# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr 22 14:23:49 2020
#   Inital geometry file: a 171 line input string
#   Ligand name: (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCC\C(=C/C=C\1C[C@@H](O)C[C@H](O)C\1=C)c2cccc(CCCCCC(C)(C)O)c2
#
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
 LX3  LX3  (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol  ligand  73  31  .  2022-07-25  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_LX3
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
 LX3  C4   C  CH3   0  -0.662  -6.3569  -3.6246  -1.5767
 LX3  C5   C  CH2   0  -0.421  -5.5368  -3.5514  -0.2962
 LX3  C6   C  CH2   0  -0.413  -4.2101  -2.8278  -0.4847
 LX3  C7   C  CH2   0  -0.560  -3.3904  -2.7636   0.8082
 LX3  C8   C  C     0   0.103  -2.0810  -2.0298   0.6601
 LX3  O9   O  OH1   0  -0.679   7.2669   1.5951  -1.9167
 LX3  C10  C  CT    0   0.203   7.1588   1.9699  -0.5478
 LX3  C11  C  CH3   0  -0.665   8.5390   2.3334   0.0012
 LX3  C12  C  CH3   0  -0.666   6.2558   3.1970  -0.5188
 LX3  C13  C  CH2   0  -0.433   6.5731   0.8192   0.2837
 LX3  C14  C  CH2   0  -0.417   5.2238   0.2833  -0.1778
 LX3  C15  C  CH2   0  -0.415   4.7319  -0.8654   0.6951
 LX3  C16  C  CH2   0  -0.410   3.3920  -1.4261   0.2383
 LX3  C18  C  CR6   0   0.165   1.5594  -3.0951   0.6756
 LX3  C19  C  CR16  0  -0.388   0.3874  -2.3786   0.8950
 LX3  C20  C  CR16  0  -0.340   1.4825  -4.3042  -0.0105
 LX3  C21  C  CR16  0  -0.219   0.2552  -4.7813  -0.4505
 LX3  C22  C  CR16  0  -0.343  -0.9039  -4.0567  -0.2223
 LX3  C23  C  CR6   0   0.122  -0.8566  -2.8262   0.4411
 LX3  C24  C  C1    0  -0.317  -2.0080  -0.6830   0.6832
 LX3  C25  C  C1    0  -0.293  -3.1234   0.2167   0.8741
 LX3  C26  C  C     0   0.106  -3.0579   1.5598   0.9199
 LX3  C27  C  C     0   0.066  -1.8157   2.3492   0.8309
 LX3  C28  C  C2    0  -0.584  -0.7674   2.1871   1.6360
 LX3  C29  C  CH1   0  -0.029  -1.8300   3.4132  -0.2434
 LX3  O30  O  OH1   0  -0.663  -1.8259   2.8125  -1.5248
 LX3  C31  C  CH2   0  -0.489  -3.0856   4.2680  -0.1399
 LX3  C32  C  CH1   0   0.071  -4.3533   3.4261  -0.1260
 LX3  O33  O  OH1   0  -0.673  -5.4477   4.3066   0.0159
 LX3  C34  C  CH2   0  -0.536  -4.2980   2.4048   1.0143
 LX3  H1   H  HCH3  0   0.217  -5.8183  -4.1593  -2.3611
 LX3  H2   H  HCH3  0   0.227  -7.3029  -4.1426  -1.4143
 LX3  H3   H  HCH3  0   0.217  -6.5876  -2.6278  -1.9569
 LX3  H4   H  HCH2  0   0.214  -6.1163  -3.0437   0.4810
 LX3  H5   H  HCH2  0   0.215  -5.3501  -4.5633   0.0765
 LX3  H6   H  HCH2  0   0.222  -3.6313  -3.3255  -1.2693
 LX3  H7   H  HCH2  0   0.223  -4.3960  -1.8115  -0.8459
 LX3  H8   H  HCH2  0   0.249  -3.9941  -2.2834   1.5825
 LX3  H9   H  HCH2  0   0.245  -3.2096  -3.7788   1.1697
 LX3  H10  H  HOH1  0   0.440   7.8279   0.8139  -1.9699
 LX3  H11  H  HCH3  0   0.225   9.2139   1.4750  -0.0372
 LX3  H12  H  HCH3  0   0.229   8.9868   3.1441  -0.5765
 LX3  H13  H  HCH3  0   0.222   8.4784   2.6566   1.0414
 LX3  H14  H  HCH3  0   0.223   6.0897   3.5238   0.5080
 LX3  H15  H  HCH3  0   0.230   6.7102   4.0275  -1.0622
 LX3  H16  H  HCH3  0   0.233   5.2816   2.9976  -0.9666
 LX3  H17  H  HCH2  0   0.217   7.2987  -0.0043   0.2921
 LX3  H18  H  HCH2  0   0.216   6.4941   1.1514   1.3242
 LX3  H19  H  HCH2  0   0.215   4.4745   1.0805  -0.1635
 LX3  H20  H  HCH2  0   0.211   5.2932  -0.0545  -1.2158
 LX3  H21  H  HCH2  0   0.212   5.4779  -1.6677   0.7012
 LX3  H22  H  HCH2  0   0.210   4.6476  -0.5228   1.7325
 LX3  H23  H  HCH2  0   0.217   2.6492  -0.6222   0.2052
 LX3  H24  H  HCH2  0   0.220   3.4803  -1.8016  -0.7863
 LX3  H25  H  HCH2  0   0.237   3.6198  -3.3490   1.1848
 LX3  H26  H  HCH2  0   0.236   2.7798  -2.1632   2.1643
 LX3  H27  H  HCR6  0   0.234   0.4427  -1.4553   1.4617
 LX3  H28  H  HCR6  0   0.244   2.3831  -4.8802  -0.1881
 LX3  H29  H  HCR6  0   0.252   0.2004  -5.7262  -0.9764
 LX3  H30  H  HCR6  0   0.250  -1.8468  -4.4499  -0.5786
 LX3  H31  H  H     0   0.238  -1.0459  -0.2154   0.5088
 LX3  H32  H  H     0   0.236  -4.1131  -0.2220   0.9516
 LX3  H33  H  H     0   0.249  -0.7550   1.4434   2.4230
 LX3  H34  H  H     0   0.247   0.1128   2.8121   1.5433
 LX3  H35  H  HCH1  0   0.228  -0.9523   4.0600  -0.1148
 LX3  H36  H  HOH1  0   0.450  -1.0514   2.2445  -1.5880
 LX3  H37  H  HCH2  0   0.239  -3.0305   4.8513   0.7846
 LX3  H38  H  HCH2  0   0.252  -3.1111   4.9817  -0.9681
 LX3  H39  H  HCH1  0   0.207  -4.4262   2.8741  -1.0726
 LX3  H40  H  HOH1  0   0.449  -6.2580   3.7910  -0.0450
 LX3  H41  H  HCH2  0   0.249  -5.1912   1.7738   0.9999
 LX3  H42  H  HCH2  0   0.241  -4.2992   2.9544   1.9639
 LX3  C17  C  CH2   0  -0.507   2.8782  -2.5466   1.1442

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
 LX3  C12  C10  single    1.524  0.020  1.524
 LX3  C11  C10  single    1.529  0.020  1.529
 LX3  C10  C13  single    1.536  0.020  1.536
 LX3  C10  O9   single    1.423  0.020  1.423
 LX3  C13  C14  single    1.523  0.020  1.523
 LX3  C14  C15  single    1.524  0.020  1.524
 LX3  C4   C5   single    1.522  0.020  1.522
 LX3  C15  C16  single    1.523  0.020  1.523
 LX3  C16  C17  single    1.530  0.020  1.530
 LX3  C28  C27  double    1.332  0.020  1.332
 LX3  C6   C5   single    1.523  0.020  1.523
 LX3  C6   C7   single    1.532  0.020  1.532
 LX3  C27  C26  single    1.474  0.020  1.474
 LX3  C27  C29  single    1.512  0.020  1.512
 LX3  C34  C26  single    1.504  0.020  1.504
 LX3  C34  C32  single    1.532  0.020  1.532
 LX3  C31  C32  single    1.522  0.020  1.522
 LX3  C31  C29  single    1.522  0.020  1.522
 LX3  O30  C29  single    1.415  0.020  1.415
 LX3  C26  C25  double    1.346  0.020  1.346
 LX3  C17  C18  single    1.503  0.020  1.503
 LX3  C32  O33  single    1.412  0.020  1.412
 LX3  C25  C24  single    1.446  0.020  1.446
 LX3  C19  C18  aromatic  1.391  0.020  1.391
 LX3  C19  C23  aromatic  1.398  0.020  1.398
 LX3  C24  C8   double    1.349  0.020  1.349
 LX3  C7   C8   single    1.508  0.020  1.508
 LX3  C8   C23  single    1.477  0.020  1.477
 LX3  C18  C20  aromatic  1.392  0.020  1.392
 LX3  C23  C22  aromatic  1.399  0.020  1.399
 LX3  C20  C21  aromatic  1.388  0.020  1.388
 LX3  C22  C21  aromatic  1.386  0.020  1.386
 LX3  C4   H1   single    0.970  0.020  1.090
 LX3  C4   H2   single    0.970  0.020  1.090
 LX3  C4   H3   single    0.970  0.020  1.090
 LX3  C5   H4   single    0.970  0.020  1.090
 LX3  C5   H5   single    0.970  0.020  1.090
 LX3  C6   H6   single    0.970  0.020  1.090
 LX3  C6   H7   single    0.970  0.020  1.090
 LX3  C7   H8   single    0.970  0.020  1.090
 LX3  C7   H9   single    0.970  0.020  1.090
 LX3  O9   H10  single    0.850  0.020  0.980
 LX3  C11  H11  single    0.970  0.020  1.090
 LX3  C11  H12  single    0.970  0.020  1.090
 LX3  C11  H13  single    0.970  0.020  1.090
 LX3  C12  H14  single    0.970  0.020  1.090
 LX3  C12  H15  single    0.970  0.020  1.090
 LX3  C12  H16  single    0.970  0.020  1.090
 LX3  C13  H17  single    0.970  0.020  1.090
 LX3  C13  H18  single    0.970  0.020  1.090
 LX3  C14  H19  single    0.970  0.020  1.090
 LX3  C14  H20  single    0.970  0.020  1.090
 LX3  C15  H21  single    0.970  0.020  1.090
 LX3  C15  H22  single    0.970  0.020  1.090
 LX3  C16  H23  single    0.970  0.020  1.090
 LX3  C16  H24  single    0.970  0.020  1.090
 LX3  C17  H25  single    0.970  0.020  1.090
 LX3  C17  H26  single    0.970  0.020  1.090
 LX3  C19  H27  single    0.930  0.020  1.080
 LX3  C20  H28  single    0.930  0.020  1.080
 LX3  C21  H29  single    0.930  0.020  1.080
 LX3  C22  H30  single    0.930  0.020  1.080
 LX3  C24  H31  single    0.930  0.020  1.080
 LX3  C25  H32  single    0.930  0.020  1.080
 LX3  C28  H33  single    0.930  0.020  1.080
 LX3  C28  H34  single    0.930  0.020  1.080
 LX3  C29  H35  single    0.970  0.020  1.090
 LX3  O30  H36  single    0.850  0.020  0.980
 LX3  C31  H37  single    0.970  0.020  1.090
 LX3  C31  H38  single    0.970  0.020  1.090
 LX3  C32  H39  single    0.970  0.020  1.090
 LX3  O33  H40  single    0.850  0.020  0.980
 LX3  C34  H41  single    0.970  0.020  1.090
 LX3  C34  H42  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
 LX3  H3   C4   H2   107.60  3.000
 LX3  H3   C4   H1   107.54  3.000
 LX3  H2   C4   H1   107.60  3.000
 LX3  H3   C4   C5   111.28  3.000
 LX3  H2   C4   C5   111.40  3.000
 LX3  H1   C4   C5   111.23  3.000
 LX3  H5   C5   H4   106.10  3.000
 LX3  H5   C5   C6   109.45  3.000
 LX3  H4   C5   C6   109.19  3.000
 LX3  H5   C5   C4   109.50  3.000
 LX3  H4   C5   C4   109.53  3.000
 LX3  C6   C5   C4   112.84  3.000
 LX3  H7   C6   H6   105.99  3.000
 LX3  H7   C6   C7   109.30  3.000
 LX3  H6   C6   C7   109.94  3.000
 LX3  H7   C6   C5   109.52  3.000
 LX3  H6   C6   C5   109.46  3.000
 LX3  C7   C6   C5   112.43  3.000
 LX3  H9   C7   H8   105.38  3.000
 LX3  H9   C7   C8   109.93  3.000
 LX3  H8   C7   C8   109.60  3.000
 LX3  H9   C7   C6   109.19  3.000
 LX3  H8   C7   C6   108.71  3.000
 LX3  C8   C7   C6   113.70  3.000
 LX3  C24  C8   C23  119.74  3.000
 LX3  C23  C8   C7   118.16  3.000
 LX3  C24  C8   C7   122.07  3.000
 LX3  H10  O9   C10  108.12  3.000
 LX3  C13  C10  C12  111.54  3.000
 LX3  C13  C10  C11  109.14  3.000
 LX3  C12  C10  C11  109.67  3.000
 LX3  C13  C10  O9   110.63  3.000
 LX3  C11  C10  O9   109.83  3.000
 LX3  C12  C10  O9   105.98  3.000
 LX3  H13  C11  H12  107.90  3.000
 LX3  H13  C11  H11  107.49  3.000
 LX3  H12  C11  H11  108.15  3.000
 LX3  H13  C11  C10  111.26  3.000
 LX3  H12  C11  C10  110.91  3.000
 LX3  H11  C11  C10  110.99  3.000
 LX3  H16  C12  H15  107.85  3.000
 LX3  H16  C12  H14  107.78  3.000
 LX3  H15  C12  H14  107.71  3.000
 LX3  H16  C12  C10  111.98  3.000
 LX3  H15  C12  C10  110.89  3.000
 LX3  H14  C12  C10  110.46  3.000
 LX3  H18  C13  H17  105.55  3.000
 LX3  H18  C13  C14  109.31  3.000
 LX3  H17  C13  C14  108.90  3.000
 LX3  H18  C13  C10  108.34  3.000
 LX3  H17  C13  C10  108.31  3.000
 LX3  C14  C13  C10  115.93  3.000
 LX3  H20  C14  H19  106.32  3.000
 LX3  H20  C14  C15  109.34  3.000
 LX3  H19  C14  C15  108.69  3.000
 LX3  H20  C14  C13  109.88  3.000
 LX3  H19  C14  C13  110.26  3.000
 LX3  C15  C14  C13  112.17  3.000
 LX3  H22  C15  H21  106.03  3.000
 LX3  H22  C15  C16  109.36  3.000
 LX3  H21  C15  C16  109.34  3.000
 LX3  H22  C15  C14  109.35  3.000
 LX3  H21  C15  C14  109.59  3.000
 LX3  C16  C15  C14  112.94  3.000
 LX3  H24  C16  H23  106.15  3.000
 LX3  H24  C16  C17  109.27  3.000
 LX3  H23  C16  C17  109.14  3.000
 LX3  H24  C16  C15  109.64  3.000
 LX3  H23  C16  C15  109.61  3.000
 LX3  C17  C16  C15  112.81  3.000
 LX3  C20  C18  C19  118.58  3.000
 LX3  C20  C18  C17  121.26  3.000
 LX3  C19  C18  C17  120.14  3.000
 LX3  H27  C19  C23  119.18  3.000
 LX3  H27  C19  C18  118.54  3.000
 LX3  C23  C19  C18  122.25  3.000
 LX3  H28  C20  C21  120.01  3.000
 LX3  H28  C20  C18  119.76  3.000
 LX3  C21  C20  C18  120.23  3.000
 LX3  H29  C21  C22  119.60  3.000
 LX3  H29  C21  C20  119.90  3.000
 LX3  C22  C21  C20  120.50  3.000
 LX3  H30  C22  C23  120.36  3.000
 LX3  H30  C22  C21  118.99  3.000
 LX3  C23  C22  C21  120.65  3.000
 LX3  C22  C23  C19  117.76  3.000
 LX3  C22  C23  C8   121.11  3.000
 LX3  C19  C23  C8   121.13  3.000
 LX3  H31  C24  C25  115.95  3.000
 LX3  H31  C24  C8   118.42  3.000
 LX3  C25  C24  C8   125.58  3.000
 LX3  H32  C25  C26  116.45  3.000
 LX3  H32  C25  C24  117.48  3.000
 LX3  C26  C25  C24  126.03  3.000
 LX3  C34  C26  C27  113.44  3.000
 LX3  C34  C26  C25  121.53  3.000
 LX3  C27  C26  C25  124.98  3.000
 LX3  C29  C27  C28  121.51  3.000
 LX3  C29  C27  C26  114.31  3.000
 LX3  C28  C27  C26  124.16  3.000
 LX3  H34  C28  H33  116.68  3.000
 LX3  H34  C28  C27  121.16  3.000
 LX3  H33  C28  C27  122.14  3.000
 LX3  H35  C29  C31  108.70  3.000
 LX3  H35  C29  O30  110.72  3.000
 LX3  C31  C29  O30  107.59  3.000
 LX3  H35  C29  C27  108.89  3.000
 LX3  O30  C29  C27  110.16  3.000
 LX3  C31  C29  C27  110.76  3.000
 LX3  H36  O30  C29  108.20  3.000
 LX3  H38  C31  H37  107.04  3.000
 LX3  H38  C31  C32  110.40  3.000
 LX3  H37  C31  C32  109.21  3.000
 LX3  H38  C31  C29  109.52  3.000
 LX3  H37  C31  C29  108.37  3.000
 LX3  C32  C31  C29  112.15  3.000
 LX3  H39  C32  C34  108.00  3.000
 LX3  H39  C32  O33  110.40  3.000
 LX3  C34  C32  O33  111.65  3.000
 LX3  H39  C32  C31  108.99  3.000
 LX3  O33  C32  C31  107.55  3.000
 LX3  C34  C32  C31  110.22  3.000
 LX3  H40  O33  C32  108.19  3.000
 LX3  H42  C34  H41  107.43  3.000
 LX3  H42  C34  C32  108.08  3.000
 LX3  H41  C34  C32  110.21  3.000
 LX3  H42  C34  C26  109.67  3.000
 LX3  H41  C34  C26  110.40  3.000
 LX3  C32  C34  C26  110.96  3.000
 LX3  H26  C17  H25  106.47  3.000
 LX3  H26  C17  C18  109.85  3.000
 LX3  H25  C17  C18  109.81  3.000
 LX3  H26  C17  C16  109.00  3.000
 LX3  H25  C17  C16  109.37  3.000
 LX3  C18  C17  C16  112.17  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
 LX3  CONST_01  C22  C23  C19  C18     0.00   0.0  0
 LX3  CONST_02  C22  C21  C20  C18     0.00   0.0  0
 LX3  CONST_03  C21  C20  C18  C19     0.00   0.0  0
 LX3  CONST_04  C21  C22  C23  C19     0.00   0.0  0
 LX3  CONST_05  C23  C19  C18  C20     0.00   0.0  0
 LX3  CONST_06  C23  C22  C21  C20     0.00   0.0  0
 LX3  CONST_07  C18  C19  C23  C8    180.00   0.0  0
 LX3  CONST_08  C21  C22  C23  C8    180.00   0.0  0
 LX3  CONST_09  C23  C19  C18  C17   180.00   0.0  0
 LX3  CONST_10  C21  C20  C18  C17   180.00   0.0  0
 LX3  CONST_11  H29  C21  C20  C18   180.00   0.0  0
 LX3  CONST_12  H28  C20  C18  C19   180.00   0.0  0
 LX3  CONST_13  H30  C22  C23  C19   180.00   0.0  0
 LX3  CONST_14  H27  C19  C18  C20   180.00   0.0  0
 LX3  Var_01    C32  C34  C26  C27    53.16  30.0  1
 LX3  Var_02    C34  C26  C27  C29   -51.34  30.0  1
 LX3  Var_03    C19  C23  C8   C7   -149.84  30.0  2
 LX3  Var_04    C19  C18  C17  C16   -76.25  30.0  2
 LX3  Var_05    C27  C26  C25  C24    -2.36  30.0  2
 LX3  Var_06    H33  C28  C27  C26     0.42  30.0  2
 LX3  Var_07    C25  C24  C8   C23   179.37   0.0  2
 LX3  Var_08    C23  C8   C7   C6    -97.55  30.0  3
 LX3  Var_09    C26  C25  C24  C8    178.87  30.0  2
 LX3  Var_10    C18  C17  C16  C15  -179.65  30.0  3
 LX3  Var_11    C7   C6   C5   C4   -179.81  30.0  1
 LX3  Var_12    C8   C7   C6   C5   -178.93  30.0  3
 LX3  Var_13    C14  C13  C10  O9    -55.99  30.0  3
 LX3  Var_14    C15  C14  C13  C10   179.28  30.0  3
 LX3  Var_15    C16  C15  C14  C13  -179.27  30.0  3
 LX3  Var_16    C17  C16  C15  C14  -178.04  30.0  3
 LX3  Var_17    H1   C4   C5   C6     60.23  30.0  3
 LX3  Var_18    H14  C12  C10  O9    177.70  30.0  3
 LX3  Var_19    H11  C11  C10  O9    -62.24  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
 LX3  chir_01  C29  C27  C31  O30  positiv
 LX3  chir_02  C32  O33  C34  C31  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
 LX3  plan-1  C8   0.020
 LX3  plan-1  C18  0.020
 LX3  plan-1  C19  0.020
 LX3  plan-1  C20  0.020
 LX3  plan-1  C21  0.020
 LX3  plan-1  C22  0.020
 LX3  plan-1  C23  0.020
 LX3  plan-1  H27  0.020
 LX3  plan-1  H28  0.020
 LX3  plan-1  H29  0.020
 LX3  plan-1  H30  0.020
 LX3  plan-1  C17  0.020
 LX3  plan-2  C7   0.020
 LX3  plan-2  C8   0.020
 LX3  plan-2  C23  0.020
 LX3  plan-2  C24  0.020
 LX3  plan-2  C25  0.020
 LX3  plan-2  H31  0.020

