# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu May  7 08:13:57 2020
#   Inital geometry file: a 135 line input string
#   Ligand name: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: NC(=O)c1c(N)n(nc1c2cnc3cc(OC4CCC4)ccc3c2)C5CCCCC5
#
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
 UW3  UW3  5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide  ligand  57  30  .  2022-09-22  2023-02-15
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_UW3
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
 UW3  CAM  C  C     0  -0.477  -6.9440  -0.6821  -0.1367
 UW3  CAN  C  C     0  -0.448  -8.2468  -0.0167   0.3501
 UW3  CAO  C  C     0  -0.466  -8.0222   1.0925  -0.6963
 UW3  CAL  C  C     0  -0.015  -6.5640   0.6401  -0.8333
 UW3  OAK  O  O2    0  -0.474  -5.7458   1.4764  -0.0284
 UW3  CAC  C  CR6   0   0.390  -4.4437   1.1803   0.0904
 UW3  CAD  C  CR16  0  -0.440  -3.8135   0.1320  -0.5380
 UW3  CAB  C  CR16  0  -0.337  -3.7057   2.0559   0.9302
 UW3  CAA  C  CR16  0  -0.294  -2.3706   1.8680   1.1225
 UW3  CAF  C  CR66  0   0.068  -1.6930   0.7987   0.4893
 UW3  CAJ  C  CR16  0  -0.215  -0.3189   0.5560   0.6546
 UW3  CAE  C  CR66  0   0.237  -2.4292  -0.0726  -0.3489
 UW3  NAG  N  N     0  -0.431  -1.8381  -1.1099  -0.9889
 UW3  CAH  C  CR16  0  -0.103  -0.5601  -1.3061  -0.8126
 UW3  CAI  C  CR6   0  -0.092   0.2674  -0.5073   0.0131
 UW3  CAP  C  CR5   0   0.324   1.7080  -0.7672   0.1170
 UW3  NAT  N  N     0  -0.312   2.5478   0.2198  -0.0801
 UW3  CAQ  C  CR5   0  -0.396   2.3950  -1.9837   0.3718
 UW3  CAW  C  C     0   0.451   1.9362  -3.3277   0.7153
 UW3  OAY  O  O     0  -0.508   2.6900  -4.2993   0.6317
 UW3  NAX  N  NH2   0  -0.818   0.6632  -3.4586   1.1331
 UW3  CAR  C  CR5   0   0.620   3.7464  -1.6283   0.2948
 UW3  NAV  N  NH2   0  -0.857   4.8528  -2.3863   0.5185
 UW3  NAS  N  NR5   0  -0.357   3.7806  -0.3096   0.0420
 UW3  CAU  C  CH1   0  -0.086   4.9379   0.5642  -0.0655
 UW3  CAZ  C  CH2   0  -0.425   4.9254   1.6108   1.0455
 UW3  CBA  C  CH2   0  -0.441   6.1401   2.5274   0.9402
 UW3  CBB  C  CH2   0  -0.433   6.2251   3.1794  -0.4356
 UW3  CBC  C  CH2   0  -0.443   6.2343   2.1284  -1.5399
 UW3  CBD  C  CH2   0  -0.424   5.0219   1.2062  -1.4477
 UW3  H1   H  H     0   0.250  -6.2558  -1.0704   0.6149
 UW3  H2   H  H     0   0.245  -7.1282  -1.4670  -0.8713
 UW3  H3   H  H     0   0.237  -9.1628  -0.6003   0.2672
 UW3  H4   H  H     0   0.234  -8.1651   0.3536   1.3720
 UW3  H5   H  H     0   0.246  -8.5721   0.9034  -1.6181
 UW3  H6   H  H     0   0.246  -8.1880   2.1284  -0.3989
 UW3  H7   H  H     0   0.249  -6.1511   0.5787  -1.8451
 UW3  H8   H  HCR6  0   0.282  -4.3391  -0.5598  -1.1825
 UW3  H9   H  HCR6  0   0.272  -4.2228   2.8755   1.4126
 UW3  H10  H  HCR6  0   0.267  -1.8151   2.5413   1.7636
 UW3  H11  H  HCR6  0   0.266   0.2677   1.2051   1.2941
 UW3  H12  H  HCR6  0   0.263  -0.1199  -2.1371  -1.3554
 UW3  H13  H  HNH2  0   0.408   0.1010  -2.6659   1.3901
 UW3  H14  H  HNH2  0   0.401   0.3341  -4.3631   1.4286
 UW3  H15  H  HNH2  0   0.399   4.6657  -3.3764   0.4709
 UW3  H16  H  HNH2  0   0.396   5.6948  -2.1268   0.0293
 UW3  H17  H  HCH1  0   0.244   5.8213  -0.0651   0.0716
 UW3  H18  H  HCH2  0   0.229   4.0099   2.2043   0.9669
 UW3  H19  H  HCH2  0   0.241   4.9031   1.1126   2.0178
 UW3  H20  H  HCH2  0   0.236   6.0915   3.2885   1.7216
 UW3  H21  H  HCH2  0   0.216   7.0525   1.9505   1.1257
 UW3  H22  H  HCH2  0   0.214   5.3675   3.8463  -0.5737
 UW3  H23  H  HCH2  0   0.233   7.1191   3.8037  -0.5019
 UW3  H24  H  HCH2  0   0.237   6.2559   2.6059  -2.5218
 UW3  H25  H  HCH2  0   0.217   7.1506   1.5326  -1.4657
 UW3  H26  H  HCH2  0   0.241   5.0759   0.4273  -2.2120
 UW3  H27  H  HCH2  0   0.229   4.1070   1.7756  -1.6332

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
 UW3  CAB  CAA  aromatic  1.362  0.020  1.362
 UW3  CAB  CAC  aromatic  1.420  0.020  1.420
 UW3  CAA  CAF  aromatic  1.415  0.020  1.415
 UW3  OAK  CAC  single    1.341  0.020  1.341
 UW3  OAK  CAL  single    1.420  0.020  1.420
 UW3  CAO  CAL  single    1.533  0.020  1.533
 UW3  CAO  CAN  single    1.541  0.020  1.541
 UW3  CAC  CAD  aromatic  1.375  0.020  1.375
 UW3  CAF  CAJ  aromatic  1.405  0.020  1.405
 UW3  CAF  CAE  aromatic  1.416  0.020  1.416
 UW3  CAL  CAM  single    1.542  0.020  1.542
 UW3  CAJ  CAI  aromatic  1.373  0.020  1.373
 UW3  CAD  CAE  aromatic  1.412  0.020  1.412
 UW3  CAE  NAG  aromatic  1.355  0.020  1.355
 UW3  CAN  CAM  single    1.542  0.020  1.542
 UW3  CAI  CAP  single    1.468  0.020  1.468
 UW3  CAI  CAH  aromatic  1.416  0.020  1.416
 UW3  NAX  CAW  single    1.346  0.020  1.346
 UW3  CAW  CAQ  single    1.461  0.020  1.461
 UW3  CAW  OAY  double    1.233  0.020  1.233
 UW3  CAP  CAQ  aromatic  1.420  0.020  1.420
 UW3  CAP  NAT  aromatic  1.311  0.020  1.311
 UW3  CAQ  CAR  aromatic  1.399  0.020  1.399
 UW3  NAG  CAH  aromatic  1.305  0.020  1.305
 UW3  CAZ  CBA  single    1.525  0.020  1.525
 UW3  CAZ  CAU  single    1.526  0.020  1.526
 UW3  NAT  NAS  aromatic  1.347  0.020  1.347
 UW3  CAR  NAS  aromatic  1.343  0.020  1.343
 UW3  CAR  NAV  single    1.360  0.020  1.360
 UW3  NAS  CAU  single    1.454  0.020  1.454
 UW3  CBA  CBB  single    1.525  0.020  1.525
 UW3  CAU  CBD  single    1.526  0.020  1.526
 UW3  CBB  CBC  single    1.524  0.020  1.524
 UW3  CBD  CBC  single    1.526  0.020  1.526
 UW3  CAM  H1   single    0.970  0.020  1.090
 UW3  CAM  H2   single    0.970  0.020  1.090
 UW3  CAN  H3   single    0.970  0.020  1.090
 UW3  CAN  H4   single    0.970  0.020  1.090
 UW3  CAO  H5   single    0.970  0.020  1.090
 UW3  CAO  H6   single    0.970  0.020  1.090
 UW3  CAL  H7   single    0.970  0.020  1.090
 UW3  CAD  H8   single    0.930  0.020  1.080
 UW3  CAB  H9   single    0.930  0.020  1.080
 UW3  CAA  H10  single    0.930  0.020  1.080
 UW3  CAJ  H11  single    0.930  0.020  1.080
 UW3  CAH  H12  single    0.930  0.020  1.080
 UW3  NAX  H13  single    0.860  0.020  1.020
 UW3  NAX  H14  single    0.860  0.020  1.020
 UW3  NAV  H15  single    0.890  0.020  1.040
 UW3  NAV  H16  single    0.890  0.020  1.040
 UW3  CAU  H17  single    0.970  0.020  1.090
 UW3  CAZ  H18  single    0.970  0.020  1.090
 UW3  CAZ  H19  single    0.970  0.020  1.090
 UW3  CBA  H20  single    0.970  0.020  1.090
 UW3  CBA  H21  single    0.970  0.020  1.090
 UW3  CBB  H22  single    0.970  0.020  1.090
 UW3  CBB  H23  single    0.970  0.020  1.090
 UW3  CBC  H24  single    0.970  0.020  1.090
 UW3  CBC  H25  single    0.970  0.020  1.090
 UW3  CBD  H26  single    0.970  0.020  1.090
 UW3  CBD  H27  single    0.970  0.020  1.090

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
 UW3  H2   CAM  H1   108.33  3.000
 UW3  H2   CAM  CAL  110.76  3.000
 UW3  H1   CAM  CAL  117.46  3.000
 UW3  H2   CAM  CAN  112.36  3.000
 UW3  H1   CAM  CAN  117.99  3.000
 UW3  CAL  CAM  CAN   88.90  3.000
 UW3  H4   CAN  H3   108.45  3.000
 UW3  H4   CAN  CAO  112.40  3.000
 UW3  H3   CAN  CAO  117.16  3.000
 UW3  H4   CAN  CAM  112.29  3.000
 UW3  H3   CAN  CAM  117.09  3.000
 UW3  CAO  CAN  CAM   88.46  3.000
 UW3  H6   CAO  H5   108.59  3.000
 UW3  H6   CAO  CAL  116.70  3.000
 UW3  H5   CAO  CAL  110.68  3.000
 UW3  H6   CAO  CAN  118.45  3.000
 UW3  H5   CAO  CAN  112.08  3.000
 UW3  CAL  CAO  CAN   89.25  3.000
 UW3  H7   CAL  OAK  109.85  3.000
 UW3  H7   CAL  CAO  117.26  3.000
 UW3  OAK  CAL  CAO  108.88  3.000
 UW3  H7   CAL  CAM  117.55  3.000
 UW3  CAO  CAL  CAM   88.76  3.000
 UW3  OAK  CAL  CAM  113.01  3.000
 UW3  CAC  OAK  CAL  118.67  3.000
 UW3  CAB  CAC  CAD  120.14  3.000
 UW3  CAD  CAC  OAK  124.96  3.000
 UW3  CAB  CAC  OAK  114.89  3.000
 UW3  H8   CAD  CAE  117.61  3.000
 UW3  H8   CAD  CAC  122.49  3.000
 UW3  CAE  CAD  CAC  119.90  3.000
 UW3  H9   CAB  CAA  120.65  3.000
 UW3  H9   CAB  CAC  118.82  3.000
 UW3  CAA  CAB  CAC  120.52  3.000
 UW3  H10  CAA  CAF  119.27  3.000
 UW3  H10  CAA  CAB  120.04  3.000
 UW3  CAF  CAA  CAB  120.69  3.000
 UW3  CAE  CAF  CAJ  118.16  3.000
 UW3  CAE  CAF  CAA  118.75  3.000
 UW3  CAJ  CAF  CAA  123.09  3.000
 UW3  H11  CAJ  CAI  120.55  3.000
 UW3  H11  CAJ  CAF  119.69  3.000
 UW3  CAI  CAJ  CAF  119.76  3.000
 UW3  NAG  CAE  CAF  121.61  3.000
 UW3  NAG  CAE  CAD  118.39  3.000
 UW3  CAF  CAE  CAD  120.00  3.000
 UW3  CAH  NAG  CAE  118.60  3.000
 UW3  H12  CAH  CAI  119.10  3.000
 UW3  H12  CAH  NAG  116.40  3.000
 UW3  CAI  CAH  NAG  124.50  3.000
 UW3  CAP  CAI  CAH  121.00  3.000
 UW3  CAH  CAI  CAJ  117.37  3.000
 UW3  CAP  CAI  CAJ  121.55  3.000
 UW3  CAQ  CAP  NAT  111.22  3.000
 UW3  NAT  CAP  CAI  119.01  3.000
 UW3  CAQ  CAP  CAI  129.74  3.000
 UW3  NAS  NAT  CAP  106.07  3.000
 UW3  CAR  CAQ  CAW  123.35  3.000
 UW3  CAR  CAQ  CAP  103.87  3.000
 UW3  CAW  CAQ  CAP  132.70  3.000
 UW3  NAX  CAW  OAY  121.51  3.000
 UW3  OAY  CAW  CAQ  121.14  3.000
 UW3  NAX  CAW  CAQ  117.35  3.000
 UW3  H14  NAX  H13  116.79  3.000
 UW3  H14  NAX  CAW  119.18  3.000
 UW3  H13  NAX  CAW  122.11  3.000
 UW3  NAS  CAR  NAV  123.89  3.000
 UW3  NAV  CAR  CAQ  129.43  3.000
 UW3  NAS  CAR  CAQ  106.52  3.000
 UW3  H16  NAV  H15  112.63  3.000
 UW3  H16  NAV  CAR  117.16  3.000
 UW3  H15  NAV  CAR  112.86  3.000
 UW3  CAU  NAS  CAR  128.62  3.000
 UW3  CAU  NAS  NAT  119.05  3.000
 UW3  CAR  NAS  NAT  112.30  3.000
 UW3  H17  CAU  CBD  108.13  3.000
 UW3  H17  CAU  CAZ  108.06  3.000
 UW3  CBD  CAU  CAZ  111.79  3.000
 UW3  H17  CAU  NAS  106.74  3.000
 UW3  CBD  CAU  NAS  111.31  3.000
 UW3  CAZ  CAU  NAS  110.59  3.000
 UW3  H19  CAZ  H18  107.11  3.000
 UW3  H19  CAZ  CBA  110.59  3.000
 UW3  H18  CAZ  CBA  109.60  3.000
 UW3  H19  CAZ  CAU  109.59  3.000
 UW3  H18  CAZ  CAU  109.06  3.000
 UW3  CBA  CAZ  CAU  110.80  3.000
 UW3  H21  CBA  H20  106.44  3.000
 UW3  H21  CBA  CBB  109.36  3.000
 UW3  H20  CBA  CBB  110.50  3.000
 UW3  H21  CBA  CAZ  109.58  3.000
 UW3  H20  CBA  CAZ  109.51  3.000
 UW3  CBB  CBA  CAZ  111.32  3.000
 UW3  H23  CBB  H22  106.56  3.000
 UW3  H23  CBB  CBC  110.19  3.000
 UW3  H22  CBB  CBC  109.46  3.000
 UW3  H23  CBB  CBA  110.17  3.000
 UW3  H22  CBB  CBA  109.30  3.000
 UW3  CBC  CBB  CBA  111.05  3.000
 UW3  H25  CBC  H24  106.38  3.000
 UW3  H25  CBC  CBD  109.38  3.000
 UW3  H24  CBC  CBD  109.53  3.000
 UW3  H25  CBC  CBB  109.32  3.000
 UW3  H24  CBC  CBB  110.49  3.000
 UW3  CBD  CBC  CBB  111.59  3.000
 UW3  H27  CBD  H26  107.09  3.000
 UW3  H27  CBD  CBC  109.87  3.000
 UW3  H26  CBD  CBC  110.44  3.000
 UW3  H27  CBD  CAU  109.07  3.000
 UW3  H26  CBD  CAU  109.65  3.000
 UW3  CBC  CBD  CAU  110.65  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
 UW3  CONST_01  CAF  CAA  CAB  CAC     0.00   0.0  0
 UW3  CONST_02  CAF  CAE  CAD  CAC     0.00   0.0  0
 UW3  CONST_03  NAG  CAE  CAD  CAC   180.00   0.0  0
 UW3  CONST_04  CAA  CAB  CAC  CAD     0.00   0.0  0
 UW3  CONST_05  CAA  CAF  CAE  CAD     0.00   0.0  0
 UW3  CONST_06  CAJ  CAF  CAE  CAD   180.00   0.0  0
 UW3  CONST_07  CAH  NAG  CAE  CAD   180.00   0.0  0
 UW3  CONST_08  CAJ  CAF  CAA  CAB   180.00   0.0  0
 UW3  CONST_09  CAE  CAF  CAA  CAB     0.00   0.0  0
 UW3  CONST_10  CAE  CAD  CAC  CAB     0.00   0.0  0
 UW3  CONST_11  CAI  CAJ  CAF  CAA   180.00   0.0  0
 UW3  CONST_12  NAG  CAE  CAF  CAA   180.00   0.0  0
 UW3  CONST_13  CAP  CAI  CAJ  CAF   180.00   0.0  0
 UW3  CONST_14  CAH  CAI  CAJ  CAF     0.00   0.0  0
 UW3  CONST_15  CAH  NAG  CAE  CAF     0.00   0.0  0
 UW3  CONST_16  NAG  CAE  CAF  CAJ     0.00   0.0  0
 UW3  CONST_19  NAG  CAH  CAI  CAJ     0.00   0.0  0
 UW3  CONST_20  CAI  CAJ  CAF  CAE     0.00   0.0  0
 UW3  CONST_21  CAI  CAH  NAG  CAE     0.00   0.0  0
 UW3  CONST_22  CAP  CAI  CAH  NAG   180.00   0.0  0
 UW3  CONST_25  CAR  CAQ  CAP  CAI   180.00   0.0  0
 UW3  CONST_26  NAS  NAT  CAP  CAI   180.00   0.0  0
 UW3  CONST_27  NAS  CAR  CAQ  CAP     0.00   0.0  0
 UW3  CONST_28  CAR  NAS  NAT  CAP     0.00   0.0  0
 UW3  CONST_29  CAR  CAQ  CAP  NAT     0.00   0.0  0
 UW3  CONST_30  CAQ  CAR  NAS  NAT     0.00   0.0  0
 UW3  CONST_31  NAS  NAT  CAP  CAQ     0.00   0.0  0
 UW3  CONST_32  CAU  NAS  NAT  CAP   180.00   0.0  0
 UW3  CONST_33  CAU  NAS  CAR  CAQ   180.00   0.0  0
 UW3  CONST_34  CAA  CAB  CAC  OAK   180.00   0.0  0
 UW3  CONST_35  CAE  CAD  CAC  OAK   180.00   0.0  0
 UW3  CONST_36  CAW  CAQ  CAP  CAI     0.00   0.0  0
 UW3  CONST_37  NAV  CAR  CAQ  CAP   180.00   0.0  0
 UW3  CONST_38  CAW  CAQ  CAP  NAT   180.00   0.0  0
 UW3  CONST_39  NAV  CAR  NAS  NAT   180.00   0.0  0
 UW3  CONST_40  NAS  CAR  CAQ  CAW   180.00   0.0  0
 UW3  CONST_41  CAU  NAS  CAR  NAV     0.00   0.0  0
 UW3  CONST_42  H10  CAA  CAB  CAC   180.00   0.0  0
 UW3  CONST_43  H9   CAB  CAC  CAD   180.00   0.0  0
 UW3  CONST_44  H8   CAD  CAC  CAB   180.00   0.0  0
 UW3  CONST_45  H11  CAJ  CAF  CAA     0.00   0.0  0
 UW3  CONST_46  H12  CAH  CAI  CAJ   180.00   0.0  0
 UW3  CONST_49  H13  NAX  CAW  CAQ     0.00   0.0  0
 UW3  CONST_50  H14  NAX  CAW  CAQ   180.00   0.0  0
 UW3  Var_01    CAL  CAO  CAN  CAM   -16.22  30.0  1
 UW3  Var_02    CBB  CBA  CAZ  CAU    55.50  30.0  1
 UW3  Var_03    CBB  CBC  CBD  CAU   -55.24  30.0  1
 UW3  Var_04    CBC  CBB  CBA  CAZ   -55.69  30.0  1
 UW3  Var_05    CBD  CBC  CBB  CBA    55.67  30.0  1
 UW3  Var_06    CAB  CAC  OAK  CAL  -179.03  30.0  2
 UW3  Var_07    NAX  CAW  CAQ  CAP   -15.16  30.0  2

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
 UW3  chir_01  CAL  OAK  CAO  CAM  positiv
 UW3  chir_02  CAU  CAZ  NAS  CBD  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
 UW3  plan-1  CAI  0.020
 UW3  plan-1  CAP  0.020
 UW3  plan-1  NAT  0.020
 UW3  plan-1  CAQ  0.020
 UW3  plan-1  CAW  0.020
 UW3  plan-1  CAR  0.020
 UW3  plan-1  NAV  0.020
 UW3  plan-1  NAS  0.020
 UW3  plan-1  CAU  0.020
 UW3  plan-2  CAR  0.020
 UW3  plan-2  NAV  0.020
 UW3  plan-2  H15  0.020
 UW3  plan-2  H16  0.020
 UW3  plan-3  CAQ  0.020
 UW3  plan-3  CAW  0.020
 UW3  plan-3  OAY  0.020
 UW3  plan-3  NAX  0.020
 UW3  plan-3  H13  0.020
 UW3  plan-3  H14  0.020
 UW3  plan-4  OAK  0.020
 UW3  plan-4  CAC  0.020
 UW3  plan-4  CAD  0.020
 UW3  plan-4  CAB  0.020
 UW3  plan-4  CAA  0.020
 UW3  plan-4  CAF  0.020
 UW3  plan-4  CAJ  0.020
 UW3  plan-4  CAE  0.020
 UW3  plan-4  NAG  0.020
 UW3  plan-4  CAH  0.020
 UW3  plan-4  CAI  0.020
 UW3  plan-4  CAP  0.020
 UW3  plan-4  H8   0.020
 UW3  plan-4  H9   0.020
 UW3  plan-4  H10  0.020
 UW3  plan-4  H11  0.020
 UW3  plan-4  H12  0.020

