# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr 19 19:23:53 2020
#   Inital geometry file: a 147 line input string
#   Ligand name: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c4sccc4
#
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
 BX7  BX7  N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide  ligand  60  34  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_BX7
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
 BX7  I01  I  I     0   0.075    2.4776   4.3079  -0.8775
 BX7  S02  S  S2    0   0.234    7.7817  -4.1407  -1.2367
 BX7  O03  O  O     0  -0.532   -5.4976  -2.7314   0.7939
 BX7  O04  O  O     0  -0.484    5.8333  -2.3442   1.6720
 BX7  N05  N  NT    0  -0.514   -7.6495  -3.2550   0.3660
 BX7  N08  N  NH1   0  -0.772   -2.4595   0.7417  -0.3421
 BX7  N09  N  NH1   0  -0.658    5.1211  -2.8202  -0.4192
 BX7  N10  N  N     0  -0.529   -0.2151   0.9460  -0.3929
 BX7  N11  N  N     0  -0.491   -1.5716   2.8745  -0.6463
 BX7  C12  C  CH2   0  -0.482   -8.9713  -5.0825   0.9687
 BX7  C13  C  CH2   0  -0.474   -9.6103  -4.3838  -0.2270
 BX7  C14  C  CH2   0  -0.304   -8.9662  -3.0016  -0.2080
 BX7  C15  C  CH2   0  -0.250   -7.5279  -4.5952   0.9271
 BX7  C16  C  C     0   0.739   -6.6043  -2.4014   0.3824
 BX7  C17  C  CR6   0   0.402   -6.0194  -0.0590  -0.2317
 BX7  C18  C  CR16  0  -0.453   -4.6330  -0.1585  -0.2069
 BX7  C19  C  CH2   0  -0.489    3.6154  -0.8559  -0.4220
 BX7  C20  C  CR16  0  -0.380   -6.6080   1.1935  -0.4436
 BX7  C22  C  CR6   0   0.401   -3.8300   0.9758  -0.3848
 BX7  C23  C  CH2   0  -0.284    3.7651  -2.3601  -0.2191
 BX7  C24  C  CR16  0  -0.232   -5.8060   2.3034  -0.6211
 BX7  C25  C  CR16  0  -0.343   -4.4200   2.2224  -0.5934
 BX7  C26  C  CR6   0   0.604    0.8984   1.6615  -0.5054
 BX7  C27  C  CR6   0   0.613   -1.3888   1.5726  -0.4696
 BX7  C28  C  CR6   0  -0.411    0.8024   3.0674  -0.6918
 BX7  C29  C  C     0   0.552    6.0598  -2.7539   0.5416
 BX7  C30  C  CR16  0   0.014   -0.4597   3.6000  -0.7530
 BX7  C31  C  CR5   0  -0.316    7.4158  -3.2188   0.1747
 BX7  C32  C  CR15  0  -0.188    8.5450  -2.9864   0.9092
 BX7  C33  C  CR15  0  -0.175    9.7080  -3.5413   0.3230
 BX7  C34  C  CR15  0  -0.450    9.4425  -4.1947  -0.8436
 BX7  H1   H  HNH1  0   0.423   -7.8525  -0.9132  -0.2576
 BX7  H2   H  HNH1  0   0.402    2.9180   1.5430  -0.4698
 BX7  H3   H  HNH1  0   0.408   -2.1931  -0.2203  -0.1962
 BX7  H4   H  HNH1  0   0.404    5.3926  -3.0175  -1.3689
 BX7  H5   H  HCH2  0   0.239   -9.4510  -4.7596   1.8954
 BX7  H6   H  HCH2  0   0.252   -9.0417  -6.1682   0.9180
 BX7  H7   H  HCH2  0   0.242   -9.3482  -4.9025  -1.1512
 BX7  H8   H  HCH2  0   0.254  -10.6964  -4.3307  -0.1687
 BX7  H9   H  HCH2  0   0.245   -9.5430  -2.3077   0.4135
 BX7  H10  H  HCH2  0   0.255   -8.8918  -2.5754  -1.2109
 BX7  H11  H  HCH2  0   0.232   -6.9118  -5.2333   0.2865
 BX7  H12  H  HCH2  0   0.245   -7.0651  -4.5699   1.9136
 BX7  H13  H  HCR6  0   0.284   -4.1602  -1.1154  -0.0466
 BX7  H14  H  HCH2  0   0.244    3.9587  -0.5900  -1.4256
 BX7  H15  H  HCH2  0   0.246    4.2551  -0.3292   0.2912
 BX7  H16  H  HCR6  0   0.263   -7.6868   1.2905  -0.4645
 BX7  H17  H  HCH2  0   0.237    1.8150  -0.6888   0.7573
 BX7  H18  H  HCH2  0   0.241    1.5295  -0.9355  -0.9577
 BX7  H19  H  HCH2  0   0.258    3.1322  -2.8983  -0.9257
 BX7  H20  H  HCH2  0   0.249    3.4372  -2.6433   0.7814
 BX7  H21  H  HCR6  0   0.256   -6.2699   3.2677  -0.7851
 BX7  H22  H  HCR6  0   0.281   -3.8163   3.1034  -0.7314
 BX7  H23  H  HCR6  0   0.279   -0.6001   4.6660  -0.8953
 BX7  H24  H  HCR5  0   0.273    8.5419  -2.4278   1.8340
 BX7  H25  H  HCR5  0   0.275   10.6977  -3.4608   0.7479
 BX7  H26  H  HCR5  0   0.307   10.1346  -4.7131  -1.4893
 BX7  N07  N  NH1   0  -0.669    2.0632   1.0115  -0.4445
 BX7  N06  N  NH1   0  -0.806   -6.8851  -1.1414  -0.0940
 BX7  C21  C  CH2   0  -0.242    2.1719  -0.4182  -0.2418

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
 BX7  C34  C33  aromatic  1.363  0.020  1.363
 BX7  C34  S02  aromatic  1.708  0.020  1.708
 BX7  C33  C32  aromatic  1.416  0.020  1.416
 BX7  S02  C31  aromatic  1.725  0.020  1.725
 BX7  C32  C31  aromatic  1.367  0.020  1.367
 BX7  C31  C29  single    1.480  0.020  1.480
 BX7  C29  O04  double    1.223  0.020  1.223
 BX7  C29  N09  single    1.345  0.020  1.345
 BX7  N09  C23  single    1.446  0.020  1.446
 BX7  I01  C28  single    2.093  0.020  2.093
 BX7  C23  C19  single    1.525  0.020  1.525
 BX7  N07  C21  single    1.448  0.020  1.448
 BX7  N07  C26  single    1.335  0.020  1.335
 BX7  C21  C19  single    1.519  0.020  1.519
 BX7  C28  C26  aromatic  1.421  0.020  1.421
 BX7  C28  C30  aromatic  1.371  0.020  1.371
 BX7  C26  N10  aromatic  1.328  0.020  1.328
 BX7  C30  N11  aromatic  1.332  0.020  1.332
 BX7  N10  C27  aromatic  1.333  0.020  1.333
 BX7  N11  C27  aromatic  1.326  0.020  1.326
 BX7  C27  N08  single    1.361  0.020  1.361
 BX7  C25  C24  aromatic  1.389  0.020  1.389
 BX7  C25  C22  aromatic  1.395  0.020  1.395
 BX7  C24  C20  aromatic  1.381  0.020  1.381
 BX7  N08  C22  single    1.391  0.020  1.391
 BX7  C22  C18  aromatic  1.401  0.020  1.401
 BX7  C20  C17  aromatic  1.400  0.020  1.400
 BX7  C18  C17  aromatic  1.390  0.020  1.390
 BX7  C17  N06  single    1.393  0.020  1.393
 BX7  O03  C16  double    1.226  0.020  1.226
 BX7  N06  C16  single    1.376  0.020  1.376
 BX7  C16  N05  single    1.350  0.020  1.350
 BX7  N05  C15  single    1.458  0.020  1.458
 BX7  N05  C14  single    1.459  0.020  1.459
 BX7  C15  C12  single    1.524  0.020  1.524
 BX7  C14  C13  single    1.525  0.020  1.525
 BX7  C12  C13  single    1.525  0.020  1.525
 BX7  N06  H1   single    0.860  0.020  1.020
 BX7  N07  H2   single    0.860  0.020  1.020
 BX7  N08  H3   single    0.860  0.020  1.020
 BX7  N09  H4   single    0.860  0.020  1.020
 BX7  C12  H5   single    0.970  0.020  1.090
 BX7  C12  H6   single    0.970  0.020  1.090
 BX7  C13  H7   single    0.970  0.020  1.090
 BX7  C13  H8   single    0.970  0.020  1.090
 BX7  C14  H9   single    0.970  0.020  1.090
 BX7  C14  H10  single    0.970  0.020  1.090
 BX7  C15  H11  single    0.970  0.020  1.090
 BX7  C15  H12  single    0.970  0.020  1.090
 BX7  C18  H13  single    0.930  0.020  1.080
 BX7  C19  H14  single    0.970  0.020  1.090
 BX7  C19  H15  single    0.970  0.020  1.090
 BX7  C20  H16  single    0.930  0.020  1.080
 BX7  C21  H17  single    0.970  0.020  1.090
 BX7  C21  H18  single    0.970  0.020  1.090
 BX7  C23  H19  single    0.970  0.020  1.090
 BX7  C23  H20  single    0.970  0.020  1.090
 BX7  C24  H21  single    0.930  0.020  1.080
 BX7  C25  H22  single    0.930  0.020  1.080
 BX7  C30  H23  single    0.930  0.020  1.080
 BX7  C32  H24  single    0.930  0.020  1.080
 BX7  C33  H25  single    0.930  0.020  1.080
 BX7  C34  H26  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
 BX7  C34  S02  C31   92.00  3.000
 BX7  C16  N05  C15  120.81  3.000
 BX7  C15  N05  C14  112.73  3.000
 BX7  C16  N05  C14  126.45  3.000
 BX7  H3   N08  C27  112.82  3.000
 BX7  H3   N08  C22  115.16  3.000
 BX7  C27  N08  C22  132.02  3.000
 BX7  H4   N09  C29  119.67  3.000
 BX7  H4   N09  C23  116.46  3.000
 BX7  C29  N09  C23  122.69  3.000
 BX7  C27  N10  C26  118.69  3.000
 BX7  C30  N11  C27  115.48  3.000
 BX7  H6   C12  H5   107.80  3.000
 BX7  H6   C12  C15  112.25  3.000
 BX7  H5   C12  C15  110.16  3.000
 BX7  H6   C12  C13  113.15  3.000
 BX7  H5   C12  C13  110.22  3.000
 BX7  C15  C12  C13  103.24  3.000
 BX7  H8   C13  H7   107.93  3.000
 BX7  H8   C13  C14  112.11  3.000
 BX7  H7   C13  C14  109.86  3.000
 BX7  H8   C13  C12  113.47  3.000
 BX7  H7   C13  C12  110.21  3.000
 BX7  C14  C13  C12  103.21  3.000
 BX7  H10  C14  H9   108.04  3.000
 BX7  H10  C14  C13  111.78  3.000
 BX7  H9   C14  C13  111.02  3.000
 BX7  H10  C14  N05  111.57  3.000
 BX7  H9   C14  N05  111.23  3.000
 BX7  C13  C14  N05  103.22  3.000
 BX7  H12  C15  H11  107.72  3.000
 BX7  H12  C15  C12  112.64  3.000
 BX7  H11  C15  C12  111.28  3.000
 BX7  H12  C15  N05  111.24  3.000
 BX7  H11  C15  N05  110.96  3.000
 BX7  C12  C15  N05  103.03  3.000
 BX7  N06  C16  N05  114.64  3.000
 BX7  N05  C16  O03  122.21  3.000
 BX7  N06  C16  O03  123.15  3.000
 BX7  C20  C17  C18  119.08  3.000
 BX7  C18  C17  N06  124.23  3.000
 BX7  C20  C17  N06  116.67  3.000
 BX7  H13  C18  C22  119.05  3.000
 BX7  H13  C18  C17  120.20  3.000
 BX7  C22  C18  C17  120.75  3.000
 BX7  H15  C19  H14  107.33  3.000
 BX7  H15  C19  C23  109.32  3.000
 BX7  H14  C19  C23  109.33  3.000
 BX7  H15  C19  C21  109.87  3.000
 BX7  H14  C19  C21  109.70  3.000
 BX7  C23  C19  C21  111.20  3.000
 BX7  H16  C20  C24  120.26  3.000
 BX7  H16  C20  C17  120.11  3.000
 BX7  C24  C20  C17  119.63  3.000
 BX7  C25  C22  C18  120.01  3.000
 BX7  C18  C22  N08  115.12  3.000
 BX7  C25  C22  N08  124.87  3.000
 BX7  H20  C23  H19  106.97  3.000
 BX7  H20  C23  C19  110.41  3.000
 BX7  H19  C23  C19  110.09  3.000
 BX7  H20  C23  N09  109.05  3.000
 BX7  H19  C23  N09  107.31  3.000
 BX7  C19  C23  N09  112.80  3.000
 BX7  H21  C24  C25  118.86  3.000
 BX7  H21  C24  C20  119.11  3.000
 BX7  C25  C24  C20  122.02  3.000
 BX7  H22  C25  C24  120.61  3.000
 BX7  H22  C25  C22  120.88  3.000
 BX7  C24  C25  C22  118.51  3.000
 BX7  C28  C26  N10  119.16  3.000
 BX7  N10  C26  N07  117.73  3.000
 BX7  C28  C26  N07  123.11  3.000
 BX7  N11  C27  N10  126.20  3.000
 BX7  N11  C27  N08  120.21  3.000
 BX7  N10  C27  N08  113.60  3.000
 BX7  C30  C28  C26  116.88  3.000
 BX7  C30  C28  I01  120.17  3.000
 BX7  C26  C28  I01  122.95  3.000
 BX7  C31  C29  N09  116.56  3.000
 BX7  N09  C29  O04  123.18  3.000
 BX7  C31  C29  O04  120.26  3.000
 BX7  H23  C30  C28  120.45  3.000
 BX7  H23  C30  N11  115.97  3.000
 BX7  C28  C30  N11  123.59  3.000
 BX7  C32  C31  C29  124.78  3.000
 BX7  C29  C31  S02  124.41  3.000
 BX7  C32  C31  S02  110.81  3.000
 BX7  H24  C32  C33  124.02  3.000
 BX7  H24  C32  C31  123.06  3.000
 BX7  C33  C32  C31  112.92  3.000
 BX7  H25  C33  C34  123.43  3.000
 BX7  H25  C33  C32  124.11  3.000
 BX7  C34  C33  C32  112.47  3.000
 BX7  H26  C34  C33  128.12  3.000
 BX7  H26  C34  S02  120.09  3.000
 BX7  C33  C34  S02  111.80  3.000
 BX7  H2   N07  C26  118.85  3.000
 BX7  H2   N07  C21  117.45  3.000
 BX7  C26  N07  C21  123.53  3.000
 BX7  H1   N06  C17  113.88  3.000
 BX7  H1   N06  C16  117.36  3.000
 BX7  C17  N06  C16  128.24  3.000
 BX7  H18  C21  H17  106.82  3.000
 BX7  H18  C21  C19  110.16  3.000
 BX7  H17  C21  C19  110.29  3.000
 BX7  H18  C21  N07  109.38  3.000
 BX7  H17  C21  N07  110.32  3.000
 BX7  C19  C21  N07  109.83  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
 BX7  CONST_01  C32  C33  C34  S02     0.00   0.0  0
 BX7  CONST_02  C33  C32  C31  S02     0.00   0.0  0
 BX7  CONST_03  C30  C28  C26  N10     0.00   0.0  0
 BX7  CONST_04  C30  N11  C27  N10     0.00   0.0  0
 BX7  CONST_05  C26  C28  C30  N11     0.00   0.0  0
 BX7  CONST_06  C26  N10  C27  N11     0.00   0.0  0
 BX7  CONST_07  C25  C24  C20  C17     0.00   0.0  0
 BX7  CONST_08  C25  C22  C18  C17     0.00   0.0  0
 BX7  CONST_09  C24  C25  C22  C18     0.00   0.0  0
 BX7  CONST_10  C24  C20  C17  C18     0.00   0.0  0
 BX7  CONST_11  C22  C25  C24  C20     0.00   0.0  0
 BX7  CONST_12  C22  C18  C17  C20     0.00   0.0  0
 BX7  CONST_13  C28  C26  N10  C27     0.00   0.0  0
 BX7  CONST_14  C28  C30  N11  C27     0.00   0.0  0
 BX7  CONST_15  C33  C34  S02  C31     0.00   0.0  0
 BX7  CONST_16  C34  C33  C32  C31     0.00   0.0  0
 BX7  CONST_17  C34  S02  C31  C32     0.00   0.0  0
 BX7  CONST_18  N10  C26  C28  I01   180.00   0.0  0
 BX7  CONST_19  N11  C30  C28  I01   180.00   0.0  0
 BX7  CONST_20  C24  C20  C17  N06   180.00   0.0  0
 BX7  CONST_21  C22  C18  C17  N06   180.00   0.0  0
 BX7  CONST_22  C30  C28  C26  N07   180.00   0.0  0
 BX7  CONST_23  C27  N10  C26  N07   180.00   0.0  0
 BX7  CONST_24  C26  N10  C27  N08   180.00   0.0  0
 BX7  CONST_25  C30  N11  C27  N08   180.00   0.0  0
 BX7  CONST_26  C24  C25  C22  N08   180.00   0.0  0
 BX7  CONST_27  C17  C18  C22  N08   180.00   0.0  0
 BX7  CONST_28  C34  S02  C31  C29   180.00   0.0  0
 BX7  CONST_29  C33  C32  C31  C29   180.00   0.0  0
 BX7  CONST_30  H25  C33  C34  S02   180.00   0.0  0
 BX7  CONST_31  H24  C32  C31  S02   180.00   0.0  0
 BX7  CONST_32  H21  C24  C20  C17   180.00   0.0  0
 BX7  CONST_33  H22  C25  C22  C18   180.00   0.0  0
 BX7  CONST_34  H16  C20  C17  C18   180.00   0.0  0
 BX7  CONST_35  H13  C18  C17  C20   180.00   0.0  0
 BX7  CONST_36  H23  C30  C28  C26   180.00   0.0  0
 BX7  CONST_37  H26  C34  S02  C31   180.00   0.0  0
 BX7  CONST_38  C15  N05  C16  O03     0.00   0.0  0
 BX7  CONST_39  C14  N05  C16  O03   180.00   0.0  0
 BX7  CONST_40  C17  N06  C16  N05   180.00   0.0  0
 BX7  CONST_41  C21  N07  C26  N10     0.00   0.0  0
 BX7  CONST_42  C20  C17  N06  C16   180.00   0.0  0
 BX7  CONST_44  C28  C26  N07  C21   180.00   0.0  0
 BX7  CONST_45  C15  N05  C16  N06   180.00   0.0  0
 BX7  CONST_46  C14  N05  C16  N06     0.00   0.0  0
 BX7  CONST_47  H2   N07  C26  N10   180.00   0.0  0
 BX7  CONST_48  H1   N06  C17  C18   180.00   0.0  0
 BX7  CONST_49  C17  N06  C16  O03     0.00   0.0  0
 BX7  CONST_50  C31  C29  N09  C23   180.00   0.0  0
 BX7  CONST_51  H4   N09  C29  C31     0.00   0.0  0
 BX7  CONST_52  C23  N09  C29  O04     0.00   0.0  0
 BX7  Var_01    C13  C12  C15  N05    31.42  30.0  1
 BX7  Var_02    C12  C13  C14  N05    30.26  30.0  1
 BX7  Var_03    C14  N05  C15  C12   -12.92  30.0  1
 BX7  Var_04    C15  N05  C14  C13   -10.96  30.0  1
 BX7  Var_05    C15  C12  C13  C14   -38.49  30.0  1
 BX7  Var_06    C22  N08  C27  N10  -178.72  30.0  2
 BX7  Var_07    C27  N08  C22  C18  -179.95  30.0  2
 BX7  Var_08    O04  C29  C31  S02   165.33  30.0  2
 BX7  Var_09    C26  N07  C21  C19   171.93  30.0  1
 BX7  Var_10    C23  C19  C21  N07  -179.83  30.0  3
 BX7  Var_11    C21  C19  C23  N09   178.40  30.0  3
 BX7  Var_12    C29  N09  C23  C19    83.01  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
 BX7  plan-1  S02  0.020
 BX7  plan-1  C29  0.020
 BX7  plan-1  C31  0.020
 BX7  plan-1  C32  0.020
 BX7  plan-1  C33  0.020
 BX7  plan-1  C34  0.020
 BX7  plan-1  H24  0.020
 BX7  plan-1  H25  0.020
 BX7  plan-1  H26  0.020
 BX7  plan-2  N08  0.020
 BX7  plan-2  C17  0.020
 BX7  plan-2  C18  0.020
 BX7  plan-2  C20  0.020
 BX7  plan-2  C22  0.020
 BX7  plan-2  C24  0.020
 BX7  plan-2  C25  0.020
 BX7  plan-2  H13  0.020
 BX7  plan-2  H16  0.020
 BX7  plan-2  H21  0.020
 BX7  plan-2  H22  0.020
 BX7  plan-2  N06  0.020
 BX7  plan-3  I01  0.020
 BX7  plan-3  N08  0.020
 BX7  plan-3  N10  0.020
 BX7  plan-3  N11  0.020
 BX7  plan-3  C26  0.020
 BX7  plan-3  C27  0.020
 BX7  plan-3  C28  0.020
 BX7  plan-3  C30  0.020
 BX7  plan-3  H23  0.020
 BX7  plan-3  N07  0.020
 BX7  plan-4  O04  0.020
 BX7  plan-4  N09  0.020
 BX7  plan-4  C23  0.020
 BX7  plan-4  C29  0.020
 BX7  plan-4  C31  0.020
 BX7  plan-4  H4   0.020
 BX7  plan-5  C26  0.020
 BX7  plan-5  H2   0.020
 BX7  plan-5  N07  0.020
 BX7  plan-5  C21  0.020
 BX7  plan-6  O03  0.020
 BX7  plan-6  N05  0.020
 BX7  plan-6  C14  0.020
 BX7  plan-6  C15  0.020
 BX7  plan-6  C16  0.020
 BX7  plan-6  C17  0.020
 BX7  plan-6  H1   0.020
 BX7  plan-6  N06  0.020

