# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri May  1 03:57:17 2020
#   Inital geometry file: a 150 line input string
#   Ligand name: (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cn1cc(cn1)c2ccc(NC(=O)[C@H](NCCc3ccc(cc3)C#N)c4ccccc4)nc2
#
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
 QSD  QSD  (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide  ligand  57  33  .  2021-08-20  2021-08-20  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_QSD
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
 QSD  CAA  C  CH3   0  -0.507   10.0375   1.9864   0.8795
 QSD  NAB  N  NR5   0  -0.265    8.9314   1.2100   0.3723
 QSD  CAC  C  CR15  0   0.015    7.6237   1.4253   0.5789
 QSD  NAF  N  N     0  -0.276    9.1569   0.1496  -0.3954
 QSD  CAE  C  CR15  0  -0.104    7.9645  -0.3309  -0.6886
 QSD  CAD  C  CR5   0  -0.137    6.9370   0.4351  -0.1016
 QSD  CAG  C  CR6   0   0.009    5.4973   0.2295  -0.1906
 QSD  CAH  C  CR16  0  -0.134    4.5864   1.1971   0.2216
 QSD  NAI  N  N     0  -0.415    3.2676   1.0633   0.1700
 QSD  CBG  C  CR16  0  -0.213    4.9473  -0.9506  -0.6997
 QSD  CBF  C  CR16  0  -0.385    3.5809  -1.1054  -0.7617
 QSD  CAJ  C  CR6   0   0.514    2.7694  -0.0632  -0.3044
 QSD  NAK  N  NH1   0  -0.729    1.3896  -0.2374  -0.3792
 QSD  C    C  C     0   0.544    0.3935   0.5115   0.1689
 QSD  O    O  O     0  -0.432    0.5647   1.4900   0.8609
 QSD  CA   C  CH1   0  -0.256   -1.0140   0.0283  -0.2208
 QSD  CAZ  C  CR6   0   0.059   -1.1424  -1.4725  -0.0811
 QSD  CBA  C  CR16  0  -0.304   -1.1906  -2.2925  -1.2026
 QSD  CBB  C  CR16  0  -0.242   -1.2776  -3.6739  -1.0640
 QSD  CBC  C  CR16  0  -0.261   -1.3250  -4.2422   0.1996
 QSD  CBD  C  CR16  0  -0.243   -1.2870  -3.4256   1.3255
 QSD  CBE  C  CR16  0  -0.263   -1.1964  -2.0500   1.1863
 QSD  N    N  NH1   0  -0.602   -1.9841   0.7076   0.6010
 QSD  CAP  C  CH2   0  -0.245   -3.3430   0.5521   0.1259
 QSD  CAQ  C  CH2   0  -0.537   -4.3089   1.3163   1.0288
 QSD  CAR  C  CR6   0   0.139   -5.7280   1.1275   0.5829
 QSD  CAS  C  CR16  0  -0.295   -6.4809   0.0539   1.0571
 QSD  CAT  C  CR16  0  -0.223   -7.7782  -0.1534   0.6251
 QSD  CAU  C  CR6   0  -0.014   -8.3413   0.7247  -0.3012
 QSD  CAX  C  CSP   0   0.054   -9.6797   0.5213  -0.7504
 QSD  NAY  N  NS    0  -0.256  -10.7606   0.3563  -1.1153
 QSD  CAV  C  CR16  0  -0.223   -7.6015   1.8021  -0.7882
 QSD  CAW  C  CR16  0  -0.296   -6.3052   1.9934  -0.3446
 QSD  H1   H  HCH3  0   0.262   10.6057   2.4175   0.0578
 QSD  H2   H  HCH3  0   0.260    9.6499   2.7892   1.4994
 QSD  H3   H  HCH3  0   0.262   10.6942   1.3594   1.4787
 QSD  H4   H  HCR5  0   0.293    7.2781   2.2452   1.1881
 QSD  H5   H  HCR5  0   0.260    7.8728  -1.2044  -1.3167
 QSD  H6   H  HCR6  0   0.257    4.9412   2.1459   0.6114
 QSD  H7   H  HCR6  0   0.267    5.5839  -1.7572  -1.0402
 QSD  H8   H  HCR6  0   0.280    3.1495  -2.0196  -1.1484
 QSD  H9   H  HNH1  0   0.420    1.0975  -1.0718  -0.8670
 QSD  H10  H  HCH1  0   0.271   -1.1203   0.2768  -1.2934
 QSD  H11  H  HCR6  0   0.263   -1.1677  -1.8531  -2.1937
 QSD  H12  H  HCR6  0   0.260   -1.3157  -4.3023  -1.9441
 QSD  H13  H  HCR6  0   0.259   -1.3957  -5.3165   0.3103
 QSD  H14  H  HCR6  0   0.258   -1.3278  -3.8653   2.3138
 QSD  H15  H  HCR6  0   0.256   -1.1760  -1.4144   2.0627
 QSD  H16  H  HNH1  0   0.356   -1.7510   1.6919   0.6520
 QSD  H18  H  HCH2  0   0.209   -3.4721   0.8876  -0.9152
 QSD  H19  H  HCH2  0   0.233   -3.6056  -0.5092   0.1427
 QSD  H20  H  HCH2  0   0.255   -4.1868   0.9650   2.0555
 QSD  H21  H  HCH2  0   0.253   -4.0541   2.3796   1.0190
 QSD  H22  H  HCR6  0   0.266   -6.0470  -0.6269   1.7795
 QSD  H23  H  HCR6  0   0.279   -8.3539  -0.9865   1.0053
 QSD  H24  H  HCR6  0   0.280   -8.0405   2.4827  -1.5051
 QSD  H25  H  HCR6  0   0.265   -5.7346   2.8327  -0.7223

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
 QSD  CAQ  CAR  single    1.500  0.020  1.500
 QSD  CAQ  CAP  single    1.527  0.020  1.527
 QSD  CAR  CAS  aromatic  1.394  0.020  1.394
 QSD  CAR  CAW  aromatic  1.394  0.020  1.394
 QSD  CAS  CAT  aromatic  1.383  0.020  1.383
 QSD  CAW  CAV  aromatic  1.383  0.020  1.383
 QSD  CAP  N    single    1.448  0.020  1.448
 QSD  CAV  CAU  aromatic  1.395  0.020  1.395
 QSD  CAT  CAU  aromatic  1.395  0.020  1.395
 QSD  CAU  CAX  single    1.426  0.020  1.426
 QSD  CAX  NAY  triple    1.153  0.020  1.153
 QSD  N    CA   single    1.441  0.020  1.441
 QSD  CA   CAZ  single    1.513  0.020  1.513
 QSD  CA   C    single    1.538  0.020  1.538
 QSD  CBE  CAZ  aromatic  1.394  0.020  1.394
 QSD  CBE  CBD  aromatic  1.386  0.020  1.386
 QSD  CAZ  CBA  aromatic  1.390  0.020  1.390
 QSD  CBD  CBC  aromatic  1.391  0.020  1.391
 QSD  CBA  CBB  aromatic  1.391  0.020  1.391
 QSD  CBC  CBB  aromatic  1.386  0.020  1.386
 QSD  O    C    double    1.211  0.020  1.211
 QSD  C    NAK  single    1.361  0.020  1.361
 QSD  NAK  CAJ  single    1.393  0.020  1.393
 QSD  CAJ  CBF  aromatic  1.398  0.020  1.398
 QSD  CAJ  NAI  aromatic  1.320  0.020  1.320
 QSD  CBF  CBG  aromatic  1.377  0.020  1.377
 QSD  NAI  CAH  aromatic  1.327  0.020  1.327
 QSD  CBG  CAG  aromatic  1.398  0.020  1.398
 QSD  CAH  CAG  aromatic  1.391  0.020  1.391
 QSD  CAG  CAD  single    1.457  0.020  1.457
 QSD  CAD  CAC  aromatic  1.384  0.020  1.384
 QSD  CAD  CAE  aromatic  1.410  0.020  1.410
 QSD  CAC  NAB  aromatic  1.341  0.020  1.341
 QSD  CAE  NAF  aromatic  1.319  0.020  1.319
 QSD  NAB  NAF  aromatic  1.328  0.020  1.328
 QSD  NAB  CAA  single    1.443  0.020  1.443
 QSD  CAA  H1   single    0.970  0.020  1.090
 QSD  CAA  H2   single    0.970  0.020  1.090
 QSD  CAA  H3   single    0.970  0.020  1.090
 QSD  CAC  H4   single    0.930  0.020  1.080
 QSD  CAE  H5   single    0.930  0.020  1.080
 QSD  CAH  H6   single    0.930  0.020  1.080
 QSD  CBG  H7   single    0.930  0.020  1.080
 QSD  CBF  H8   single    0.930  0.020  1.080
 QSD  NAK  H9   single    0.860  0.020  1.020
 QSD  CA   H10  single    0.970  0.020  1.090
 QSD  CBA  H11  single    0.930  0.020  1.080
 QSD  CBB  H12  single    0.930  0.020  1.080
 QSD  CBC  H13  single    0.930  0.020  1.080
 QSD  CBD  H14  single    0.930  0.020  1.080
 QSD  CBE  H15  single    0.930  0.020  1.080
 QSD  N    H16  single    0.890  0.020  1.040
 QSD  CAP  H18  single    0.970  0.020  1.090
 QSD  CAP  H19  single    0.970  0.020  1.090
 QSD  CAQ  H20  single    0.970  0.020  1.090
 QSD  CAQ  H21  single    0.970  0.020  1.090
 QSD  CAS  H22  single    0.930  0.020  1.080
 QSD  CAT  H23  single    0.930  0.020  1.080
 QSD  CAV  H24  single    0.930  0.020  1.080
 QSD  CAW  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
 QSD  H3   CAA  H2   109.09  3.000
 QSD  H3   CAA  H1   109.22  3.000
 QSD  H2   CAA  H1   108.94  3.000
 QSD  H3   CAA  NAB  110.26  3.000
 QSD  H2   CAA  NAB  108.95  3.000
 QSD  H1   CAA  NAB  110.36  3.000
 QSD  NAF  NAB  CAC  112.50  3.000
 QSD  NAF  NAB  CAA  120.16  3.000
 QSD  CAC  NAB  CAA  127.35  3.000
 QSD  H4   CAC  CAD  131.51  3.000
 QSD  H4   CAC  NAB  121.44  3.000
 QSD  CAD  CAC  NAB  107.05  3.000
 QSD  CAE  NAF  NAB  105.42  3.000
 QSD  H5   CAE  CAD  128.32  3.000
 QSD  H5   CAE  NAF  120.05  3.000
 QSD  CAD  CAE  NAF  111.63  3.000
 QSD  CAG  CAD  CAE  128.18  3.000
 QSD  CAE  CAD  CAC  103.41  3.000
 QSD  CAG  CAD  CAC  128.42  3.000
 QSD  CBG  CAG  CAH  115.94  3.000
 QSD  CAH  CAG  CAD  122.05  3.000
 QSD  CBG  CAG  CAD  122.02  3.000
 QSD  H6   CAH  NAI  115.29  3.000
 QSD  H6   CAH  CAG  120.02  3.000
 QSD  NAI  CAH  CAG  124.69  3.000
 QSD  CAJ  NAI  CAH  118.38  3.000
 QSD  H7   CBG  CBF  119.07  3.000
 QSD  H7   CBG  CAG  120.81  3.000
 QSD  CBF  CBG  CAG  120.12  3.000
 QSD  H8   CBF  CAJ  121.01  3.000
 QSD  H8   CBF  CBG  120.45  3.000
 QSD  CAJ  CBF  CBG  118.54  3.000
 QSD  NAK  CAJ  CBF  117.67  3.000
 QSD  CBF  CAJ  NAI  122.33  3.000
 QSD  NAK  CAJ  NAI  120.00  3.000
 QSD  H9   NAK  C    115.94  3.000
 QSD  H9   NAK  CAJ  114.58  3.000
 QSD  C    NAK  CAJ  129.38  3.000
 QSD  CA   C    O    121.87  3.000
 QSD  O    C    NAK  124.84  3.000
 QSD  CA   C    NAK  113.25  3.000
 QSD  H10  CA   N    112.48  3.000
 QSD  H10  CA   CAZ  107.71  3.000
 QSD  N    CA   CAZ  110.96  3.000
 QSD  H10  CA   C    105.25  3.000
 QSD  CAZ  CA   C    111.46  3.000
 QSD  N    CA   C    108.87  3.000
 QSD  CBE  CAZ  CBA  119.19  3.000
 QSD  CBA  CAZ  CA   120.91  3.000
 QSD  CBE  CAZ  CA   119.89  3.000
 QSD  H11  CBA  CBB  119.66  3.000
 QSD  H11  CBA  CAZ  119.84  3.000
 QSD  CBB  CBA  CAZ  120.50  3.000
 QSD  H12  CBB  CBC  120.14  3.000
 QSD  H12  CBB  CBA  119.86  3.000
 QSD  CBC  CBB  CBA  120.01  3.000
 QSD  H13  CBC  CBD  120.11  3.000
 QSD  H13  CBC  CBB  120.16  3.000
 QSD  CBD  CBC  CBB  119.73  3.000
 QSD  H14  CBD  CBE  119.83  3.000
 QSD  H14  CBD  CBC  119.96  3.000
 QSD  CBE  CBD  CBC  120.21  3.000
 QSD  H15  CBE  CBD  120.18  3.000
 QSD  H15  CBE  CAZ  119.47  3.000
 QSD  CBD  CBE  CAZ  120.35  3.000
 QSD  H16  N    CAP  109.69  3.000
 QSD  H16  N    CA   109.38  3.000
 QSD  CAP  N    CA   113.20  3.000
 QSD  H19  CAP  H18  106.38  3.000
 QSD  H19  CAP  CAQ  108.95  3.000
 QSD  H18  CAP  CAQ  109.41  3.000
 QSD  H19  CAP  N    108.94  3.000
 QSD  H18  CAP  N    112.79  3.000
 QSD  CAQ  CAP  N    110.23  3.000
 QSD  H21  CAQ  H20  107.17  3.000
 QSD  H21  CAQ  CAR  109.90  3.000
 QSD  H20  CAQ  CAR  110.17  3.000
 QSD  H21  CAQ  CAP  109.51  3.000
 QSD  H20  CAQ  CAP  108.92  3.000
 QSD  CAR  CAQ  CAP  111.09  3.000
 QSD  CAW  CAR  CAS  118.75  3.000
 QSD  CAW  CAR  CAQ  120.76  3.000
 QSD  CAS  CAR  CAQ  120.46  3.000
 QSD  H22  CAS  CAT  119.33  3.000
 QSD  H22  CAS  CAR  119.63  3.000
 QSD  CAT  CAS  CAR  121.04  3.000
 QSD  H23  CAT  CAU  120.22  3.000
 QSD  H23  CAT  CAS  120.33  3.000
 QSD  CAU  CAT  CAS  119.45  3.000
 QSD  CAV  CAU  CAX  119.86  3.000
 QSD  CAX  CAU  CAT  119.87  3.000
 QSD  CAV  CAU  CAT  120.26  3.000
 QSD  NAY  CAX  CAU  180.00  3.000
 QSD  H24  CAV  CAW  120.39  3.000
 QSD  H24  CAV  CAU  120.15  3.000
 QSD  CAW  CAV  CAU  119.46  3.000
 QSD  H25  CAW  CAV  119.28  3.000
 QSD  H25  CAW  CAR  119.69  3.000
 QSD  CAV  CAW  CAR  121.03  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
 QSD  CONST_01  CAG  CAD  CAC  NAB   180.00   0.0  0
 QSD  CONST_02  CAE  CAD  CAC  NAB     0.00   0.0  0
 QSD  CONST_03  CAD  CAE  NAF  NAB     0.00   0.0  0
 QSD  CONST_04  CBG  CAG  CAD  CAC   180.00   0.0  0
 QSD  CONST_05  CAH  CAG  CAD  CAC     0.00   0.0  0
 QSD  CONST_06  NAF  CAE  CAD  CAC     0.00   0.0  0
 QSD  CONST_07  CAE  NAF  NAB  CAC     0.00   0.0  0
 QSD  CONST_08  CAG  CAD  CAE  NAF   180.00   0.0  0
 QSD  CONST_09  CAD  CAC  NAB  NAF     0.00   0.0  0
 QSD  CONST_10  CBG  CAG  CAD  CAE     0.00   0.0  0
 QSD  CONST_11  CAH  CAG  CAD  CAE   180.00   0.0  0
 QSD  CONST_12  CBF  CBG  CAG  CAD   180.00   0.0  0
 QSD  CONST_13  NAI  CAH  CAG  CAD   180.00   0.0  0
 QSD  CONST_14  CAJ  CBF  CBG  CAG     0.00   0.0  0
 QSD  CONST_15  CAJ  NAI  CAH  CAG     0.00   0.0  0
 QSD  CONST_16  CBF  CAJ  NAI  CAH     0.00   0.0  0
 QSD  CONST_17  CBF  CBG  CAG  CAH     0.00   0.0  0
 QSD  CONST_18  CBG  CBF  CAJ  NAI     0.00   0.0  0
 QSD  CONST_19  CBG  CAG  CAH  NAI     0.00   0.0  0
 QSD  CONST_20  CBC  CBD  CBE  CAZ     0.00   0.0  0
 QSD  CONST_21  CBC  CBB  CBA  CAZ     0.00   0.0  0
 QSD  CONST_22  CBD  CBE  CAZ  CBA     0.00   0.0  0
 QSD  CONST_23  CBD  CBC  CBB  CBA     0.00   0.0  0
 QSD  CONST_24  CBE  CAZ  CBA  CBB     0.00   0.0  0
 QSD  CONST_25  CBE  CBD  CBC  CBB     0.00   0.0  0
 QSD  CONST_26  CAU  CAT  CAS  CAR     0.00   0.0  0
 QSD  CONST_27  CAU  CAV  CAW  CAR     0.00   0.0  0
 QSD  CONST_28  CAV  CAW  CAR  CAS     0.00   0.0  0
 QSD  CONST_29  CAV  CAU  CAT  CAS     0.00   0.0  0
 QSD  CONST_30  CAW  CAR  CAS  CAT     0.00   0.0  0
 QSD  CONST_31  CAW  CAV  CAU  CAT     0.00   0.0  0
 QSD  CONST_32  CAD  CAC  NAB  CAA   180.00   0.0  0
 QSD  CONST_33  CAE  NAF  NAB  CAA   180.00   0.0  0
 QSD  CONST_34  NAK  CAJ  NAI  CAH   180.00   0.0  0
 QSD  CONST_35  NAK  CAJ  CBF  CBG   180.00   0.0  0
 QSD  CONST_36  CBD  CBE  CAZ  CA    180.00   0.0  0
 QSD  CONST_37  CBB  CBA  CAZ  CA    180.00   0.0  0
 QSD  CONST_38  CAT  CAS  CAR  CAQ   180.00   0.0  0
 QSD  CONST_39  CAV  CAW  CAR  CAQ   180.00   0.0  0
 QSD  CONST_40  CAX  CAU  CAT  CAS   180.00   0.0  0
 QSD  CONST_41  CAW  CAV  CAU  CAX   180.00   0.0  0
 QSD  CONST_42  H5   CAE  NAF  NAB   180.00   0.0  0
 QSD  CONST_43  H4   CAC  NAB  NAF   180.00   0.0  0
 QSD  CONST_44  H7   CBG  CAG  CAD     0.00   0.0  0
 QSD  CONST_45  H6   CAH  CAG  CAD     0.00   0.0  0
 QSD  CONST_46  H8   CBF  CBG  CAG   180.00   0.0  0
 QSD  CONST_47  H14  CBD  CBE  CAZ   180.00   0.0  0
 QSD  CONST_48  H12  CBB  CBA  CAZ   180.00   0.0  0
 QSD  CONST_49  H15  CBE  CAZ  CBA   180.00   0.0  0
 QSD  CONST_50  H13  CBC  CBB  CBA   180.00   0.0  0
 QSD  CONST_51  H11  CBA  CBB  CBC   180.00   0.0  0
 QSD  CONST_52  H23  CAT  CAS  CAR   180.00   0.0  0
 QSD  CONST_53  H24  CAV  CAW  CAR   180.00   0.0  0
 QSD  CONST_54  H25  CAW  CAR  CAS   180.00   0.0  0
 QSD  CONST_55  H22  CAS  CAT  CAU   180.00   0.0  0
 QSD  CONST_56  C    NAK  CAJ  NAI     0.00   0.0  0
 QSD  CONST_57  C    NAK  CAJ  CBF   180.00   0.0  0
 QSD  CONST_58  H9   NAK  CAJ  NAI   180.00   0.0  0
 QSD  CONST_59  CA   C    NAK  CAJ   180.00   0.0  0
 QSD  CONST_60  O    C    NAK  CAJ     0.00   0.0  0
 QSD  Var_01    CAS  CAR  CAQ  CAP    88.21  30.0  2
 QSD  Var_02    H1   CAA  NAB  CAC  -118.08  30.0  2
 QSD  Var_03    CAR  CAQ  CAP  N    -177.94  30.0  2
 QSD  Var_04    CAQ  CAP  N    CA   -179.01  30.0  1

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
 QSD  chir_01  CA  N  CAZ  C  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
 QSD  plan-1  CAA  0.020
 QSD  plan-1  NAB  0.020
 QSD  plan-1  CAC  0.020
 QSD  plan-1  NAF  0.020
 QSD  plan-1  CAE  0.020
 QSD  plan-1  CAD  0.020
 QSD  plan-1  CAG  0.020
 QSD  plan-1  H4   0.020
 QSD  plan-1  H5   0.020
 QSD  plan-2  CAD  0.020
 QSD  plan-2  CAG  0.020
 QSD  plan-2  CAH  0.020
 QSD  plan-2  NAI  0.020
 QSD  plan-2  CBG  0.020
 QSD  plan-2  CBF  0.020
 QSD  plan-2  CAJ  0.020
 QSD  plan-2  NAK  0.020
 QSD  plan-2  H6   0.020
 QSD  plan-2  H7   0.020
 QSD  plan-2  H8   0.020
 QSD  plan-3  CA   0.020
 QSD  plan-3  CAZ  0.020
 QSD  plan-3  CBA  0.020
 QSD  plan-3  CBB  0.020
 QSD  plan-3  CBC  0.020
 QSD  plan-3  CBD  0.020
 QSD  plan-3  CBE  0.020
 QSD  plan-3  H11  0.020
 QSD  plan-3  H12  0.020
 QSD  plan-3  H13  0.020
 QSD  plan-3  H14  0.020
 QSD  plan-3  H15  0.020
 QSD  plan-4  CAQ  0.020
 QSD  plan-4  CAR  0.020
 QSD  plan-4  CAS  0.020
 QSD  plan-4  CAT  0.020
 QSD  plan-4  CAU  0.020
 QSD  plan-4  CAX  0.020
 QSD  plan-4  NAY  0.020
 QSD  plan-4  CAV  0.020
 QSD  plan-4  CAW  0.020
 QSD  plan-4  H22  0.020
 QSD  plan-4  H23  0.020
 QSD  plan-4  H24  0.020
 QSD  plan-4  H25  0.020
 QSD  plan-5  CAJ  0.020
 QSD  plan-5  NAK  0.020
 QSD  plan-5  C    0.020
 QSD  plan-5  O    0.020
 QSD  plan-5  CA   0.020
 QSD  plan-5  H9   0.020

