# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu May  7 10:34:47 2020
#   Inital geometry file: a 152 line input string
#   Ligand name: (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1ccc2[C@@H](N(CCc2n1)C(C)=O)C(=O)Nc3ccc(OCc4ccccc4OC)cc3
#
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
 HOJ  HOJ  (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide  ligand  61  34  .  2021-08-11  2021-08-11  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_HOJ
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
 HOJ  N1   N  N     0  -0.487  -5.4161  -1.7154   0.4471
 HOJ  N3   N  NH1   0  -0.746  -1.4063   0.3228  -0.3440
 HOJ  C4   C  CR16  0  -0.294   6.4486  -1.8124   1.0037
 HOJ  C5   C  CR16  0  -0.290   0.9542   0.9985  -0.6086
 HOJ  C6   C  CR16  0  -0.324   0.3687  -1.0790   0.4320
 HOJ  C7   C  CR16  0  -0.381   8.7406  -0.4027   0.3269
 HOJ  C8   C  CR16  0  -0.373   2.3008   0.7041  -0.4215
 HOJ  C10  C  CR16  0  -0.390  -4.6010  -2.0627  -1.7716
 HOJ  C13  C  CR6   0   0.342  -0.0265   0.1129  -0.1791
 HOJ  C15  C  CR6   0   0.372   7.4878   0.1104   0.0106
 HOJ  C17  C  CR6   0   0.525  -5.2806  -2.4737  -0.6159
 HOJ  C20  C  CH2   0  -0.494  -5.0935   0.3361   1.6831
 HOJ  C21  C  CH2   0  -0.344  -4.1513   1.5267   1.7210
 HOJ  C22  C  CH1   0  -0.307  -3.5945   1.4038  -0.6321
 HOJ  C24  C  CH3   0  -0.436   8.4097   2.0689  -0.9729
 HOJ  C26  C  CH2   0  -0.185   4.9966   0.0097  -0.0122
 HOJ  C1   C  CR16  0  -0.270   7.7000  -2.3321   1.3222
 HOJ  C2   C  CR16  0  -0.252   8.8392  -1.6256   0.9819
 HOJ  C3   C  CR16  0  -0.152  -4.0550  -0.8036  -1.7638
 HOJ  C9   C  CR16  0  -0.339   1.7031  -1.3760   0.6142
 HOJ  C11  C  CR6   0  -0.050  -4.1785   0.0130  -0.6336
 HOJ  C12  C  CR6   0  -0.067   6.3235  -0.5963   0.3505
 HOJ  C14  C  CR6   0   0.396   2.6873  -0.4816   0.1923
 HOJ  C16  C  CR6   0   0.246  -4.8786  -0.4926   0.4515
 HOJ  C18  C  C     0   0.572  -2.0538   1.4882  -0.5308
 HOJ  C19  C  C     0   0.527  -4.6798   3.4412   0.2813
 HOJ  C23  C  CH3   0  -0.816  -4.6739   4.0400  -1.1045
 HOJ  C25  C  CH3   0  -0.419  -6.5022  -4.1400   0.5310
 HOJ  N2   N  NT    0  -0.442  -4.1588   2.1964   0.4325
 HOJ  O1   O  O     0  -0.460  -1.5169   2.5770  -0.6135
 HOJ  O2   O  O     0  -0.493  -5.1440   4.0546   1.2309
 HOJ  O4   O  O2    0  -0.482   3.9654  -0.8485   0.4181
 HOJ  O5   O  O2    0  -0.470  -5.8063  -3.6972  -0.6260
 HOJ  H1   H  HNH1  0   0.421  -1.9818  -0.4976  -0.2212
 HOJ  H2   H  HCR6  0   0.254   5.5629  -2.3707   1.2737
 HOJ  H3   H  HCR6  0   0.280   0.6946   1.9235  -1.0974
 HOJ  H4   H  HCR6  0   0.274  -0.3791  -1.7859   0.7720
 HOJ  H5   H  HCR6  0   0.280   9.6452   0.1325   0.0725
 HOJ  H6   H  HCR6  0   0.286   3.0295   1.4234  -0.7695
 HOJ  H7   H  HCR6  0   0.277  -4.5214  -2.7138  -2.6311
 HOJ  H8   H  HCH2  0   0.266  -4.9580  -0.2843   2.5707
 HOJ  H9   H  HCH2  0   0.269  -6.1312   0.6829   1.6981
 HOJ  H10  H  HCH2  0   0.282  -4.4356   2.2293   2.4976
 HOJ  H11  H  HCH2  0   0.256  -3.1332   1.1937   1.9444
 HOJ  H12  H  HCH1  0   0.328  -3.8333   1.8591  -1.5937
 HOJ  H13  H  HCH3  0   0.229   9.0763   1.5474  -1.6644
 HOJ  H14  H  HCH3  0   0.260   8.0227   2.9580  -1.4643
 HOJ  H15  H  HCH3  0   0.230   8.9819   2.3724  -0.0925
 HOJ  H16  H  HCH2  0   0.242   4.8936   0.9965   0.4566
 HOJ  H17  H  HCH2  0   0.243   4.9339   0.1652  -1.0970
 HOJ  H18  H  HCR6  0   0.251   7.7753  -3.2826   1.8335
 HOJ  H19  H  HCR6  0   0.258   9.8189  -2.0182   1.2210
 HOJ  H20  H  HCR6  0   0.278  -3.5289  -0.4422  -2.6399
 HOJ  H21  H  HCR6  0   0.270   1.9904  -2.3045   1.0909
 HOJ  H22  H  HCH3  0   0.270  -3.6632   4.1294  -1.5009
 HOJ  H23  H  HCH3  0   0.269  -5.2557   3.4425  -1.8082
 HOJ  H24  H  HCH3  0   0.273  -5.1152   5.0320  -1.0581
 HOJ  H25  H  HCH3  0   0.231  -5.8548  -4.1650   1.4082
 HOJ  H26  H  HCH3  0   0.231  -7.3651  -3.5108   0.7517
 HOJ  H27  H  HCH3  0   0.248  -6.8412  -5.1477   0.3055
 HOJ  O3   O  O2    0  -0.471   7.2881   1.2821  -0.6251

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
 HOJ  C23  C19  single    1.510  0.020  1.510
 HOJ  O2   C19  double    1.222  0.020  1.222
 HOJ  C19  N2   single    1.358  0.020  1.358
 HOJ  C21  N2   single    1.452  0.020  1.452
 HOJ  C21  C20  single    1.519  0.020  1.519
 HOJ  N2   C22  single    1.442  0.020  1.442
 HOJ  O1   C18  double    1.217  0.020  1.217
 HOJ  C20  C16  single    1.500  0.020  1.500
 HOJ  C22  C18  single    1.546  0.020  1.546
 HOJ  C22  C11  single    1.509  0.020  1.509
 HOJ  C18  N3   single    1.346  0.020  1.346
 HOJ  N3   C13  single    1.405  0.020  1.405
 HOJ  C16  C11  aromatic  1.387  0.020  1.387
 HOJ  C16  N1   aromatic  1.336  0.020  1.336
 HOJ  C6   C13  aromatic  1.397  0.020  1.397
 HOJ  C6   C9   aromatic  1.379  0.020  1.379
 HOJ  C11  C3   aromatic  1.400  0.020  1.400
 HOJ  C13  C5   aromatic  1.389  0.020  1.389
 HOJ  C24  O3   single    1.414  0.020  1.414
 HOJ  C9   C14  aromatic  1.395  0.020  1.395
 HOJ  N1   C17  aromatic  1.313  0.020  1.313
 HOJ  C3   C10  aromatic  1.372  0.020  1.372
 HOJ  O3   C15  single    1.348  0.020  1.348
 HOJ  C5   C8   aromatic  1.391  0.020  1.391
 HOJ  C14  C8   aromatic  1.390  0.020  1.390
 HOJ  C14  O4   single    1.349  0.020  1.349
 HOJ  C26  O4   single    1.409  0.020  1.409
 HOJ  C26  C12  single    1.503  0.020  1.503
 HOJ  C17  C10  aromatic  1.402  0.020  1.402
 HOJ  C17  O5   single    1.332  0.020  1.332
 HOJ  C15  C12  aromatic  1.404  0.020  1.404
 HOJ  C15  C7   aromatic  1.390  0.020  1.390
 HOJ  C12  C4   aromatic  1.386  0.020  1.386
 HOJ  C7   C2   aromatic  1.391  0.020  1.391
 HOJ  O5   C25  single    1.421  0.020  1.421
 HOJ  C4   C1   aromatic  1.392  0.020  1.392
 HOJ  C2   C1   aromatic  1.383  0.020  1.383
 HOJ  N3   H1   single    0.860  0.020  1.020
 HOJ  C4   H2   single    0.930  0.020  1.080
 HOJ  C5   H3   single    0.930  0.020  1.080
 HOJ  C6   H4   single    0.930  0.020  1.080
 HOJ  C7   H5   single    0.930  0.020  1.080
 HOJ  C8   H6   single    0.930  0.020  1.080
 HOJ  C10  H7   single    0.930  0.020  1.080
 HOJ  C20  H8   single    0.970  0.020  1.090
 HOJ  C20  H9   single    0.970  0.020  1.090
 HOJ  C21  H10  single    0.970  0.020  1.090
 HOJ  C21  H11  single    0.970  0.020  1.090
 HOJ  C22  H12  single    0.970  0.020  1.090
 HOJ  C24  H13  single    0.970  0.020  1.090
 HOJ  C24  H14  single    0.970  0.020  1.090
 HOJ  C24  H15  single    0.970  0.020  1.090
 HOJ  C26  H16  single    0.970  0.020  1.090
 HOJ  C26  H17  single    0.970  0.020  1.090
 HOJ  C1   H18  single    0.930  0.020  1.080
 HOJ  C2   H19  single    0.930  0.020  1.080
 HOJ  C3   H20  single    0.930  0.020  1.080
 HOJ  C9   H21  single    0.930  0.020  1.080
 HOJ  C23  H22  single    0.970  0.020  1.090
 HOJ  C23  H23  single    0.970  0.020  1.090
 HOJ  C23  H24  single    0.970  0.020  1.090
 HOJ  C25  H25  single    0.970  0.020  1.090
 HOJ  C25  H26  single    0.970  0.020  1.090
 HOJ  C25  H27  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
 HOJ  C16  N1   C17  119.34  3.000
 HOJ  H1   N3   C18  116.50  3.000
 HOJ  H1   N3   C13  115.09  3.000
 HOJ  C18  N3   C13  128.15  3.000
 HOJ  H2   C4   C12  119.79  3.000
 HOJ  H2   C4   C1   119.11  3.000
 HOJ  C12  C4   C1   121.10  3.000
 HOJ  H3   C5   C13  121.14  3.000
 HOJ  H3   C5   C8   118.41  3.000
 HOJ  C13  C5   C8   120.45  3.000
 HOJ  H4   C6   C9   119.06  3.000
 HOJ  H4   C6   C13  119.92  3.000
 HOJ  C9   C6   C13  121.02  3.000
 HOJ  H5   C7   C2   119.12  3.000
 HOJ  H5   C7   C15  121.17  3.000
 HOJ  C2   C7   C15  119.71  3.000
 HOJ  H6   C8   C14  121.47  3.000
 HOJ  H6   C8   C5   117.92  3.000
 HOJ  C14  C8   C5   120.61  3.000
 HOJ  H7   C10  C3   121.85  3.000
 HOJ  H7   C10  C17  120.95  3.000
 HOJ  C3   C10  C17  117.19  3.000
 HOJ  C6   C13  C5   118.66  3.000
 HOJ  C5   C13  N3   124.16  3.000
 HOJ  C6   C13  N3   117.17  3.000
 HOJ  O3   C15  C12  115.40  3.000
 HOJ  C12  C15  C7   120.43  3.000
 HOJ  O3   C15  C7   124.17  3.000
 HOJ  O5   C17  C10  117.02  3.000
 HOJ  O5   C17  N1   119.74  3.000
 HOJ  C10  C17  N1   123.24  3.000
 HOJ  H9   C20  H8   106.66  3.000
 HOJ  H9   C20  C16  108.80  3.000
 HOJ  H8   C20  C16  109.64  3.000
 HOJ  H9   C20  C21  109.85  3.000
 HOJ  H8   C20  C21  110.38  3.000
 HOJ  C16  C20  C21  111.39  3.000
 HOJ  H11  C21  H10  107.13  3.000
 HOJ  H11  C21  N2   109.05  3.000
 HOJ  H10  C21  N2   109.57  3.000
 HOJ  H11  C21  C20  110.10  3.000
 HOJ  H10  C21  C20  111.28  3.000
 HOJ  N2   C21  C20  109.65  3.000
 HOJ  H12  C22  N2   109.62  3.000
 HOJ  H12  C22  C18  104.67  3.000
 HOJ  N2   C22  C18  108.15  3.000
 HOJ  H12  C22  C11  107.42  3.000
 HOJ  C18  C22  C11  115.86  3.000
 HOJ  N2   C22  C11  110.84  3.000
 HOJ  H15  C24  H14  108.87  3.000
 HOJ  H15  C24  H13  108.84  3.000
 HOJ  H14  C24  H13  108.74  3.000
 HOJ  H15  C24  O3   111.82  3.000
 HOJ  H14  C24  O3   106.50  3.000
 HOJ  H13  C24  O3   111.97  3.000
 HOJ  H17  C26  H16  106.82  3.000
 HOJ  H17  C26  O4   110.27  3.000
 HOJ  H16  C26  O4   110.40  3.000
 HOJ  H17  C26  C12  110.24  3.000
 HOJ  H16  C26  C12  110.01  3.000
 HOJ  O4   C26  C12  109.08  3.000
 HOJ  H18  C1   C2   120.51  3.000
 HOJ  H18  C1   C4   119.92  3.000
 HOJ  C2   C1   C4   119.57  3.000
 HOJ  H19  C2   C1   120.40  3.000
 HOJ  H19  C2   C7   119.16  3.000
 HOJ  C1   C2   C7   120.44  3.000
 HOJ  H20  C3   C11  120.06  3.000
 HOJ  H20  C3   C10  119.63  3.000
 HOJ  C11  C3   C10  120.31  3.000
 HOJ  H21  C9   C14  119.72  3.000
 HOJ  H21  C9   C6   119.98  3.000
 HOJ  C14  C9   C6   120.30  3.000
 HOJ  C16  C11  C3   117.62  3.000
 HOJ  C3   C11  C22  120.29  3.000
 HOJ  C16  C11  C22  122.06  3.000
 HOJ  C26  C12  C15  118.08  3.000
 HOJ  C15  C12  C4   118.75  3.000
 HOJ  C26  C12  C4   123.16  3.000
 HOJ  O4   C14  C9   116.32  3.000
 HOJ  O4   C14  C8   124.72  3.000
 HOJ  C9   C14  C8   118.96  3.000
 HOJ  C11  C16  C20  120.89  3.000
 HOJ  C11  C16  N1   122.30  3.000
 HOJ  C20  C16  N1   116.80  3.000
 HOJ  O1   C18  C22  118.95  3.000
 HOJ  C22  C18  N3   116.17  3.000
 HOJ  O1   C18  N3   124.88  3.000
 HOJ  O2   C19  N2   121.29  3.000
 HOJ  N2   C19  C23  117.67  3.000
 HOJ  O2   C19  C23  121.04  3.000
 HOJ  H24  C23  H23  108.11  3.000
 HOJ  H24  C23  H22  108.50  3.000
 HOJ  H23  C23  H22  107.76  3.000
 HOJ  H24  C23  C19  108.74  3.000
 HOJ  H23  C23  C19  111.89  3.000
 HOJ  H22  C23  C19  111.73  3.000
 HOJ  H27  C25  H26  109.28  3.000
 HOJ  H27  C25  H25  109.32  3.000
 HOJ  H26  C25  H25  108.67  3.000
 HOJ  H27  C25  O5   105.83  3.000
 HOJ  H26  C25  O5   111.87  3.000
 HOJ  H25  C25  O5   111.80  3.000
 HOJ  C19  N2   C22  124.87  3.000
 HOJ  C22  N2   C21  113.55  3.000
 HOJ  C19  N2   C21  121.57  3.000
 HOJ  C14  O4   C26  118.47  3.000
 HOJ  C25  O5   C17  118.26  3.000
 HOJ  C24  O3   C15  118.84  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
 HOJ  CONST_01  C3   C11  C16  N1     0.00   0.0  0
 HOJ  CONST_02  C3   C10  C17  N1     0.00   0.0  0
 HOJ  CONST_03  C7   C15  C12  C4     0.00   0.0  0
 HOJ  CONST_04  C7   C2   C1   C4     0.00   0.0  0
 HOJ  CONST_05  C9   C6   C13  C5     0.00   0.0  0
 HOJ  CONST_06  C9   C14  C8   C5     0.00   0.0  0
 HOJ  CONST_07  C8   C5   C13  C6     0.00   0.0  0
 HOJ  CONST_08  C8   C14  C9   C6     0.00   0.0  0
 HOJ  CONST_09  C16  C11  C3   C10    0.00   0.0  0
 HOJ  CONST_10  C16  N1   C17  C10    0.00   0.0  0
 HOJ  CONST_11  C14  C9   C6   C13    0.00   0.0  0
 HOJ  CONST_12  C14  C8   C5   C13    0.00   0.0  0
 HOJ  CONST_13  C1   C4   C12  C15    0.00   0.0  0
 HOJ  CONST_14  C1   C2   C7   C15    0.00   0.0  0
 HOJ  CONST_15  C11  C16  N1   C17    0.00   0.0  0
 HOJ  CONST_16  C11  C3   C10  C17    0.00   0.0  0
 HOJ  CONST_17  C12  C15  C7   C2     0.00   0.0  0
 HOJ  CONST_18  C12  C4   C1   C2     0.00   0.0  0
 HOJ  CONST_19  C9   C6   C13  N3   180.00   0.0  0
 HOJ  CONST_20  C8   C5   C13  N3   180.00   0.0  0
 HOJ  CONST_21  O3   C15  C12  C4   180.00   0.0  0
 HOJ  CONST_22  O4   C14  C8   C5   180.00   0.0  0
 HOJ  CONST_23  O4   C14  C9   C6   180.00   0.0  0
 HOJ  CONST_24  C26  C12  C15  C7   180.00   0.0  0
 HOJ  CONST_25  C1   C4   C12  C26  180.00   0.0  0
 HOJ  CONST_26  O3   C15  C7   C2   180.00   0.0  0
 HOJ  CONST_27  O5   C17  C10  C3   180.00   0.0  0
 HOJ  CONST_28  O5   C17  N1   C16  180.00   0.0  0
 HOJ  CONST_29  H7   C10  C17  N1   180.00   0.0  0
 HOJ  CONST_30  H19  C2   C1   C4   180.00   0.0  0
 HOJ  CONST_31  H4   C6   C13  C5   180.00   0.0  0
 HOJ  CONST_32  H3   C5   C13  C6   180.00   0.0  0
 HOJ  CONST_33  H18  C1   C2   C7   180.00   0.0  0
 HOJ  CONST_34  H21  C9   C14  C8   180.00   0.0  0
 HOJ  CONST_35  H6   C8   C5   C13  180.00   0.0  0
 HOJ  CONST_36  H2   C4   C12  C15  180.00   0.0  0
 HOJ  CONST_37  H20  C3   C10  C17  180.00   0.0  0
 HOJ  CONST_38  H5   C7   C2   C1   180.00   0.0  0
 HOJ  CONST_39  C22  C18  N3   C13  180.00   0.0  0
 HOJ  CONST_40  C23  C19  N2   C21  180.00   0.0  0
 HOJ  CONST_41  O2   C19  N2   C21    0.00   0.0  0
 HOJ  CONST_42  C23  C19  N2   C22    0.00   0.0  0
 HOJ  CONST_43  O2   C19  N2   C22  180.00   0.0  0
 HOJ  CONST_47  O1   C18  N3   C13    0.00   0.0  0
 HOJ  Var_01    C21  C20  C16  N1   165.04  30.0  1
 HOJ  Var_02    C22  N2   C21  C20  -66.75  30.0  1
 HOJ  Var_03    N2   C21  C20  C16   47.21  30.0  1
 HOJ  Var_04    O4   C26  C12  C4     0.09  30.0  2
 HOJ  Var_05    C12  C15  O3   C24  178.51  30.0  2
 HOJ  Var_06    C9   C14  O4   C26  178.83  30.0  1
 HOJ  Var_07    H13  C24  O3   C15   61.54  30.0  3
 HOJ  Var_08    H25  C25  O5   C17  -61.10  30.0  3
 HOJ  Var_09    H22  C23  C19  N2   -59.94  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
 HOJ  chir_01  C22  N2  C18  C11  negativ

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
 HOJ  plan-1  N3   0.020
 HOJ  plan-1  C5   0.020
 HOJ  plan-1  C6   0.020
 HOJ  plan-1  C8   0.020
 HOJ  plan-1  C13  0.020
 HOJ  plan-1  C9   0.020
 HOJ  plan-1  C14  0.020
 HOJ  plan-1  O4   0.020
 HOJ  plan-1  H3   0.020
 HOJ  plan-1  H4   0.020
 HOJ  plan-1  H6   0.020
 HOJ  plan-1  H21  0.020
 HOJ  plan-2  C4   0.020
 HOJ  plan-2  C7   0.020
 HOJ  plan-2  C15  0.020
 HOJ  plan-2  C26  0.020
 HOJ  plan-2  C1   0.020
 HOJ  plan-2  C2   0.020
 HOJ  plan-2  C12  0.020
 HOJ  plan-2  H2   0.020
 HOJ  plan-2  H5   0.020
 HOJ  plan-2  H18  0.020
 HOJ  plan-2  H19  0.020
 HOJ  plan-2  O3   0.020
 HOJ  plan-3  N1   0.020
 HOJ  plan-3  C10  0.020
 HOJ  plan-3  C17  0.020
 HOJ  plan-3  C20  0.020
 HOJ  plan-3  C22  0.020
 HOJ  plan-3  C3   0.020
 HOJ  plan-3  C11  0.020
 HOJ  plan-3  C16  0.020
 HOJ  plan-3  O5   0.020
 HOJ  plan-3  H7   0.020
 HOJ  plan-3  H20  0.020
 HOJ  plan-4  N3   0.020
 HOJ  plan-4  C13  0.020
 HOJ  plan-4  C22  0.020
 HOJ  plan-4  C18  0.020
 HOJ  plan-4  O1   0.020
 HOJ  plan-4  H1   0.020
 HOJ  plan-5  C21  0.020
 HOJ  plan-5  C22  0.020
 HOJ  plan-5  C19  0.020
 HOJ  plan-5  C23  0.020
 HOJ  plan-5  N2   0.020
 HOJ  plan-5  O2   0.020

