1.437  0.020  1.437
 7I6  CA   C    single    1.527  0.020  1.527
 7I6  NAT  CAP  single    1.455  0.020  1.455
 7I6  CAP  CBA  single    1.507  0.020  1.507
 7I6  NBF  C    single    1.342  0.020  1.342
 7I6  NBF  CAS  single    1.463  0.020  1.463
 7I6  CAN  CAS  single    1.521  0.020  1.521
 7I6  C    O    double    1.223  0.020  1.223
 7I6  CBA  CAM  aromatic  1.392  0.020  1.392
 7I6  CBA  CAL  aromatic  1.393  0.020  1.393
 7I6  CAM  CAK  aromatic  1.385  0.020  1.385
 7I6  CAL  CAJ  aromatic  1.384  0.020  1.384
 7I6  CAK  CAZ  aromatic  1.399  0.020  1.399
 7I6  CAJ  CAZ  aromatic  1.400  0.020  1.400
 7I6  CAZ  NAC  single    1.381  0.020  1.381
 7I6  CAB  H1   single    0.970  0.020  1.090
 7I6  CAB  H2   single    0.970  0.020  1.090
 7I6  CAB  H3   single    0.970  0.020  1.090
 7I6  CAH  H4   single    0.930  0.020  1.080
 7I6  CAF  H5   single    0.930  0.020  1.080
 7I6  CAG  H6   single    0.930  0.020  1.080
 7I6  CAI  H7   single    0.930  0.020  1.080
 7I6  CBE  H8   single    0.970  0.020  1.090
 7I6  CAQ  H9   single    0.970  0.020  1.090
 7I6  CAQ  H10  single    0.970  0.020  1.090
 7I6  CAN  H11  single    0.970  0.020  1.090
 7I6  CAN  H12  single    0.970  0.020  1.090
 7I6  CAS  H13  single    0.970  0.020  1.090
 7I6  CAS  H14  single    0.970  0.020  1.090
 7I6  CA   H15  single    0.970  0.020  1.090
 7I6  CB   H16  single    0.970  0.020  1.090
 7I6  CB   H17  single    0.970  0.020  1.090
 7I6  CG   H18  single    0.970  0.020  1.090
 7I6  CG   H19  single    0.970  0.020  1.090
 7I6  CE   H20  single    0.970  0.020  1.090
 7I6  CE   H21  single    0.970  0.020  1.090
 7I6  CE   H22  single    0.970  0.020  1.090
 7I6  N    H23  single    0.860  0.020  1.020
 7I6  NAT  H24  single    0.890  0.020  1.040
 7I6  CAP  H25  single    0.970  0.020  1.090
 7I6  CAP  H26  single    0.970  0.020  1.090
 7I6  CAL  H27  single    0.930  0.020  1.080
 7I6  CAJ  H28  single    0.930  0.020  1.080
 7I6  NAC  H29  single    0.890  0.020  1.040
 7I6  NAC  H30  single    0.890  0.020  1.040
 7I6  CAK  H31  single    0.930  0.020  1.080
 7I6  CAM  H32  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
 7I6  H3   CAB  H2   110.06  3.000
 7I6  H3   CAB  H1   108.59  3.000
 7I6  H2   CAB  H1   108.62  3.000
 7I6  H3   CAB  SAW  111.99  3.000
 7I6  H2   CAB  SAW  111.91  3.000
 7I6  H1   CAB  SAW  105.48  3.000
 7I6  CBB  SAW  CAB  104.04  3.000
 7I6  CBC  CBB  CAH  119.72  3.000
 7I6  CBC  CBB  SAW  117.89  3.000
 7I6  CAH  CBB  SAW  122.39  3.000
 7I6  H4   CAH  CAF  118.65  3.000
 7I6  H4   CAH  CBB  120.80  3.000
 7I6  CAF  CAH  CBB  120.55  3.000
 7I6  H5   CAF  CAG  120.53  3.000
 7I6  H5   CAF  CAH  119.41  3.000
 7I6  CAG  CAF  CAH  120.06  3.000
 7I6  H6   CAG  CAI  120.05  3.000
 7I6  H6   CAG  CAF  120.57  3.000
 7I6  CAI  CAG  CAF  119.38  3.000
 7I6  H7   CAI  CBC  119.26  3.000
 7I6  H7   CAI  CAG  119.16  3.000
 7I6  CBC  CAI  CAG  121.57  3.000
 7I6  CBE  CBC  CAI  120.45  3.000
 7I6  CAI  CBC  CBB  118.71  3.000
 7I6  CBE  CBC  CBB  120.72  3.000
 7I6  H8   CBE  NBF  108.17  3.000
 7I6  H8   CBE  CAQ  109.81  3.000
 7I6  NBF  CBE  CAQ  103.27  3.000
 7I6  H8   CBE  CBC  109.68  3.000
 7I6  NBF  CBE  CBC  113.76  3.000
 7I6  CAQ  CBE  CBC  111.92  3.000
 7I6  H10  CAQ  H9   107.70  3.000
 7I6  H10  CAQ  CAN  110.05  3.000
 7I6  H9   CAQ  CAN  113.75  3.000
 7I6  H10  CAQ  CBE  109.64  3.000
 7I6  H9   CAQ  CBE  111.74  3.000
 7I6  CAN  CAQ  CBE  103.92  3.000
 7I6  H12  CAN  H11  108.10  3.000
 7I6  H12  CAN  CAS  112.19  3.000
 7I6  H11  CAN  CAS  109.99  3.000
 7I6  H12  CAN  CAQ  113.17  3.000
 7I6  H11  CAN  CAQ  110.78  3.000
 7I6  CAS  CAN  CAQ  102.56  3.000
 7I6  H14  CAS  H13  108.04  3.000
 7I6  H14  CAS  NBF  110.86  3.000
 7I6  H13  CAS  NBF  111.89  3.000
 7I6  H14  CAS  CAN  111.13  3.000
 7I6  H13  CAS  CAN  112.15  3.000
 7I6  NBF  CAS  CAN  102.78  3.000
 7I6  C    NBF  CAS  126.64  3.000
 7I6  CAS  NBF  CBE  112.22  3.000
 7I6  C    NBF  CBE  120.42  3.000
 7I6  CA   C    O    120.34  3.000
 7I6  O    C    NBF  122.35  3.000
 7I6  CA   C    NBF  117.30  3.000
 7I6  H15  CA   N    107.18  3.000
 7I6  H15  CA   CB   109.18  3.000
 7I6  N    CA   CB   112.16  3.000
 7I6  H15  CA   C    110.57  3.000
 7I6  N    CA   C    109.03  3.000
 7I6  CB   CA   C    108.73  3.000
 7I6  H17  CB   H16  106.71  3.000
 7I6  H17  CB   CG   109.49  3.000
 7I6  H16  CB   CG   110.15  3.000
 7I6  H17  CB   CA   109.06  3.000
 7I6  H16  CB   CA   109.06  3.000
 7I6  CG   CB   CA   112.21  3.000
 7I6  H19  CG   H18  107.82  3.000
 7I6  H19  CG   SD   108.66  3.000
 7I6  H18  CG   SD   109.22  3.000
 7I6  H19  CG   CB   111.23  3.000
 7I6  H18  CG   CB   110.48  3.000
 7I6  SD   CG   CB   109.37  3.000
 7I6  CE   SD   CG    99.77  3.000
 7I6  H22  CE   H21  108.82  3.000
 7I6  H22  CE   H20  108.63  3.000
 7I6  H21  CE   H20  109.24  3.000
 7I6  H22  CE   SD   107.70  3.000
 7I6  H21  CE   SD   111.38  3.000
 7I6  H20  CE   SD   111.00  3.000
 7I6  H23  N    CAX  119.77  3.000
 7I6  H23  N    CA   116.72  3.000
 7I6  CAX  N    CA   122.44  3.000
 7I6  NAT  CAX  OAD  122.46  3.000
 7I6  NAT  CAX  N    114.64  3.000
 7I6  OAD  CAX  N    122.87  3.000
 7I6  H24  NAT  CAP  114.28  3.000
 7I6  H24  NAT  CAX  116.75  3.000
 7I6  CAP  NAT  CAX  119.35  3.000
 7I6  H26  CAP  H25  106.80  3.000
 7I6  H26  CAP  CBA  110.51  3.000
 7I6  H25  CAP  CBA  110.81  3.000
 7I6  H26  CAP  NAT  106.83  3.000
 7I6  H25  CAP  NAT  108.97  3.000
 7I6  CBA  CAP  NAT  112.68  3.000
 7I6  CAM  CBA  CAL  117.55  3.000
 7I6  CAL  CBA  CAP  120.57  3.000
 7I6  CAM  CBA  CAP  121.77  3.000
 7I6  H27  CAL  CAJ  118.73  3.000
 7I6  H27  CAL  CBA  119.61  3.000
 7I6  CAJ  CAL  CBA  121.65  3.000
 7I6  H28  CAJ  CAZ  119.56  3.000
 7I6  H28  CAJ  CAL  119.87  3.000
 7I6  CAZ  CAJ  CAL  120.57  3.000
 7I6  CAK  CAZ  NAC  121.14  3.000
 7I6  NAC  CAZ  CAJ  120.81  3.000
 7I6  CAK  CAZ  CAJ  118.00  3.000
 7I6  H30  NAC  H29  111.49  3.000
 7I6  H30  NAC  CAZ  115.63  3.000
 7I6  H29  NAC  CAZ  115.52  3.000
 7I6  H31  CAK  CAM  119.71  3.000
 7I6  H31  CAK  CAZ  119.57  3.000
 7I6  CAM  CAK  CAZ  120.72  3.000
 7I6  H32  CAM  CAK  118.99  3.000
 7I6  H32  CAM  CBA  119.51  3.000
 7I6  CAK  CAM  CBA  121.50  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
 7I6  CONST_01  CAG  CAF  CAH  CBB     0.00   0.0  0
 7I6  CONST_02  CAG  CAI  CBC  CBB     0.00   0.0  0
 7I6  CONST_03  CAI  CBC  CBB  CAH     0.00   0.0  0
 7I6  CONST_04  CAI  CAG  CAF  CAH     0.00   0.0  0
 7I6  CONST_05  CBC  CBB  CAH  CAF     0.00   0.0  0
 7I6  CONST_06  CBC  CAI  CAG  CAF     0.00   0.0  0
 7I6  CONST_07  CAZ  CAK  CAM  CBA     0.00   0.0  0
 7I6  CONST_08  CAZ  CAJ  CAL  CBA     0.00   0.0  0
 7I6  CONST_09  CAK  CAM  CBA  CAL     0.00   0.0  0
 7I6  CONST_10  CAK  CAZ  CAJ  CAL     0.00   0.0  0
 7I6  CONST_11  CAM  CBA  CAL  CAJ     0.00   0.0  0
 7I6  CONST_12  CAM  CAK  CAZ  CAJ     0.00   0.0  0
 7I6  CONST_13  CBE  CBC  CBB  CAH   180.00   0.0  0
 7I6  CONST_14  CBE  CBC  CAI  CAG   180.00   0.0  0
 7I6  CONST_15  CAF  CAH  CBB  SAW   180.00   0.0  0
 7I6  CONST_16  CBE  CBC  CBB  SAW     0.00   0.0  0
 7I6  CONST_17  CAI  CBC  CBB  SAW   180.00   0.0  0
 7I6  CONST_18  CAK  CAM  CBA  CAP   180.00   0.0  0
 7I6  CONST_19  CAJ  CAL  CBA  CAP   180.00   0.0  0
 7I6  CONST_20  NAC  CAZ  CAJ  CAL   180.00   0.0  0
 7I6  CONST_21  CAM  CAK  CAZ  NAC   180.00   0.0  0
 7I6  CONST_22  H5   CAF  CAH  CBB   180.00   0.0  0
 7I6  CONST_23  H7   CAI  CBC  CBB   180.00   0.0  0
 7I6  CONST_24  H6   CAG  CAF  CAH   180.00   0.0  0
 7I6  CONST_25  H4   CAH  CAF  CAG   180.00   0.0  0
 7I6  CONST_26  H31  CAK  CAM  CBA   180.00   0.0  0
 7I6  CONST_27  H28  CAJ  CAL  CBA   180.00   0.0  0
 7I6  CONST_28  H32  CAM  CBA  CAL   180.00   0.0  0
 7I6  CONST_29  H27  CAL  CAJ  CAZ   180.00   0.0  0
 7I6  CONST_30  CA   C    NBF  CBE   180.00   0.0  0
 7I6  CONST_31  O    C    NBF  CBE     0.00   0.0  0
 7I6  CONST_32  CA   C    NBF  CAS     0.00   0.0  0
 7I6  CONST_33  O    C    NBF  CAS   180.00   0.0  0
 7I6  CONST_36  OAD  CAX  N    CA      0.00   0.0  0
 7I6  CONST_38  NAT  CAX  N    CA    180.00   0.0  0
 7I6  CONST_40  H23  N    CAX  OAD   180.00   0.0  0
 7I6  CONST_41  H24  NAT  CAX  OAD   180.00   0.0  0
 7I6  Var_01    CAS  CAN  CAQ  CBE   -38.35  30.0  1
 7I6  Var_02    CAN  CAS  NBF  CBE   -20.65  30.0  1
 7I6  Var_03    NBF  CAS  CAN  CAQ    35.79  30.0  1
 7I6  Var_04    CAH  CBB  SAW  CAB    -4.29  30.0  2
 7I6  Var_05    CAM  CBA  CAP  NAT    96.88  30.0  2
 7I6  Var_06    CBA  CAP  NAT  CAX   -70.87  30.0  3
 7I6  Var_07    H1   CAB  SAW  CBB  -177.89  30.0  3
 7I6  Var_08    SD   CG   CB   CA   -177.40  30.0  2
 7I6  Var_09    H20  CE   SD   CG    -57.90  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
 7I6  chir_01  CBE  CBC  CAQ  NBF  negativ
 7I6  chir_02  CA   N    CB   C    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
 7I6  plan-1  SAW  0.020
 7I6  plan-1  CBB  0.020
 7I6  plan-1  CAH  0.020
 7I6  plan-1  CAF  0.020
 7I6  plan-1  CAG  0.020
 7I6  plan-1  CAI  0.020
 7I6  plan-1  CBC  0.020
 7I6  plan-1  CBE  0.020
 7I6  plan-1  H4   0.020
 7I6  plan-1  H5   0.020
 7I6  plan-1  H6   0.020
 7I6  plan-1  H7   0.020
 7I6  plan-2  CAP  0.020
 7I6  plan-2  CBA  0.020
 7I6  plan-2  CAL  0.020
 7I6  plan-2  CAJ  0.020
 7I6  plan-2  CAZ  0.020
 7I6  plan-2  NAC  0.020
 7I6  plan-2  CAK  0.020
 7I6  plan-2  CAM  0.020
 7I6  plan-2  H27  0.020
 7I6  plan-2  H28  0.020
 7I6  plan-2  H31  0.020
 7I6  plan-2  H32  0.020
 7I6  plan-3  CA   0.020
 7I6  plan-3  N    0.020
 7I6  plan-3  CAX  0.020
 7I6  plan-3  OAD  0.020
 7I6  plan-3  NAT  0.020
 7I6  plan-3  CAP  0.020
 7I6  plan-3  H23  0.020
 7I6  plan-3  H24  0.020
 7I6  plan-4  CAZ  0.020
 7I6  plan-4  NAC  0.020
 7I6  plan-4  H29  0.020
 7I6  plan-4  H30  0.020
 7I6  plan-5  CBE  0.020
 7I6  plan-5  CAS  0.020
 7I6  plan-5  NBF  0.020
 7I6  plan-5  C    0.020
 7I6  plan-5  O    0.020
 7I6  plan-5  CA   0.020

