# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun May  3 14:33:42 2020
#   Inital geometry file: a 138 line input string
#   Ligand name: N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1c3ccc4nc(NC5CC5)ncc4c3
#
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
 G17  G17  N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide  ligand  55  34  .  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_G17
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
 G17  FBF  F  F     0  -0.305  -7.5340  -1.5367   2.2013
 G17  CBE  C  CT    0   1.057  -7.7941  -1.8064   0.9180
 G17  FBG  F  F     0  -0.307  -8.1916  -3.0820   0.8564
 G17  FBH  F  F     0  -0.313  -8.8513  -1.0567   0.5713
 G17  CAW  C  CR6   0  -0.177  -6.6181  -1.5388   0.0304
 G17  CAV  C  CR16  0  -0.301  -5.6904  -0.5715   0.3835
 G17  CAX  C  CR16  0  -0.269  -6.4934  -2.2250  -1.1735
 G17  CAY  C  CR16  0  -0.226  -5.4303  -1.9422  -2.0149
 G17  CAZ  C  CR16  0  -0.284  -4.4899  -0.9881  -1.6578
 G17  CAU  C  CR6   0  -0.030  -4.6109  -0.3028  -0.4524
 G17  CAT  C  C     0   0.537  -3.6518   0.7636  -0.0284
 G17  OBA  O  O     0  -0.456  -4.0074   1.6753   0.6970
 G17  NAS  N  NH1   0  -0.765  -2.3920   0.6198  -0.5052
 G17  CAP  C  CR6   0   0.393  -1.3010   1.4787  -0.3146
 G17  CAQ  C  CR16  0  -0.404  -0.0292   0.9314  -0.4456
 G17  CAO  C  CR16  0  -0.301  -1.4192   2.8410  -0.0508
 G17  CAN  C  CR16  0  -0.284  -0.2701   3.6059   0.0646
 G17  CAM  C  CR6   0   0.050   1.0116   3.0770  -0.0639
 G17  CAR  C  CH3   0  -0.752   2.1948   3.9967   0.0430
 G17  CAL  C  CR6   0   0.081   1.1240   1.7028  -0.3218
 G17  CAI  C  CR6   0   0.030   2.4285   1.0247  -0.4872
 G17  CAH  C  CR16  0  -0.348   3.4481   1.1620   0.4237
 G17  CAJ  C  CR16  0  -0.280   2.6380   0.1718  -1.6017
 G17  CAK  C  CR16  0  -0.309   3.8109  -0.5050  -1.7959
 G17  C4   C  CR66  0   0.265   4.8670  -0.3695  -0.8667
 G17  N3   N  N     0  -0.504   6.0257  -1.0286  -1.0455
 G17  C5   C  CR66  0   0.002   4.6630   0.4767   0.2455
 G17  C6   C  CR16  0  -0.017   5.7545   0.5751   1.1363
 G17  N1   N  N     0  -0.439   6.8760  -0.0590   0.9631
 G17  C2   C  CR6   0   0.573   6.9664  -0.8534  -0.1387
 G17  NAG  N  NH1   0  -0.660   8.1266  -1.5190  -0.3055
 G17  CBD  C  CH1   0  -0.081   9.2779  -1.3477   0.5127
 G17  CBC  C  CH2   0  -0.512  10.1352  -2.5522   0.7362
 G17  CBB  C  CH2   0  -0.479   9.3205  -1.9928   1.8608
 G17  H1   H  HCR6  0   0.278  -5.7849  -0.0227   1.3110
 G17  H2   H  HCR6  0   0.283  -7.2161  -2.9751  -1.4658
 G17  H3   H  HCR6  0   0.280  -5.3368  -2.4645  -2.9568
 G17  H4   H  HCR6  0   0.276  -3.6814  -0.7726  -2.3448
 G17  H5   H  HNH1  0   0.423  -2.1658  -0.2599  -0.9441
 G17  H6   H  HCR6  0   0.268   0.0691  -0.1320  -0.6356
 G17  H7   H  HCR6  0   0.273  -2.3820   3.3166   0.0455
 G17  H8   H  HCR6  0   0.254  -0.3802   4.6689   0.2439
 G17  H9   H  HCH3  0   0.248   2.5866   4.0409   1.0613
 G17  H10  H  HCH3  0   0.248   3.0160   3.6906  -0.6043
 G17  H11  H  HCH3  0   0.253   1.9121   5.0126  -0.2313
 G17  H12  H  HCR6  0   0.260   3.3274   1.7865   1.3010
 G17  H13  H  HCR6  0   0.263   1.8444   0.0633  -2.3310
 G17  H14  H  HCR6  0   0.260   3.9465  -1.1436  -2.6593
 G17  H15  H  HCR6  0   0.275   5.6762   1.2109   2.0145
 G17  H16  H  HNH1  0   0.393   8.2252  -2.0239  -1.1720
 G17  H17  H  HCH1  0   0.261   9.7891  -0.3942   0.4130
 G17  H18  H  HCH2  0   0.257   9.8108  -3.4851   0.2917
 G17  H19  H  HCH2  0   0.258  11.2076  -2.4101   0.7486
 G17  H20  H  HCH2  0   0.253   9.8297  -1.4613   2.6541
 G17  H21  H  HCH2  0   0.253   8.4457  -2.5450   2.1786

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
 G17  CAY  CAX  aromatic  1.385  0.020  1.385
 G17  CAY  CAZ  aromatic  1.387  0.020  1.387
 G17  CAX  CAW  aromatic  1.391  0.020  1.391
 G17  CAZ  CAU  aromatic  1.392  0.020  1.392
 G17  FBG  CBE  single    1.337  0.020  1.337
 G17  CAW  CAV  aromatic  1.386  0.020  1.386
 G17  CAW  CBE  single    1.498  0.020  1.498
 G17  CAU  CAV  aromatic  1.392  0.020  1.392
 G17  CAU  CAT  single    1.496  0.020  1.496
 G17  NAS  CAT  single    1.355  0.020  1.355
 G17  NAS  CAP  single    1.402  0.020  1.402
 G17  CAO  CAP  aromatic  1.393  0.020  1.393
 G17  CAO  CAN  aromatic  1.385  0.020  1.385
 G17  CBE  FBH  single    1.342  0.020  1.342
 G17  CBE  FBF  single    1.337  0.020  1.337
 G17  CAT  OBA  double    1.218  0.020  1.218
 G17  CAP  CAQ  aromatic  1.391  0.020  1.391
 G17  CAN  CAM  aromatic  1.393  0.020  1.393
 G17  CAQ  CAL  aromatic  1.393  0.020  1.393
 G17  CAM  CAL  aromatic  1.403  0.020  1.403
 G17  CAM  CAR  single    1.502  0.020  1.502
 G17  CAL  CAI  single    1.479  0.020  1.479
 G17  CAJ  CAI  aromatic  1.419  0.020  1.419
 G17  CAJ  CAK  aromatic  1.368  0.020  1.368
 G17  CAI  CAH  aromatic  1.374  0.020  1.374
 G17  CAK  C4   aromatic  1.413  0.020  1.413
 G17  CAH  C5   aromatic  1.406  0.020  1.406
 G17  C4   C5   aromatic  1.412  0.020  1.412
 G17  C4   N3   aromatic  1.345  0.020  1.345
 G17  C5   C6   aromatic  1.412  0.020  1.412
 G17  N3   C2   aromatic  1.318  0.020  1.318
 G17  C6   N1   aromatic  1.300  0.020  1.300
 G17  C2   N1   aromatic  1.361  0.020  1.361
 G17  C2   NAG  single    1.348  0.020  1.348
 G17  CBD  NAG  single    1.423  0.020  1.423
 G17  CBD  CBC  single    1.495  0.020  1.495
 G17  CBD  CBB  single    1.495  0.020  1.495
 G17  CBC  CBB  single    1.497  0.020  1.497
 G17  CAV  H1   single    0.930  0.020  1.080
 G17  CAX  H2   single    0.930  0.020  1.080
 G17  CAY  H3   single    0.930  0.020  1.080
 G17  CAZ  H4   single    0.930  0.020  1.080
 G17  NAS  H5   single    0.860  0.020  1.020
 G17  CAQ  H6   single    0.930  0.020  1.080
 G17  CAO  H7   single    0.930  0.020  1.080
 G17  CAN  H8   single    0.930  0.020  1.080
 G17  CAR  H9   single    0.970  0.020  1.090
 G17  CAR  H10  single    0.970  0.020  1.090
 G17  CAR  H11  single    0.970  0.020  1.090
 G17  CAH  H12  single    0.930  0.020  1.080
 G17  CAJ  H13  single    0.930  0.020  1.080
 G17  CAK  H14  single    0.930  0.020  1.080
 G17  C6   H15  single    0.930  0.020  1.080
 G17  NAG  H16  single    0.860  0.020  1.020
 G17  CBD  H17  single    0.970  0.020  1.090
 G17  CBC  H18  single    0.970  0.020  1.090
 G17  CBC  H19  single    0.970  0.020  1.090
 G17  CBB  H20  single    0.970  0.020  1.090
 G17  CBB  H21  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
 G17  CAW  CBE  FBH  111.46  3.000
 G17  FBH  CBE  FBG  106.68  3.000
 G17  CAW  CBE  FBG  112.12  3.000
 G17  FBH  CBE  FBF  106.78  3.000
 G17  CAW  CBE  FBF  112.34  3.000
 G17  FBG  CBE  FBF  107.12  3.000
 G17  CAX  CAW  CAV  120.31  3.000
 G17  CAV  CAW  CBE  119.96  3.000
 G17  CAX  CAW  CBE  119.68  3.000
 G17  H1   CAV  CAU  119.00  3.000
 G17  H1   CAV  CAW  120.93  3.000
 G17  CAU  CAV  CAW  120.06  3.000
 G17  H2   CAX  CAY  119.35  3.000
 G17  H2   CAX  CAW  121.06  3.000
 G17  CAY  CAX  CAW  119.59  3.000
 G17  H3   CAY  CAZ  119.88  3.000
 G17  H3   CAY  CAX  119.81  3.000
 G17  CAZ  CAY  CAX  120.31  3.000
 G17  H4   CAZ  CAU  121.10  3.000
 G17  H4   CAZ  CAY  118.69  3.000
 G17  CAU  CAZ  CAY  120.19  3.000
 G17  CAT  CAU  CAZ  122.74  3.000
 G17  CAT  CAU  CAV  117.70  3.000
 G17  CAZ  CAU  CAV  119.51  3.000
 G17  NAS  CAT  OBA  124.09  3.000
 G17  OBA  CAT  CAU  121.02  3.000
 G17  NAS  CAT  CAU  114.89  3.000
 G17  H5   NAS  CAP  114.77  3.000
 G17  H5   NAS  CAT  117.02  3.000
 G17  CAP  NAS  CAT  127.66  3.000
 G17  CAO  CAP  CAQ  118.71  3.000
 G17  CAQ  CAP  NAS  117.25  3.000
 G17  CAO  CAP  NAS  124.00  3.000
 G17  H6   CAQ  CAL  118.91  3.000
 G17  H6   CAQ  CAP  119.02  3.000
 G17  CAL  CAQ  CAP  122.06  3.000
 G17  H7   CAO  CAN  119.32  3.000
 G17  H7   CAO  CAP  121.61  3.000
 G17  CAN  CAO  CAP  119.05  3.000
 G17  H8   CAN  CAM  118.78  3.000
 G17  H8   CAN  CAO  118.11  3.000
 G17  CAM  CAN  CAO  123.10  3.000
 G17  CAL  CAM  CAR  123.35  3.000
 G17  CAR  CAM  CAN  119.06  3.000
 G17  CAL  CAM  CAN  117.57  3.000
 G17  H11  CAR  H10  107.94  3.000
 G17  H11  CAR  H9   106.86  3.000
 G17  H10  CAR  H9   107.16  3.000
 G17  H11  CAR  CAM  110.40  3.000
 G17  H10  CAR  CAM  112.29  3.000
 G17  H9   CAR  CAM  111.94  3.000
 G17  CAI  CAL  CAM  122.70  3.000
 G17  CAI  CAL  CAQ  117.79  3.000
 G17  CAM  CAL  CAQ  119.51  3.000
 G17  CAJ  CAI  CAH  118.11  3.000
 G17  CAH  CAI  CAL  122.30  3.000
 G17  CAJ  CAI  CAL  119.57  3.000
 G17  H12  CAH  C5   118.67  3.000
 G17  H12  CAH  CAI  120.78  3.000
 G17  C5   CAH  CAI  120.55  3.000
 G17  H13  CAJ  CAK  118.88  3.000
 G17  H13  CAJ  CAI  118.74  3.000
 G17  CAK  CAJ  CAI  122.38  3.000
 G17  H14  CAK  C4   119.17  3.000
 G17  H14  CAK  CAJ  120.83  3.000
 G17  C4   CAK  CAJ  120.00  3.000
 G17  C5   C4   N3   121.52  3.000
 G17  N3   C4   CAK  120.63  3.000
 G17  C5   C4   CAK  117.86  3.000
 G17  C2   N3   C4   117.27  3.000
 G17  C6   C5   C4   115.27  3.000
 G17  C6   C5   CAH  123.63  3.000
 G17  C4   C5   CAH  121.10  3.000
 G17  H15  C6   N1   117.07  3.000
 G17  H15  C6   C5   119.65  3.000
 G17  N1   C6   C5   123.28  3.000
 G17  C2   N1   C6   116.72  3.000
 G17  NAG  C2   N1   116.45  3.000
 G17  NAG  C2   N3   117.61  3.000
 G17  N1   C2   N3   125.94  3.000
 G17  H16  NAG  CBD  118.40  3.000
 G17  H16  NAG  C2   115.98  3.000
 G17  CBD  NAG  C2   124.46  3.000
 G17  H17  CBD  CBB  116.61  3.000
 G17  H17  CBD  CBC  116.80  3.000
 G17  CBB  CBD  CBC   60.09  3.000
 G17  H17  CBD  NAG  115.70  3.000
 G17  CBB  CBD  NAG  119.32  3.000
 G17  CBC  CBD  NAG  116.93  3.000
 G17  H19  CBC  H18  114.50  3.000
 G17  H19  CBC  CBB  118.80  3.000
 G17  H18  CBC  CBB  117.85  3.000
 G17  H19  CBC  CBD  117.66  3.000
 G17  H18  CBC  CBD  117.44  3.000
 G17  CBB  CBC  CBD   59.95  3.000
 G17  H21  CBB  H20  114.56  3.000
 G17  H21  CBB  CBC  118.02  3.000
 G17  H20  CBB  CBC  118.56  3.000
 G17  H21  CBB  CBD  117.51  3.000
 G17  H20  CBB  CBD  117.55  3.000
 G17  CBC  CBB  CBD   59.96  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
 G17  CONST_01  CAZ  CAY  CAX  CAW     0.00   0.0  0
 G17  CONST_02  CAZ  CAU  CAV  CAW     0.00   0.0  0
 G17  CONST_03  CAY  CAX  CAW  CAV     0.00   0.0  0
 G17  CONST_04  CAY  CAZ  CAU  CAV     0.00   0.0  0
 G17  CONST_05  CAU  CAZ  CAY  CAX     0.00   0.0  0
 G17  CONST_06  CAU  CAV  CAW  CAX     0.00   0.0  0
 G17  CONST_07  CAM  CAN  CAO  CAP     0.00   0.0  0
 G17  CONST_08  CAM  CAL  CAQ  CAP     0.00   0.0  0
 G17  CONST_09  CAI  CAL  CAQ  CAP   180.00   0.0  0
 G17  CONST_10  CAN  CAO  CAP  CAQ     0.00   0.0  0
 G17  CONST_11  CAN  CAM  CAL  CAQ     0.00   0.0  0
 G17  CONST_14  CAL  CAQ  CAP  CAO     0.00   0.0  0
 G17  CONST_15  CAL  CAM  CAN  CAO     0.00   0.0  0
 G17  CONST_16  CAI  CAL  CAM  CAN   180.00   0.0  0
 G17  CONST_19  CAK  CAJ  CAI  CAL   180.00   0.0  0
 G17  CONST_20  C5   CAH  CAI  CAL   180.00   0.0  0
 G17  CONST_21  C4   CAK  CAJ  CAI     0.00   0.0  0
 G17  CONST_22  C4   C5   CAH  CAI     0.00   0.0  0
 G17  CONST_23  C6   C5   CAH  CAI   180.00   0.0  0
 G17  CONST_24  CAK  CAJ  CAI  CAH     0.00   0.0  0
 G17  CONST_25  CAK  C4   C5   CAH     0.00   0.0  0
 G17  CONST_26  N3   C4   C5   CAH   180.00   0.0  0
 G17  CONST_27  N1   C6   C5   CAH   180.00   0.0  0
 G17  CONST_28  C5   CAH  CAI  CAJ     0.00   0.0  0
 G17  CONST_29  C5   C4   CAK  CAJ     0.00   0.0  0
 G17  CONST_30  N3   C4   CAK  CAJ   180.00   0.0  0
 G17  CONST_31  C6   C5   C4   CAK   180.00   0.0  0
 G17  CONST_32  C2   N3   C4   CAK   180.00   0.0  0
 G17  CONST_33  N1   C6   C5   C4      0.00   0.0  0
 G17  CONST_34  N1   C2   N3   C4      0.00   0.0  0
 G17  CONST_35  C6   C5   C4   N3      0.00   0.0  0
 G17  CONST_36  C6   N1   C2   N3      0.00   0.0  0
 G17  CONST_37  C2   N3   C4   C5      0.00   0.0  0
 G17  CONST_38  C2   N1   C6   C5      0.00   0.0  0
 G17  CONST_39  CAY  CAX  CAW  CBE   180.00   0.0  0
 G17  CONST_40  CAU  CAV  CAW  CBE   180.00   0.0  0
 G17  CONST_41  CAT  CAU  CAV  CAW   180.00   0.0  0
 G17  CONST_42  CAT  CAU  CAZ  CAY   180.00   0.0  0
 G17  CONST_43  CAN  CAO  CAP  NAS   180.00   0.0  0
 G17  CONST_44  CAL  CAQ  CAP  NAS   180.00   0.0  0
 G17  CONST_45  CAR  CAM  CAL  CAQ   180.00   0.0  0
 G17  CONST_46  CAR  CAM  CAN  CAO   180.00   0.0  0
 G17  CONST_47  CAI  CAL  CAM  CAR     0.00   0.0  0
 G17  CONST_48  NAG  C2   N3   C4    180.00   0.0  0
 G17  CONST_49  NAG  C2   N1   C6    180.00   0.0  0
 G17  CONST_50  CBD  NAG  C2   N3    180.00   0.0  0
 G17  CONST_51  CBD  NAG  C2   N1      0.00   0.0  0
 G17  CONST_52  H3   CAY  CAX  CAW   180.00   0.0  0
 G17  CONST_53  H2   CAX  CAW  CAV   180.00   0.0  0
 G17  CONST_54  H4   CAZ  CAU  CAV   180.00   0.0  0
 G17  CONST_55  H1   CAV  CAW  CAX   180.00   0.0  0
 G17  CONST_56  H8   CAN  CAO  CAP   180.00   0.0  0
 G17  CONST_57  H7   CAO  CAP  CAQ   180.00   0.0  0
 G17  CONST_58  H6   CAQ  CAP  CAO   180.00   0.0  0
 G17  CONST_59  H13  CAJ  CAI  CAL     0.00   0.0  0
 G17  CONST_60  H12  CAH  CAI  CAL     0.00   0.0  0
 G17  CONST_61  H14  CAK  CAJ  CAI   180.00   0.0  0
 G17  CONST_62  H15  C6   C5   CAH     0.00   0.0  0
 G17  CONST_63  CAP  NAS  CAT  CAU   180.00   0.0  0
 G17  CONST_66  H5   NAS  CAP  CAQ     0.00   0.0  0
 G17  CONST_67  H16  NAG  C2   N3      0.00   0.0  0
 G17  CONST_68  CAP  NAS  CAT  OBA     0.00   0.0  0
 G17  Var_01    CBC  CBD  NAG  C2    147.00  30.0  1
 G17  Var_02    CBB  CBC  CBD  NAG  -109.96  30.0  1
 G17  Var_03    H20  CBB  CBC  CBD  -107.07  30.0  1
 G17  Var_04    CAX  CAW  CBE  FBF   154.36  30.0  2
 G17  Var_05    NAS  CAT  CAU  CAV   153.18  30.0  2
 G17  Var_06    H9   CAR  CAM  CAN    93.34  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
 G17  chir_01  CBD  NAG  CBC  CBB  both

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
 G17  plan-1  CBE  0.020
 G17  plan-1  CAW  0.020
 G17  plan-1  CAV  0.020
 G17  plan-1  CAX  0.020
 G17  plan-1  CAY  0.020
 G17  plan-1  CAZ  0.020
 G17  plan-1  CAU  0.020
 G17  plan-1  CAT  0.020
 G17  plan-1  H1   0.020
 G17  plan-1  H2   0.020
 G17  plan-1  H3   0.020
 G17  plan-1  H4   0.020
 G17  plan-2  NAS  0.020
 G17  plan-2  CAP  0.020
 G17  plan-2  CAQ  0.020
 G17  plan-2  CAO  0.020
 G17  plan-2  CAN  0.020
 G17  plan-2  CAM  0.020
 G17  plan-2  CAR  0.020
 G17  plan-2  CAL  0.020
 G17  plan-2  CAI  0.020
 G17  plan-2  H6   0.020
 G17  plan-2  H7   0.020
 G17  plan-2  H8   0.020
 G17  plan-3  CAL  0.020
 G17  plan-3  CAI  0.020
 G17  plan-3  CAH  0.020
 G17  plan-3  CAJ  0.020
 G17  plan-3  CAK  0.020
 G17  plan-3  C4   0.020
 G17  plan-3  N3   0.020
 G17  plan-3  C5   0.020
 G17  plan-3  C6   0.020
 G17  plan-3  N1   0.020
 G17  plan-3  C2   0.020
 G17  plan-3  NAG  0.020
 G17  plan-3  H12  0.020
 G17  plan-3  H13  0.020
 G17  plan-3  H14  0.020
 G17  plan-3  H15  0.020
 G17  plan-4  C2   0.020
 G17  plan-4  NAG  0.020
 G17  plan-4  CBD  0.020
 G17  plan-4  H16  0.020
 G17  plan-5  CAU  0.020
 G17  plan-5  CAT  0.020
 G17  plan-5  OBA  0.020
 G17  plan-5  NAS  0.020
 G17  plan-5  CAP  0.020
 G17  plan-5  H5   0.020

