# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr  4 02:37:22 2020
#   Inital geometry file: a 136 line input string
#   Ligand name: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCC(O)(CC)c1ccc2c([nH]c(c3n[nH]c4ccsc34)c2c5ccc(OC)cc5)c1
#
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
 0G1  0G1  3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol  ligand  56  31  .  2021-08-03  2021-08-03  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_0G1
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
 0G1  CBE  C  CH3   0  -0.405  -4.9996  -5.3017   0.0574
 0G1  OBD  O  O2    0  -0.469  -4.0274  -4.8966  -0.8850
 0G1  CBA  C  CR6   0   0.373  -3.2345  -3.8509  -0.5802
 0G1  CBB  C  CR16  0  -0.314  -2.2735  -3.5012  -1.5316
 0G1  CBC  C  CR16  0  -0.298  -1.4166  -2.4436  -1.2970
 0G1  CAZ  C  CR16  0  -0.366  -3.3131  -3.1208   0.6024
 0G1  CAY  C  CR16  0  -0.264  -2.4421  -2.0601   0.8218
 0G1  CAX  C  CR6   0  -0.009  -1.4832  -1.6936  -0.1172
 0G1  CAG  C  CR5   0   0.014  -0.5379  -0.5938   0.1043
 0G1  CAH  C  CR56  0   0.076   0.8874  -0.6982  -0.0273
 0G1  CAA  C  CR16  0  -0.342   1.7707  -1.7544  -0.2802
 0G1  CAB  C  CR16  0  -0.275   3.1255  -1.5029  -0.3109
 0G1  CAC  C  CR6   0   0.087   3.6579  -0.2125  -0.0940
 0G1  CAJ  C  CT    0   0.179   5.1697   0.0018  -0.1264
 0G1  CAK  C  CH2   0  -0.415   5.8192  -0.7308   1.0552
 0G1  CAO  C  CH3   0  -0.650   5.3139  -0.2931   2.4230
 0G1  CAM  C  CH2   0  -0.437   5.7259  -0.5026  -1.4723
 0G1  CAN  C  CH3   0  -0.650   7.2235  -0.3056  -1.6716
 0G1  OAL  O  OH1   0  -0.638   5.4879   1.3699   0.0349
 0G1  CAD  C  CR16  0  -0.380   2.7979   0.8375   0.1693
 0G1  CAI  C  CR56  0   0.398   1.4280   0.5804   0.1923
 0G1  NAE  N  NR15  0  -0.777   0.3862   1.4251   0.4309
 0G1  CAF  C  CR5   0   0.309  -0.7979   0.7278   0.3966
 0G1  CAP  C  CR5   0   0.168  -2.0349   1.4693   0.5507
 0G1  CAT  C  CR55  0  -0.340  -2.2850   2.7976   0.1404
 0G1  SAS  S  S2    0   0.210  -1.5822   4.1533  -0.6556
 0G1  CAW  C  CR15  0  -0.440  -3.0656   5.0409  -0.4796
 0G1  CAV  C  CR15  0  -0.164  -4.0590   4.3545   0.1406
 0G1  CAU  C  CR55  0   0.403  -3.5974   3.0551   0.4944
 0G1  NAR  N  NR15  0  -0.523  -4.0529   1.9276   1.0741
 0G1  NAQ  N  N     0  -0.245  -3.1240   0.9766   1.1215
 0G1  H1   H  HCH3  0   0.215  -5.7367  -4.5170   0.2481
 0G1  H2   H  HCH3  0   0.246  -5.5077  -6.1616  -0.3720
 0G1  H3   H  HCH3  0   0.216  -4.5487  -5.5978   1.0081
 0G1  H4   H  HCR6  0   0.240  -2.2082  -4.0620  -2.4559
 0G1  H5   H  HCR6  0   0.235  -0.6853  -2.1872  -2.0539
 0G1  H6   H  HCR6  0   0.252  -4.0358  -3.3644   1.3694
 0G1  H7   H  HCR6  0   0.241  -2.5138  -1.5139   1.7514
 0G1  H8   H  HCR6  0   0.219   1.4027  -2.7599  -0.4442
 0G1  H9   H  HCR6  0   0.208   3.7959  -2.3332  -0.4961
 0G1  H10  H  HCH2  0   0.208   5.6517  -1.8033   0.9295
 0G1  H11  H  HCH2  0   0.230   6.9015  -0.5862   1.0060
 0G1  H12  H  HCH3  0   0.228   4.2451  -0.4785   2.5353
 0G1  H13  H  HCH3  0   0.215   5.8292  -0.8439   3.2107
 0G1  H14  H  HCH3  0   0.230   5.4885   0.7684   2.5959
 0G1  H15  H  HCH2  0   0.218   5.4864  -1.5610  -1.5894
 0G1  H16  H  HCH2  0   0.216   5.1851   0.0115  -2.2750
 0G1  H17  H  HCH3  0   0.220   7.5205   0.7343  -1.5352
 0G1  H18  H  HCH3  0   0.218   7.8151  -0.9141  -0.9878
 0G1  H19  H  HCH3  0   0.222   7.5047  -0.5960  -2.6842
 0G1  H20  H  HOH1  0   0.416   5.2184   1.8417  -0.7610
 0G1  H21  H  HCR6  0   0.219   3.1682   1.8336   0.3720
 0G1  H22  H  HNR5  0   0.372   0.4810   2.3809   0.7346
 0G1  H23  H  HCR5  0   0.269  -3.1167   6.0494  -0.8614
 0G1  H24  H  HCR5  0   0.245  -5.0458   4.7502   0.3276
 0G1  H25  H  HNR5  0   0.383  -4.9616   1.7556   1.4734

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
 0G1  CAV  CAW  aromatic  1.357  0.020  1.357
 0G1  CAV  CAU  aromatic  1.424  0.020  1.424
 0G1  CAW  SAS  aromatic  1.738  0.020  1.738
 0G1  NAR  CAU  aromatic  1.347  0.020  1.347
 0G1  NAR  NAQ  aromatic  1.330  0.020  1.330
 0G1  CAU  CAT  aromatic  1.384  0.020  1.384
 0G1  NAQ  CAP  aromatic  1.325  0.020  1.325
 0G1  CAT  SAS  aromatic  1.722  0.020  1.722
 0G1  CAT  CAP  aromatic  1.413  0.020  1.413
 0G1  CAP  CAF  single    1.450  0.020  1.450
 0G1  CAF  NAE  aromatic  1.375  0.020  1.375
 0G1  CAF  CAG  aromatic  1.378  0.020  1.378
 0G1  NAE  CAI  aromatic  1.362  0.020  1.362
 0G1  CAY  CAZ  aromatic  1.390  0.020  1.390
 0G1  CAY  CAX  aromatic  1.391  0.020  1.391
 0G1  CAZ  CBA  aromatic  1.392  0.020  1.392
 0G1  CAG  CAX  single    1.467  0.020  1.467
 0G1  CAG  CAH  aromatic  1.435  0.020  1.435
 0G1  CBE  OBD  single    1.413  0.020  1.413
 0G1  CAX  CBC  aromatic  1.400  0.020  1.400
 0G1  CAI  CAH  aromatic  1.405  0.020  1.405
 0G1  CAI  CAD  aromatic  1.394  0.020  1.394
 0G1  CAN  CAM  single    1.524  0.020  1.524
 0G1  CAH  CAA  aromatic  1.400  0.020  1.400
 0G1  CBA  OBD  single    1.347  0.020  1.347
 0G1  CBA  CBB  aromatic  1.397  0.020  1.397
 0G1  CAD  CAC  aromatic  1.383  0.020  1.383
 0G1  CBC  CBB  aromatic  1.381  0.020  1.381
 0G1  CAA  CAB  aromatic  1.378  0.020  1.378
 0G1  CAC  CAB  aromatic  1.413  0.020  1.413
 0G1  CAC  CAJ  single    1.527  0.020  1.527
 0G1  CAM  CAJ  single    1.541  0.020  1.541
 0G1  OAL  CAJ  single    1.414  0.020  1.414
 0G1  CAJ  CAK  single    1.534  0.020  1.534
 0G1  CAK  CAO  single    1.522  0.020  1.522
 0G1  CBE  H1   single    0.970  0.020  1.090
 0G1  CBE  H2   single    0.970  0.020  1.090
 0G1  CBE  H3   single    0.970  0.020  1.090
 0G1  CBB  H4   single    0.930  0.020  1.080
 0G1  CBC  H5   single    0.930  0.020  1.080
 0G1  CAZ  H6   single    0.930  0.020  1.080
 0G1  CAY  H7   single    0.930  0.020  1.080
 0G1  CAA  H8   single    0.930  0.020  1.080
 0G1  CAB  H9   single    0.930  0.020  1.080
 0G1  CAK  H10  single    0.970  0.020  1.090
 0G1  CAK  H11  single    0.970  0.020  1.090
 0G1  CAO  H12  single    0.970  0.020  1.090
 0G1  CAO  H13  single    0.970  0.020  1.090
 0G1  CAO  H14  single    0.970  0.020  1.090
 0G1  CAM  H15  single    0.970  0.020  1.090
 0G1  CAM  H16  single    0.970  0.020  1.090
 0G1  CAN  H17  single    0.970  0.020  1.090
 0G1  CAN  H18  single    0.970  0.020  1.090
 0G1  CAN  H19  single    0.970  0.020  1.090
 0G1  OAL  H20  single    0.850  0.020  0.980
 0G1  CAD  H21  single    0.930  0.020  1.080
 0G1  NAE  H22  single    0.860  0.020  1.020
 0G1  CAW  H23  single    0.930  0.020  1.080
 0G1  CAV  H24  single    0.930  0.020  1.080
 0G1  NAR  H25  single    0.860  0.020  1.020

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
 0G1  H3   CBE  H2   108.79  3.000
 0G1  H3   CBE  H1   108.71  3.000
 0G1  H2   CBE  H1   108.75  3.000
 0G1  H3   CBE  OBD  111.95  3.000
 0G1  H2   CBE  OBD  106.55  3.000
 0G1  H1   CBE  OBD  111.98  3.000
 0G1  CBA  OBD  CBE  118.45  3.000
 0G1  CAZ  CBA  CBB  119.09  3.000
 0G1  CBB  CBA  OBD  116.43  3.000
 0G1  CAZ  CBA  OBD  124.48  3.000
 0G1  H4   CBB  CBC  120.26  3.000
 0G1  H4   CBB  CBA  119.55  3.000
 0G1  CBC  CBB  CBA  120.19  3.000
 0G1  H5   CBC  CAX  119.62  3.000
 0G1  H5   CBC  CBB  118.78  3.000
 0G1  CAX  CBC  CBB  121.60  3.000
 0G1  H6   CAZ  CAY  118.60  3.000
 0G1  H6   CAZ  CBA  121.47  3.000
 0G1  CAY  CAZ  CBA  119.93  3.000
 0G1  H7   CAY  CAX  119.55  3.000
 0G1  H7   CAY  CAZ  118.68  3.000
 0G1  CAX  CAY  CAZ  121.77  3.000
 0G1  CAG  CAX  CAY  122.66  3.000
 0G1  CAG  CAX  CBC  119.89  3.000
 0G1  CAY  CAX  CBC  117.42  3.000
 0G1  CAF  CAG  CAH  106.05  3.000
 0G1  CAH  CAG  CAX  124.86  3.000
 0G1  CAF  CAG  CAX  129.00  3.000
 0G1  CAI  CAH  CAA  118.16  3.000
 0G1  CAA  CAH  CAG  134.27  3.000
 0G1  CAI  CAH  CAG  107.55  3.000
 0G1  H8   CAA  CAB  120.00  3.000
 0G1  H8   CAA  CAH  120.89  3.000
 0G1  CAB  CAA  CAH  119.11  3.000
 0G1  H9   CAB  CAC  119.55  3.000
 0G1  H9   CAB  CAA  118.18  3.000
 0G1  CAC  CAB  CAA  122.26  3.000
 0G1  CAD  CAC  CAJ  120.88  3.000
 0G1  CAJ  CAC  CAB  119.87  3.000
 0G1  CAD  CAC  CAB  119.24  3.000
 0G1  OAL  CAJ  CAM  109.58  3.000
 0G1  OAL  CAJ  CAK  106.19  3.000
 0G1  CAM  CAJ  CAK  111.31  3.000
 0G1  CAK  CAJ  CAC  109.61  3.000
 0G1  OAL  CAJ  CAC  110.87  3.000
 0G1  CAM  CAJ  CAC  109.26  3.000
 0G1  H11  CAK  H10  106.04  3.000
 0G1  H11  CAK  CAO  109.33  3.000
 0G1  H10  CAK  CAO  109.55  3.000
 0G1  H11  CAK  CAJ  108.74  3.000
 0G1  H10  CAK  CAJ  108.37  3.000
 0G1  CAO  CAK  CAJ  114.46  3.000
 0G1  H14  CAO  H13  107.56  3.000
 0G1  H14  CAO  H12  107.83  3.000
 0G1  H13  CAO  H12  107.63  3.000
 0G1  H14  CAO  CAK  111.68  3.000
 0G1  H13  CAO  CAK  110.30  3.000
 0G1  H12  CAO  CAK  111.65  3.000
 0G1  H16  CAM  H15  105.55  3.000
 0G1  H16  CAM  CAN  109.18  3.000
 0G1  H15  CAM  CAN  109.09  3.000
 0G1  H16  CAM  CAJ  107.94  3.000
 0G1  H15  CAM  CAJ  109.38  3.000
 0G1  CAN  CAM  CAJ  115.25  3.000
 0G1  H19  CAN  H18  107.10  3.000
 0G1  H19  CAN  H17  107.46  3.000
 0G1  H18  CAN  H17  107.82  3.000
 0G1  H19  CAN  CAM  109.91  3.000
 0G1  H18  CAN  CAM  112.29  3.000
 0G1  H17  CAN  CAM  112.01  3.000
 0G1  H20  OAL  CAJ  108.46  3.000
 0G1  H21  CAD  CAI  120.20  3.000
 0G1  H21  CAD  CAC  121.47  3.000
 0G1  CAI  CAD  CAC  118.32  3.000
 0G1  NAE  CAI  CAD  129.80  3.000
 0G1  CAD  CAI  CAH  122.90  3.000
 0G1  NAE  CAI  CAH  107.30  3.000
 0G1  H22  NAE  CAF  124.75  3.000
 0G1  H22  NAE  CAI  124.69  3.000
 0G1  CAF  NAE  CAI  109.87  3.000
 0G1  CAP  CAF  NAE  118.21  3.000
 0G1  NAE  CAF  CAG  109.23  3.000
 0G1  CAP  CAF  CAG  132.34  3.000
 0G1  NAQ  CAP  CAT  109.23  3.000
 0G1  CAT  CAP  CAF  126.93  3.000
 0G1  NAQ  CAP  CAF  123.84  3.000
 0G1  CAU  CAT  SAS  111.03  3.000
 0G1  SAS  CAT  CAP  143.35  3.000
 0G1  CAU  CAT  CAP  105.59  3.000
 0G1  CAW  SAS  CAT   90.39  3.000
 0G1  H23  CAW  CAV  126.82  3.000
 0G1  H23  CAW  SAS  118.80  3.000
 0G1  CAV  CAW  SAS  114.38  3.000
 0G1  H24  CAV  CAU  126.01  3.000
 0G1  H24  CAV  CAW  124.25  3.000
 0G1  CAU  CAV  CAW  109.74  3.000
 0G1  NAR  CAU  CAV  139.58  3.000
 0G1  NAR  CAU  CAT  105.96  3.000
 0G1  CAV  CAU  CAT  114.45  3.000
 0G1  H25  NAR  NAQ  119.59  3.000
 0G1  H25  NAR  CAU  128.20  3.000
 0G1  NAQ  NAR  CAU  112.19  3.000
 0G1  NAR  NAQ  CAP  107.03  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
 0G1  CONST_01  CAX  CAY  CAZ  CBA    0.00   0.0  0
 0G1  CONST_02  CAX  CBC  CBB  CBA    0.00   0.0  0
 0G1  CONST_03  CAY  CAZ  CBA  CBB    0.00   0.0  0
 0G1  CONST_04  CAY  CAX  CBC  CBB    0.00   0.0  0
 0G1  CONST_05  CAG  CAX  CBC  CBB  180.00   0.0  0
 0G1  CONST_06  CAZ  CAY  CAX  CBC    0.00   0.0  0
 0G1  CONST_09  CAZ  CBA  CBB  CBC    0.00   0.0  0
 0G1  CONST_10  CAG  CAX  CAY  CAZ  180.00   0.0  0
 0G1  CONST_13  CAP  CAF  CAG  CAX    0.00   0.0  0
 0G1  CONST_14  NAE  CAF  CAG  CAX  180.00   0.0  0
 0G1  CONST_15  CAI  CAH  CAG  CAX  180.00   0.0  0
 0G1  CONST_16  CAA  CAH  CAG  CAX    0.00   0.0  0
 0G1  CONST_19  CAI  NAE  CAF  CAG    0.00   0.0  0
 0G1  CONST_20  NAE  CAI  CAH  CAG    0.00   0.0  0
 0G1  CONST_21  CAD  CAI  CAH  CAG  180.00   0.0  0
 0G1  CONST_22  CAB  CAA  CAH  CAG  180.00   0.0  0
 0G1  CONST_23  CAP  CAF  CAG  CAH  180.00   0.0  0
 0G1  CONST_24  NAE  CAF  CAG  CAH    0.00   0.0  0
 0G1  CONST_25  CAF  NAE  CAI  CAH    0.00   0.0  0
 0G1  CONST_26  CAC  CAD  CAI  CAH    0.00   0.0  0
 0G1  CONST_27  CAC  CAB  CAA  CAH    0.00   0.0  0
 0G1  CONST_28  CAF  CAG  CAH  CAA  180.00   0.0  0
 0G1  CONST_29  NAE  CAI  CAH  CAA  180.00   0.0  0
 0G1  CONST_30  CAD  CAI  CAH  CAA    0.00   0.0  0
 0G1  CONST_31  CAD  CAC  CAB  CAA    0.00   0.0  0
 0G1  CONST_32  CAI  CAH  CAA  CAB    0.00   0.0  0
 0G1  CONST_33  CAI  CAD  CAC  CAB    0.00   0.0  0
 0G1  CONST_34  NAE  CAI  CAD  CAC  180.00   0.0  0
 0G1  CONST_35  CAF  NAE  CAI  CAD  180.00   0.0  0
 0G1  CONST_36  CAP  CAF  NAE  CAI  180.00   0.0  0
 0G1  CONST_37  CAF  CAG  CAH  CAI    0.00   0.0  0
 0G1  CONST_40  NAR  NAQ  CAP  CAF  180.00   0.0  0
 0G1  CONST_41  CAU  CAT  CAP  CAF  180.00   0.0  0
 0G1  CONST_42  SAS  CAT  CAP  CAF    0.00   0.0  0
 0G1  CONST_43  CAU  NAR  NAQ  CAP    0.00   0.0  0
 0G1  CONST_44  CAV  CAU  CAT  CAP  180.00   0.0  0
 0G1  CONST_45  NAR  CAU  CAT  CAP    0.00   0.0  0
 0G1  CONST_46  CAW  SAS  CAT  CAP  180.00   0.0  0
 0G1  CONST_47  CAW  CAV  CAU  CAT    0.00   0.0  0
 0G1  CONST_48  NAQ  NAR  CAU  CAT    0.00   0.0  0
 0G1  CONST_49  CAV  CAW  SAS  CAT    0.00   0.0  0
 0G1  CONST_50  NAR  NAQ  CAP  CAT    0.00   0.0  0
 0G1  CONST_51  CAU  CAV  CAW  SAS    0.00   0.0  0
 0G1  CONST_52  CAV  CAU  CAT  SAS    0.00   0.0  0
 0G1  CONST_53  NAR  CAU  CAT  SAS  180.00   0.0  0
 0G1  CONST_54  NAQ  CAP  CAT  SAS  180.00   0.0  0
 0G1  CONST_55  NAR  CAU  CAV  CAW  180.00   0.0  0
 0G1  CONST_56  CAU  CAT  SAS  CAW    0.00   0.0  0
 0G1  CONST_57  NAQ  NAR  CAU  CAV  180.00   0.0  0
 0G1  CONST_58  NAQ  CAP  CAT  CAU    0.00   0.0  0
 0G1  CONST_59  CAY  CAZ  CBA  OBD  180.00   0.0  0
 0G1  CONST_60  CBC  CBB  CBA  OBD  180.00   0.0  0
 0G1  CONST_61  CAJ  CAC  CAB  CAA  180.00   0.0  0
 0G1  CONST_62  CAI  CAD  CAC  CAJ  180.00   0.0  0
 0G1  CONST_63  H7   CAY  CAZ  CBA  180.00   0.0  0
 0G1  CONST_64  H5   CBC  CBB  CBA  180.00   0.0  0
 0G1  CONST_65  H6   CAZ  CBA  CBB  180.00   0.0  0
 0G1  CONST_66  H4   CBB  CBA  CAZ  180.00   0.0  0
 0G1  CONST_67  H22  NAE  CAF  CAG  180.00   0.0  0
 0G1  CONST_68  H8   CAA  CAH  CAG    0.00   0.0  0
 0G1  CONST_69  H21  CAD  CAI  CAH  180.00   0.0  0
 0G1  CONST_70  H9   CAB  CAA  CAH  180.00   0.0  0
 0G1  CONST_71  H25  NAR  NAQ  CAP  180.00   0.0  0
 0G1  CONST_72  H24  CAV  CAU  CAT  180.00   0.0  0
 0G1  CONST_73  H23  CAW  SAS  CAT  180.00   0.0  0
 0G1  Var_01    CAZ  CBA  OBD  CBE   -0.80  30.0  2
 0G1  Var_02    CAM  CAJ  CAC  CAB   55.70  30.0  2
 0G1  Var_03    CAN  CAM  CAJ  CAC  177.82  30.0  1
 0G1  Var_04    CAO  CAK  CAJ  CAC  -58.64  30.0  3
 0G1  Var_05    H1   CBE  OBD  CBA   62.37  30.0  3
 0G1  Var_06    H17  CAN  CAM  CAJ  -54.82  30.0  3
 0G1  Var_07    H12  CAO  CAK  CAJ   61.23  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
 0G1  plan-1  OBD  0.020
 0G1  plan-1  CBA  0.020
 0G1  plan-1  CBB  0.020
 0G1  plan-1  CBC  0.020
 0G1  plan-1  CAZ  0.020
 0G1  plan-1  CAY  0.020
 0G1  plan-1  CAX  0.020
 0G1  plan-1  CAG  0.020
 0G1  plan-1  H4   0.020
 0G1  plan-1  H5   0.020
 0G1  plan-1  H6   0.020
 0G1  plan-1  H7   0.020
 0G1  plan-2  CAX  0.020
 0G1  plan-2  CAG  0.020
 0G1  plan-2  CAH  0.020
 0G1  plan-2  CAA  0.020
 0G1  plan-2  CAB  0.020
 0G1  plan-2  CAC  0.020
 0G1  plan-2  CAJ  0.020
 0G1  plan-2  CAD  0.020
 0G1  plan-2  CAI  0.020
 0G1  plan-2  NAE  0.020
 0G1  plan-2  CAF  0.020
 0G1  plan-2  CAP  0.020
 0G1  plan-2  H8   0.020
 0G1  plan-2  H9   0.020
 0G1  plan-2  H21  0.020
 0G1  plan-2  H22  0.020
 0G1  plan-3  CAF  0.020
 0G1  plan-3  CAP  0.020
 0G1  plan-3  CAT  0.020
 0G1  plan-3  SAS  0.020
 0G1  plan-3  CAW  0.020
 0G1  plan-3  CAV  0.020
 0G1  plan-3  CAU  0.020
 0G1  plan-3  NAR  0.020
 0G1  plan-3  NAQ  0.020
 0G1  plan-3  H23  0.020
 0G1  plan-3  H24  0.020
 0G1  plan-3  H25  0.020

