# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr 18 22:40:10 2020
#   Inital geometry file: a 160 line input string
#   Ligand name: (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(=N)N1CCC(CC1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(N)=N)C(O)=O
#
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
 BX3  BX3  '(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]propanoic acid'  ligand  63  34  .  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_BX3
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
 BX3  N1    N  N      0  -0.653  -3.9241   0.4795  -7.4349
 BX3  C2    C  C      0   0.335  -2.7826   0.5363  -8.0066
 BX3  N3    N  NH2    0  -0.822  -2.5383   0.9934  -9.2704
 BX3  C4    C  C      0   0.044  -1.5899   0.0154  -7.2824
 BX3  C5    C  C1     0  -0.296  -0.4687  -0.4935  -7.9831
 BX3  C6    C  C1     0  -0.300   0.6159  -0.9765  -7.3052
 BX3  C7    C  CR6    0   0.093   0.6496  -0.9719  -5.8928
 BX3  C8    C  CR6    0   0.170  -0.4687  -0.4648  -5.1840
 BX3  C9    C  C1     0  -0.356  -1.5794   0.0171  -5.9097
 BX3  C10   C  CR16   0  -0.299   1.7535  -1.4596  -5.1572
 BX3  C11   C  CR16   0  -0.292   1.7451  -1.4397  -3.7904
 BX3  C12   C  CR16   0  -0.397  -0.4429  -0.4600  -3.7693
 BX3  C13   C  CR6    0   0.132   0.6355  -0.9351  -3.0672
 BX3  C14   C  CH2    0  -0.491   0.6553  -0.8993  -1.5646
 BX3  C15   C  CH1    0  -0.417   1.2462   0.4094  -1.0190
 BX3  C16   C  CR6    0   0.142   1.1759   0.4836   0.4847
 BX3  C17   C  CR16   0  -0.320   0.7382   1.6467   1.1121
 BX3  C18   C  CR16   0  -0.326   0.7106   1.7627   2.4967
 BX3  C19   C  CR6    0   0.332   1.1355   0.7047   3.2877
 BX3  C20   C  CR16   0  -0.317   1.5698  -0.4696   2.6792
 BX3  C21   C  CR16   0  -0.300   1.5918  -0.5720   1.2975
 BX3  C22   C  C      0   0.437   2.7234   0.5996  -1.4580
 BX3  O23   O  O      0  -0.600   3.4988  -0.3399  -1.1939
 BX3  O24   O  OC    -1  -0.604   3.0126   1.6756  -2.0124
 BX3  O25   O  O2     0  -0.515   1.1616   0.8396   4.6444
 BX3  C26   C  CH1    0   0.044   0.2297   0.0486   5.3802
 BX3  C27   C  CH2    0  -0.447  -1.1119   0.7502   5.4989
 BX3  N28   N  NT     0  -0.455  -1.4861  -0.3199   7.6807
 BX3  C29   C  CH2    0  -0.314  -0.2000  -0.9947   7.5993
 BX3  C30   C  CH2    0  -0.459   0.7957  -0.2049   6.7619
 BX3  C31   C  C      0   0.414  -2.2712  -0.3915   8.8057
 BX3  N32   N  N      0  -0.684  -3.5233  -0.1317   8.8834
 BX3  C33   C  CH3    0  -0.765  -1.5828  -0.7786  10.0885
 BX3  C34   C  CH2    0  -0.318  -2.0688  -0.0448   6.3791
 BX3  HN1   H  H      0   0.323  -4.6451   0.9013  -8.0141
 BX3  HN31  H  HNH2   0   0.391  -3.2863   1.4794  -9.7396
 BX3  HN32  H  HNH2   0   0.395  -1.6261   1.3675  -9.4749
 BX3  H5    H  H      0   0.257  -0.4733  -0.5265  -9.0649
 BX3  H6    H  H      0   0.256   1.4627  -1.3756  -7.8506
 BX3  H9    H  H      0   0.250  -2.4345   0.4047  -5.3699
 BX3  H10   H  HCR6   0   0.252   2.6096  -1.8549  -5.6907
 BX3  H11   H  HCR6   0   0.248   2.6013  -1.8102  -3.2421
 BX3  H12   H  HCR6   0   0.242  -1.3057  -0.0731  -3.2372
 BX3  H141  H  HCH2   0   0.244   1.2230  -1.7510  -1.1857
 BX3  H142  H  HCH2   0   0.242  -0.3657  -1.0091  -1.1903
 BX3  H15   H  HCH1   0   0.228   0.6564   1.2373  -1.4240
 BX3  H17   H  HCR6   0   0.246   0.4036   2.4834   0.5099
 BX3  H18   H  HCR6   0   0.254   0.3663   2.6790   2.9603
 BX3  H20   H  HCR6   0   0.260   1.9135  -1.3003   3.2848
 BX3  H21   H  HCR6   0   0.247   1.9514  -1.4899   0.8533
 BX3  H26   H  HCH1   0   0.219   0.0874  -0.9169   4.8753
 BX3  H271  H  HCH2   0   0.234  -0.9614   1.7444   5.9296
 BX3  H272  H  HCH2   0   0.248  -1.5718   0.8835   4.5166
 BX3  H291  H  HCH2   0   0.278   0.2157  -1.1406   8.5913
 BX3  H292  H  HCH2   0   0.230  -0.3310  -1.9944   7.1631
 BX3  H301  H  HCH2   0   0.235   1.0159   0.7466   7.2547
 BX3  H302  H  HCH2   0   0.250   1.7284  -0.7697   6.6968
 BX3  HN3   H  H      0   0.320  -3.9409   0.0918   7.9870
 BX3  H331  H  HCH3   0   0.261  -2.2878  -0.6635  10.9069
 BX3  H332  H  HCH3   0   0.256  -1.2511  -1.8179  10.0726
 BX3  H333  H  HCH3   0   0.252  -0.7093  -0.1590  10.2939
 BX3  H341  H  HCH2   0   0.235  -2.3469  -0.9825   5.8804
 BX3  H342  H  HCH2   0   0.254  -2.9812   0.5376   6.4887

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
 BX3  N1   C2    double    1.278  0.020  1.278
 BX3  N1   HN1   single    0.890  0.020  1.040
 BX3  C2   N3    single    1.366  0.020  1.366
 BX3  C2   C4    single    1.489  0.020  1.489
 BX3  N3   HN31  single    0.890  0.020  1.040
 BX3  N3   HN32  single    0.890  0.020  1.040
 BX3  C4   C5    aromatic  1.417  0.020  1.417
 BX3  C4   C9    aromatic  1.373  0.020  1.373
 BX3  C5   C6    aromatic  1.367  0.020  1.367
 BX3  C5   H5    single    0.930  0.020  1.080
 BX3  C6   C7    aromatic  1.413  0.020  1.413
 BX3  C6   H6    single    0.930  0.020  1.080
 BX3  C7   C8    aromatic  1.418  0.020  1.418
 BX3  C7   C10   aromatic  1.413  0.020  1.413
 BX3  C8   C9    aromatic  1.412  0.020  1.412
 BX3  C8   C12   aromatic  1.415  0.020  1.415
 BX3  C9   H9    single    0.930  0.020  1.080
 BX3  C10  C11   aromatic  1.367  0.020  1.367
 BX3  C10  H10   single    0.930  0.020  1.080
 BX3  C11  C13   aromatic  1.417  0.020  1.417
 BX3  C11  H11   single    0.930  0.020  1.080
 BX3  C12  C13   aromatic  1.372  0.020  1.372
 BX3  C12  H12   single    0.930  0.020  1.080
 BX3  C13  C14   single    1.503  0.020  1.503
 BX3  C14  C15   single    1.536  0.020  1.536
 BX3  C14  H141  single    0.970  0.020  1.090
 BX3  C14  H142  single    0.970  0.020  1.090
 BX3  C15  C16   single    1.507  0.020  1.507
 BX3  C15  C22   single    1.553  0.020  1.553
 BX3  C15  H15   single    0.970  0.020  1.090
 BX3  C16  C17   aromatic  1.392  0.020  1.392
 BX3  C16  C21   aromatic  1.396  0.020  1.396
 BX3  C17  C18   aromatic  1.390  0.020  1.390
 BX3  C17  H17   single    0.930  0.020  1.080
 BX3  C18  C19   aromatic  1.388  0.020  1.388
 BX3  C18  H18   single    0.930  0.020  1.080
 BX3  C19  C20   aromatic  1.392  0.020  1.392
 BX3  C19  O25   single    1.364  0.020  1.364
 BX3  C20  C21   aromatic  1.386  0.020  1.386
 BX3  C20  H20   single    0.930  0.020  1.080
 BX3  C21  H21   single    0.930  0.020  1.080
 BX3  C22  O23   deloc     1.246  0.020  1.246
 BX3  C22  O24   deloc     1.244  0.020  1.244
 BX3  O25  C26   single    1.427  0.020  1.427
 BX3  C26  C27   single    1.519  0.020  1.519
 BX3  C26  C30   single    1.515  0.020  1.515
 BX3  C26  H26   single    0.970  0.020  1.090
 BX3  C27  C34   single    1.524  0.020  1.524
 BX3  C27  H271  single    0.970  0.020  1.090
 BX3  C27  H272  single    0.970  0.020  1.090
 BX3  N28  C29   single    1.455  0.020  1.455
 BX3  N28  C31   single    1.374  0.020  1.374
 BX3  N28  C34   single    1.452  0.020  1.452
 BX3  C29  C30   single    1.522  0.020  1.522
 BX3  C29  H291  single    0.970  0.020  1.090
 BX3  C29  H292  single    0.970  0.020  1.090
 BX3  C30  H301  single    0.970  0.020  1.090
 BX3  C30  H302  single    0.970  0.020  1.090
 BX3  C31  N32   double    1.281  0.020  1.281
 BX3  C31  C33   single    1.506  0.020  1.506
 BX3  N32  HN3   single    0.890  0.020  1.040
 BX3  C33  H331  single    0.970  0.020  1.090
 BX3  C33  H332  single    0.970  0.020  1.090
 BX3  C33  H333  single    0.970  0.020  1.090
 BX3  C34  H341  single    0.970  0.020  1.090
 BX3  C34  H342  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
 BX3  HN1   N1   C2    111.12  3.000
 BX3  C4    C2   N3    115.06  3.000
 BX3  C4    C2   N1    118.83  3.000
 BX3  N3    C2   N1    126.05  3.000
 BX3  HN32  N3   HN31  113.49  3.000
 BX3  HN32  N3   C2    118.31  3.000
 BX3  HN31  N3   C2    117.34  3.000
 BX3  C9    C4   C5    119.27  3.000
 BX3  C9    C4   C2    119.47  3.000
 BX3  C5    C4   C2    121.26  3.000
 BX3  H5    C5   C6    119.22  3.000
 BX3  H5    C5   C4    120.13  3.000
 BX3  C6    C5   C4    120.63  3.000
 BX3  H6    C6   C7    119.07  3.000
 BX3  H6    C6   C5    120.04  3.000
 BX3  C7    C6   C5    120.89  3.000
 BX3  C10   C7   C8    118.63  3.000
 BX3  C10   C7   C6    122.54  3.000
 BX3  C8    C7   C6    118.83  3.000
 BX3  C12   C8   C9    121.82  3.000
 BX3  C12   C8   C7    119.12  3.000
 BX3  C9    C8   C7    119.06  3.000
 BX3  H9    C9   C8    119.16  3.000
 BX3  H9    C9   C4    119.53  3.000
 BX3  C8    C9   C4    121.31  3.000
 BX3  H10   C10  C11   120.16  3.000
 BX3  H10   C10  C7    119.13  3.000
 BX3  C11   C10  C7    120.71  3.000
 BX3  H11   C11  C13   118.87  3.000
 BX3  H11   C11  C10   119.79  3.000
 BX3  C13   C11  C10   121.34  3.000
 BX3  H12   C12  C13   119.85  3.000
 BX3  H12   C12  C8    118.49  3.000
 BX3  C13   C12  C8    121.66  3.000
 BX3  C14   C13  C12   120.91  3.000
 BX3  C14   C13  C11   120.54  3.000
 BX3  C12   C13  C11   118.53  3.000
 BX3  H142  C14  H141  106.77  3.000
 BX3  H142  C14  C15   108.86  3.000
 BX3  H141  C14  C15   109.97  3.000
 BX3  H142  C14  C13   109.12  3.000
 BX3  H141  C14  C13   109.59  3.000
 BX3  C15   C14  C13   112.36  3.000
 BX3  H15   C15  C22   108.39  3.000
 BX3  H15   C15  C16   107.87  3.000
 BX3  C22   C15  C16   108.69  3.000
 BX3  H15   C15  C14   107.80  3.000
 BX3  C22   C15  C14   111.71  3.000
 BX3  C16   C15  C14   112.23  3.000
 BX3  C21   C16  C17   117.59  3.000
 BX3  C21   C16  C15   122.00  3.000
 BX3  C17   C16  C15   120.36  3.000
 BX3  H17   C17  C18   118.88  3.000
 BX3  H17   C17  C16   119.45  3.000
 BX3  C18   C17  C16   121.67  3.000
 BX3  H18   C18  C19   119.90  3.000
 BX3  H18   C18  C17   120.22  3.000
 BX3  C19   C18  C17   119.88  3.000
 BX3  O25   C19  C20   120.82  3.000
 BX3  O25   C19  C18   119.84  3.000
 BX3  C20   C19  C18   119.31  3.000
 BX3  H20   C20  C21   119.69  3.000
 BX3  H20   C20  C19   120.08  3.000
 BX3  C21   C20  C19   120.21  3.000
 BX3  H21   C21  C20   118.53  3.000
 BX3  H21   C21  C16   120.12  3.000
 BX3  C20   C21  C16   121.34  3.000
 BX3  O24   C22  O23   126.98  3.000
 BX3  O24   C22  C15   116.93  3.000
 BX3  O23   C22  C15   116.08  3.000
 BX3  C26   O25  C19   116.47  3.000
 BX3  H26   C26  C30   108.70  3.000
 BX3  H26   C26  C27   109.11  3.000
 BX3  C30   C26  C27   109.64  3.000
 BX3  H26   C26  O25   109.56  3.000
 BX3  C30   C26  O25   108.61  3.000
 BX3  C27   C26  O25   111.18  3.000
 BX3  H272  C27  H271  107.51  3.000
 BX3  H272  C27  C34   108.58  3.000
 BX3  H271  C27  C34   109.46  3.000
 BX3  H272  C27  C26   110.97  3.000
 BX3  H271  C27  C26   109.21  3.000
 BX3  C34   C27  C26   111.03  3.000
 BX3  C34   N28  C31   120.97  3.000
 BX3  C34   N28  C29   113.11  3.000
 BX3  C31   N28  C29   121.80  3.000
 BX3  H292  C29  H291  106.63  3.000
 BX3  H292  C29  C30   109.38  3.000
 BX3  H291  C29  C30   108.78  3.000
 BX3  H292  C29  N28   109.81  3.000
 BX3  H291  C29  N28   110.48  3.000
 BX3  C30   C29  N28   111.62  3.000
 BX3  H302  C30  H301  107.74  3.000
 BX3  H302  C30  C29   108.85  3.000
 BX3  H301  C30  C29   109.58  3.000
 BX3  H302  C30  C26   110.57  3.000
 BX3  H301  C30  C26   109.91  3.000
 BX3  C29   C30  C26   110.14  3.000
 BX3  C33   C31  N32   116.56  3.000
 BX3  C33   C31  N28   116.72  3.000
 BX3  N32   C31  N28   126.70  3.000
 BX3  HN3   N32  C31   113.18  3.000
 BX3  H333  C33  H332  107.48  3.000
 BX3  H333  C33  H331  108.53  3.000
 BX3  H332  C33  H331  108.01  3.000
 BX3  H333  C33  C31   112.36  3.000
 BX3  H332  C33  C31   111.80  3.000
 BX3  H331  C33  C31   108.53  3.000
 BX3  H342  C34  H341  106.89  3.000
 BX3  H342  C34  N28   110.34  3.000
 BX3  H341  C34  N28   110.30  3.000
 BX3  H342  C34  C27   107.79  3.000
 BX3  H341  C34  C27   110.01  3.000
 BX3  N28   C34  C27   111.38  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
 BX3  CONST_01  C7    C6   C5   C4     0.00   0.0  0
 BX3  CONST_02  C7    C8   C9   C4     0.00   0.0  0
 BX3  CONST_03  C12   C8   C9   C4   180.00   0.0  0
 BX3  CONST_04  C8    C9   C4   C5     0.00   0.0  0
 BX3  CONST_05  C8    C7   C6   C5     0.00   0.0  0
 BX3  CONST_06  C10   C7   C6   C5   180.00   0.0  0
 BX3  CONST_07  C9    C4   C5   C6     0.00   0.0  0
 BX3  CONST_08  C9    C8   C7   C6     0.00   0.0  0
 BX3  CONST_09  C12   C8   C7   C6   180.00   0.0  0
 BX3  CONST_10  C11   C10  C7   C6   180.00   0.0  0
 BX3  CONST_11  C13   C12  C8   C7     0.00   0.0  0
 BX3  CONST_12  C13   C11  C10  C7     0.00   0.0  0
 BX3  CONST_13  C11   C10  C7   C8     0.00   0.0  0
 BX3  CONST_14  C11   C13  C12  C8     0.00   0.0  0
 BX3  CONST_15  C10   C7   C8   C9   180.00   0.0  0
 BX3  CONST_16  C13   C12  C8   C9   180.00   0.0  0
 BX3  CONST_17  C12   C8   C7   C10    0.00   0.0  0
 BX3  CONST_18  C12   C13  C11  C10    0.00   0.0  0
 BX3  CONST_19  C19   C18  C17  C16    0.00   0.0  0
 BX3  CONST_20  C19   C20  C21  C16    0.00   0.0  0
 BX3  CONST_21  C20   C21  C16  C17    0.00   0.0  0
 BX3  CONST_22  C20   C19  C18  C17    0.00   0.0  0
 BX3  CONST_23  C21   C16  C17  C18    0.00   0.0  0
 BX3  CONST_24  C21   C20  C19  C18    0.00   0.0  0
 BX3  CONST_25  C6    C5   C4   C2   180.00   0.0  0
 BX3  CONST_26  C8    C9   C4   C2   180.00   0.0  0
 BX3  CONST_27  C14   C13  C12  C8   180.00   0.0  0
 BX3  CONST_28  C14   C13  C11  C10  180.00   0.0  0
 BX3  CONST_29  C18   C17  C16  C15  180.00   0.0  0
 BX3  CONST_30  C20   C21  C16  C15  180.00   0.0  0
 BX3  CONST_31  O25   C19  C18  C17  180.00   0.0  0
 BX3  CONST_32  O25   C19  C20  C21  180.00   0.0  0
 BX3  CONST_33  H6    C6   C5   C4   180.00   0.0  0
 BX3  CONST_34  H9    C9   C4   C5   180.00   0.0  0
 BX3  CONST_35  H10   C10  C7   C6     0.00   0.0  0
 BX3  CONST_36  H5    C5   C6   C7   180.00   0.0  0
 BX3  CONST_37  H12   C12  C8   C7   180.00   0.0  0
 BX3  CONST_38  H11   C11  C10  C7   180.00   0.0  0
 BX3  CONST_39  H18   C18  C17  C16  180.00   0.0  0
 BX3  CONST_40  H20   C20  C21  C16  180.00   0.0  0
 BX3  CONST_41  H21   C21  C16  C17  180.00   0.0  0
 BX3  CONST_42  H17   C17  C18  C19  180.00   0.0  0
 BX3  CONST_45  C34   N28  C31  N32    0.00   0.0  0
 BX3  CONST_46  C34   N28  C31  C33  180.00   0.0  0
 BX3  CONST_47  HN1   N1   C2   C4   180.00   0.0  0
 BX3  CONST_48  HN31  N3   C2   C4   180.00   0.0  0
 BX3  CONST_50  HN3   N32  C31  N28    0.00   0.0  0
 BX3  Var_01    N28   C34  C27  C26   54.66  30.0  1
 BX3  Var_02    N28   C29  C30  C26  -56.33  30.0  1
 BX3  Var_03    C29   N28  C34  C27  -55.22  30.0  1
 BX3  Var_04    C34   N28  C29  C30   56.37  30.0  1
 BX3  Var_05    C5    C4   C2   N1   152.13  30.0  2
 BX3  Var_06    C15   C14  C13  C11   89.29  30.0  2
 BX3  Var_07    H331  C33  C31  N28  172.40  30.0  3

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
 BX3  chir_01  C15  C14  C16  C22  negativ
 BX3  chir_02  C26  O25  C27  C30  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
 BX3  plan-1  C15   0.020
 BX3  plan-1  C16   0.020
 BX3  plan-1  C17   0.020
 BX3  plan-1  C18   0.020
 BX3  plan-1  C19   0.020
 BX3  plan-1  C20   0.020
 BX3  plan-1  C21   0.020
 BX3  plan-1  O25   0.020
 BX3  plan-1  H17   0.020
 BX3  plan-1  H18   0.020
 BX3  plan-1  H20   0.020
 BX3  plan-1  H21   0.020
 BX3  plan-2  C2    0.020
 BX3  plan-2  C4    0.020
 BX3  plan-2  C5    0.020
 BX3  plan-2  C6    0.020
 BX3  plan-2  C7    0.020
 BX3  plan-2  C8    0.020
 BX3  plan-2  C9    0.020
 BX3  plan-2  C10   0.020
 BX3  plan-2  C11   0.020
 BX3  plan-2  C12   0.020
 BX3  plan-2  C13   0.020
 BX3  plan-2  C14   0.020
 BX3  plan-2  H5    0.020
 BX3  plan-2  H6    0.020
 BX3  plan-2  H9    0.020
 BX3  plan-2  H10   0.020
 BX3  plan-2  H11   0.020
 BX3  plan-2  H12   0.020
 BX3  plan-3  N28   0.020
 BX3  plan-3  C29   0.020
 BX3  plan-3  C31   0.020
 BX3  plan-3  N32   0.020
 BX3  plan-3  C33   0.020
 BX3  plan-3  C34   0.020
 BX3  plan-3  HN3   0.020
 BX3  plan-4  C15   0.020
 BX3  plan-4  C22   0.020
 BX3  plan-4  O23   0.020
 BX3  plan-4  O24   0.020
 BX3  plan-5  N1    0.020
 BX3  plan-5  C2    0.020
 BX3  plan-5  N3    0.020
 BX3  plan-5  C4    0.020
 BX3  plan-5  HN1   0.020
 BX3  plan-5  HN31  0.020
 BX3  plan-5  HN32  0.020

