# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  9 13:47:54 2020
#   Inital geometry file: a 147 line input string
#   Ligand name: N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1cc(C)cc(Nc2nccc(n2)c3n(cnc3c4ccc(F)cc4)C5CCNCC5)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
 JQP  JQP  N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine  ligand  60  33  .  2022-07-25  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_JQP
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
 JQP  C10   C  CR6   0   0.191   1.0256   0.3150   0.5071
 JQP  C15   C  CR16  0  -0.422  -4.5940   0.5844  -1.0185
 JQP  C17   C  CH3   0  -0.725  -6.9616   0.3355  -1.7951
 JQP  C20   C  CH3   0  -0.726  -5.6217   3.8277   1.5731
 JQP  C21   C  CR16  0  -0.379  -3.9515   2.2311   0.6176
 JQP  C24   C  CR16  0  -0.391   1.1404   1.1366   1.6295
 JQP  C26   C  CH1   0  -0.116   3.8906   1.3783  -0.0619
 JQP  C28   C  CH2   0  -0.324   4.9138   3.3751  -1.1471
 JQP  C02   C  CR6   0   0.512  -0.7645  -4.8430  -0.2147
 JQP  C03   C  CR16  0  -0.401   0.1826  -4.8655  -1.2194
 JQP  C04   C  CR16  0  -0.281   1.1401  -3.8631  -1.2513
 JQP  C05   C  CR6   0   0.034   1.1545  -2.8445  -0.2976
 JQP  C06   C  CR16  0  -0.290   0.1914  -2.8691   0.7118
 JQP  C07   C  CR16  0  -0.400  -0.7749  -3.8617   0.7577
 JQP  C08   C  CR5   0   0.085   2.1942  -1.8140  -0.3613
 JQP  C09   C  CR5   0   0.283   2.1435  -0.4845   0.0050
 JQP  N11   N  N     0  -0.464  -0.1198   0.1951  -0.1454
 JQP  C12   C  CR6   0   0.597  -1.1679   0.8833   0.3159
 JQP  N13   N  NH1   0  -0.776  -2.3160   0.6717  -0.3807
 JQP  C14   C  CR6   0   0.398  -3.6035   1.1804  -0.2297
 JQP  C16   C  CR6   0   0.127  -5.9094   1.0178  -0.9689
 JQP  C18   C  CR16  0  -0.383  -6.2388   2.0724  -0.1189
 JQP  C19   C  CR6   0   0.130  -5.2703   2.6791   0.6708
 JQP  N22   N  N     0  -0.461  -1.1531   1.7146   1.3543
 JQP  C23   C  CR16  0   0.011   0.0012   1.8265   1.9957
 JQP  N25   N  NR5   0  -0.467   3.4092   0.0070  -0.2159
 JQP  C27   C  CH2   0  -0.436   4.4201   1.9455  -1.3758
 JQP  N29   N  NH1   0  -0.572   5.9048   3.4917  -0.0917
 JQP  C30   C  CH2   0  -0.322   5.4320   2.9206   1.1571
 JQP  C31   C  CH2   0  -0.445   4.9470   1.4752   1.0350
 JQP  C32   C  CR15  0   0.092   4.1388  -1.0133  -0.7059
 JQP  N33   N  N     0  -0.452   3.4468  -2.1187  -0.8015
 JQP  H151  H  HCR6  0   0.255  -4.3276  -0.2372  -1.6756
 JQP  H171  H  HCH3  0   0.249  -7.2789  -0.5971  -1.3244
 JQP  H172  H  HCH3  0   0.243  -7.8461   0.9604  -1.9112
 JQP  H173  H  HCH3  0   0.244  -6.5906   0.0839  -2.7886
 JQP  H203  H  HCH3  0   0.246  -5.1365   4.7482   1.2439
 JQP  H201  H  HCH3  0   0.243  -6.6954   4.0095   1.5914
 JQP  H202  H  HCH3  0   0.244  -5.2953   3.6436   2.5975
 JQP  H211  H  HCR6  0   0.273  -3.2034   2.7019   1.2355
 JQP  H241  H  HCR6  0   0.284   2.0537   1.2148   2.2004
 JQP  H261  H  HCH1  0   0.271   3.0269   1.9782   0.2332
 JQP  H282  H  HCH2  0   0.247   5.3310   3.7739  -2.0727
 JQP  H281  H  HCH2  0   0.224   4.0619   4.0129  -0.8879
 JQP  H041  H  HCR6  0   0.259   1.8836  -3.8715  -2.0371
 JQP  H061  H  HCR6  0   0.255   0.1973  -2.1222   1.4937
 JQP  H071  H  HCR6  0   0.280  -1.5158  -3.8757   1.5459
 JQP  H131  H  HNH1  0   0.407  -2.2079  -0.0145  -1.1126
 JQP  H181  H  HCR6  0   0.237  -7.2640   2.4229  -0.0755
 JQP  H231  H  HCR6  0   0.278   0.0140   2.4926   2.8507
 JQP  H272  H  HCH2  0   0.232   5.2485   1.3353  -1.7481
 JQP  H271  H  HCH2  0   0.250   3.6355   1.9303  -2.1358
 JQP  H1    H  HNH1  0   0.342   6.7511   3.0119  -0.3767
 JQP  H301  H  HCH2  0   0.247   6.2292   2.9809   1.8993
 JQP  H302  H  HCH2  0   0.224   4.6108   3.5431   1.5286
 JQP  H312  H  HCH2  0   0.247   4.5393   1.1333   1.9905
 JQP  H311  H  HCH2  0   0.236   5.7929   0.8228   0.7953
 JQP  H321  H  HCR5  0   0.291   5.1761  -0.9032  -0.9834
 JQP  H031  H  HCR6  0   0.279   0.1735  -5.6476  -1.9668
 JQP  F01   F  F     0  -0.316  -1.6991  -5.8073  -0.1770

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
 JQP  F01  C02   single    1.343  0.020  1.343
 JQP  C03  C02   aromatic  1.381  0.020  1.381
 JQP  C03  C04   aromatic  1.387  0.020  1.387
 JQP  C02  C07   aromatic  1.382  0.020  1.382
 JQP  C04  C05   aromatic  1.395  0.020  1.395
 JQP  C07  C06   aromatic  1.386  0.020  1.386
 JQP  C05  C06   aromatic  1.395  0.020  1.395
 JQP  C05  C08   single    1.465  0.020  1.465
 JQP  N33  C08   aromatic  1.362  0.020  1.362
 JQP  N33  C32   aromatic  1.308  0.020  1.308
 JQP  C08  C09   aromatic  1.380  0.020  1.380
 JQP  C24  C23   aromatic  1.381  0.020  1.381
 JQP  C24  C10   aromatic  1.396  0.020  1.396
 JQP  C32  N25   aromatic  1.347  0.020  1.347
 JQP  C09  C10   single    1.463  0.020  1.463
 JQP  C09  N25   aromatic  1.376  0.020  1.376
 JQP  C23  N22   aromatic  1.325  0.020  1.325
 JQP  C10  N11   aromatic  1.324  0.020  1.324
 JQP  N25  C26   single    1.462  0.020  1.462
 JQP  C27  C26   single    1.526  0.020  1.526
 JQP  C27  C28   single    1.530  0.020  1.530
 JQP  N22  C12   aromatic  1.330  0.020  1.330
 JQP  C26  C31   single    1.526  0.020  1.526
 JQP  N11  C12   aromatic  1.336  0.020  1.336
 JQP  C12  N13   single    1.359  0.020  1.359
 JQP  C28  N29   single    1.452  0.020  1.452
 JQP  C31  C30   single    1.529  0.020  1.529
 JQP  N29  C30   single    1.452  0.020  1.452
 JQP  N13  C14   single    1.393  0.020  1.393
 JQP  C14  C15   aromatic  1.399  0.020  1.399
 JQP  C14  C21   aromatic  1.394  0.020  1.394
 JQP  C15  C16   aromatic  1.386  0.020  1.386
 JQP  C21  C19   aromatic  1.394  0.020  1.394
 JQP  C16  C17   single    1.502  0.020  1.502
 JQP  C16  C18   aromatic  1.394  0.020  1.394
 JQP  C19  C18   aromatic  1.389  0.020  1.389
 JQP  C19  C20   single    1.502  0.020  1.502
 JQP  C15  H151  single    0.930  0.020  1.080
 JQP  C17  H171  single    0.970  0.020  1.090
 JQP  C17  H172  single    0.970  0.020  1.090
 JQP  C17  H173  single    0.970  0.020  1.090
 JQP  C20  H203  single    0.970  0.020  1.090
 JQP  C20  H201  single    0.970  0.020  1.090
 JQP  C20  H202  single    0.970  0.020  1.090
 JQP  C21  H211  single    0.930  0.020  1.080
 JQP  C24  H241  single    0.930  0.020  1.080
 JQP  C26  H261  single    0.970  0.020  1.090
 JQP  C28  H282  single    0.970  0.020  1.090
 JQP  C28  H281  single    0.970  0.020  1.090
 JQP  C03  H031  single    0.930  0.020  1.080
 JQP  C04  H041  single    0.930  0.020  1.080
 JQP  C06  H061  single    0.930  0.020  1.080
 JQP  C07  H071  single    0.930  0.020  1.080
 JQP  N13  H131  single    0.860  0.020  1.020
 JQP  C18  H181  single    0.930  0.020  1.080
 JQP  C23  H231  single    0.930  0.020  1.080
 JQP  C27  H272  single    0.970  0.020  1.090
 JQP  C27  H271  single    0.970  0.020  1.090
 JQP  N29  H1    single    0.890  0.020  1.040
 JQP  C30  H301  single    0.970  0.020  1.090
 JQP  C30  H302  single    0.970  0.020  1.090
 JQP  C31  H312  single    0.970  0.020  1.090
 JQP  C31  H311  single    0.970  0.020  1.090
 JQP  C32  H321  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
 JQP  N11   C10  C09   116.26  3.000
 JQP  N11   C10  C24   121.39  3.000
 JQP  C09   C10  C24   122.33  3.000
 JQP  H151  C15  C16   119.44  3.000
 JQP  H151  C15  C14   119.33  3.000
 JQP  C16   C15  C14   121.23  3.000
 JQP  H173  C17  H172  108.16  3.000
 JQP  H173  C17  H171  107.14  3.000
 JQP  H172  C17  H171  107.46  3.000
 JQP  H173  C17  C16   111.58  3.000
 JQP  H172  C17  C16   111.53  3.000
 JQP  H171  C17  C16   110.77  3.000
 JQP  H202  C20  H201  107.91  3.000
 JQP  H202  C20  H203  107.01  3.000
 JQP  H201  C20  H203  107.61  3.000
 JQP  H202  C20  C19   111.41  3.000
 JQP  H201  C20  C19   111.61  3.000
 JQP  H203  C20  C19   111.08  3.000
 JQP  H211  C21  C19   119.61  3.000
 JQP  H211  C21  C14   120.27  3.000
 JQP  C19   C21  C14   120.11  3.000
 JQP  H241  C24  C23   121.42  3.000
 JQP  H241  C24  C10   122.50  3.000
 JQP  C23   C24  C10   116.07  3.000
 JQP  H261  C26  C31   108.57  3.000
 JQP  H261  C26  C27   107.63  3.000
 JQP  C31   C26  C27   110.80  3.000
 JQP  H261  C26  N25   106.46  3.000
 JQP  C31   C26  N25   111.31  3.000
 JQP  C27   C26  N25   111.86  3.000
 JQP  H281  C28  H282  106.58  3.000
 JQP  H281  C28  N29   108.18  3.000
 JQP  H282  C28  N29   109.04  3.000
 JQP  H281  C28  C27   109.18  3.000
 JQP  H282  C28  C27   109.77  3.000
 JQP  N29   C28  C27   113.83  3.000
 JQP  C07   C02  C03   121.92  3.000
 JQP  C07   C02  F01   119.01  3.000
 JQP  C03   C02  F01   119.07  3.000
 JQP  H031  C03  C04   120.84  3.000
 JQP  H031  C03  C02   120.57  3.000
 JQP  C04   C03  C02   118.60  3.000
 JQP  H041  C04  C05   119.67  3.000
 JQP  H041  C04  C03   119.06  3.000
 JQP  C05   C04  C03   121.27  3.000
 JQP  C08   C05  C06   122.25  3.000
 JQP  C08   C05  C04   119.40  3.000
 JQP  C06   C05  C04   118.32  3.000
 JQP  H061  C06  C07   118.33  3.000
 JQP  H061  C06  C05   120.47  3.000
 JQP  C07   C06  C05   121.18  3.000
 JQP  H071  C07  C06   120.72  3.000
 JQP  H071  C07  C02   120.58  3.000
 JQP  C06   C07  C02   118.70  3.000
 JQP  N33   C08  C09   109.58  3.000
 JQP  C09   C08  C05   129.78  3.000
 JQP  N33   C08  C05   120.61  3.000
 JQP  N25   C09  C08   105.53  3.000
 JQP  N25   C09  C10   124.25  3.000
 JQP  C08   C09  C10   130.21  3.000
 JQP  C12   N11  C10   117.52  3.000
 JQP  N22   C12  N13   120.44  3.000
 JQP  N13   C12  N11   113.92  3.000
 JQP  N22   C12  N11   125.64  3.000
 JQP  H131  N13  C14   115.22  3.000
 JQP  H131  N13  C12   112.77  3.000
 JQP  C14   N13  C12   131.94  3.000
 JQP  N13   C14  C21   124.90  3.000
 JQP  C21   C14  C15   119.14  3.000
 JQP  N13   C14  C15   115.96  3.000
 JQP  C18   C16  C17   120.91  3.000
 JQP  C18   C16  C15   118.86  3.000
 JQP  C17   C16  C15   120.22  3.000
 JQP  H181  C18  C19   119.69  3.000
 JQP  H181  C18  C16   119.49  3.000
 JQP  C19   C18  C16   120.82  3.000
 JQP  C18   C19  C21   119.84  3.000
 JQP  C18   C19  C20   120.81  3.000
 JQP  C21   C19  C20   119.34  3.000
 JQP  C23   N22  C12   116.12  3.000
 JQP  H231  C23  N22   116.35  3.000
 JQP  H231  C23  C24   120.42  3.000
 JQP  N22   C23  C24   123.22  3.000
 JQP  C32   N25  C09   106.63  3.000
 JQP  C09   N25  C26   128.42  3.000
 JQP  C32   N25  C26   124.81  3.000
 JQP  H271  C27  H272  107.41  3.000
 JQP  H271  C27  C28   110.41  3.000
 JQP  H272  C27  C28   109.13  3.000
 JQP  H271  C27  C26   110.16  3.000
 JQP  H272  C27  C26   110.39  3.000
 JQP  C28   C27  C26   109.31  3.000
 JQP  H1    N29  C30   109.11  3.000
 JQP  H1    N29  C28   109.11  3.000
 JQP  C30   N29  C28   111.78  3.000
 JQP  H302  C30  H301  106.60  3.000
 JQP  H302  C30  C31   109.05  3.000
 JQP  H301  C30  C31   109.77  3.000
 JQP  H302  C30  N29   108.19  3.000
 JQP  H301  C30  N29   108.99  3.000
 JQP  C31   C30  N29   113.97  3.000
 JQP  H311  C31  H312  107.04  3.000
 JQP  H311  C31  C30   109.61  3.000
 JQP  H312  C31  C30   110.12  3.000
 JQP  H311  C31  C26   109.86  3.000
 JQP  H312  C31  C26   110.49  3.000
 JQP  C30   C31  C26   109.69  3.000
 JQP  H321  C32  N33   125.17  3.000
 JQP  H321  C32  N25   122.47  3.000
 JQP  N33   C32  N25   112.36  3.000
 JQP  C32   N33  C08   105.90  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
 JQP  CONST_01  N22   C23  C24  C10     0.00   0.0  0
 JQP  CONST_02  C05   C08  C09  C10     0.00   0.0  0
 JQP  CONST_03  N33   C08  C09  C10   180.00   0.0  0
 JQP  CONST_04  C32   N25  C09  C10   180.00   0.0  0
 JQP  CONST_05  N22   C12  N11  C10     0.00   0.0  0
 JQP  CONST_06  C19   C21  C14  C15     0.00   0.0  0
 JQP  CONST_07  C19   C18  C16  C15     0.00   0.0  0
 JQP  CONST_08  C16   C15  C14  C21     0.00   0.0  0
 JQP  CONST_09  C16   C18  C19  C21     0.00   0.0  0
 JQP  CONST_10  C12   N22  C23  C24     0.00   0.0  0
 JQP  CONST_13  C12   N11  C10  C24     0.00   0.0  0
 JQP  CONST_14  C05   C04  C03  C02     0.00   0.0  0
 JQP  CONST_15  C05   C06  C07  C02     0.00   0.0  0
 JQP  CONST_16  C06   C07  C02  C03     0.00   0.0  0
 JQP  CONST_17  C06   C05  C04  C03     0.00   0.0  0
 JQP  CONST_18  C08   C05  C04  C03   180.00   0.0  0
 JQP  CONST_19  C07   C02  C03  C04     0.00   0.0  0
 JQP  CONST_20  C07   C06  C05  C04     0.00   0.0  0
 JQP  CONST_23  C32   N33  C08  C05   180.00   0.0  0
 JQP  CONST_24  N25   C09  C08  C05   180.00   0.0  0
 JQP  CONST_27  C08   C05  C06  C07   180.00   0.0  0
 JQP  CONST_28  N25   C32  N33  C08     0.00   0.0  0
 JQP  CONST_30  C32   N25  C09  C08     0.00   0.0  0
 JQP  CONST_31  C32   N33  C08  C09     0.00   0.0  0
 JQP  CONST_32  C23   C24  C10  C09   180.00   0.0  0
 JQP  CONST_33  C12   N11  C10  C09   180.00   0.0  0
 JQP  CONST_34  N33   C32  N25  C09     0.00   0.0  0
 JQP  CONST_35  C23   C24  C10  N11     0.00   0.0  0
 JQP  CONST_37  C23   N22  C12  N11     0.00   0.0  0
 JQP  CONST_38  C18   C16  C15  C14     0.00   0.0  0
 JQP  CONST_39  C18   C19  C21  C14     0.00   0.0  0
 JQP  CONST_40  N33   C08  C09  N25     0.00   0.0  0
 JQP  CONST_41  C26   N25  C09  C10     0.00   0.0  0
 JQP  CONST_42  N33   C32  N25  C26   180.00   0.0  0
 JQP  CONST_43  C08   C09  N25  C26   180.00   0.0  0
 JQP  CONST_44  N13   C12  N11  C10   180.00   0.0  0
 JQP  CONST_45  C14   C15  C16  C17   180.00   0.0  0
 JQP  CONST_46  C19   C18  C16  C17   180.00   0.0  0
 JQP  CONST_47  C14   C21  C19  C20   180.00   0.0  0
 JQP  CONST_48  C16   C18  C19  C20   180.00   0.0  0
 JQP  CONST_49  C04   C03  C02  F01   180.00   0.0  0
 JQP  CONST_50  C06   C07  C02  F01   180.00   0.0  0
 JQP  CONST_51  C23   N22  C12  N13   180.00   0.0  0
 JQP  CONST_52  C16   C15  C14  N13   180.00   0.0  0
 JQP  CONST_53  C19   C21  C14  N13   180.00   0.0  0
 JQP  CONST_54  H231  C23  C24  C10   180.00   0.0  0
 JQP  CONST_55  H211  C21  C14  C15   180.00   0.0  0
 JQP  CONST_56  H181  C18  C16  C15   180.00   0.0  0
 JQP  CONST_57  H151  C15  C14  C21   180.00   0.0  0
 JQP  CONST_58  H321  C32  N25  C26     0.00   0.0  0
 JQP  CONST_59  H041  C04  C03  C02   180.00   0.0  0
 JQP  CONST_60  H061  C06  C07  C02   180.00   0.0  0
 JQP  CONST_61  H071  C07  C02  C03   180.00   0.0  0
 JQP  CONST_62  H031  C03  C04  C05   180.00   0.0  0
 JQP  CONST_63  H241  C24  C10  C09     0.00   0.0  0
 JQP  Var_01    N29   C28  C27  C26    55.21  30.0  1
 JQP  Var_02    N29   C30  C31  C26   -54.09  30.0  1
 JQP  Var_03    C31   C30  N29  C28    53.81  30.0  1
 JQP  Var_04    C30   N29  C28  C27   -54.44  30.0  1
 JQP  Var_05    C12   N13  C14  C15  -170.86  30.0  3
 JQP  Var_06    C14   N13  C12  N11   179.89  30.0  2
 JQP  Var_07    H171  C17  C16  C15    79.00  30.0  2
 JQP  Var_08    H203  C20  C19  C21    65.50  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
 JQP  chir_01  C26  N25  C27  C31  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
 JQP  plan-1  C10   0.020
 JQP  plan-1  C26   0.020
 JQP  plan-1  C05   0.020
 JQP  plan-1  C08   0.020
 JQP  plan-1  C09   0.020
 JQP  plan-1  N25   0.020
 JQP  plan-1  C32   0.020
 JQP  plan-1  N33   0.020
 JQP  plan-1  H321  0.020
 JQP  plan-2  C10   0.020
 JQP  plan-2  C24   0.020
 JQP  plan-2  C09   0.020
 JQP  plan-2  N11   0.020
 JQP  plan-2  C12   0.020
 JQP  plan-2  N13   0.020
 JQP  plan-2  N22   0.020
 JQP  plan-2  C23   0.020
 JQP  plan-2  H241  0.020
 JQP  plan-2  H231  0.020
 JQP  plan-3  C02   0.020
 JQP  plan-3  C03   0.020
 JQP  plan-3  C04   0.020
 JQP  plan-3  C05   0.020
 JQP  plan-3  C06   0.020
 JQP  plan-3  C07   0.020
 JQP  plan-3  C08   0.020
 JQP  plan-3  H041  0.020
 JQP  plan-3  H061  0.020
 JQP  plan-3  H071  0.020
 JQP  plan-3  H031  0.020
 JQP  plan-3  F01   0.020
 JQP  plan-4  C15   0.020
 JQP  plan-4  C17   0.020
 JQP  plan-4  C20   0.020
 JQP  plan-4  C21   0.020
 JQP  plan-4  N13   0.020
 JQP  plan-4  C14   0.020
 JQP  plan-4  C16   0.020
 JQP  plan-4  C18   0.020
 JQP  plan-4  C19   0.020
 JQP  plan-4  H151  0.020
 JQP  plan-4  H211  0.020
 JQP  plan-4  H181  0.020

