# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon May  4 02:51:48 2020
#   Inital geometry file: a 146 line input string
#   Ligand name: 2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1ccccc1N2C(=Nc3cccc(C)c3C2=O)Cn4nc(C#CCO)c5c(N)ncnc45
#
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
 S30  S30  2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one  ligand  55  34  .  2021-08-23  2021-08-23  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_S30
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
 S30  CAT   C  CH3   0  -0.734  -2.8688   1.2687  -2.7255
 S30  CAL   C  CR6   0   0.113  -3.2362   2.0787  -1.5186
 S30  CAM   C  CR16  0  -0.321  -3.8049   3.3432  -1.6467
 S30  CAE   C  CR16  0  -0.224  -4.1605   4.0920  -0.5334
 S30  CAD   C  CR16  0  -0.285  -3.9515   3.5889   0.7425
 S30  CAC   C  CR16  0  -0.233  -3.3862   2.3318   0.8943
 S30  CAK   C  CR6   0   0.212  -3.0323   1.5973  -0.2261
 S30  NAJ   N  NR6   0  -0.648  -2.4321   0.3089  -0.0462
 S30  CAI   C  CR6   0   0.554  -3.2833  -0.7997  -0.0609
 S30  OAB   O  O     0  -0.436  -4.4761  -0.6243  -0.2051
 S30  CAH   C  CR66  0  -0.118  -2.6129  -2.0861   0.1024
 S30  CAG   C  CR6   0   0.095  -3.3220  -3.3096   0.0924
 S30  CAA   C  CH3   0  -0.713  -4.8081  -3.4172  -0.0927
 S30  CAF   C  CR16  0  -0.321  -2.5972  -4.4788   0.2580
 S30  CAN   C  CR16  0  -0.223  -1.2130  -4.4699   0.4300
 S30  CAO   C  CR16  0  -0.333  -0.5208  -3.2818   0.4345
 S30  CAP   C  CR66  0   0.256  -1.2151  -2.0797   0.2692
 S30  NAQ   N  N     0  -0.444  -0.4754  -0.9210   0.2756
 S30  CAR   C  CR6   0   0.447  -1.0789   0.1923   0.1221
 S30  CAS   C  CH2   0  -0.398  -0.2757   1.4723   0.1401
 S30  NAV   N  NR5   0  -0.367   1.1255   1.1964   0.1909
 S30  NAU   N  N     0  -0.256   1.8083   0.9402  -0.9326
 S30  C6    C  CR56  0   0.583   1.8683   0.9759   1.2950
 S30  N1    N  N     0  -0.465   1.4905   1.1114   2.5664
 S30  C2    C  CR16  0   0.057   2.4721   0.8305   3.4023
 S30  N3    N  N     0  -0.476   3.7188   0.4508   3.1268
 S30  C4    C  CR6   0   0.456   4.0869   0.3190   1.8490
 S30  NBE   N  NH2   0  -0.814   5.3329  -0.0575   1.5748
 S30  C5    C  CR56  0  -0.267   3.1266   0.5882   0.8501
 S30  CAZ   C  CR5   0   0.129   3.0188   0.5839  -0.5650
 S30  CBD   C  CSP   0   0.201   4.0467   0.2628  -1.4847
 S30  CBF   C  CSP   0  -0.050   4.9864  -0.0208  -2.1810
 S30  CBG   C  CH2   0  -0.336   6.1461  -0.3707  -2.9911
 S30  OBH   O  OH1   0  -0.660   7.1579  -0.8263  -2.1251
 S30  HAT1  H  HCH3  0   0.242  -1.8399   0.9072  -2.6879
 S30  HAT2  H  HCH3  0   0.260  -3.5127   0.3933  -2.8235
 S30  HAT3  H  HCH3  0   0.262  -2.9754   1.8592  -3.6335
 S30  HAM   H  HCR6  0   0.260  -3.9727   3.7460  -2.6378
 S30  HAE   H  HCR6  0   0.264  -4.6013   5.0714  -0.6658
 S30  HAD   H  HCR6  0   0.265  -4.2247   4.1673   1.6146
 S30  HAC   H  HCR6  0   0.272  -3.2124   1.9216   1.8812
 S30  HAA1  H  HCH3  0   0.248  -5.1338  -2.9814  -1.0358
 S30  HAA2  H  HCH3  0   0.241  -5.1026  -4.4656  -0.0861
 S30  HAA3  H  HCH3  0   0.248  -5.3565  -2.9093   0.6996
 S30  HAF   H  HCR6  0   0.260  -3.1222  -5.4259   0.2515
 S30  HAN   H  HCR6  0   0.268  -0.6844  -5.4054   0.5588
 S30  HAO   H  HCR6  0   0.266   0.5530  -3.2497   0.5609
 S30  HAS1  H  HCH2  0   0.314  -0.4784   2.0861  -0.7382
 S30  HAS2  H  HCH2  0   0.315  -0.5455   2.0720   1.0111
 S30  H2    H  HCR6  0   0.258   2.2383   0.9170   4.4581
 S30  HBE1  H  HNH2  0   0.410   5.9738  -0.2545   2.3250
 S30  HBE2  H  HNH2  0   0.409   5.6583  -0.1815   0.6312
 S30  HBG1  H  HCH2  0   0.244   5.8495  -1.1305  -3.7249
 S30  HBG2  H  HCH2  0   0.246   6.4539   0.5135  -3.5630
 S30  HBH   H  HOH1  0   0.466   7.9372  -1.0096  -2.6594

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
 S30  CAT  CAL   single    1.499  0.020  1.499
 S30  CAL  CAM   aromatic  1.392  0.020  1.392
 S30  CAL  CAK   aromatic  1.394  0.020  1.394
 S30  CAM  CAE   aromatic  1.388  0.020  1.388
 S30  CAE  CAD   aromatic  1.387  0.020  1.387
 S30  CAD  CAC   aromatic  1.387  0.020  1.387
 S30  CAC  CAK   aromatic  1.386  0.020  1.386
 S30  CAK  NAJ   single    1.433  0.020  1.433
 S30  NAJ  CAI   single    1.398  0.020  1.398
 S30  NAJ  CAR   single    1.369  0.020  1.369
 S30  CAI  OAB   double    1.214  0.020  1.214
 S30  CAI  CAH   single    1.460  0.020  1.460
 S30  CAH  CAG   aromatic  1.414  0.020  1.414
 S30  CAH  CAP   aromatic  1.408  0.020  1.408
 S30  CAG  CAA   single    1.501  0.020  1.501
 S30  CAG  CAF   aromatic  1.386  0.020  1.386
 S30  CAF  CAN   aromatic  1.395  0.020  1.395
 S30  CAN  CAO   aromatic  1.375  0.020  1.375
 S30  CAO  CAP   aromatic  1.398  0.020  1.398
 S30  CAP  NAQ   single    1.375  0.020  1.375
 S30  NAQ  CAR   double    1.276  0.020  1.276
 S30  CAR  CAS   single    1.511  0.020  1.511
 S30  CAS  NAV   single    1.429  0.020  1.429
 S30  NAV  NAU   aromatic  1.339  0.020  1.339
 S30  NAV  C6    aromatic  1.349  0.020  1.349
 S30  NAU  CAZ   aromatic  1.314  0.020  1.314
 S30  C6   N1    aromatic  1.333  0.020  1.333
 S30  C6   C5    aromatic  1.390  0.020  1.390
 S30  N1   C2    aromatic  1.319  0.020  1.319
 S30  C2   N3    aromatic  1.332  0.020  1.332
 S30  N3   C4    aromatic  1.336  0.020  1.336
 S30  C4   NBE   single    1.330  0.020  1.330
 S30  C4   C5    aromatic  1.412  0.020  1.412
 S30  C5   CAZ   aromatic  1.419  0.020  1.419
 S30  CAZ  CBD   single    1.416  0.020  1.416
 S30  CBD  CBF   triple    1.203  0.020  1.203
 S30  CBF  CBG   single    1.457  0.020  1.457
 S30  CBG  OBH   single    1.408  0.020  1.408
 S30  CAT  HAT1  single    0.970  0.020  1.090
 S30  CAT  HAT2  single    0.970  0.020  1.090
 S30  CAT  HAT3  single    0.970  0.020  1.090
 S30  CAM  HAM   single    0.930  0.020  1.080
 S30  CAE  HAE   single    0.930  0.020  1.080
 S30  CAD  HAD   single    0.930  0.020  1.080
 S30  CAC  HAC   single    0.930  0.020  1.080
 S30  CAA  HAA1  single    0.970  0.020  1.090
 S30  CAA  HAA2  single    0.970  0.020  1.090
 S30  CAA  HAA3  single    0.970  0.020  1.090
 S30  CAF  HAF   single    0.930  0.020  1.080
 S30  CAN  HAN   single    0.930  0.020  1.080
 S30  CAO  HAO   single    0.930  0.020  1.080
 S30  CAS  HAS1  single    0.970  0.020  1.090
 S30  CAS  HAS2  single    0.970  0.020  1.090
 S30  C2   H2    single    0.930  0.020  1.080
 S30  NBE  HBE1  single    0.860  0.020  1.020
 S30  NBE  HBE2  single    0.860  0.020  1.020
 S30  CBG  HBG1  single    0.970  0.020  1.090
 S30  CBG  HBG2  single    0.970  0.020  1.090
 S30  OBH  HBH   single    0.850  0.020  0.980

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
 S30  HAT3  CAT  HAT2  107.61  3.000
 S30  HAT3  CAT  HAT1  107.51  3.000
 S30  HAT2  CAT  HAT1  107.08  3.000
 S30  HAT3  CAT  CAL   110.76  3.000
 S30  HAT2  CAT  CAL   111.17  3.000
 S30  HAT1  CAT  CAL   112.48  3.000
 S30  CAK   CAL  CAM   117.29  3.000
 S30  CAK   CAL  CAT   121.59  3.000
 S30  CAM   CAL  CAT   121.12  3.000
 S30  HAM   CAM  CAE   119.58  3.000
 S30  HAM   CAM  CAL   119.03  3.000
 S30  CAE   CAM  CAL   121.39  3.000
 S30  HAE   CAE  CAD   120.14  3.000
 S30  HAE   CAE  CAM   119.64  3.000
 S30  CAD   CAE  CAM   120.22  3.000
 S30  HAD   CAD  CAC   119.96  3.000
 S30  HAD   CAD  CAE   120.64  3.000
 S30  CAC   CAD  CAE   119.40  3.000
 S30  HAC   CAC  CAK   119.68  3.000
 S30  HAC   CAC  CAD   120.58  3.000
 S30  CAK   CAC  CAD   119.74  3.000
 S30  NAJ   CAK  CAC   118.83  3.000
 S30  NAJ   CAK  CAL   119.22  3.000
 S30  CAC   CAK  CAL   121.95  3.000
 S30  CAR   NAJ  CAI   122.40  3.000
 S30  CAR   NAJ  CAK   120.42  3.000
 S30  CAI   NAJ  CAK   117.18  3.000
 S30  CAH   CAI  OAB   126.28  3.000
 S30  CAH   CAI  NAJ   114.72  3.000
 S30  OAB   CAI  NAJ   119.01  3.000
 S30  CAP   CAH  CAG   120.17  3.000
 S30  CAP   CAH  CAI   117.73  3.000
 S30  CAG   CAH  CAI   122.10  3.000
 S30  CAF   CAG  CAA   118.17  3.000
 S30  CAF   CAG  CAH   117.84  3.000
 S30  CAA   CAG  CAH   123.99  3.000
 S30  HAA3  CAA  HAA2  107.96  3.000
 S30  HAA3  CAA  HAA1  107.03  3.000
 S30  HAA2  CAA  HAA1  108.04  3.000
 S30  HAA3  CAA  CAG   112.04  3.000
 S30  HAA2  CAA  CAG   109.63  3.000
 S30  HAA1  CAA  CAG   111.98  3.000
 S30  HAF   CAF  CAN   119.17  3.000
 S30  HAF   CAF  CAG   118.92  3.000
 S30  CAN   CAF  CAG   121.90  3.000
 S30  HAN   CAN  CAO   120.04  3.000
 S30  HAN   CAN  CAF   119.60  3.000
 S30  CAO   CAN  CAF   120.36  3.000
 S30  HAO   CAO  CAP   118.77  3.000
 S30  HAO   CAO  CAN   121.72  3.000
 S30  CAP   CAO  CAN   119.51  3.000
 S30  NAQ   CAP  CAO   117.19  3.000
 S30  NAQ   CAP  CAH   122.59  3.000
 S30  CAO   CAP  CAH   120.22  3.000
 S30  CAR   NAQ  CAP   118.72  3.000
 S30  CAS   CAR  NAQ   119.10  3.000
 S30  CAS   CAR  NAJ   117.05  3.000
 S30  NAQ   CAR  NAJ   123.85  3.000
 S30  HAS2  CAS  HAS1  106.71  3.000
 S30  HAS2  CAS  NAV   108.67  3.000
 S30  HAS1  CAS  NAV   108.63  3.000
 S30  HAS2  CAS  CAR   110.10  3.000
 S30  HAS1  CAS  CAR   111.61  3.000
 S30  NAV   CAS  CAR   110.98  3.000
 S30  C6    NAV  NAU   112.00  3.000
 S30  C6    NAV  CAS   126.91  3.000
 S30  NAU   NAV  CAS   120.46  3.000
 S30  CAZ   NAU  NAV   106.67  3.000
 S30  C5    C6   N1    126.17  3.000
 S30  C5    C6   NAV   106.39  3.000
 S30  N1    C6   NAV   127.44  3.000
 S30  C2    N1   C6    111.82  3.000
 S30  H2    C2   N3    115.20  3.000
 S30  H2    C2   N1    116.06  3.000
 S30  N3    C2   N1    128.75  3.000
 S30  C4    N3   C2    118.93  3.000
 S30  C5    C4   NBE   123.05  3.000
 S30  C5    C4   N3    118.07  3.000
 S30  NBE   C4   N3    118.89  3.000
 S30  HBE2  NBE  HBE1  117.99  3.000
 S30  HBE2  NBE  C4    122.10  3.000
 S30  HBE1  NBE  C4    119.89  3.000
 S30  CAZ   C5   C4    139.18  3.000
 S30  CAZ   C5   C6    104.55  3.000
 S30  C4    C5   C6    116.27  3.000
 S30  CBD   CAZ  C5    126.38  3.000
 S30  CBD   CAZ  NAU   123.26  3.000
 S30  C5    CAZ  NAU   110.36  3.000
 S30  CBF   CBD  CAZ   180.00  3.000
 S30  CBG   CBF  CBD   180.00  3.000
 S30  HBG2  CBG  HBG1  106.58  3.000
 S30  HBG2  CBG  OBH   112.33  3.000
 S30  HBG1  CBG  OBH   112.43  3.000
 S30  HBG2  CBG  CBF   108.63  3.000
 S30  HBG1  CBG  CBF   108.84  3.000
 S30  OBH   CBG  CBF   107.92  3.000
 S30  HBH   OBH  CBG   107.58  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
 S30  CONST_01  CAD   CAE  CAM  CAL     0.00   0.0  0
 S30  CONST_02  CAD   CAC  CAK  CAL     0.00   0.0  0
 S30  CONST_03  CAC   CAK  CAL  CAM     0.00   0.0  0
 S30  CONST_04  CAC   CAD  CAE  CAM     0.00   0.0  0
 S30  CONST_05  CAK   CAL  CAM  CAE     0.00   0.0  0
 S30  CONST_06  CAK   CAC  CAD  CAE     0.00   0.0  0
 S30  CONST_07  CAN   CAF  CAG  CAH     0.00   0.0  0
 S30  CONST_08  CAN   CAO  CAP  CAH     0.00   0.0  0
 S30  CONST_09  CAO   CAP  CAH  CAG     0.00   0.0  0
 S30  CONST_10  CAO   CAN  CAF  CAG     0.00   0.0  0
 S30  CONST_11  CAP   CAH  CAG  CAF     0.00   0.0  0
 S30  CONST_12  CAP   CAO  CAN  CAF     0.00   0.0  0
 S30  CONST_13  C5    CAZ  NAU  NAV     0.00   0.0  0
 S30  CONST_14  C2    N1   C6   NAV   180.00   0.0  0
 S30  CONST_15  C4    C5   C6   NAV   180.00   0.0  0
 S30  CONST_16  CAZ   C5   C6   NAV     0.00   0.0  0
 S30  CONST_17  N1    C6   NAV  NAU   180.00   0.0  0
 S30  CONST_18  C5    C6   NAV  NAU     0.00   0.0  0
 S30  CONST_19  C6    C5   CAZ  NAU     0.00   0.0  0
 S30  CONST_20  C4    C5   CAZ  NAU   180.00   0.0  0
 S30  CONST_21  CAZ   NAU  NAV  C6      0.00   0.0  0
 S30  CONST_22  N3    C2   N1   C6      0.00   0.0  0
 S30  CONST_23  N3    C4   C5   C6      0.00   0.0  0
 S30  CONST_24  C4    C5   C6   N1      0.00   0.0  0
 S30  CONST_25  CAZ   C5   C6   N1    180.00   0.0  0
 S30  CONST_26  C4    N3   C2   N1      0.00   0.0  0
 S30  CONST_27  C5    C6   N1   C2      0.00   0.0  0
 S30  CONST_28  C5    C4   N3   C2      0.00   0.0  0
 S30  CONST_29  CAZ   C5   C4   N3    180.00   0.0  0
 S30  CONST_30  NAJ   CAK  CAL  CAM   180.00   0.0  0
 S30  CONST_31  NAJ   CAK  CAC  CAD   180.00   0.0  0
 S30  CONST_32  CAH   CAI  NAJ  CAK   180.00   0.0  0
 S30  CONST_33  NAQ   CAR  NAJ  CAK   180.00   0.0  0
 S30  CONST_34  CAP   NAQ  CAR  NAJ     0.00   0.0  0
 S30  CONST_35  NAQ   CAR  NAJ  CAI     0.00   0.0  0
 S30  CONST_36  CAR   NAJ  CAI  CAH     0.00   0.0  0
 S30  CONST_37  CAE   CAM  CAL  CAT   180.00   0.0  0
 S30  CONST_38  CAC   CAK  CAL  CAT   180.00   0.0  0
 S30  CONST_39  NAJ   CAK  CAL  CAT     0.00   0.0  0
 S30  CONST_40  CAA   CAG  CAH  CAI     0.00   0.0  0
 S30  CONST_41  CAP   CAH  CAG  CAA   180.00   0.0  0
 S30  CONST_42  CAN   CAF  CAG  CAA   180.00   0.0  0
 S30  CONST_43  CAZ   NAU  NAV  CAS   180.00   0.0  0
 S30  CONST_44  N1    C6   NAV  CAS     0.00   0.0  0
 S30  CONST_45  C5    C6   NAV  CAS   180.00   0.0  0
 S30  CONST_46  CBD   CAZ  NAU  NAV   180.00   0.0  0
 S30  CONST_47  NBE   C4   C5   C6    180.00   0.0  0
 S30  CONST_48  CBD   CAZ  C5   C6    180.00   0.0  0
 S30  CONST_49  NBE   C4   N3   C2    180.00   0.0  0
 S30  CONST_50  CBD   CAZ  C5   C4      0.00   0.0  0
 S30  CONST_51  CAZ   C5   C4   NBE     0.00   0.0  0
 S30  CONST_52  OAB   CAI  NAJ  CAK     0.00   0.0  0
 S30  CONST_53  CAS   CAR  NAJ  CAK     0.00   0.0  0
 S30  CONST_54  CAS   CAR  NAJ  CAI   180.00   0.0  0
 S30  CONST_55  CAR   NAJ  CAI  OAB   180.00   0.0  0
 S30  CONST_56  CAS   CAR  NAQ  CAP   180.00   0.0  0
 S30  CONST_57  HAE   CAE  CAM  CAL   180.00   0.0  0
 S30  CONST_58  HAC   CAC  CAK  CAL   180.00   0.0  0
 S30  CONST_59  HAD   CAD  CAE  CAM   180.00   0.0  0
 S30  CONST_60  HAM   CAM  CAE  CAD   180.00   0.0  0
 S30  CONST_61  HAF   CAF  CAG  CAH   180.00   0.0  0
 S30  CONST_62  HAO   CAO  CAP  CAH   180.00   0.0  0
 S30  CONST_63  HAN   CAN  CAF  CAG   180.00   0.0  0
 S30  CONST_64  H2    C2   N1   C6    180.00   0.0  0
 S30  CONST_65  HBE1  NBE  C4   N3      0.00   0.0  0
 S30  CONST_66  HBE2  NBE  C4   N3    180.00   0.0  0
 S30  Var_01    CAI   NAJ  CAK  CAL   -86.46  30.0  2
 S30  Var_02    NAV   CAS  CAR  NAJ  -174.34  30.0  3
 S30  Var_03    NAU   NAV  CAS  CAR    84.11  30.0  2
 S30  Var_04    HAT1  CAT  CAL  CAM   128.42  30.0  2
 S30  Var_05    HAA1  CAA  CAG  CAH    58.70  30.0  2
 S30  Var_06    OBH   CBG  CBF  CBD     6.33  30.0  3

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
 S30  plan-1  CAT   0.020
 S30  plan-1  CAL   0.020
 S30  plan-1  CAM   0.020
 S30  plan-1  CAE   0.020
 S30  plan-1  CAD   0.020
 S30  plan-1  CAC   0.020
 S30  plan-1  CAK   0.020
 S30  plan-1  NAJ   0.020
 S30  plan-1  HAM   0.020
 S30  plan-1  HAE   0.020
 S30  plan-1  HAD   0.020
 S30  plan-1  HAC   0.020
 S30  plan-2  CAS   0.020
 S30  plan-2  NAV   0.020
 S30  plan-2  NAU   0.020
 S30  plan-2  C6    0.020
 S30  plan-2  N1    0.020
 S30  plan-2  C2    0.020
 S30  plan-2  N3    0.020
 S30  plan-2  C4    0.020
 S30  plan-2  NBE   0.020
 S30  plan-2  C5    0.020
 S30  plan-2  CAZ   0.020
 S30  plan-2  CBD   0.020
 S30  plan-2  CBF   0.020
 S30  plan-2  H2    0.020
 S30  plan-3  CAK   0.020
 S30  plan-3  NAJ   0.020
 S30  plan-3  CAI   0.020
 S30  plan-3  OAB   0.020
 S30  plan-3  CAH   0.020
 S30  plan-3  CAG   0.020
 S30  plan-3  CAA   0.020
 S30  plan-3  CAF   0.020
 S30  plan-3  CAN   0.020
 S30  plan-3  CAO   0.020
 S30  plan-3  CAP   0.020
 S30  plan-3  NAQ   0.020
 S30  plan-3  CAR   0.020
 S30  plan-3  CAS   0.020
 S30  plan-3  HAF   0.020
 S30  plan-3  HAN   0.020
 S30  plan-3  HAO   0.020
 S30  plan-4  C4    0.020
 S30  plan-4  NBE   0.020
 S30  plan-4  HBE1  0.020
 S30  plan-4  HBE2  0.020

