# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Tue Jun 23 08:43:47 2020
#   Inital geometry file: a 186 line input string
#   Ligand name: (1S,5R)-1,5-anhydro-5-[(1R,2E,4E,7R,8Z,10E,12R)-15-carboxy-1,12-dihydroxy-5,7,9-trimethylpentadeca-2,4,8,10-tetraen-1-yl]-2,4-dideoxy-2-methyl-1-[(1E)-prop-1-en-1-yl]-D-threo-pentitol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C\C=C\[C@@H]1O[C@H](C[C@@H](O)[C@@H]1C)[C@H](O)/C=C/C=C(C)/C[C@@H](C)/C=C(C)\C=C\[C@H](O)CCCC(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
 RJA  RJA  (1S,5R)-1,5-anhydro-5-[(1R,2E,4E,7R,8Z,10E,12R)-15-carboxy-1,12-dihydroxy-5,7,9-trimethylpentadeca-2,4,8,10-tetraen-1-yl]-2,4-dideoxy-2-methyl-1-[(1E)-prop-1-en-1-yl]-D-threo-pentitol  ligand  77  34  .  2021-08-23  2021-08-23  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_RJA
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
 RJA  C1    C  C      0   0.409   3.8108  -5.1175  -0.3862
 RJA  O1    O  OC    -1  -0.635   4.5744  -6.0095  -0.8151
 RJA  C2    C  CH2    0  -0.579   4.4232  -3.7098  -0.2703
 RJA  O2    O  OH1    0  -0.666   3.1912  -0.5851   2.5971
 RJA  C3    C  CH2    0  -0.402   3.5909  -2.6862   0.4815
 RJA  O3    O  OH1    0  -0.659  -5.0737   1.7924  -0.5410
 RJA  C4    C  CH2    0  -0.450   4.2330  -1.3044   0.5047
 RJA  O4    O  OH1    0  -0.672  -6.3634  -3.1989  -0.1562
 RJA  C5    C  CH1    0  -0.019   3.3891  -0.2593   1.2309
 RJA  O5    O  O2     0  -0.493  -3.2660  -0.4885  -0.5202
 RJA  C6    C  C1     0  -0.216   3.9667   1.1177   1.0787
 RJA  C7    C  C1     0  -0.308   3.3209   2.1041   0.4509
 RJA  C8    C  C      0   0.103   3.8133   3.4637   0.2377
 RJA  C9    C  C1     0  -0.233   3.0728   4.3996  -0.3796
 RJA  O1'   O  O      0  -0.596   2.6141  -5.2669  -0.0680
 RJA  C10   C  CH1    0  -0.305   1.6822   4.2574  -0.9220
 RJA  C11   C  CH2    0  -0.486   0.6937   5.0292  -0.0174
 RJA  C12   C  C      0   0.091  -0.7520   4.6944  -0.2923
 RJA  C13   C  C1     0  -0.281  -1.2730   3.5953   0.2774
 RJA  C14   C  C1     0  -0.258  -2.6030   3.0433   0.0931
 RJA  C15   C  C1     0  -0.255  -3.0343   1.9684   0.7598
 RJA  C16   C  CH1    0  -0.015  -4.3655   1.2999   0.5690
 RJA  C17   C  CH1    0   0.010  -4.1727  -0.2194   0.5264
 RJA  C18   C  CH2    0  -0.480  -5.4696  -0.9900   0.3278
 RJA  C19   C  CH1    0   0.076  -5.1925  -2.4821   0.1728
 RJA  C20   C  CH1    0  -0.283  -4.1640  -2.7115  -0.9288
 RJA  C21   C  CH1    0  -0.028  -2.9149  -1.8570  -0.6666
 RJA  C22   C  C1     0  -0.227  -2.0853  -2.3553   0.4869
 RJA  C23   C  C1     0  -0.224  -0.7600  -2.4548   0.4418
 RJA  C24   C  CH3    0  -0.731   0.1018  -2.9537   1.5533
 RJA  C25   C  CH3    0  -0.743   5.1901   3.7921   0.7416
 RJA  C26   C  CH3    0  -0.655   1.6324   4.7179  -2.3779
 RJA  C27   C  CH3    0  -0.737  -1.5133   5.6297  -1.1804
 RJA  C28   C  CH3    0  -0.659  -3.8003  -4.1797  -1.1077
 RJA  H2    H  HCH2   0   0.211   5.4126  -3.8001   0.1912
 RJA  H2A   H  HCH2   0   0.218   4.6196  -3.3456  -1.2870
 RJA  H3    H  HCH2   0   0.212   2.6020  -2.6095   0.0223
 RJA  H3A   H  HCH2   0   0.206   3.4157  -3.0293   1.5040
 RJA  H4    H  HCH2   0   0.212   5.2287  -1.3523   0.9644
 RJA  H4A   H  HCH2   0   0.223   4.3951  -0.9587  -0.5215
 RJA  HO4   H  HOH1   0   0.447  -6.9920  -3.0902   0.5642
 RJA  H5    H  HCH1   0   0.223   2.3874  -0.2646   0.7872
 RJA  H6    H  H      0   0.247   4.9580   1.2781   1.4972
 RJA  H7    H  H      0   0.233   2.3363   1.8727   0.0584
 RJA  H9    H  H      0   0.230   3.5060   5.3919  -0.4926
 RJA  H10   H  HCH1   0   0.246   1.3786   3.2094  -0.8980
 RJA  H11   H  HCH2   0   0.248   0.9239   4.7780   1.0208
 RJA  H11A  H  HCH2   0   0.234   0.8699   6.1042  -0.1259
 RJA  H13   H  H      0   0.225  -0.6264   3.0276   0.9439
 RJA  H14   H  H      0   0.239  -3.2582   3.5131  -0.6327
 RJA  H15   H  H      0   0.241  -2.3822   1.5088   1.4991
 RJA  H16   H  HCH1   0   0.253  -4.9965   1.5053   1.4427
 RJA  H17   H  HCH1   0   0.215  -3.7366  -0.5032   1.4968
 RJA  H18   H  HCH2   0   0.237  -6.1310  -0.8180   1.1833
 RJA  H18A  H  HCH2   0   0.227  -5.9850  -0.6274  -0.5657
 RJA  H19   H  HCH1   0   0.193  -4.7799  -2.8601   1.1216
 RJA  H20   H  HCH1   0   0.235  -4.6003  -2.3470  -1.8679
 RJA  H21   H  HCH1   0   0.245  -2.2909  -1.8893  -1.5653
 RJA  H22   H  H      0   0.242  -2.5945  -2.6574   1.3995
 RJA  H23   H  H      0   0.233  -0.2438  -2.1605  -0.4702
 RJA  H24   H  HCH3   0   0.252   0.7568  -3.7554   1.2055
 RJA  H24A  H  HCH3   0   0.238   0.7620  -2.1664   1.9262
 RJA  H24B  H  HCH3   0   0.234  -0.4930  -3.3208   2.3900
 RJA  H25   H  HCH3   0   0.236   5.9479   3.1571   0.2770
 RJA  H25A  H  HCH3   0   0.245   5.4494   4.8299   0.5370
 RJA  H25B  H  HCH3   0   0.236   5.2689   3.6355   1.8199
 RJA  H26   H  HCH3   0   0.235   2.3694   4.1829  -2.9782
 RJA  H26A  H  HCH3   0   0.232   0.6547   4.5325  -2.8230
 RJA  H26B  H  HCH3   0   0.219   1.8436   5.7862  -2.4630
 RJA  H27   H  HCH3   0   0.243  -0.9708   5.8380  -2.1038
 RJA  H27A  H  HCH3   0   0.243  -2.5010   5.2629  -1.4513
 RJA  H27B  H  HCH3   0   0.245  -1.6454   6.5936  -0.6812
 RJA  H28   H  HCH3   0   0.237  -4.6549  -4.7563  -1.4586
 RJA  H28A  H  HCH3   0   0.228  -3.0005  -4.2954  -1.8418
 RJA  H28B  H  HCH3   0   0.220  -3.4563  -4.6282  -0.1741
 RJA  HO2   H  HOH1   0   0.440   4.0530  -0.7453   2.9969
 RJA  HO3   H  HOH1   0   0.443  -4.5600   1.5953  -1.3329

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
 RJA  O1'  C1    deloc   1.247  0.020  1.247
 RJA  C1   O1    deloc   1.250  0.020  1.250
 RJA  C1   C2    single  1.539  0.020  1.539
 RJA  C3   C2    single  1.518  0.020  1.518
 RJA  C2   H2    single  0.970  0.020  1.090
 RJA  C2   H2A   single  0.970  0.020  1.090
 RJA  C5   O2    single  1.418  0.020  1.418
 RJA  O2   HO2   single  0.850  0.020  0.980
 RJA  C4   C3    single  1.524  0.020  1.524
 RJA  C3   H3    single  0.970  0.020  1.090
 RJA  C3   H3A   single  0.970  0.020  1.090
 RJA  O3   C16   single  1.406  0.020  1.406
 RJA  O3   HO3   single  0.850  0.020  0.980
 RJA  C5   C4    single  1.527  0.020  1.527
 RJA  C4   H4    single  0.970  0.020  1.090
 RJA  C4   H4A   single  0.970  0.020  1.090
 RJA  C19  O4    single  1.412  0.020  1.412
 RJA  O4   HO4   single  0.850  0.020  0.980
 RJA  C6   C5    single  1.501  0.020  1.501
 RJA  C5   H5    single  0.970  0.020  1.090
 RJA  O5   C17   single  1.411  0.020  1.411
 RJA  O5   C21   single  1.420  0.020  1.420
 RJA  C7   C6    double  1.336  0.020  1.336
 RJA  C6   H6    single  0.930  0.020  1.080
 RJA  C8   C7    single  1.462  0.020  1.462
 RJA  C7   H7    single  0.930  0.020  1.080
 RJA  C25  C8    single  1.502  0.020  1.502
 RJA  C8   C9    double  1.344  0.020  1.344
 RJA  C9   C10   single  1.499  0.020  1.499
 RJA  C9   H9    single  0.930  0.020  1.080
 RJA  C11  C10   single  1.546  0.020  1.546
 RJA  C10  C26   single  1.528  0.020  1.528
 RJA  C10  H10   single  0.970  0.020  1.090
 RJA  C11  C12   single  1.509  0.020  1.509
 RJA  C11  H11   single  0.970  0.020  1.090
 RJA  C11  H11A  single  0.970  0.020  1.090
 RJA  C12  C27   single  1.498  0.020  1.498
 RJA  C12  C13   double  1.343  0.020  1.343
 RJA  C13  C14   single  1.452  0.020  1.452
 RJA  C13  H13   single  0.930  0.020  1.080
 RJA  C14  C15   double  1.336  0.020  1.336
 RJA  C14  H14   single  0.930  0.020  1.080
 RJA  C15  C16   single  1.502  0.020  1.502
 RJA  C15  H15   single  0.930  0.020  1.080
 RJA  C16  C17   single  1.532  0.020  1.532
 RJA  C16  H16   single  0.970  0.020  1.090
 RJA  C17  C18   single  1.522  0.020  1.522
 RJA  C17  H17   single  0.970  0.020  1.090
 RJA  C18  C19   single  1.526  0.020  1.526
 RJA  C18  H18   single  0.970  0.020  1.090
 RJA  C18  H18A  single  0.970  0.020  1.090
 RJA  C20  C19   single  1.525  0.020  1.525
 RJA  C19  H19   single  0.970  0.020  1.090
 RJA  C21  C20   single  1.536  0.020  1.536
 RJA  C28  C20   single  1.523  0.020  1.523
 RJA  C20  H20   single  0.970  0.020  1.090
 RJA  C22  C21   single  1.506  0.020  1.506
 RJA  C21  H21   single  0.970  0.020  1.090
 RJA  C23  C22   double  1.330  0.020  1.330
 RJA  C22  H22   single  0.930  0.020  1.080
 RJA  C24  C23   single  1.492  0.020  1.492
 RJA  C23  H23   single  0.930  0.020  1.080
 RJA  C24  H24   single  0.970  0.020  1.090
 RJA  C24  H24A  single  0.970  0.020  1.090
 RJA  C24  H24B  single  0.970  0.020  1.090
 RJA  C25  H25   single  0.970  0.020  1.090
 RJA  C25  H25A  single  0.970  0.020  1.090
 RJA  C25  H25B  single  0.970  0.020  1.090
 RJA  C26  H26   single  0.970  0.020  1.090
 RJA  C26  H26A  single  0.970  0.020  1.090
 RJA  C26  H26B  single  0.970  0.020  1.090
 RJA  C27  H27   single  0.970  0.020  1.090
 RJA  C27  H27A  single  0.970  0.020  1.090
 RJA  C27  H27B  single  0.970  0.020  1.090
 RJA  C28  H28   single  0.970  0.020  1.090
 RJA  C28  H28A  single  0.970  0.020  1.090
 RJA  C28  H28B  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
 RJA  O1'   C1   C2    118.16  3.000
 RJA  C2    C1   O1    115.81  3.000
 RJA  O1'   C1   O1    126.02  3.000
 RJA  H2A   C2   H2    104.83  3.000
 RJA  H2A   C2   C3    109.46  3.000
 RJA  H2    C2   C3    110.00  3.000
 RJA  H2A   C2   C1    107.75  3.000
 RJA  H2    C2   C1    108.40  3.000
 RJA  C3    C2   C1    115.82  3.000
 RJA  HO2   O2   C5    108.24  3.000
 RJA  H3A   C3   H3    105.67  3.000
 RJA  H3A   C3   C4    109.76  3.000
 RJA  H3    C3   C4    108.90  3.000
 RJA  H3A   C3   C2    109.85  3.000
 RJA  H3    C3   C2    109.58  3.000
 RJA  C4    C3   C2    112.82  3.000
 RJA  HO3   O3   C16   107.97  3.000
 RJA  H4A   C4   H4    105.78  3.000
 RJA  H4A   C4   C5    108.14  3.000
 RJA  H4    C4   C5    109.39  3.000
 RJA  H4A   C4   C3    109.54  3.000
 RJA  H4    C4   C3    110.42  3.000
 RJA  C5    C4   C3    113.27  3.000
 RJA  HO4   O4   C19   108.06  3.000
 RJA  H5    C5   C6    108.37  3.000
 RJA  H5    C5   C4    108.02  3.000
 RJA  C6    C5   C4    111.53  3.000
 RJA  H5    C5   O2    105.15  3.000
 RJA  C6    C5   O2    111.22  3.000
 RJA  C4    C5   O2    112.21  3.000
 RJA  C21   O5   C17   114.79  3.000
 RJA  H6    C6   C7    120.83  3.000
 RJA  H6    C6   C5    116.55  3.000
 RJA  C7    C6   C5    122.62  3.000
 RJA  H7    C7   C8    116.84  3.000
 RJA  H7    C7   C6    116.83  3.000
 RJA  C8    C7   C6    126.34  3.000
 RJA  C25   C8   C9    120.46  3.000
 RJA  C9    C8   C7    121.95  3.000
 RJA  C25   C8   C7    117.59  3.000
 RJA  H9    C9   C10   114.71  3.000
 RJA  H9    C9   C8    117.60  3.000
 RJA  C10   C9   C8    127.68  3.000
 RJA  H10   C10  C26   107.54  3.000
 RJA  H10   C10  C11   106.77  3.000
 RJA  C26   C10  C11   112.72  3.000
 RJA  H10   C10  C9    109.95  3.000
 RJA  C26   C10  C9    110.26  3.000
 RJA  C11   C10  C9    109.51  3.000
 RJA  H11A  C11  H11   106.62  3.000
 RJA  H11A  C11  C12   110.73  3.000
 RJA  H11   C11  C12   108.90  3.000
 RJA  H11A  C11  C10   109.22  3.000
 RJA  H11   C11  C10   107.84  3.000
 RJA  C12   C11  C10   113.27  3.000
 RJA  C27   C12  C13   124.43  3.000
 RJA  C13   C12  C11   118.41  3.000
 RJA  C27   C12  C11   117.15  3.000
 RJA  H13   C13  C14   115.06  3.000
 RJA  H13   C13  C12   117.14  3.000
 RJA  C14   C13  C12   127.79  3.000
 RJA  H14   C14  C15   119.16  3.000
 RJA  H14   C14  C13   118.27  3.000
 RJA  C15   C14  C13   122.56  3.000
 RJA  H15   C15  C16   115.45  3.000
 RJA  H15   C15  C14   119.05  3.000
 RJA  C16   C15  C14   125.50  3.000
 RJA  H16   C16  C17   106.27  3.000
 RJA  H16   C16  C15   108.99  3.000
 RJA  C17   C16  C15   109.48  3.000
 RJA  H16   C16  O3    105.87  3.000
 RJA  C17   C16  O3    112.88  3.000
 RJA  C15   C16  O3    113.01  3.000
 RJA  H17   C17  C18   108.79  3.000
 RJA  H17   C17  C16   106.32  3.000
 RJA  C18   C17  C16   113.49  3.000
 RJA  H17   C17  O5    110.49  3.000
 RJA  C18   C17  O5    110.76  3.000
 RJA  C16   C17  O5    106.90  3.000
 RJA  H18A  C18  H18   107.56  3.000
 RJA  H18A  C18  C19   109.08  3.000
 RJA  H18   C18  C19   110.04  3.000
 RJA  H18A  C18  C17   109.90  3.000
 RJA  H18   C18  C17   109.47  3.000
 RJA  C19   C18  C17   110.72  3.000
 RJA  H19   C19  C20   108.54  3.000
 RJA  H19   C19  C18   108.43  3.000
 RJA  C20   C19  C18   110.07  3.000
 RJA  H19   C19  O4    109.71  3.000
 RJA  C20   C19  O4    108.34  3.000
 RJA  C18   C19  O4    111.69  3.000
 RJA  H20   C20  C28   108.33  3.000
 RJA  H20   C20  C21   106.53  3.000
 RJA  C28   C20  C21   111.23  3.000
 RJA  H20   C20  C19   107.46  3.000
 RJA  C28   C20  C19   113.02  3.000
 RJA  C21   C20  C19   109.97  3.000
 RJA  H21   C21  C22   107.76  3.000
 RJA  H21   C21  C20   107.89  3.000
 RJA  C22   C21  C20   113.25  3.000
 RJA  H21   C21  O5    104.71  3.000
 RJA  C22   C21  O5    112.09  3.000
 RJA  C20   C21  O5    110.65  3.000
 RJA  H22   C22  C23   118.31  3.000
 RJA  H22   C22  C21   118.47  3.000
 RJA  C23   C22  C21   123.22  3.000
 RJA  H23   C23  C24   116.14  3.000
 RJA  H23   C23  C22   118.74  3.000
 RJA  C24   C23  C22   125.12  3.000
 RJA  H24B  C24  H24A  108.07  3.000
 RJA  H24B  C24  H24   108.93  3.000
 RJA  H24A  C24  H24   105.97  3.000
 RJA  H24B  C24  C23   111.66  3.000
 RJA  H24A  C24  C23   111.23  3.000
 RJA  H24   C24  C23   110.76  3.000
 RJA  H25B  C25  H25A  107.75  3.000
 RJA  H25B  C25  H25   106.64  3.000
 RJA  H25A  C25  H25   107.99  3.000
 RJA  H25B  C25  C8    111.46  3.000
 RJA  H25A  C25  C8    111.31  3.000
 RJA  H25   C25  C8    111.47  3.000
 RJA  H26B  C26  H26A  107.94  3.000
 RJA  H26B  C26  H26   107.83  3.000
 RJA  H26A  C26  H26   107.32  3.000
 RJA  H26B  C26  C10   111.27  3.000
 RJA  H26A  C26  C10   111.53  3.000
 RJA  H26   C26  C10   110.77  3.000
 RJA  H27B  C27  H27A  107.53  3.000
 RJA  H27B  C27  H27   106.15  3.000
 RJA  H27A  C27  H27   107.76  3.000
 RJA  H27B  C27  C12   109.95  3.000
 RJA  H27A  C27  C12   113.49  3.000
 RJA  H27   C27  C12   111.62  3.000
 RJA  H28B  C28  H28A  107.50  3.000
 RJA  H28B  C28  H28   107.78  3.000
 RJA  H28A  C28  H28   107.59  3.000
 RJA  H28B  C28  C20   111.77  3.000
 RJA  H28A  C28  C20   110.86  3.000
 RJA  H28   C28  C20   111.16  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
 RJA  Var_01  C24  C23  C22  C21  -179.42   0.0  2
 RJA  Var_02  C8   C7   C6   C5   -178.96   0.0  2
 RJA  Var_03  C10  C9   C8   C7      0.82   0.0  2
 RJA  Var_04  C14  C13  C12  C11  -176.11   0.0  2
 RJA  Var_05  C16  C15  C14  C13  -176.57   0.0  2
 RJA  Var_06  C4   C3   C2   C1   -177.59  30.0  1
 RJA  Var_07  C3   C2   C1   O1   -169.22  30.0  3
 RJA  Var_08  C5   C4   C3   C2    178.68  30.0  2
 RJA  Var_09  C15  C14  C13  C12  -177.08  30.0  2
 RJA  Var_10  H25  C25  C8   C7     59.83  30.0  3
 RJA  Var_11  H27  C27  C12  C11    49.92  30.0  3
 RJA  Var_12  H24  C24  C23  C22   126.93  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
 RJA  chir_01  C5   O2   C4   C6   positiv
 RJA  chir_02  C10  C9   C11  C26  negativ
 RJA  chir_03  C16  O3   C15  C17  positiv
 RJA  chir_04  C17  O5   C18  C16  positiv
 RJA  chir_05  C19  O4   C18  C20  positiv
 RJA  chir_06  C20  C19  C21  C28  negativ
 RJA  chir_07  C21  O5   C22  C20  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
 RJA  plan-1  C1   0.020
 RJA  plan-1  O1   0.020
 RJA  plan-1  C2   0.020
 RJA  plan-1  O1'  0.020
 RJA  plan-2  C5   0.020
 RJA  plan-2  C6   0.020
 RJA  plan-2  C7   0.020
 RJA  plan-2  C8   0.020
 RJA  plan-2  H6   0.020
 RJA  plan-2  H7   0.020
 RJA  plan-3  C7   0.020
 RJA  plan-3  C8   0.020
 RJA  plan-3  C9   0.020
 RJA  plan-3  C10  0.020
 RJA  plan-3  C25  0.020
 RJA  plan-3  H9   0.020
 RJA  plan-4  C11  0.020
 RJA  plan-4  C12  0.020
 RJA  plan-4  C13  0.020
 RJA  plan-4  C14  0.020
 RJA  plan-4  C27  0.020
 RJA  plan-4  H13  0.020
 RJA  plan-5  C13  0.020
 RJA  plan-5  C14  0.020
 RJA  plan-5  C15  0.020
 RJA  plan-5  C16  0.020
 RJA  plan-5  H14  0.020
 RJA  plan-5  H15  0.020
 RJA  plan-6  C21  0.020
 RJA  plan-6  C22  0.020
 RJA  plan-6  C23  0.020
 RJA  plan-6  C24  0.020
 RJA  plan-6  H22  0.020
 RJA  plan-6  H23  0.020

