# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Mar 22 22:20:29 2022
#   Inital geometry file: a 150 line input string
#   Ligand name: tert-butyl [2-({3-[(1S)-1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]phenyl}amino)-2-oxoethyl]carbamate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[C@@H](c1cccc(NC(=O)CNC(=O)OC(C)(C)C)c1)C2=C(O)c3ccccc3OC2=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
 U04  U04  'tert-butyl [2-({3-[(1S)-1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]phenyl}amino)-2-oxoethyl]carbamate'  ligand  61  33  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_U04
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
 U04  CA    C  CR6   0  -0.227   0.5152   0.6246    3.9455
 U04  CA2   C  CR6   0   0.533  -0.5353   1.5143    3.4990
 U04  CA3   C  CR66  0   0.356  -1.9346   0.7762    5.2788
 U04  CA4   C  CR16  0  -0.319  -3.1713   0.9055    5.8979
 U04  CA5   C  CR16  0  -0.255  -3.4513   0.1282    7.0043
 U04  CA6   C  CR16  0  -0.245  -2.5056  -0.7730    7.4914
 U04  CA7   C  CR16  0  -0.327  -1.2816  -0.8933    6.8675
 U04  CA8   C  CR66  0  -0.052  -0.9716  -0.1141    5.7458
 U04  CA9   C  CR6   0   0.438   0.2859  -0.1758    5.0244
 U04  CB    C  CH1   0  -0.374   1.7723   0.6436    3.0964
 U04  CB1   C  CR6   0   0.192   1.6320  -0.3323    1.9432
 U04  CB2   C  CR16  0  -0.325   1.7189  -1.7107    2.1353
 U04  CB3   C  CR16  0  -0.229   1.5751  -2.5665    1.0565
 U04  CB4   C  CR16  0  -0.330   1.3418  -2.0899   -0.2278
 U04  CB5   C  CR6   0   0.401   1.2511  -0.7147   -0.4277
 U04  CB6   C  CR16  0  -0.423   1.3979   0.1460    0.6629
 U04  CB7   C  CH2   0  -0.412   3.1086   0.4989    3.8381
 U04  CB8   C  CH3   0  -0.665   4.2800   0.8831    2.9434
 U04  CG1   C  C     0   0.514   0.6507  -0.6710   -2.8397
 U04  CG2   C  CH2   0  -0.372   0.5280   0.3392   -3.9686
 U04  CG3   C  C     0   0.769  -0.2803   0.3981   -6.2522
 U04  CG4   C  CT    0   0.189  -1.1246   0.0561   -8.5221
 U04  CG5   C  CH3   0  -0.659  -1.6435  -1.2072   -9.1983
 U04  CG6   C  CH3   0  -0.671  -2.2317   1.1019   -8.4669
 U04  CG7   C  CH3   0  -0.672   0.1068   0.5736   -9.2555
 U04  NB5   N  NH1   0  -0.747   1.0329  -0.1094   -1.6721
 U04  NG2   N  NH1   0  -0.671  -0.0454  -0.2919   -5.1199
 U04  OA2   O  OC    0  -0.437  -0.4777   2.2533    2.5439
 U04  OA3   O  O     0  -0.463  -1.7012   1.5445    4.1986
 U04  OA9   O  OH1   0  -0.590   1.2218  -1.0310    5.4126
 U04  OG1   O  O     0  -0.461   0.4333  -1.8568   -3.0056
 U04  OG3   O  O     0  -0.521  -0.0638   1.5884   -6.3704
 U04  OG4   O  O2    0  -0.504  -0.7771  -0.4071   -7.1898
 U04  HA4   H  HCR6  0   0.287  -3.8973   1.6064    5.5076
 U04  HA5   H  HCR6  0   0.277  -4.4126   0.2203    7.4913
 U04  HA6   H  HCR6  0   0.274  -2.7280  -1.3803    8.3575
 U04  HA7   H  HCR6  0   0.263  -0.5778  -1.6077    7.2768
 U04  HB    H  HCH1  0   0.267   1.8010   1.6424    2.6553
 U04  HB2   H  HCR6  0   0.251   1.9028  -2.1201    3.1195
 U04  HB3   H  HCR6  0   0.256   1.6475  -3.6358    1.2090
 U04  HB4   H  HCR6  0   0.276   1.2422  -2.7862   -1.0438
 U04  HB6   H  HCR6  0   0.262   1.3216   1.2161    0.5055
 U04  HB71  H  HCH2  0   0.232   3.2603  -0.5143    4.2073
 U04  HB72  H  HCH2  0   0.230   3.0915   1.1522    4.7145
 U04  HB81  H  HCH3  0   0.232   5.2195   0.8336    3.4948
 U04  HB82  H  HCH3  0   0.224   4.3669   0.2138    2.0866
 U04  HB83  H  HCH3  0   0.218   4.1755   1.8999    2.5597
 U04  HG21  H  HCH2  0   0.278  -0.0799   1.1846   -3.6335
 U04  HG22  H  HCH2  0   0.283   1.5278   0.7364   -4.1783
 U04  HG51  H  HCH3  0   0.231  -1.9337  -0.9863  -10.2251
 U04  HG52  H  HCH3  0   0.237  -0.8808  -1.9868   -9.2273
 U04  HG53  H  HCH3  0   0.237  -2.5199  -1.5996   -8.6802
 U04  HG61  H  HCH3  0   0.234  -3.0900   0.7341   -7.9018
 U04  HG62  H  HCH3  0   0.246  -1.8981   2.0374   -8.0246
 U04  HG63  H  HCH3  0   0.234  -2.5733   1.3164   -9.4802
 U04  HG71  H  HCH3  0   0.235   0.9090  -0.1661   -9.2456
 U04  HG72  H  HCH3  0   0.234  -0.1507   0.7659  -10.2976
 U04  HG73  H  HCH3  0   0.246   0.4813   1.5012   -8.8287
 U04  HN5   H  HNH1  0   0.422   1.1322   0.8955   -1.6749
 U04  HN2   H  HNH1  0   0.400  -0.2001  -1.2881   -5.0870
 U04  HO9   H  HOH1  0   0.494   0.9894  -1.5019    6.2201

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
 U04  CA   CA2   aromatic  1.447  0.020  1.447
 U04  CA   CA9   aromatic  1.363  0.020  1.363
 U04  CA   CB    single    1.517  0.020  1.517
 U04  CA2  OA2   double    1.209  0.020  1.209
 U04  CA2  OA3   aromatic  1.360  0.020  1.360
 U04  CA3  CA4   aromatic  1.389  0.020  1.389
 U04  CA3  CA8   aromatic  1.392  0.020  1.392
 U04  CA3  OA3   aromatic  1.346  0.020  1.346
 U04  CA4  CA5   aromatic  1.381  0.020  1.381
 U04  CA4  HA4   single    0.930  0.020  1.080
 U04  CA5  CA6   aromatic  1.394  0.020  1.394
 U04  CA5  HA5   single    0.930  0.020  1.080
 U04  CA6  CA7   aromatic  1.379  0.020  1.379
 U04  CA6  HA6   single    0.930  0.020  1.080
 U04  CA7  CA8   aromatic  1.401  0.020  1.401
 U04  CA7  HA7   single    0.930  0.020  1.080
 U04  CA8  CA9   aromatic  1.451  0.020  1.451
 U04  CA9  OA9   single    1.326  0.020  1.326
 U04  CB   CB1   single    1.517  0.020  1.517
 U04  CB   CB7   single    1.535  0.020  1.535
 U04  CB   HB    single    0.970  0.020  1.090
 U04  CB1  CB2   aromatic  1.395  0.020  1.395
 U04  CB1  CB6   aromatic  1.387  0.020  1.387
 U04  CB2  CB3   aromatic  1.385  0.020  1.385
 U04  CB2  HB2   single    0.930  0.020  1.080
 U04  CB3  CB4   aromatic  1.390  0.020  1.390
 U04  CB3  HB3   single    0.930  0.020  1.080
 U04  CB4  CB5   aromatic  1.393  0.020  1.393
 U04  CB4  HB4   single    0.930  0.020  1.080
 U04  CB5  CB6   aromatic  1.397  0.020  1.397
 U04  CB5  NB5   single    1.401  0.020  1.401
 U04  CB6  HB6   single    0.930  0.020  1.080
 U04  CB7  CB8   single    1.523  0.020  1.523
 U04  CB7  HB71  single    0.970  0.020  1.090
 U04  CB7  HB72  single    0.970  0.020  1.090
 U04  CB8  HB81  single    0.970  0.020  1.090
 U04  CB8  HB82  single    0.970  0.020  1.090
 U04  CB8  HB83  single    0.970  0.020  1.090
 U04  CG1  CG2   single    1.520  0.020  1.520
 U04  CG1  NB5   single    1.351  0.020  1.351
 U04  CG1  OG1   double    1.217  0.020  1.217
 U04  CG2  NG2   single    1.433  0.020  1.433
 U04  CG2  HG21  single    0.970  0.020  1.090
 U04  CG2  HG22  single    0.970  0.020  1.090
 U04  CG3  NG2   single    1.347  0.020  1.347
 U04  CG3  OG3   double    1.216  0.020  1.216
 U04  CG3  OG4   single    1.332  0.020  1.332
 U04  CG4  CG5   single    1.524  0.020  1.524
 U04  CG4  CG6   single    1.524  0.020  1.524
 U04  CG4  CG7   single    1.524  0.020  1.524
 U04  CG4  OG4   single    1.453  0.020  1.453
 U04  CG5  HG51  single    0.970  0.020  1.090
 U04  CG5  HG52  single    0.970  0.020  1.090
 U04  CG5  HG53  single    0.970  0.020  1.090
 U04  CG6  HG61  single    0.970  0.020  1.090
 U04  CG6  HG62  single    0.970  0.020  1.090
 U04  CG6  HG63  single    0.970  0.020  1.090
 U04  CG7  HG71  single    0.970  0.020  1.090
 U04  CG7  HG72  single    0.970  0.020  1.090
 U04  CG7  HG73  single    0.970  0.020  1.090
 U04  NB5  HN5   single    0.860  0.020  1.020
 U04  NG2  HN2   single    0.860  0.020  1.020
 U04  OA9  HO9   single    0.850  0.020  0.980

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
 U04  CB    CA   CA9   126.15  3.000
 U04  CB    CA   CA2   114.91  3.000
 U04  CA9   CA   CA2   118.89  3.000
 U04  OA3   CA2  OA2   115.70  3.000
 U04  OA3   CA2  CA    118.50  3.000
 U04  OA2   CA2  CA    125.79  3.000
 U04  OA3   CA3  CA8   120.95  3.000
 U04  OA3   CA3  CA4   117.32  3.000
 U04  CA8   CA3  CA4   121.73  3.000
 U04  HA4   CA4  CA5   121.17  3.000
 U04  HA4   CA4  CA3   119.80  3.000
 U04  CA5   CA4  CA3   119.03  3.000
 U04  HA5   CA5  CA6   120.04  3.000
 U04  HA5   CA5  CA4   119.54  3.000
 U04  CA6   CA5  CA4   120.42  3.000
 U04  HA6   CA6  CA7   119.74  3.000
 U04  HA6   CA6  CA5   120.24  3.000
 U04  CA7   CA6  CA5   120.03  3.000
 U04  HA7   CA7  CA8   121.72  3.000
 U04  HA7   CA7  CA6   117.60  3.000
 U04  CA8   CA7  CA6   120.68  3.000
 U04  CA9   CA8  CA7   124.50  3.000
 U04  CA9   CA8  CA3   117.38  3.000
 U04  CA7   CA8  CA3   118.12  3.000
 U04  OA9   CA9  CA8   119.58  3.000
 U04  OA9   CA9  CA    119.46  3.000
 U04  CA8   CA9  CA    120.96  3.000
 U04  HB    CB   CB7   104.97  3.000
 U04  HB    CB   CB1   106.47  3.000
 U04  CB7   CB   CB1   112.77  3.000
 U04  HB    CB   CA    105.03  3.000
 U04  CB7   CB   CA    116.72  3.000
 U04  CB1   CB   CA    109.92  3.000
 U04  CB6   CB1  CB2   118.60  3.000
 U04  CB6   CB1  CB    119.71  3.000
 U04  CB2   CB1  CB    121.69  3.000
 U04  HB2   CB2  CB3   119.52  3.000
 U04  HB2   CB2  CB1   120.67  3.000
 U04  CB3   CB2  CB1   119.81  3.000
 U04  HB3   CB3  CB4   118.70  3.000
 U04  HB3   CB3  CB2   119.59  3.000
 U04  CB4   CB3  CB2   121.71  3.000
 U04  HB4   CB4  CB5   121.57  3.000
 U04  HB4   CB4  CB3   119.60  3.000
 U04  CB5   CB4  CB3   118.83  3.000
 U04  NB5   CB5  CB6   116.33  3.000
 U04  NB5   CB5  CB4   124.36  3.000
 U04  CB6   CB5  CB4   119.31  3.000
 U04  HB6   CB6  CB5   119.17  3.000
 U04  HB6   CB6  CB1   119.09  3.000
 U04  CB5   CB6  CB1   121.74  3.000
 U04  HB72  CB7  HB71  106.65  3.000
 U04  HB72  CB7  CB8   109.40  3.000
 U04  HB71  CB7  CB8   109.06  3.000
 U04  HB72  CB7  CB    108.50  3.000
 U04  HB71  CB7  CB    111.89  3.000
 U04  CB8   CB7  CB    111.21  3.000
 U04  HB83  CB8  HB82  107.64  3.000
 U04  HB83  CB8  HB81  107.61  3.000
 U04  HB82  CB8  HB81  107.50  3.000
 U04  HB83  CB8  CB7   111.57  3.000
 U04  HB82  CB8  CB7   111.59  3.000
 U04  HB81  CB8  CB7   110.74  3.000
 U04  OG1   CG1  NB5   125.00  3.000
 U04  OG1   CG1  CG2   122.14  3.000
 U04  NB5   CG1  CG2   112.86  3.000
 U04  HG22  CG2  HG21  106.59  3.000
 U04  HG22  CG2  NG2   111.77  3.000
 U04  HG21  CG2  NG2   111.36  3.000
 U04  HG22  CG2  CG1   108.02  3.000
 U04  HG21  CG2  CG1   109.33  3.000
 U04  NG2   CG2  CG1   109.66  3.000
 U04  OG4   CG3  OG3   126.15  3.000
 U04  OG4   CG3  NG2   110.31  3.000
 U04  OG3   CG3  NG2   123.54  3.000
 U04  OG4   CG4  CG7   110.88  3.000
 U04  OG4   CG4  CG6   111.06  3.000
 U04  CG7   CG4  CG6   111.81  3.000
 U04  OG4   CG4  CG5   102.95  3.000
 U04  CG7   CG4  CG5   110.07  3.000
 U04  CG6   CG4  CG5   109.73  3.000
 U04  HG53  CG5  HG52  108.49  3.000
 U04  HG53  CG5  HG51  107.85  3.000
 U04  HG52  CG5  HG51  107.82  3.000
 U04  HG53  CG5  CG4   111.16  3.000
 U04  HG52  CG5  CG4   111.47  3.000
 U04  HG51  CG5  CG4   109.92  3.000
 U04  HG63  CG6  HG62  107.75  3.000
 U04  HG63  CG6  HG61  107.52  3.000
 U04  HG62  CG6  HG61  108.70  3.000
 U04  HG63  CG6  CG4   109.20  3.000
 U04  HG62  CG6  CG4   112.48  3.000
 U04  HG61  CG6  CG4   111.02  3.000
 U04  HG73  CG7  HG72  107.81  3.000
 U04  HG73  CG7  HG71  108.75  3.000
 U04  HG72  CG7  HG71  107.56  3.000
 U04  HG73  CG7  CG4   112.27  3.000
 U04  HG72  CG7  CG4   109.20  3.000
 U04  HG71  CG7  CG4   111.07  3.000
 U04  HN5   NB5  CG1   116.05  3.000
 U04  HN5   NB5  CB5   114.66  3.000
 U04  CG1   NB5  CB5   129.21  3.000
 U04  HN2   NG2  CG3   120.45  3.000
 U04  HN2   NG2  CG2   118.05  3.000
 U04  CG3   NG2  CG2   121.32  3.000
 U04  CA3   OA3  CA2   123.29  3.000
 U04  HO9   OA9  CA9   112.98  3.000
 U04  CG4   OG4  CG3   122.82  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
 U04  CONST_01  CA3   OA3  CA2  CA      0.00   0.0  0
 U04  CONST_02  CA3   CA8  CA9  CA      0.00   0.0  0
 U04  CONST_03  CA7   CA8  CA9  CA    180.00   0.0  0
 U04  CONST_04  CA8   CA9  CA   CA2     0.00   0.0  0
 U04  CONST_05  CA4   CA3  OA3  CA2   180.00   0.0  0
 U04  CONST_06  CA8   CA3  OA3  CA2     0.00   0.0  0
 U04  CONST_07  CA6   CA5  CA4  CA3     0.00   0.0  0
 U04  CONST_08  CA6   CA7  CA8  CA3     0.00   0.0  0
 U04  CONST_09  CA7   CA8  CA3  CA4     0.00   0.0  0
 U04  CONST_10  CA9   CA8  CA3  CA4   180.00   0.0  0
 U04  CONST_11  CA7   CA6  CA5  CA4     0.00   0.0  0
 U04  CONST_12  CA8   CA3  CA4  CA5     0.00   0.0  0
 U04  CONST_13  OA3   CA3  CA4  CA5   180.00   0.0  0
 U04  CONST_14  CA8   CA7  CA6  CA5     0.00   0.0  0
 U04  CONST_15  CA9   CA8  CA7  CA6   180.00   0.0  0
 U04  CONST_16  OA3   CA3  CA8  CA7   180.00   0.0  0
 U04  CONST_17  OA3   CA2  CA   CA9     0.00   0.0  0
 U04  CONST_18  OA3   CA3  CA8  CA9     0.00   0.0  0
 U04  CONST_19  CB4   CB3  CB2  CB1     0.00   0.0  0
 U04  CONST_20  CB4   CB5  CB6  CB1     0.00   0.0  0
 U04  CONST_21  CB5   CB6  CB1  CB2     0.00   0.0  0
 U04  CONST_22  CB5   CB4  CB3  CB2     0.00   0.0  0
 U04  CONST_23  CB6   CB1  CB2  CB3     0.00   0.0  0
 U04  CONST_24  CB6   CB5  CB4  CB3     0.00   0.0  0
 U04  CONST_25  OA9   CA9  CA   CA2   180.00   0.0  0
 U04  CONST_26  OA9   CA9  CA8  CA3   180.00   0.0  0
 U04  CONST_27  OA2   CA2  OA3  CA3   180.00   0.0  0
 U04  CONST_28  OA9   CA9  CA8  CA7     0.00   0.0  0
 U04  CONST_29  CB    CA   CA9  CA8   180.00   0.0  0
 U04  CONST_30  OA2   CA2  CA   CA9   180.00   0.0  0
 U04  CONST_31  OA3   CA2  CA   CB    180.00   0.0  0
 U04  CONST_32  CB3   CB2  CB1  CB    180.00   0.0  0
 U04  CONST_33  CB5   CB6  CB1  CB    180.00   0.0  0
 U04  CONST_34  NB5   CB5  CB6  CB1   180.00   0.0  0
 U04  CONST_35  NB5   CB5  CB4  CB3   180.00   0.0  0
 U04  CONST_36  HA5   CA5  CA4  CA3   180.00   0.0  0
 U04  CONST_37  HA7   CA7  CA8  CA3   180.00   0.0  0
 U04  CONST_38  HA6   CA6  CA5  CA4   180.00   0.0  0
 U04  CONST_39  HA4   CA4  CA5  CA6   180.00   0.0  0
 U04  CONST_40  HB3   CB3  CB2  CB1   180.00   0.0  0
 U04  CONST_41  HB6   CB6  CB1  CB2   180.00   0.0  0
 U04  CONST_42  HB4   CB4  CB3  CB2   180.00   0.0  0
 U04  CONST_43  HB2   CB2  CB3  CB4   180.00   0.0  0
 U04  CONST_44  CG1   NB5  CB5  CB4     0.00   0.0  0
 U04  CONST_45  CG1   NB5  CB5  CB6   180.00   0.0  0
 U04  CONST_46  HN5   NB5  CB5  CB4   180.00   0.0  0
 U04  CONST_47  CG2   CG1  NB5  CB5   180.00   0.0  0
 U04  CONST_48  OG1   CG1  NB5  CB5     0.00   0.0  0
 U04  Var_01    CG3   NG2  CG2  CG1   178.88  30.0  3
 U04  Var_02    OG3   CG3  NG2  CG2    -2.05  30.0  2
 U04  Var_03    CG5   CG4  OG4  CG3  -179.70  30.0  2
 U04  Var_04    NG2   CG3  OG4  CG4  -179.76  30.0  2
 U04  Var_05    NG2   CG2  CG1  NB5  -172.48  30.0  3
 U04  Var_06    HB81  CB8  CB7  CB    176.69  30.0  3
 U04  Var_07    HG61  CG6  CG4  CG5    60.06  30.0  3
 U04  Var_08    HG71  CG7  CG4  CG5   -60.55  30.0  3
 U04  Var_09    HG51  CG5  CG4  CG6    62.15  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
 U04  chir_01  CB  CA  CB1  CB7  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
 U04  plan-1  CB   0.020
 U04  plan-1  CB1  0.020
 U04  plan-1  CB2  0.020
 U04  plan-1  CB3  0.020
 U04  plan-1  CB4  0.020
 U04  plan-1  CB5  0.020
 U04  plan-1  CB6  0.020
 U04  plan-1  NB5  0.020
 U04  plan-1  HB2  0.020
 U04  plan-1  HB3  0.020
 U04  plan-1  HB4  0.020
 U04  plan-1  HB6  0.020
 U04  plan-2  CA3  0.020
 U04  plan-2  CA4  0.020
 U04  plan-2  CA5  0.020
 U04  plan-2  CA6  0.020
 U04  plan-2  CA7  0.020
 U04  plan-2  CA8  0.020
 U04  plan-2  CA9  0.020
 U04  plan-2  OA3  0.020
 U04  plan-2  HA4  0.020
 U04  plan-2  HA5  0.020
 U04  plan-2  HA6  0.020
 U04  plan-2  HA7  0.020
 U04  plan-3  CB5  0.020
 U04  plan-3  CG1  0.020
 U04  plan-3  CG2  0.020
 U04  plan-3  NB5  0.020
 U04  plan-3  OG1  0.020
 U04  plan-3  HN5  0.020
 U04  plan-4  CA   0.020
 U04  plan-4  CA2  0.020
 U04  plan-4  OA2  0.020
 U04  plan-4  OA3  0.020
 U04  plan-5  CG3  0.020
 U04  plan-5  NG2  0.020
 U04  plan-5  OG3  0.020
 U04  plan-5  OG4  0.020

