# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Jul 31 10:17:02 2021
#   Inital geometry file: a 164 line input string
#   Ligand name: 3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCN1C=CN(C(=O)N[C@@H](C(=O)N[C@@H](Cc2cccc(c2)C(O)=O)B(O)O)c3ccc(O)cc3)C(=O)C1=O
#
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
 3Y6  3Y6  '3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid'  ligand  63  38  .  2022-11-17  2022-11-17
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_3Y6
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
 3Y6  N    N  NH1   0  -0.704  -13.1691  -17.3475   3.7320
 3Y6  CA   C  CH1   0  -0.206  -14.0854  -16.3323   3.2506
 3Y6  C    C  C     0   0.547  -13.8927  -15.1510   4.2261
 3Y6  O    O  O     0  -0.472  -14.0302  -15.3448   5.4218
 3Y6  CAB  C  CR6   0   0.480  -11.7745  -19.4007   5.0945
 3Y6  CAC  C  CR6   0   0.491  -10.7743  -20.4332   5.5971
 3Y6  OAD  O  O     0  -0.451  -10.4326  -20.3861   6.7607
 3Y6  NAE  N  NR6   0  -0.492  -10.3182  -21.3417   4.7077
 3Y6  CAF  C  CH2   0  -0.326   -9.3679  -22.3644   5.1460
 3Y6  CAG  C  CH3   0  -0.658  -10.0545  -23.5555   5.7901
 3Y6  CAH  C  CR16  0  -0.081  -10.7802  -21.3605   3.4046
 3Y6  CAI  C  CR16  0  -0.081  -11.6631  -20.4767   2.9509
 3Y6  NAJ  N  NR6   0  -0.626  -12.1577  -19.4655   3.7790
 3Y6  CAK  C  C     0   0.768  -13.1048  -18.5585   3.1734
 3Y6  OAL  O  O     0  -0.455  -13.7082  -18.9109   2.1869
 3Y6  CAO  C  CR6   0   0.033  -13.8976  -15.9789   1.7989
 3Y6  CAP  C  CR16  0  -0.267  -12.6515  -15.9723   1.1828
 3Y6  CAQ  C  CR16  0  -0.373  -12.5057  -15.5616  -0.1328
 3Y6  CAR  C  CR6   0   0.351  -13.6160  -15.1417  -0.8617
 3Y6  OAS  O  OH1   0  -0.629  -13.5337  -14.7269  -2.1395
 3Y6  CAT  C  CR16  0  -0.325  -14.8717  -15.1527  -0.2585
 3Y6  CAU  C  CR16  0  -0.275  -15.0008  -15.5698   1.0550
 3Y6  NAX  N  NH1   0  -0.665  -13.5805  -13.9677   3.6809
 3Y6  CAY  C  CH1   0  -0.284  -13.1290  -12.8213   4.4530
 3Y6  BAY  B  B     0   0.526  -13.8484  -11.4852   3.9629
 3Y6  OBB  O  OH1   0  -0.612  -15.0459  -11.5137   3.3194
 3Y6  OBA  O  OH1   0  -0.620  -13.2523  -10.2999   4.2382
 3Y6  CBC  C  CH2   0  -0.539  -11.5908  -12.7463   4.4530
 3Y6  CBD  C  CR6   0   0.160  -10.9621  -14.0121   4.9659
 3Y6  CBE  C  CR16  0  -0.342  -10.4558  -14.9669   4.0966
 3Y6  CBI  C  CR6   0  -0.071   -9.9367  -16.1736   4.5694
 3Y6  CBJ  C  C     0   0.538   -9.4330  -17.1531   3.5791
 3Y6  OBL  O  O     0  -0.434   -9.3512  -16.9371   2.3929
 3Y6  OBK  O  OH1   0  -0.601   -9.0812  -18.3167   4.1195
 3Y6  CBH  C  CR16  0  -0.261   -9.9053  -16.4214   5.9385
 3Y6  CBG  C  CR16  0  -0.228  -10.3922  -15.4635   6.8159
 3Y6  CBF  C  CR16  0  -0.275  -10.9206  -14.2775   6.3342
 3Y6  H1   H  HNH1  0   0.438  -12.7939  -17.2348   4.6664
 3Y6  H2   H  HCH1  0   0.306  -15.1216  -16.6643   3.3919
 3Y6  H3   H  HCH2  0   0.267   -8.8079  -22.6768   4.2657
 3Y6  H4   H  HCH2  0   0.270   -8.6597  -21.9024   5.8307
 3Y6  H5   H  HCH3  0   0.245   -9.3062  -24.2952   6.0736
 3Y6  H6   H  HCH3  0   0.240  -10.5994  -23.2669   6.6878
 3Y6  H7   H  HCH3  0   0.236  -10.7508  -24.0308   5.0992
 3Y6  H8   H  HCR6  0   0.319  -10.3807  -22.1275   2.7605
 3Y6  H9   H  HCR6  0   0.324  -12.0117  -20.4946   1.9338
 3Y6  H10  H  HCR6  0   0.264  -11.7718  -16.2996   1.7209
 3Y6  H11  H  HCR6  0   0.274  -11.5228  -15.5691  -0.5903
 3Y6  H12  H  HOH1  0   0.476  -12.6184  -14.7444  -2.4407
 3Y6  H13  H  HCR6  0   0.267  -15.7429  -14.8387  -0.8194
 3Y6  H14  H  HCR6  0   0.260  -15.9857  -15.5765   1.5079
 3Y6  H15  H  HNH1  0   0.414  -13.3902  -13.9518   2.6900
 3Y6  H16  H  HCH1  0   0.278  -13.4622  -12.9812   5.4843
 3Y6  H17  H  HOH1  0   0.477  -15.3863  -12.4059   3.1961
 3Y6  H18  H  HOH1  0   0.491  -13.7631   -9.5301   3.9653
 3Y6  H19  H  HCH2  0   0.265  -11.2852  -11.9016   5.0731
 3Y6  H20  H  HCH2  0   0.255  -11.2331  -12.5388   3.4409
 3Y6  H21  H  HCR6  0   0.257  -10.4609  -14.7698   3.0318
 3Y6  H22  H  HOH1  0   0.487   -8.7194  -18.8972   3.4331
 3Y6  H23  H  HCR6  0   0.267   -9.5083  -17.3469   6.3303
 3Y6  H24  H  HCR6  0   0.263  -10.3630  -15.6494   7.8813
 3Y6  H25  H  HCR6  0   0.256  -11.3100  -13.5437   7.0307
 3Y6  OAA  O  O     0  -0.437  -12.1853  -18.5786   5.8855

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
 3Y6  OAS  CAR  single    1.346  0.020  1.346
 3Y6  CAR  CAT  aromatic  1.393  0.020  1.393
 3Y6  CAR  CAQ  aromatic  1.393  0.020  1.393
 3Y6  CAT  CAU  aromatic  1.384  0.020  1.384
 3Y6  CAQ  CAP  aromatic  1.386  0.020  1.386
 3Y6  CAU  CAO  aromatic  1.392  0.020  1.392
 3Y6  OBL  CBJ  double    1.209  0.020  1.209
 3Y6  CAP  CAO  aromatic  1.390  0.020  1.390
 3Y6  CAO  CA   single    1.506  0.020  1.506
 3Y6  OAL  CAK  double    1.209  0.020  1.209
 3Y6  CBJ  OBK  single    1.330  0.020  1.330
 3Y6  CBJ  CBI  single    1.481  0.020  1.481
 3Y6  CAK  NAJ  single    1.444  0.020  1.444
 3Y6  CAK  N    single    1.335  0.020  1.335
 3Y6  CAI  NAJ  single    1.397  0.020  1.397
 3Y6  CAI  CAH  double    1.329  0.020  1.329
 3Y6  CA   N    single    1.450  0.020  1.450
 3Y6  CA   C    single    1.544  0.020  1.544
 3Y6  CBE  CBI  aromatic  1.396  0.020  1.396
 3Y6  CBE  CBD  aromatic  1.387  0.020  1.387
 3Y6  CBI  CBH  aromatic  1.392  0.020  1.392
 3Y6  NAJ  CAB  single    1.372  0.020  1.372
 3Y6  CAH  NAE  single    1.383  0.020  1.383
 3Y6  NAX  C    single    1.340  0.020  1.340
 3Y6  NAX  CAY  single    1.454  0.020  1.454
 3Y6  OBA  BAY  single    1.355  0.020  1.355
 3Y6  C    O    double    1.219  0.020  1.219
 3Y6  CBC  CBD  single    1.504  0.020  1.504
 3Y6  CBC  CAY  single    1.540  0.020  1.540
 3Y6  CBD  CBF  aromatic  1.394  0.020  1.394
 3Y6  NAE  CAC  single    1.351  0.020  1.351
 3Y6  NAE  CAF  single    1.463  0.020  1.463
 3Y6  CBH  CBG  aromatic  1.387  0.020  1.387
 3Y6  CAB  CAC  single    1.523  0.020  1.523
 3Y6  CAB  OAA  double    1.213  0.020  1.213
 3Y6  CAY  BAY  single    1.595  0.020  1.595
 3Y6  BAY  OBB  single    1.360  0.020  1.360
 3Y6  CAC  OAD  double    1.214  0.020  1.214
 3Y6  CAF  CAG  single    1.518  0.020  1.518
 3Y6  CBF  CBG  aromatic  1.385  0.020  1.385
 3Y6  N    H1   single    0.860  0.020  1.020
 3Y6  CA   H2   single    0.970  0.020  1.090
 3Y6  CAF  H3   single    0.970  0.020  1.090
 3Y6  CAF  H4   single    0.970  0.020  1.090
 3Y6  CAG  H5   single    0.970  0.020  1.090
 3Y6  CAG  H6   single    0.970  0.020  1.090
 3Y6  CAG  H7   single    0.970  0.020  1.090
 3Y6  CAH  H8   single    0.930  0.020  1.080
 3Y6  CAI  H9   single    0.930  0.020  1.080
 3Y6  CAP  H10  single    0.930  0.020  1.080
 3Y6  CAQ  H11  single    0.930  0.020  1.080
 3Y6  OAS  H12  single    0.850  0.020  0.980
 3Y6  CAT  H13  single    0.930  0.020  1.080
 3Y6  CAU  H14  single    0.930  0.020  1.080
 3Y6  NAX  H15  single    0.860  0.020  1.020
 3Y6  CAY  H16  single    0.970  0.020  1.090
 3Y6  OBB  H17  single    0.850  0.020  0.980
 3Y6  OBA  H18  single    0.850  0.020  0.980
 3Y6  CBC  H19  single    0.970  0.020  1.090
 3Y6  CBC  H20  single    0.970  0.020  1.090
 3Y6  CBE  H21  single    0.930  0.020  1.080
 3Y6  OBK  H22  single    0.850  0.020  0.980
 3Y6  CBH  H23  single    0.930  0.020  1.080
 3Y6  CBG  H24  single    0.930  0.020  1.080
 3Y6  CBF  H25  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
 3Y6  H1   N    CAK  117.96  3.000
 3Y6  H1   N    CA   117.54  3.000
 3Y6  CAK  N    CA   121.77  3.000
 3Y6  H2   CA   CAO  108.23  3.000
 3Y6  H2   CA   C    105.54  3.000
 3Y6  CAO  CA   C    114.46  3.000
 3Y6  H2   CA   N    110.01  3.000
 3Y6  C    CA   N    104.30  3.000
 3Y6  CAO  CA   N    113.93  3.000
 3Y6  NAX  C    O    124.46  3.000
 3Y6  O    C    CA   118.95  3.000
 3Y6  NAX  C    CA   116.60  3.000
 3Y6  NAJ  CAB  CAC  117.90  3.000
 3Y6  CAC  CAB  OAA  117.83  3.000
 3Y6  NAJ  CAB  OAA  124.26  3.000
 3Y6  NAE  CAC  OAD  124.22  3.000
 3Y6  OAD  CAC  CAB  118.36  3.000
 3Y6  NAE  CAC  CAB  117.42  3.000
 3Y6  CAH  NAE  CAF  119.33  3.000
 3Y6  CAF  NAE  CAC  119.49  3.000
 3Y6  CAH  NAE  CAC  121.12  3.000
 3Y6  H4   CAF  H3   107.20  3.000
 3Y6  H4   CAF  CAG  111.13  3.000
 3Y6  H3   CAF  CAG  110.52  3.000
 3Y6  H4   CAF  NAE  108.33  3.000
 3Y6  H3   CAF  NAE  107.00  3.000
 3Y6  CAG  CAF  NAE  112.44  3.000
 3Y6  H7   CAG  H6   108.57  3.000
 3Y6  H7   CAG  H5   107.91  3.000
 3Y6  H6   CAG  H5   108.00  3.000
 3Y6  H7   CAG  CAF  111.23  3.000
 3Y6  H6   CAG  CAF  111.60  3.000
 3Y6  H5   CAG  CAF  109.42  3.000
 3Y6  H8   CAH  CAI  121.01  3.000
 3Y6  H8   CAH  NAE  116.67  3.000
 3Y6  CAI  CAH  NAE  122.32  3.000
 3Y6  H9   CAI  NAJ  117.24  3.000
 3Y6  H9   CAI  CAH  121.81  3.000
 3Y6  NAJ  CAI  CAH  120.93  3.000
 3Y6  CAK  NAJ  CAI  115.98  3.000
 3Y6  CAI  NAJ  CAB  120.24  3.000
 3Y6  CAK  NAJ  CAB  123.75  3.000
 3Y6  OAL  CAK  NAJ  119.10  3.000
 3Y6  NAJ  CAK  N    115.19  3.000
 3Y6  OAL  CAK  N    125.58  3.000
 3Y6  CAU  CAO  CAP  118.17  3.000
 3Y6  CAP  CAO  CA   122.69  3.000
 3Y6  CAU  CAO  CA   119.04  3.000
 3Y6  H10  CAP  CAQ  118.44  3.000
 3Y6  H10  CAP  CAO  120.46  3.000
 3Y6  CAQ  CAP  CAO  121.10  3.000
 3Y6  H11  CAQ  CAR  120.26  3.000
 3Y6  H11  CAQ  CAP  119.60  3.000
 3Y6  CAR  CAQ  CAP  120.14  3.000
 3Y6  CAT  CAR  OAS  117.94  3.000
 3Y6  CAT  CAR  CAQ  119.31  3.000
 3Y6  OAS  CAR  CAQ  122.74  3.000
 3Y6  H12  OAS  CAR  110.44  3.000
 3Y6  H13  CAT  CAU  120.26  3.000
 3Y6  H13  CAT  CAR  119.92  3.000
 3Y6  CAU  CAT  CAR  119.82  3.000
 3Y6  H14  CAU  CAT  118.89  3.000
 3Y6  H14  CAU  CAO  119.66  3.000
 3Y6  CAT  CAU  CAO  121.45  3.000
 3Y6  H15  NAX  CAY  116.76  3.000
 3Y6  H15  NAX  C    117.22  3.000
 3Y6  CAY  NAX  C    123.55  3.000
 3Y6  H16  CAY  CBC  108.11  3.000
 3Y6  H16  CAY  BAY  105.92  3.000
 3Y6  CBC  CAY  BAY  114.19  3.000
 3Y6  H16  CAY  NAX  106.88  3.000
 3Y6  BAY  CAY  NAX  110.94  3.000
 3Y6  CBC  CAY  NAX  110.40  3.000
 3Y6  OBA  BAY  OBB  120.12  3.000
 3Y6  OBB  BAY  CAY  121.68  3.000
 3Y6  OBA  BAY  CAY  118.17  3.000
 3Y6  H17  OBB  BAY  113.04  3.000
 3Y6  H18  OBA  BAY  114.10  3.000
 3Y6  H20  CBC  H19  106.70  3.000
 3Y6  H20  CBC  CBD  109.80  3.000
 3Y6  H19  CBC  CBD  109.91  3.000
 3Y6  H20  CBC  CAY  109.64  3.000
 3Y6  H19  CBC  CAY  108.51  3.000
 3Y6  CBD  CBC  CAY  112.13  3.000
 3Y6  CBF  CBD  CBE  118.24  3.000
 3Y6  CBF  CBD  CBC  120.49  3.000
 3Y6  CBE  CBD  CBC  121.22  3.000
 3Y6  H21  CBE  CBI  119.47  3.000
 3Y6  H21  CBE  CBD  119.29  3.000
 3Y6  CBI  CBE  CBD  121.23  3.000
 3Y6  CBH  CBI  CBJ  122.17  3.000
 3Y6  CBH  CBI  CBE  119.70  3.000
 3Y6  CBJ  CBI  CBE  118.14  3.000
 3Y6  OBK  CBJ  OBL  122.49  3.000
 3Y6  OBK  CBJ  CBI  113.38  3.000
 3Y6  OBL  CBJ  CBI  124.13  3.000
 3Y6  H22  OBK  CBJ  109.57  3.000
 3Y6  H23  CBH  CBG  119.41  3.000
 3Y6  H23  CBH  CBI  121.16  3.000
 3Y6  CBG  CBH  CBI  119.43  3.000
 3Y6  H24  CBG  CBF  120.00  3.000
 3Y6  H24  CBG  CBH  119.65  3.000
 3Y6  CBF  CBG  CBH  120.35  3.000
 3Y6  H25  CBF  CBG  119.56  3.000
 3Y6  H25  CBF  CBD  119.40  3.000
 3Y6  CBG  CBF  CBD  121.04  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
 3Y6  CONST_01  CAR  CAT  CAU  CAO    0.00   0.0  0
 3Y6  CONST_02  CAR  CAQ  CAP  CAO    0.00   0.0  0
 3Y6  CONST_03  CAT  CAR  CAQ  CAP    0.00   0.0  0
 3Y6  CONST_04  CAT  CAU  CAO  CAP    0.00   0.0  0
 3Y6  CONST_05  CAU  CAT  CAR  CAQ    0.00   0.0  0
 3Y6  CONST_06  CAU  CAO  CAP  CAQ    0.00   0.0  0
 3Y6  CONST_07  CBH  CBI  CBE  CBD    0.00   0.0  0
 3Y6  CONST_08  CBH  CBG  CBF  CBD    0.00   0.0  0
 3Y6  CONST_09  CBG  CBH  CBI  CBE    0.00   0.0  0
 3Y6  CONST_10  CBG  CBF  CBD  CBE    0.00   0.0  0
 3Y6  CONST_11  CBF  CBD  CBE  CBI    0.00   0.0  0
 3Y6  CONST_12  CBF  CBG  CBH  CBI    0.00   0.0  0
 3Y6  CONST_13  CAH  NAE  CAC  CAB    0.00   0.0  0
 3Y6  CONST_14  CAI  NAJ  CAB  CAC    0.00   0.0  0
 3Y6  CONST_15  CAT  CAU  CAO  CA   180.00   0.0  0
 3Y6  CONST_16  CAQ  CAP  CAO  CA   180.00   0.0  0
 3Y6  CONST_17  OAS  CAR  CAQ  CAP  180.00   0.0  0
 3Y6  CONST_18  CAU  CAT  CAR  OAS  180.00   0.0  0
 3Y6  CONST_19  CBI  CBE  CBD  CBC  180.00   0.0  0
 3Y6  CONST_20  CBG  CBF  CBD  CBC  180.00   0.0  0
 3Y6  CONST_21  CBJ  CBI  CBE  CBD  180.00   0.0  0
 3Y6  CONST_22  CBG  CBH  CBI  CBJ  180.00   0.0  0
 3Y6  CONST_23  CAI  NAJ  CAB  OAA  180.00   0.0  0
 3Y6  CONST_24  CAF  NAE  CAC  CAB  180.00   0.0  0
 3Y6  CONST_25  CAK  NAJ  CAB  CAC  180.00   0.0  0
 3Y6  CONST_26  CAH  NAE  CAC  OAD  180.00   0.0  0
 3Y6  CONST_27  H13  CAT  CAU  CAO  180.00   0.0  0
 3Y6  CONST_28  H11  CAQ  CAP  CAO  180.00   0.0  0
 3Y6  CONST_29  H14  CAU  CAO  CAP  180.00   0.0  0
 3Y6  CONST_30  H10  CAP  CAQ  CAR  180.00   0.0  0
 3Y6  CONST_31  H24  CBG  CBF  CBD  180.00   0.0  0
 3Y6  CONST_32  H23  CBH  CBI  CBE  180.00   0.0  0
 3Y6  CONST_33  H25  CBF  CBD  CBE  180.00   0.0  0
 3Y6  CONST_34  H21  CBE  CBI  CBH  180.00   0.0  0
 3Y6  CONST_39  CAK  NAJ  CAB  OAA    0.00   0.0  0
 3Y6  CONST_40  CAF  NAE  CAC  OAD    0.00   0.0  0
 3Y6  CONST_41  NAJ  CAK  N    CA   180.00   0.0  0
 3Y6  CONST_43  H22  OBK  CBJ  CBI  180.00   0.0  0
 3Y6  CONST_44  OAL  CAK  N    CA     0.00   0.0  0
 3Y6  CONST_45  CAY  NAX  C    CA   180.00   0.0  0
 3Y6  CONST_46  CAY  NAX  C    O      0.00   0.0  0
 3Y6  CONST_47  H15  NAX  C    CA     0.00   0.0  0
 3Y6  Var_01    CAG  CAF  NAE  CAC   83.42  30.0  3
 3Y6  Var_02    CBE  CBD  CBC  CAY   99.87  30.0  2
 3Y6  Var_03    OBL  CBJ  CBI  CBE    5.67  30.0  2
 3Y6  Var_04    H5   CAG  CAF  NAE  178.56  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
 3Y6  chir_01  CA   CAO  N    C    negativ
 3Y6  chir_02  CAY  NAX  CBC  BAY  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
 3Y6  plan-1  CBI  0.020
 3Y6  plan-1  CBJ  0.020
 3Y6  plan-1  OBL  0.020
 3Y6  plan-1  OBK  0.020
 3Y6  plan-1  H22  0.020
 3Y6  plan-2  CA   0.020
 3Y6  plan-2  CAO  0.020
 3Y6  plan-2  CAP  0.020
 3Y6  plan-2  CAQ  0.020
 3Y6  plan-2  CAR  0.020
 3Y6  plan-2  OAS  0.020
 3Y6  plan-2  CAT  0.020
 3Y6  plan-2  CAU  0.020
 3Y6  plan-2  H10  0.020
 3Y6  plan-2  H11  0.020
 3Y6  plan-2  H13  0.020
 3Y6  plan-2  H14  0.020
 3Y6  plan-3  CBC  0.020
 3Y6  plan-3  CBD  0.020
 3Y6  plan-3  CBE  0.020
 3Y6  plan-3  CBI  0.020
 3Y6  plan-3  CBJ  0.020
 3Y6  plan-3  CBH  0.020
 3Y6  plan-3  CBG  0.020
 3Y6  plan-3  CBF  0.020
 3Y6  plan-3  H21  0.020
 3Y6  plan-3  H23  0.020
 3Y6  plan-3  H24  0.020
 3Y6  plan-3  H25  0.020
 3Y6  plan-4  CA   0.020
 3Y6  plan-4  C    0.020
 3Y6  plan-4  O    0.020
 3Y6  plan-4  NAX  0.020
 3Y6  plan-4  CAY  0.020
 3Y6  plan-4  H15  0.020
 3Y6  plan-5  N    0.020
 3Y6  plan-5  CA   0.020
 3Y6  plan-5  CAB  0.020
 3Y6  plan-5  CAC  0.020
 3Y6  plan-5  OAD  0.020
 3Y6  plan-5  NAE  0.020
 3Y6  plan-5  CAF  0.020
 3Y6  plan-5  CAH  0.020
 3Y6  plan-5  CAI  0.020
 3Y6  plan-5  NAJ  0.020
 3Y6  plan-5  CAK  0.020
 3Y6  plan-5  OAL  0.020
 3Y6  plan-5  H1   0.020
 3Y6  plan-5  H8   0.020
 3Y6  plan-5  H9   0.020
 3Y6  plan-5  OAA  0.020

