# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr 18 13:41:23 2020
#   Inital geometry file: a 153 line input string
#   Ligand name: 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: FC(F)(F)c1c(Sc2ccccc2OCc3cccnc3)ccc(\C=C\C(=O)N4CCOCC4)c1C(F)(F)F
#
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
 BQN  BQN  4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine  ligand  61  39  .  2022-07-24  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_BQN
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
 BQN  F6    F  F     0  -0.310  -1.4927   3.0685  -2.6447
 BQN  C12   C  CT    0   1.074  -1.3679   2.8877  -1.3280
 BQN  F4    F  F     0  -0.304  -0.8620   4.0016  -0.7984
 BQN  F5    F  F     0  -0.303  -2.6095   2.8013  -0.8310
 BQN  C11   C  CR6   0  -0.203  -0.5682   1.6517  -0.9740
 BQN  C9    C  CR6   0  -0.251   0.8019   1.7087  -0.6646
 BQN  C10   C  CT    0   1.059   1.6667   2.8938  -1.0503
 BQN  F3    F  F     0  -0.314   1.7957   3.7893  -0.0664
 BQN  F2    F  F     0  -0.298   2.9020   2.4944  -1.3735
 BQN  F1    F  F     0  -0.305   1.2148   3.5285  -2.1341
 BQN  C13   C  CR6   0  -0.147  -1.2480   0.4252  -0.8984
 BQN  S     S  S2    0   0.119  -2.9274   0.2553  -1.4583
 BQN  C14   C  CR6   0  -0.315  -3.0532  -1.4787  -1.7597
 BQN  C19   C  CR6   0   0.456  -3.5986  -2.3227  -0.7797
 BQN  O3    O  O2    0  -0.441  -3.8997  -1.7597   0.3971
 BQN  C20   C  CH2   0  -0.276  -4.4325  -2.5770   1.4324
 BQN  C21   C  CR6   0   0.006  -4.6537  -1.6935   2.6183
 BQN  C25   C  CR16  0  -0.166  -5.7235  -0.8074   2.6729
 BQN  C24   C  CR16  0  -0.321  -5.8681   0.0035   3.7854
 BQN  C23   C  CR16  0  -0.062  -4.9334  -0.1018   4.8063
 BQN  N2    N  N     0  -0.402  -3.9068  -0.9422   4.7688
 BQN  C22   C  CR16  0  -0.091  -3.7775  -1.7132   3.6960
 BQN  C18   C  CR16  0  -0.387  -3.7714  -3.6750  -1.0726
 BQN  C17   C  CR16  0  -0.228  -3.4038  -4.1674  -2.3170
 BQN  C16   C  CR16  0  -0.279  -2.8633  -3.3356  -3.2866
 BQN  C15   C  CR16  0  -0.181  -2.6967  -1.9892  -3.0016
 BQN  C26   C  CR16  0  -0.189  -0.5749  -0.6820  -0.3911
 BQN  C27   C  CR16  0  -0.287   0.7205  -0.5751   0.0524
 BQN  C8    C  CR6   0   0.117   1.4464   0.6060  -0.0868
 BQN  C7    C  C1    0  -0.239   2.8170   0.6496   0.4431
 BQN  C6    C  C1    0  -0.399   3.6566  -0.3866   0.4067
 BQN  C1    C  C     0   0.575   4.9855  -0.2861   1.0652
 BQN  O1    O  O     0  -0.501   5.2367   0.6570   1.8094
 BQN  N1    N  NT    0  -0.488   5.8792  -1.2731   0.8340
 BQN  C5    C  CH2   0  -0.334   5.7717  -2.3479  -0.1388
 BQN  C4    C  CH2   0  -0.175   6.9388  -2.2757  -1.1122
 BQN  O2    O  O2    0  -0.480   8.1794  -2.3001  -0.4463
 BQN  C3    C  CH2   0  -0.184   8.2868  -1.2340   0.4714
 BQN  C2    C  CH2   0  -0.334   7.1713  -1.2746   1.5010
 BQN  H20   H  HCH2  0   0.253  -5.3744  -3.0315   1.1092
 BQN  H20A  H  HCH2  0   0.253  -3.7365  -3.3841   1.6815
 BQN  H25   H  HCR6  0   0.274  -6.4373  -0.7571   1.8598
 BQN  H24   H  HCR6  0   0.276  -6.6889   0.7024   3.8670
 BQN  H23   H  HCR6  0   0.268  -5.0217   0.5176   5.6917
 BQN  H22   H  HCR6  0   0.264  -2.9301  -2.3921   3.6900
 BQN  H18   H  HCR6  0   0.293  -4.1857  -4.3560  -0.3417
 BQN  H17   H  HCR6  0   0.271  -3.5454  -5.2201  -2.5239
 BQN  H16   H  HCR6  0   0.264  -2.5792  -3.7263  -4.2538
 BQN  H15   H  HCR6  0   0.276  -2.2852  -1.3204  -3.7466
 BQN  H26   H  HCR6  0   0.287  -1.0735  -1.6360  -0.3079
 BQN  H27   H  HCR6  0   0.284   1.1807  -1.4312   0.5265
 BQN  H7    H  H     0   0.279   3.1414   1.5572   0.9387
 BQN  H6    H  H     0   0.281   3.3618  -1.2983  -0.0937
 BQN  H5    H  HCH2  0   0.254   5.7787  -3.3082   0.3863
 BQN  H5A   H  HCH2  0   0.272   4.8486  -2.2916  -0.7072
 BQN  H4    H  HCH2  0   0.248   6.9073  -3.1351  -1.7828
 BQN  H4A   H  HCH2  0   0.210   6.8432  -1.3650  -1.7200
 BQN  H3    H  HCH2  0   0.246   9.2536  -1.3243   0.9682
 BQN  H3A   H  HCH2  0   0.211   8.2626  -0.2685  -0.0535
 BQN  H2    H  HCH2  0   0.273   7.2484  -0.4229   2.1708
 BQN  H2A   H  HCH2  0   0.252   7.2518  -2.1856   2.1031

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
 BQN  F6   C12   single    1.335  0.020  1.335
 BQN  C12  F4    single    1.333  0.020  1.333
 BQN  C12  F5    single    1.340  0.020  1.340
 BQN  C12  C11   single    1.514  0.020  1.514
 BQN  C11  C9    aromatic  1.406  0.020  1.406
 BQN  C11  C13   aromatic  1.404  0.020  1.404
 BQN  C9   C10   single    1.517  0.020  1.517
 BQN  C9   C8    aromatic  1.402  0.020  1.402
 BQN  C10  F3    single    1.337  0.020  1.337
 BQN  C10  F2    single    1.338  0.020  1.338
 BQN  C10  F1    single    1.335  0.020  1.335
 BQN  C13  S     single    1.778  0.020  1.778
 BQN  C13  C26   aromatic  1.391  0.020  1.391
 BQN  S    C14   single    1.764  0.020  1.764
 BQN  C14  C19   aromatic  1.404  0.020  1.404
 BQN  C14  C15   aromatic  1.389  0.020  1.389
 BQN  C19  O3    single    1.339  0.020  1.339
 BQN  C19  C18   aromatic  1.394  0.020  1.394
 BQN  O3   C20   single    1.423  0.020  1.423
 BQN  C20  C21   single    1.495  0.020  1.495
 BQN  C21  C25   aromatic  1.390  0.020  1.390
 BQN  C21  C22   aromatic  1.389  0.020  1.389
 BQN  C25  C24   aromatic  1.384  0.020  1.384
 BQN  C24  C23   aromatic  1.388  0.020  1.388
 BQN  C23  N2    aromatic  1.327  0.020  1.327
 BQN  N2   C22   aromatic  1.327  0.020  1.327
 BQN  C18  C17   aromatic  1.388  0.020  1.388
 BQN  C17  C16   aromatic  1.387  0.020  1.387
 BQN  C16  C15   aromatic  1.386  0.020  1.386
 BQN  C26  C27   aromatic  1.373  0.020  1.373
 BQN  C27  C8    aromatic  1.393  0.020  1.393
 BQN  C8   C7    single    1.470  0.020  1.470
 BQN  C7   C6    double    1.334  0.020  1.334
 BQN  C6   C1    single    1.487  0.020  1.487
 BQN  C1   O1    double    1.227  0.020  1.227
 BQN  C1   N1    single    1.351  0.020  1.351
 BQN  N1   C5    single    1.454  0.020  1.454
 BQN  N1   C2    single    1.454  0.020  1.454
 BQN  C5   C4    single    1.522  0.020  1.522
 BQN  C4   O2    single    1.408  0.020  1.408
 BQN  O2   C3    single    1.411  0.020  1.411
 BQN  C3   C2    single    1.519  0.020  1.519
 BQN  C20  H20   single    0.970  0.020  1.090
 BQN  C20  H20A  single    0.970  0.020  1.090
 BQN  C25  H25   single    0.930  0.020  1.080
 BQN  C24  H24   single    0.930  0.020  1.080
 BQN  C23  H23   single    0.930  0.020  1.080
 BQN  C22  H22   single    0.930  0.020  1.080
 BQN  C18  H18   single    0.930  0.020  1.080
 BQN  C17  H17   single    0.930  0.020  1.080
 BQN  C16  H16   single    0.930  0.020  1.080
 BQN  C15  H15   single    0.930  0.020  1.080
 BQN  C26  H26   single    0.930  0.020  1.080
 BQN  C27  H27   single    0.930  0.020  1.080
 BQN  C7   H7    single    0.930  0.020  1.080
 BQN  C6   H6    single    0.930  0.020  1.080
 BQN  C5   H5    single    0.970  0.020  1.090
 BQN  C5   H5A   single    0.970  0.020  1.090
 BQN  C4   H4    single    0.970  0.020  1.090
 BQN  C4   H4A   single    0.970  0.020  1.090
 BQN  C3   H3    single    0.970  0.020  1.090
 BQN  C3   H3A   single    0.970  0.020  1.090
 BQN  C2   H2    single    0.970  0.020  1.090
 BQN  C2   H2A   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
 BQN  C11   C12  F5   110.49  3.000
 BQN  C11   C12  F4   112.88  3.000
 BQN  F5    C12  F4   104.96  3.000
 BQN  C11   C12  F6   112.99  3.000
 BQN  F5    C12  F6   106.74  3.000
 BQN  F4    C12  F6   108.31  3.000
 BQN  C13   C11  C9   119.69  3.000
 BQN  C13   C11  C12  118.02  3.000
 BQN  C9    C11  C12  122.22  3.000
 BQN  C8    C9   C10  117.21  3.000
 BQN  C8    C9   C11  120.46  3.000
 BQN  C10   C9   C11  122.09  3.000
 BQN  F1    C10  F2   104.98  3.000
 BQN  F1    C10  F3   108.16  3.000
 BQN  F2    C10  F3   106.78  3.000
 BQN  F1    C10  C9   112.64  3.000
 BQN  F2    C10  C9   110.77  3.000
 BQN  F3    C10  C9   113.03  3.000
 BQN  C26   C13  S    119.71  3.000
 BQN  C26   C13  C11  118.71  3.000
 BQN  S     C13  C11  121.57  3.000
 BQN  C14   S    C13  102.42  3.000
 BQN  C15   C14  C19  120.19  3.000
 BQN  C15   C14  S    119.70  3.000
 BQN  C19   C14  S    119.96  3.000
 BQN  C18   C19  O3   124.37  3.000
 BQN  C18   C19  C14  118.99  3.000
 BQN  O3    C19  C14  116.63  3.000
 BQN  C20   O3   C19  118.84  3.000
 BQN  H20A  C20  H20  107.95  3.000
 BQN  H20A  C20  C21  110.45  3.000
 BQN  H20   C20  C21  110.62  3.000
 BQN  H20A  C20  O3   110.56  3.000
 BQN  H20   C20  O3   110.24  3.000
 BQN  C21   C20  O3   107.04  3.000
 BQN  C22   C21  C25  117.64  3.000
 BQN  C22   C21  C20  120.90  3.000
 BQN  C25   C21  C20  121.45  3.000
 BQN  H25   C25  C24  120.48  3.000
 BQN  H25   C25  C21  120.48  3.000
 BQN  C24   C25  C21  119.04  3.000
 BQN  H24   C24  C23  120.32  3.000
 BQN  H24   C24  C25  121.25  3.000
 BQN  C23   C24  C25  118.44  3.000
 BQN  H23   C23  N2   116.60  3.000
 BQN  H23   C23  C24  120.16  3.000
 BQN  N2    C23  C24  123.24  3.000
 BQN  C22   N2   C23  117.77  3.000
 BQN  H22   C22  N2   116.34  3.000
 BQN  H22   C22  C21  119.79  3.000
 BQN  N2    C22  C21  123.87  3.000
 BQN  H18   C18  C17  118.95  3.000
 BQN  H18   C18  C19  121.08  3.000
 BQN  C17   C18  C19  119.97  3.000
 BQN  H17   C17  C16  120.04  3.000
 BQN  H17   C17  C18  118.81  3.000
 BQN  C16   C17  C18  121.15  3.000
 BQN  H16   C16  C15  120.22  3.000
 BQN  H16   C16  C17  120.73  3.000
 BQN  C15   C16  C17  119.05  3.000
 BQN  H15   C15  C16  120.28  3.000
 BQN  H15   C15  C14  119.06  3.000
 BQN  C16   C15  C14  120.65  3.000
 BQN  H26   C26  C27  118.65  3.000
 BQN  H26   C26  C13  120.52  3.000
 BQN  C27   C26  C13  120.80  3.000
 BQN  H27   C27  C8   119.55  3.000
 BQN  H27   C27  C26  118.78  3.000
 BQN  C8    C27  C26  121.67  3.000
 BQN  C7    C8   C27  118.35  3.000
 BQN  C7    C8   C9   123.63  3.000
 BQN  C27   C8   C9   117.94  3.000
 BQN  H7    C7   C6   118.33  3.000
 BQN  H7    C7   C8   117.95  3.000
 BQN  C6    C7   C8   123.63  3.000
 BQN  H6    C6   C1   120.39  3.000
 BQN  H6    C6   C7   119.74  3.000
 BQN  C1    C6   C7   119.86  3.000
 BQN  N1    C1   O1   121.98  3.000
 BQN  N1    C1   C6   117.77  3.000
 BQN  O1    C1   C6   120.24  3.000
 BQN  C2    N1   C5   111.83  3.000
 BQN  C2    N1   C1   120.66  3.000
 BQN  C5    N1   C1   127.27  3.000
 BQN  H5A   C5   H5   107.59  3.000
 BQN  H5A   C5   C4   108.35  3.000
 BQN  H5    C5   C4   110.10  3.000
 BQN  H5A   C5   N1   112.02  3.000
 BQN  H5    C5   N1   109.10  3.000
 BQN  C4    C5   N1   109.65  3.000
 BQN  H4A   C4   H4   108.08  3.000
 BQN  H4A   C4   O2   110.64  3.000
 BQN  H4    C4   O2   107.62  3.000
 BQN  H4A   C4   C5   109.05  3.000
 BQN  H4    C4   C5   109.50  3.000
 BQN  O2    C4   C5   111.86  3.000
 BQN  C3    O2   C4   111.20  3.000
 BQN  H3A   C3   H3   108.04  3.000
 BQN  H3A   C3   C2   109.33  3.000
 BQN  H3    C3   C2   109.88  3.000
 BQN  H3A   C3   O2   110.58  3.000
 BQN  H3    C3   O2   107.53  3.000
 BQN  C2    C3   O2   111.41  3.000
 BQN  H2A   C2   H2   107.95  3.000
 BQN  H2A   C2   C3   109.94  3.000
 BQN  H2    C2   C3   110.18  3.000
 BQN  H2A   C2   N1   108.56  3.000
 BQN  H2    C2   N1   110.19  3.000
 BQN  C3    C2   N1   109.98  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
 BQN  CONST_01  C27  C8   C9   C11     0.00   0.0  0
 BQN  CONST_02  C27  C26  C13  C11     0.00   0.0  0
 BQN  CONST_03  C26  C13  C11  C9      0.00   0.0  0
 BQN  CONST_04  C26  C27  C8   C9      0.00   0.0  0
 BQN  CONST_05  C8   C9   C11  C13     0.00   0.0  0
 BQN  CONST_06  C8   C27  C26  C13     0.00   0.0  0
 BQN  CONST_07  C17  C18  C19  C14     0.00   0.0  0
 BQN  CONST_08  C17  C16  C15  C14     0.00   0.0  0
 BQN  CONST_09  C16  C15  C14  C19     0.00   0.0  0
 BQN  CONST_10  C16  C17  C18  C19     0.00   0.0  0
 BQN  CONST_11  C23  C24  C25  C21     0.00   0.0  0
 BQN  CONST_12  C23  N2   C22  C21     0.00   0.0  0
 BQN  CONST_13  N2   C22  C21  C25     0.00   0.0  0
 BQN  CONST_14  N2   C23  C24  C25     0.00   0.0  0
 BQN  CONST_15  C22  C21  C25  C24     0.00   0.0  0
 BQN  CONST_16  C22  N2   C23  C24     0.00   0.0  0
 BQN  CONST_17  C15  C14  C19  C18     0.00   0.0  0
 BQN  CONST_18  C15  C16  C17  C18     0.00   0.0  0
 BQN  CONST_19  C8   C9   C11  C12   180.00   0.0  0
 BQN  CONST_20  C26  C13  C11  C12   180.00   0.0  0
 BQN  CONST_21  C7   C8   C9   C11   180.00   0.0  0
 BQN  CONST_22  S    C13  C11  C9    180.00   0.0  0
 BQN  CONST_24  C27  C8   C9   C10   180.00   0.0  0
 BQN  CONST_25  C27  C26  C13  S     180.00   0.0  0
 BQN  CONST_26  C18  C19  C14  S     180.00   0.0  0
 BQN  CONST_27  C16  C15  C14  S     180.00   0.0  0
 BQN  CONST_28  C15  C14  C19  O3    180.00   0.0  0
 BQN  CONST_29  C17  C18  C19  O3    180.00   0.0  0
 BQN  CONST_30  C24  C25  C21  C20   180.00   0.0  0
 BQN  CONST_31  N2   C22  C21  C20   180.00   0.0  0
 BQN  CONST_32  C7   C8   C27  C26   180.00   0.0  0
 BQN  CONST_33  H26  C26  C13  C11   180.00   0.0  0
 BQN  CONST_34  H27  C27  C8   C9    180.00   0.0  0
 BQN  CONST_35  H18  C18  C19  C14   180.00   0.0  0
 BQN  CONST_36  H16  C16  C15  C14   180.00   0.0  0
 BQN  CONST_37  H15  C15  C14  C19   180.00   0.0  0
 BQN  CONST_38  H17  C17  C18  C19   180.00   0.0  0
 BQN  CONST_39  H24  C24  C25  C21   180.00   0.0  0
 BQN  CONST_40  H22  C22  C21  C25   180.00   0.0  0
 BQN  CONST_41  H23  C23  C24  C25   180.00   0.0  0
 BQN  CONST_42  H25  C25  C24  C23   180.00   0.0  0
 BQN  CONST_43  C5   N1   C1   C6      0.00   0.0  0
 BQN  CONST_44  C2   N1   C1   C6    180.00   0.0  0
 BQN  CONST_45  C5   N1   C1   O1    180.00   0.0  0
 BQN  CONST_46  C2   N1   C1   O1      0.00   0.0  0
 BQN  Var_01    O2   C4   C5   N1     55.58  30.0  1
 BQN  Var_02    O2   C3   C2   N1    -55.95  30.0  1
 BQN  Var_03    C3   C2   N1   C5     54.49  30.0  1
 BQN  Var_04    C2   N1   C5   C4    -54.05  30.0  1
 BQN  Var_05    C2   C3   O2   C4     58.16  30.0  1
 BQN  Var_06    C19  C14  S    C13    96.59  30.0  2
 BQN  Var_07    C26  C13  S    C14   -21.04  30.0  2
 BQN  Var_08    C9   C11  C12  F6     96.97  30.0  2
 BQN  Var_09    F3   C10  C9   C11    95.55  30.0  2
 BQN  Var_10    C6   C7   C8   C9   -147.13  30.0  2
 BQN  Var_11    C21  C20  O3   C19   179.35  30.0  3
 BQN  Var_12    C25  C21  C20  O3     75.64  30.0  2
 BQN  Var_13    C18  C19  O3   C20     0.02  30.0  1
 BQN  Var_14    C1   C6   C7   C8   -175.04   0.0  2
 BQN  Var_15    N1   C1   C6   C7   -170.17  30.0  2

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
 BQN  plan-1  C12  0.020
 BQN  plan-1  C11  0.020
 BQN  plan-1  C9   0.020
 BQN  plan-1  C10  0.020
 BQN  plan-1  C13  0.020
 BQN  plan-1  S    0.020
 BQN  plan-1  C26  0.020
 BQN  plan-1  C27  0.020
 BQN  plan-1  C8   0.020
 BQN  plan-1  C7   0.020
 BQN  plan-1  H26  0.020
 BQN  plan-1  H27  0.020
 BQN  plan-2  S    0.020
 BQN  plan-2  C14  0.020
 BQN  plan-2  C19  0.020
 BQN  plan-2  O3   0.020
 BQN  plan-2  C18  0.020
 BQN  plan-2  C17  0.020
 BQN  plan-2  C16  0.020
 BQN  plan-2  C15  0.020
 BQN  plan-2  H18  0.020
 BQN  plan-2  H17  0.020
 BQN  plan-2  H16  0.020
 BQN  plan-2  H15  0.020
 BQN  plan-3  C20  0.020
 BQN  plan-3  C21  0.020
 BQN  plan-3  C25  0.020
 BQN  plan-3  C24  0.020
 BQN  plan-3  C23  0.020
 BQN  plan-3  N2   0.020
 BQN  plan-3  C22  0.020
 BQN  plan-3  H25  0.020
 BQN  plan-3  H24  0.020
 BQN  plan-3  H23  0.020
 BQN  plan-3  H22  0.020
 BQN  plan-4  C6   0.020
 BQN  plan-4  C1   0.020
 BQN  plan-4  O1   0.020
 BQN  plan-4  N1   0.020
 BQN  plan-4  C5   0.020
 BQN  plan-4  C2   0.020
 BQN  plan-5  C8   0.020
 BQN  plan-5  C7   0.020
 BQN  plan-5  C6   0.020
 BQN  plan-5  C1   0.020
 BQN  plan-5  H7   0.020
 BQN  plan-5  H6   0.020

