# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Thu Jun  4 20:45:39 2020
#   Inital geometry file: a 183 line input string
#   Ligand name: 7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1c(CC=C(C)C)c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc1OCCCCCCC(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
 M36  M36  '7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid'  ligand  74  39  .  2021-08-14  2021-08-14  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_M36
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
 M36  O16  O  O      0  -0.502  -3.7131   2.0672   0.7529
 M36  C10  C  CR6    0   0.503  -2.9507   1.1161   0.5253
 M36  C9   C  CR66   0  -0.319  -3.4970  -0.2058   0.2997
 M36  C14  C  CR6    0   0.348  -4.8952  -0.4377   0.3368
 M36  O17  O  OH1    0  -0.618  -5.7382   0.5544   0.5872
 M36  C13  C  CR66   0  -0.158  -5.4085  -1.7096   0.1025
 M36  C26  C  CR16   0  -0.192  -6.8303  -2.0054   0.0484
 M36  C25  C  CR16   0  -0.259  -7.2395  -3.2710  -0.0066
 M36  C24  C  CR6    0   0.144  -6.2568  -4.4055   0.0588
 M36  C28  C  CH3    0  -0.648  -6.0813  -4.8690   1.5018
 M36  C27  C  CH3    0  -0.664  -6.6793  -5.5528  -0.8431
 M36  O23  O  O      0  -0.488  -4.9676  -3.9806  -0.4449
 M36  C12  C  CR66   0   0.405  -4.5135  -2.7574  -0.1675
 M36  C11  C  CR16   0  -0.503  -3.1400  -2.5628  -0.2141
 M36  C8   C  CR66   0   0.394  -2.6613  -1.2872   0.0187
 M36  O7   O  O      0  -0.480  -1.3317  -1.1212  -0.0233
 M36  C5   C  CR66   0  -0.130  -1.4974   1.2395   0.4650
 M36  C4   C  CR66   0   0.361  -0.7605   0.0814   0.1962
 M36  C3   C  CR16   0  -0.522   0.6248   0.0660   0.1266
 M36  C6   C  CR6    0   0.016  -0.7791   2.4515   0.6775
 M36  C15  C  CH2    0  -0.581  -1.4586   3.7825   0.9154
 M36  C19  C  C1     0  -0.254  -1.9198   4.3750  -0.3864
 M36  C20  C  C      0   0.088  -1.4843   5.4927  -0.9726
 M36  C21  C  CH3    0  -0.717  -0.4271   6.4081  -0.4319
 M36  C22  C  CH3    0  -0.705  -2.0548   5.9326  -2.2910
 M36  C1   C  CR6    0   0.243   0.6006   2.4372   0.6025
 M36  O38  O  O2     0  -0.481   1.3169   3.5822   0.7476
 M36  C39  C  CH3    0  -0.418   1.8718   3.7863   2.0420
 M36  C2   C  CR6    0   0.365   1.3132   1.2444   0.3355
 M36  O18  O  O2     0  -0.452   2.6370   1.3578   0.2959
 M36  C29  C  CH2    0  -0.183   3.4287   0.1967   0.0573
 M36  C30  C  CH2    0  -0.452   4.8868   0.5794   0.1791
 M36  C31  C  CH2    0  -0.425   5.7957  -0.6149  -0.0911
 M36  C32  C  CH2    0  -0.410   7.2651  -0.3031   0.1581
 M36  C33  C  CH2    0  -0.403   8.1879  -1.4816  -0.1304
 M36  C34  C  CH2    0  -0.581   9.6427  -1.1682   0.1762
 M36  C35  C  C      0   0.410  10.6536  -2.3001  -0.0765
 M36  O37  O  OC    -1  -0.635  11.8556  -2.0072   0.1019
 M36  O36  O  O      0  -0.610  10.2118  -3.4120  -0.4273
 M36  H1   H  HOH1   0   0.483  -5.1901   1.3736   0.7050
 M36  H2   H  HCR6   0   0.260  -7.5432  -1.1923   0.0325
 M36  H3   H  HCR6   0   0.264  -8.2917  -3.5223  -0.0616
 M36  H4   H  HCH3   0   0.242  -7.0360  -5.2100   1.9028
 M36  H5   H  HCH3   0   0.241  -5.3720  -5.6962   1.5652
 M36  H6   H  HCH3   0   0.239  -5.7264  -4.0559   2.1373
 M36  H7   H  HCH3   0   0.245  -6.8107  -5.2171  -1.8721
 M36  H8   H  HCH3   0   0.245  -5.9419  -6.3562  -0.8291
 M36  H9   H  HCH3   0   0.238  -7.6285  -5.9637  -0.4995
 M36  H10  H  HCR6   0   0.281  -2.4667  -3.3828  -0.4251
 M36  H11  H  HCR6   0   0.307   1.1262  -0.8661  -0.0930
 M36  H12  H  HCH2   0   0.269  -2.3092   3.6518   1.5805
 M36  H13  H  HCH2   0   0.265  -0.7719   4.4562   1.4199
 M36  H14  H  H      0   0.232  -2.6881   3.8060  -0.9005
 M36  H15  H  HCH3   0   0.234   0.4099   6.4737  -1.1317
 M36  H16  H  HCH3   0   0.232  -0.8213   7.4219  -0.3266
 M36  H17  H  HCH3   0   0.242  -0.0253   6.1039   0.5309
 M36  H18  H  HCH3   0   0.230  -2.4773   6.9381  -2.2188
 M36  H19  H  HCH3   0   0.231  -1.2753   5.9793  -3.0560
 M36  H20  H  HCH3   0   0.236  -2.8372   5.2632  -2.6479
 M36  H21  H  HCH3   0   0.221   1.1000   3.7689   2.8158
 M36  H22  H  HCH3   0   0.232   2.6296   3.0388   2.2843
 M36  H23  H  HCH3   0   0.242   2.3374   4.7698   2.0355
 M36  H24  H  HCH2   0   0.231   3.1841  -0.5806   0.7892
 M36  H25  H  HCH2   0   0.232   3.2105  -0.2005  -0.9401
 M36  H26  H  HCH2   0   0.232   5.1193   1.3861  -0.5215
 M36  H27  H  HCH2   0   0.230   5.0755   0.9635   1.1860
 M36  H28  H  HCH2   0   0.215   5.4944  -1.4562   0.5427
 M36  H29  H  HCH2   0   0.217   5.6615  -0.9497  -1.1249
 M36  H30  H  HCH2   0   0.206   7.5658   0.5548  -0.4539
 M36  H31  H  HCH2   0   0.206   7.3926   0.0122   1.1998
 M36  H32  H  HCH2   0   0.201   7.8626  -2.3461   0.4562
 M36  H33  H  HCH2   0   0.202   8.0812  -1.7740  -1.1794
 M36  H34  H  HCH2   0   0.214   9.9612  -0.2905  -0.3984
 M36  H35  H  HCH2   0   0.217   9.7353  -0.8629   1.2258

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
 M36  C22  C20  single    1.502  0.020  1.502
 M36  C21  C20  single    1.499  0.020  1.499
 M36  C20  C19  double    1.335  0.020  1.335
 M36  C19  C15  single    1.503  0.020  1.503
 M36  C39  O38  single    1.423  0.020  1.423
 M36  C15  C6   single    1.513  0.020  1.513
 M36  O38  C1   single    1.358  0.020  1.358
 M36  O16  C10  double    1.240  0.020  1.240
 M36  C6   C1   aromatic  1.382  0.020  1.382
 M36  C6   C5   aromatic  1.425  0.020  1.425
 M36  C1   C2   aromatic  1.415  0.020  1.415
 M36  C10  C5   single    1.460  0.020  1.460
 M36  C10  C9   single    1.448  0.020  1.448
 M36  O17  C14  single    1.326  0.020  1.326
 M36  C5   C4   aromatic  1.399  0.020  1.399
 M36  O36  C35  deloc     1.247  0.020  1.247
 M36  C2   O18  single    1.329  0.020  1.329
 M36  C2   C3   aromatic  1.381  0.020  1.381
 M36  O18  C29  single    1.425  0.020  1.425
 M36  O37  C35  deloc     1.250  0.020  1.250
 M36  C35  C34  single    1.538  0.020  1.538
 M36  C9   C14  aromatic  1.418  0.020  1.418
 M36  C9   C8   aromatic  1.395  0.020  1.395
 M36  C14  C13  aromatic  1.391  0.020  1.391
 M36  C4   C3   aromatic  1.387  0.020  1.387
 M36  C4   O7   single    1.349  0.020  1.349
 M36  C29  C30  single    1.512  0.020  1.512
 M36  C34  C33  single    1.519  0.020  1.519
 M36  C32  C33  single    1.524  0.020  1.524
 M36  C32  C31  single    1.523  0.020  1.523
 M36  C30  C31  single    1.525  0.020  1.525
 M36  C13  C26  single    1.453  0.020  1.453
 M36  C13  C12  aromatic  1.404  0.020  1.404
 M36  C8   O7   single    1.341  0.020  1.341
 M36  C8   C11  aromatic  1.382  0.020  1.382
 M36  C26  C25  double    1.331  0.020  1.331
 M36  C25  C24  single    1.502  0.020  1.502
 M36  C12  C11  aromatic  1.388  0.020  1.388
 M36  C12  O23  single    1.334  0.020  1.334
 M36  C28  C24  single    1.526  0.020  1.526
 M36  C24  O23  single    1.448  0.020  1.448
 M36  C24  C27  single    1.519  0.020  1.519
 M36  O17  H1   single    0.850  0.020  0.980
 M36  C26  H2   single    0.930  0.020  1.080
 M36  C25  H3   single    0.930  0.020  1.080
 M36  C28  H4   single    0.970  0.020  1.090
 M36  C28  H5   single    0.970  0.020  1.090
 M36  C28  H6   single    0.970  0.020  1.090
 M36  C27  H7   single    0.970  0.020  1.090
 M36  C27  H8   single    0.970  0.020  1.090
 M36  C27  H9   single    0.970  0.020  1.090
 M36  C11  H10  single    0.930  0.020  1.080
 M36  C3   H11  single    0.930  0.020  1.080
 M36  C15  H12  single    0.970  0.020  1.090
 M36  C15  H13  single    0.970  0.020  1.090
 M36  C19  H14  single    0.930  0.020  1.080
 M36  C21  H15  single    0.970  0.020  1.090
 M36  C21  H16  single    0.970  0.020  1.090
 M36  C21  H17  single    0.970  0.020  1.090
 M36  C22  H18  single    0.970  0.020  1.090
 M36  C22  H19  single    0.970  0.020  1.090
 M36  C22  H20  single    0.970  0.020  1.090
 M36  C39  H21  single    0.970  0.020  1.090
 M36  C39  H22  single    0.970  0.020  1.090
 M36  C39  H23  single    0.970  0.020  1.090
 M36  C29  H24  single    0.970  0.020  1.090
 M36  C29  H25  single    0.970  0.020  1.090
 M36  C30  H26  single    0.970  0.020  1.090
 M36  C30  H27  single    0.970  0.020  1.090
 M36  C31  H28  single    0.970  0.020  1.090
 M36  C31  H29  single    0.970  0.020  1.090
 M36  C32  H30  single    0.970  0.020  1.090
 M36  C32  H31  single    0.970  0.020  1.090
 M36  C33  H32  single    0.970  0.020  1.090
 M36  C33  H33  single    0.970  0.020  1.090
 M36  C34  H34  single    0.970  0.020  1.090
 M36  C34  H35  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
 M36  C5   C10  C9   116.51  3.000
 M36  C9   C10  O16  119.79  3.000
 M36  C5   C10  O16  123.70  3.000
 M36  C8   C9   C14  117.98  3.000
 M36  C8   C9   C10  120.86  3.000
 M36  C14  C9   C10  121.16  3.000
 M36  C13  C14  O17  118.77  3.000
 M36  C13  C14  C9   120.59  3.000
 M36  O17  C14  C9   120.64  3.000
 M36  H1   O17  C14  106.79  3.000
 M36  C12  C13  C26  117.68  3.000
 M36  C12  C13  C14  118.64  3.000
 M36  C26  C13  C14  123.59  3.000
 M36  H2   C26  C25  120.76  3.000
 M36  H2   C26  C13  119.50  3.000
 M36  C25  C26  C13  119.72  3.000
 M36  H3   C25  C24  117.55  3.000
 M36  H3   C25  C26  121.41  3.000
 M36  C24  C25  C26  121.00  3.000
 M36  O23  C24  C27  105.23  3.000
 M36  C27  C24  C28  111.35  3.000
 M36  O23  C24  C28  108.40  3.000
 M36  C27  C24  C25  111.26  3.000
 M36  O23  C24  C25  110.22  3.000
 M36  C28  C24  C25  110.23  3.000
 M36  H6   C28  H5   108.63  3.000
 M36  H6   C28  H4   107.67  3.000
 M36  H5   C28  H4   108.10  3.000
 M36  H6   C28  C24  111.21  3.000
 M36  H5   C28  C24  111.10  3.000
 M36  H4   C28  C24  110.01  3.000
 M36  H9   C27  H8   107.89  3.000
 M36  H9   C27  H7   107.98  3.000
 M36  H8   C27  H7   108.69  3.000
 M36  H9   C27  C24  109.86  3.000
 M36  H8   C27  C24  111.14  3.000
 M36  H7   C27  C24  111.18  3.000
 M36  C12  O23  C24  119.99  3.000
 M36  C11  C12  O23  117.28  3.000
 M36  O23  C12  C13  120.48  3.000
 M36  C11  C12  C13  122.18  3.000
 M36  H10  C11  C8   121.12  3.000
 M36  H10  C11  C12  121.07  3.000
 M36  C8   C11  C12  117.80  3.000
 M36  O7   C8   C11  116.91  3.000
 M36  C11  C8   C9   122.81  3.000
 M36  O7   C8   C9   120.29  3.000
 M36  C4   O7   C8   121.68  3.000
 M36  C6   C5   C4   117.87  3.000
 M36  C4   C5   C10  117.54  3.000
 M36  C6   C5   C10  124.59  3.000
 M36  C3   C4   C5   123.02  3.000
 M36  C3   C4   O7   113.87  3.000
 M36  C5   C4   O7   123.11  3.000
 M36  H11  C3   C2   122.37  3.000
 M36  H11  C3   C4   118.89  3.000
 M36  C2   C3   C4   118.74  3.000
 M36  C1   C6   C15  117.77  3.000
 M36  C1   C6   C5   119.11  3.000
 M36  C15  C6   C5   123.05  3.000
 M36  H13  C15  H12  106.55  3.000
 M36  H13  C15  C19  110.60  3.000
 M36  H12  C15  C19  109.70  3.000
 M36  H13  C15  C6   109.55  3.000
 M36  H12  C15  C6   109.97  3.000
 M36  C19  C15  C6   110.39  3.000
 M36  H14  C19  C20  117.50  3.000
 M36  H14  C19  C15  114.89  3.000
 M36  C20  C19  C15  127.61  3.000
 M36  C22  C20  C21  113.92  3.000
 M36  C21  C20  C19  125.65  3.000
 M36  C22  C20  C19  120.43  3.000
 M36  H17  C21  H16  107.92  3.000
 M36  H17  C21  H15  107.51  3.000
 M36  H16  C21  H15  106.39  3.000
 M36  H17  C21  C20  114.16  3.000
 M36  H16  C21  C20  110.29  3.000
 M36  H15  C21  C20  110.23  3.000
 M36  H20  C22  H19  108.00  3.000
 M36  H20  C22  H18  108.01  3.000
 M36  H19  C22  H18  106.41  3.000
 M36  H20  C22  C20  112.34  3.000
 M36  H19  C22  C20  110.85  3.000
 M36  H18  C22  C20  110.99  3.000
 M36  C2   C1   O38  117.72  3.000
 M36  C2   C1   C6   121.46  3.000
 M36  O38  C1   C6   120.79  3.000
 M36  C39  O38  C1   115.07  3.000
 M36  H23  C39  H22  108.85  3.000
 M36  H23  C39  H21  108.71  3.000
 M36  H22  C39  H21  108.79  3.000
 M36  H23  C39  O38  106.92  3.000
 M36  H22  C39  O38  111.99  3.000
 M36  H21  C39  O38  111.49  3.000
 M36  O18  C2   C1   115.81  3.000
 M36  O18  C2   C3   124.39  3.000
 M36  C1   C2   C3   119.80  3.000
 M36  C29  O18  C2   119.25  3.000
 M36  H25  C29  H24  107.85  3.000
 M36  H25  C29  C30  110.93  3.000
 M36  H24  C29  C30  109.94  3.000
 M36  H25  C29  O18  109.70  3.000
 M36  H24  C29  O18  110.01  3.000
 M36  C30  C29  O18  108.41  3.000
 M36  H27  C30  H26  107.10  3.000
 M36  H27  C30  C31  109.59  3.000
 M36  H26  C30  C31  109.73  3.000
 M36  H27  C30  C29  109.22  3.000
 M36  H26  C30  C29  109.88  3.000
 M36  C31  C30  C29  111.23  3.000
 M36  H29  C31  H28  106.13  3.000
 M36  H29  C31  C32  109.60  3.000
 M36  H28  C31  C32  109.14  3.000
 M36  H29  C31  C30  109.49  3.000
 M36  H28  C31  C30  109.57  3.000
 M36  C32  C31  C30  112.69  3.000
 M36  H31  C32  H30  105.88  3.000
 M36  H31  C32  C33  109.39  3.000
 M36  H30  C32  C33  109.48  3.000
 M36  H31  C32  C31  109.07  3.000
 M36  H30  C32  C31  109.49  3.000
 M36  C33  C32  C31  113.26  3.000
 M36  H33  C33  H32  105.89  3.000
 M36  H33  C33  C34  109.99  3.000
 M36  H32  C33  C34  109.85  3.000
 M36  H33  C33  C32  109.21  3.000
 M36  H32  C33  C32  109.23  3.000
 M36  C34  C33  C32  112.46  3.000
 M36  H35  C34  H34  104.72  3.000
 M36  H35  C34  C35  107.84  3.000
 M36  H34  C34  C35  108.19  3.000
 M36  H35  C34  C33  109.34  3.000
 M36  H34  C34  C33  109.72  3.000
 M36  C35  C34  C33  116.38  3.000
 M36  O36  C35  O37  126.15  3.000
 M36  O37  C35  C34  115.85  3.000
 M36  O36  C35  C34  118.00  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
 M36  CONST_01  C12  C13  C14  C9      0.00   0.0  0
 M36  CONST_02  C12  C11  C8   C9      0.00   0.0  0
 M36  CONST_03  C11  C8   C9   C14     0.00   0.0  0
 M36  CONST_04  C11  C12  C13  C14     0.00   0.0  0
 M36  CONST_05  C8   C9   C14  C13     0.00   0.0  0
 M36  CONST_06  C8   C11  C12  C13     0.00   0.0  0
 M36  CONST_07  C2   C1   C6   C5      0.00   0.0  0
 M36  CONST_08  C2   C3   C4   C5      0.00   0.0  0
 M36  CONST_09  C1   C6   C5   C4      0.00   0.0  0
 M36  CONST_10  C1   C2   C3   C4      0.00   0.0  0
 M36  CONST_11  C6   C1   C2   C3      0.00   0.0  0
 M36  CONST_12  C6   C5   C4   C3      0.00   0.0  0
 M36  CONST_13  C15  C6   C5   C10     0.00   0.0  0
 M36  CONST_14  O17  C14  C9   C10     0.00   0.0  0
 M36  CONST_15  C8   C9   C14  O17   180.00   0.0  0
 M36  CONST_16  C26  C13  C14  O17     0.00   0.0  0
 M36  CONST_17  C12  C13  C14  O17   180.00   0.0  0
 M36  CONST_18  O38  C1   C6   C5    180.00   0.0  0
 M36  CONST_19  C15  C6   C5   C4    180.00   0.0  0
 M36  CONST_20  O18  C2   C3   C4    180.00   0.0  0
 M36  CONST_21  O38  C1   C2   C3    180.00   0.0  0
 M36  CONST_22  O18  C2   C1   C6    180.00   0.0  0
 M36  CONST_23  C2   C1   C6   C15   180.00   0.0  0
 M36  CONST_24  H10  C11  C8   C9    180.00   0.0  0
 M36  CONST_25  H11  C3   C4   O7      0.00   0.0  0
 M36  Var_01    C6   C5   C10  C9   -179.13  30.0  1
 M36  Var_02    C5   C10  C9   C14   179.95  30.0  1
 M36  Var_03    C25  C26  C13  C14  -171.28  30.0  1
 M36  Var_04    C24  C25  C26  C13     3.23  30.0  1
 M36  Var_05    O23  C24  C25  C26   -27.04  30.0  1
 M36  Var_06    C11  C12  O23  C24   156.30  30.0  1
 M36  Var_07    C5   C4   O7   C8     -0.82  30.0  1
 M36  Var_08    C19  C15  C6   C5    -79.85  30.0  2
 M36  Var_09    C2   C1   O38  C39   -82.76  30.0  2
 M36  Var_10    H4   C28  C24  C25    60.14  30.0  3
 M36  Var_11    H7   C27  C24  C25    56.21  30.0  3
 M36  Var_12    C20  C19  C15  C6   -114.53  30.0  1
 M36  Var_13    C30  C29  O18  C2   -175.26  30.0  3
 M36  Var_14    H21  C39  O38  C1    -56.49  30.0  3
 M36  Var_15    C22  C20  C19  C15   179.45   0.0  2
 M36  Var_16    C31  C30  C29  O18  -178.93  30.0  3
 M36  Var_17    C32  C31  C30  C29  -174.27  30.0  3
 M36  Var_18    C33  C32  C31  C30  -179.04  30.0  1
 M36  Var_19    C34  C33  C32  C31  -177.75  30.0  3
 M36  Var_20    C35  C34  C33  C32   179.71  30.0  1
 M36  Var_21    O36  C35  C34  C33    -4.54  30.0  2
 M36  Var_22    H18  C22  C20  C19   122.59  30.0  3
 M36  Var_23    H15  C21  C20  C19   119.86  30.0  3

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
 M36  plan-1  O16  0.020
 M36  plan-1  C10  0.020
 M36  plan-1  C9   0.020
 M36  plan-1  C5   0.020
 M36  plan-2  C10  0.020
 M36  plan-2  C9   0.020
 M36  plan-2  C14  0.020
 M36  plan-2  O17  0.020
 M36  plan-2  C13  0.020
 M36  plan-2  C26  0.020
 M36  plan-2  O23  0.020
 M36  plan-2  C12  0.020
 M36  plan-2  C11  0.020
 M36  plan-2  C8   0.020
 M36  plan-2  O7   0.020
 M36  plan-2  H10  0.020
 M36  plan-3  C10  0.020
 M36  plan-3  O7   0.020
 M36  plan-3  C5   0.020
 M36  plan-3  C4   0.020
 M36  plan-3  C3   0.020
 M36  plan-3  C6   0.020
 M36  plan-3  C15  0.020
 M36  plan-3  C1   0.020
 M36  plan-3  O38  0.020
 M36  plan-3  C2   0.020
 M36  plan-3  O18  0.020
 M36  plan-3  H11  0.020
 M36  plan-4  C34  0.020
 M36  plan-4  C35  0.020
 M36  plan-4  O37  0.020
 M36  plan-4  O36  0.020
 M36  plan-5  C15  0.020
 M36  plan-5  C19  0.020
 M36  plan-5  C20  0.020
 M36  plan-5  C21  0.020
 M36  plan-5  C22  0.020
 M36  plan-5  H14  0.020

