# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Sun Jun 28 14:44:49 2020
#   Inital geometry file: a 202 line input string
#   Ligand name: methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COC(=O)N\C=C\CC[C@@H](C)C1=CC(=O)/C(C(=O)O1)=C(O)/C(C)=C/C=C(C)/CC[C@@H](O)C(/C)=C/C/C=C/C
#
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
 C0L  C0L  'methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate'  ligand  79  38  .  2021-08-07  2021-08-07  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_C0L
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
 C0L  C01   C  CH3   0  -0.710  -0.8362  -5.9796   0.7044
 C0L  C02   C  C1    0  -0.223  -2.3034  -5.8577   0.4507
 C0L  C03   C  C1    0  -0.190  -2.8647  -4.9892  -0.3856
 C0L  C04   C  CH2   0  -0.567  -4.3418  -4.8524  -0.6237
 C0L  C05   C  C1    0  -0.258  -4.8322  -3.5416  -0.0797
 C0L  C06   C  C     0   0.109  -5.1352  -2.4313  -0.7544
 C0L  C07   C  CH3   0  -0.760  -5.1112  -2.3029  -2.2478
 C0L  C08   C  CH1   0  -0.026  -5.4689  -1.1717   0.0211
 C0L  C09   C  CH2   0  -0.472  -4.2467  -0.2563   0.0974
 C0L  C10   C  CH2   0  -0.500  -4.4749   1.0072   0.9358
 C0L  C11   C  C     0   0.137  -3.1862   1.7484   1.1227
 C0L  C12   C  C1    0  -0.309  -2.9848   2.9382   0.5214
 C0L  C13   C  C1    0  -0.206  -1.7267   3.6335   0.5282
 C0L  C14   C  C     0  -0.066  -1.4807   4.8275  -0.0510
 C0L  C15   C  CH3   0  -0.760  -2.5215   5.6789  -0.7275
 C0L  C16   C  C     0   0.452  -0.1337   5.3663   0.0923
 C0L  C17   C  C     0  -0.497   1.0245   4.6284  -0.1259
 C0L  C18   C  C     0   0.463   2.2924   4.9704   0.5302
 C0L  C20   C  C1    0  -0.537   3.3324   3.9607   0.4018
 C0L  C21   C  C     0   0.477   3.1618   2.8667  -0.3490
 C0L  C23   C  C     0   0.537   0.9677   3.5128  -1.0559
 C0L  C25   C  CH1   0  -0.341   4.1511   1.7566  -0.5064
 C0L  C26   C  CH3   0  -0.666   4.5744   1.6013  -1.9692
 C0L  C27   C  CH2   0  -0.411   3.5806   0.4559   0.0813
 C0L  C28   C  CH2   0  -0.494   4.5992  -0.6843   0.1282
 C0L  C29   C  C1    0  -0.295   4.0402  -1.8958   0.8047
 C0L  C30   C  C1    0  -0.001   3.8469  -3.0538   0.1774
 C0L  C32   C  C     0   0.754   3.1881  -5.3759   0.1334
 C0L  C35   C  CH3   0  -0.425   2.5079  -7.6060   0.4171
 C0L  C37   C  CH3   0  -0.756  -2.1454   1.0460   1.9468
 C0L  N31   N  NH1   0  -0.691   3.3111  -4.1880   0.7762
 C0L  O19   O  O     0  -0.445   2.4748   5.9839   1.1922
 C0L  O22   O  O2    0  -0.465   2.0382   2.6613  -1.0666
 C0L  O24   O  O     0  -0.412   0.1100   3.2671  -1.8640
 C0L  O33   O  O     0  -0.506   3.5008  -5.5783  -1.0195
 C0L  O34   O  O2    0  -0.478   2.6731  -6.2943   0.9482
 C0L  O36   O  OH1   0  -0.526  -0.0238   6.6130   0.4835
 C0L  O38   O  OH1   0  -0.668  -6.6064  -0.5034  -0.4881
 C0L  H012  H  HCH3  0   0.234  -0.4803  -6.9818   0.4561
 C0L  H013  H  HCH3  0   0.231  -0.2617  -5.2621   0.1182
 C0L  H011  H  HCH3  0   0.235  -0.5996  -5.8192   1.7584
 C0L  H021  H  H     0   0.229  -2.9458  -6.5441   0.9978
 C0L  H031  H  H     0   0.231  -2.2317  -4.2927  -0.9314
 C0L  H041  H  HCH2  0   0.248  -4.5527  -4.9436  -1.6916
 C0L  H042  H  HCH2  0   0.247  -4.8689  -5.6726  -0.1288
 C0L  H051  H  H     0   0.229  -4.8815  -3.4995   1.0064
 C0L  H072  H  HCH3  0   0.242  -6.1000  -2.0557  -2.6403
 C0L  H073  H  HCH3  0   0.242  -4.4370  -1.5049  -2.5688
 C0L  H071  H  HCH3  0   0.251  -4.7876  -3.2155  -2.7427
 C0L  H081  H  HCH1  0   0.235  -5.7358  -1.4588   1.0434
 C0L  H092  H  HCH2  0   0.251  -3.4270  -0.8401   0.5217
 C0L  H091  H  HCH2  0   0.238  -3.9264   0.0361  -0.9087
 C0L  H101  H  HCH2  0   0.246  -5.2183   1.6470   0.4582
 C0L  H102  H  HCH2  0   0.243  -4.8707   0.7183   1.9160
 C0L  H121  H  H     0   0.246  -3.8032   3.3736  -0.0415
 C0L  H131  H  H     0   0.268  -0.9006   3.1467   1.0339
 C0L  H152  H  HCH3  0   0.261  -3.1436   6.2227  -0.0132
 C0L  H153  H  HCH3  0   0.265  -2.0724   6.4077  -1.4010
 C0L  H151  H  HCH3  0   0.271  -3.1905   5.0638  -1.3272
 C0L  H201  H  H     0   0.271   4.2596   4.0988   0.9413
 C0L  H251  H  HCH1  0   0.263   5.0283   2.0426   0.0814
 C0L  H263  H  HCH3  0   0.244   4.9087   2.5502  -2.3891
 C0L  H261  H  HCH3  0   0.247   5.4031   0.8999  -2.0529
 C0L  H262  H  HCH3  0   0.231   3.7575   1.2229  -2.5845
 C0L  H271  H  HCH2  0   0.240   3.2255   0.6517   1.0975
 C0L  H272  H  HCH2  0   0.234   2.7119   0.1343  -0.4993
 C0L  H281  H  HCH2  0   0.241   4.9240  -0.9477  -0.8811
 C0L  H282  H  HCH2  0   0.233   5.4916  -0.3399   0.6626
 C0L  H291  H  H     0   0.247   3.7694  -1.7962   1.8529
 C0L  H301  H  H     0   0.271   4.1070  -3.1771  -0.8660
 C0L  H352  H  HCH3  0   0.252   2.0710  -8.1957   1.2175
 C0L  H353  H  HCH3  0   0.236   1.8353  -7.6128  -0.4403
 C0L  H351  H  HCH3  0   0.245   3.4630  -8.0450   0.1285
 C0L  H373  H  HCH3  0   0.261  -1.4762   0.4546   1.3174
 C0L  H371  H  HCH3  0   0.259  -1.5273   1.7309   2.5238
 C0L  H372  H  HCH3  0   0.256  -2.6158   0.3556   2.6467
 C0L  H381  H  HOH1  0   0.447  -6.3628  -0.0481  -1.3010
 C0L  H311  H  HNH1  0   0.411   3.0341  -4.1354   1.7455
 C0L  H1    H  HOH1  0   0.498  -0.8795   6.9766   0.7519

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
 C0L  O33  C32   double  1.212  0.020  1.212
 C0L  O34  C35   single  1.425  0.020  1.425
 C0L  O34  C32   single  1.331  0.020  1.331
 C0L  C32  N31   single  1.356  0.020  1.356
 C0L  C30  N31   single  1.390  0.020  1.390
 C0L  C30  C29   double  1.331  0.020  1.331
 C0L  C28  C29   single  1.496  0.020  1.496
 C0L  C28  C27   single  1.530  0.020  1.530
 C0L  C26  C25   single  1.531  0.020  1.531
 C0L  C25  C27   single  1.537  0.020  1.537
 C0L  C25  C21   single  1.495  0.020  1.495
 C0L  C21  O22   single  1.349  0.020  1.349
 C0L  C21  C20   double  1.338  0.020  1.338
 C0L  O22  C23   single  1.368  0.020  1.368
 C0L  C20  C18   single  1.455  0.020  1.455
 C0L  C23  O24   double  1.204  0.020  1.204
 C0L  C23  C17   single  1.453  0.020  1.453
 C0L  C18  C17   single  1.468  0.020  1.468
 C0L  C18  O19   double  1.224  0.020  1.224
 C0L  C17  C16   double  1.391  0.020  1.391
 C0L  C37  C11   single  1.502  0.020  1.502
 C0L  C16  O36   single  1.311  0.020  1.311
 C0L  C16  C14   single  1.458  0.020  1.458
 C0L  C11  C10   single  1.498  0.020  1.498
 C0L  C11  C12   double  1.348  0.020  1.348
 C0L  C13  C14   double  1.350  0.020  1.350
 C0L  C13  C12   single  1.437  0.020  1.437
 C0L  C14  C15   single  1.505  0.020  1.505
 C0L  C10  C09   single  1.533  0.020  1.533
 C0L  C09  C08   single  1.529  0.020  1.529
 C0L  C08  O38   single  1.414  0.020  1.414
 C0L  C08  C06   single  1.516  0.020  1.516
 C0L  C05  C06   double  1.334  0.020  1.334
 C0L  C05  C04   single  1.502  0.020  1.502
 C0L  C06  C07   single  1.499  0.020  1.499
 C0L  C02  C01   single  1.494  0.020  1.494
 C0L  C02  C03   double  1.330  0.020  1.330
 C0L  C04  C03   single  1.502  0.020  1.502
 C0L  C01  H012  single  0.970  0.020  1.090
 C0L  C01  H013  single  0.970  0.020  1.090
 C0L  C01  H011  single  0.970  0.020  1.090
 C0L  C02  H021  single  0.930  0.020  1.080
 C0L  C03  H031  single  0.930  0.020  1.080
 C0L  C04  H041  single  0.970  0.020  1.090
 C0L  C04  H042  single  0.970  0.020  1.090
 C0L  C05  H051  single  0.930  0.020  1.080
 C0L  C07  H072  single  0.970  0.020  1.090
 C0L  C07  H073  single  0.970  0.020  1.090
 C0L  C07  H071  single  0.970  0.020  1.090
 C0L  C08  H081  single  0.970  0.020  1.090
 C0L  C09  H092  single  0.970  0.020  1.090
 C0L  C09  H091  single  0.970  0.020  1.090
 C0L  C10  H101  single  0.970  0.020  1.090
 C0L  C10  H102  single  0.970  0.020  1.090
 C0L  C12  H121  single  0.930  0.020  1.080
 C0L  C13  H131  single  0.930  0.020  1.080
 C0L  C15  H152  single  0.970  0.020  1.090
 C0L  C15  H153  single  0.970  0.020  1.090
 C0L  C15  H151  single  0.970  0.020  1.090
 C0L  C20  H201  single  0.930  0.020  1.080
 C0L  C25  H251  single  0.970  0.020  1.090
 C0L  C26  H263  single  0.970  0.020  1.090
 C0L  C26  H261  single  0.970  0.020  1.090
 C0L  C26  H262  single  0.970  0.020  1.090
 C0L  C27  H271  single  0.970  0.020  1.090
 C0L  C27  H272  single  0.970  0.020  1.090
 C0L  C28  H281  single  0.970  0.020  1.090
 C0L  C28  H282  single  0.970  0.020  1.090
 C0L  C29  H291  single  0.930  0.020  1.080
 C0L  C30  H301  single  0.930  0.020  1.080
 C0L  C35  H352  single  0.970  0.020  1.090
 C0L  C35  H353  single  0.970  0.020  1.090
 C0L  C35  H351  single  0.970  0.020  1.090
 C0L  C37  H373  single  0.970  0.020  1.090
 C0L  C37  H371  single  0.970  0.020  1.090
 C0L  C37  H372  single  0.970  0.020  1.090
 C0L  O38  H381  single  0.850  0.020  0.980
 C0L  N31  H311  single  0.860  0.020  1.020
 C0L  O36  H1    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
 C0L  H011  C01  H013  107.95  3.000
 C0L  H011  C01  H012  106.48  3.000
 C0L  H013  C01  H012  108.05  3.000
 C0L  H011  C01  C02   111.39  3.000
 C0L  H013  C01  C02   111.87  3.000
 C0L  H012  C01  C02   110.87  3.000
 C0L  H021  C02  C03   118.63  3.000
 C0L  H021  C02  C01   116.30  3.000
 C0L  C03   C02  C01   125.07  3.000
 C0L  H031  C03  C04   115.73  3.000
 C0L  H031  C03  C02   119.21  3.000
 C0L  C04   C03  C02   125.03  3.000
 C0L  H042  C04  H041  106.66  3.000
 C0L  H042  C04  C05   109.48  3.000
 C0L  H041  C04  C05   111.35  3.000
 C0L  H042  C04  C03   109.51  3.000
 C0L  H041  C04  C03   109.70  3.000
 C0L  C05   C04  C03   110.07  3.000
 C0L  H051  C05  C06   117.54  3.000
 C0L  H051  C05  C04   114.22  3.000
 C0L  C06   C05  C04   128.13  3.000
 C0L  C08   C06  C07   116.22  3.000
 C0L  C07   C06  C05   124.86  3.000
 C0L  C08   C06  C05   118.86  3.000
 C0L  H071  C07  H073  107.18  3.000
 C0L  H071  C07  H072  107.21  3.000
 C0L  H073  C07  H072  106.72  3.000
 C0L  H071  C07  C06   112.72  3.000
 C0L  H073  C07  C06   111.41  3.000
 C0L  H072  C07  C06   111.28  3.000
 C0L  H081  C08  O38   105.31  3.000
 C0L  H081  C08  C09   107.77  3.000
 C0L  O38   C08  C09   112.21  3.000
 C0L  H081  C08  C06   108.26  3.000
 C0L  O38   C08  C06   112.67  3.000
 C0L  C09   C08  C06   110.30  3.000
 C0L  H091  C09  H092  106.27  3.000
 C0L  H091  C09  C10   109.01  3.000
 C0L  H092  C09  C10   109.86  3.000
 C0L  H091  C09  C08   110.34  3.000
 C0L  H092  C09  C08   107.42  3.000
 C0L  C10   C09  C08   113.68  3.000
 C0L  H102  C10  H101  107.46  3.000
 C0L  H102  C10  C11   109.24  3.000
 C0L  H101  C10  C11   110.52  3.000
 C0L  H102  C10  C09   109.00  3.000
 C0L  H101  C10  C09   110.20  3.000
 C0L  C11   C10  C09   110.35  3.000
 C0L  C37   C11  C12   123.64  3.000
 C0L  C12   C11  C10   120.62  3.000
 C0L  C37   C11  C10   115.67  3.000
 C0L  H121  C12  C13   117.95  3.000
 C0L  H121  C12  C11   118.23  3.000
 C0L  C13   C12  C11   123.75  3.000
 C0L  H131  C13  C14   117.29  3.000
 C0L  H131  C13  C12   116.87  3.000
 C0L  C14   C13  C12   125.84  3.000
 C0L  C16   C14  C15   118.29  3.000
 C0L  C15   C14  C13   124.55  3.000
 C0L  C16   C14  C13   116.95  3.000
 C0L  H151  C15  H153  106.90  3.000
 C0L  H151  C15  H152  106.95  3.000
 C0L  H153  C15  H152  107.82  3.000
 C0L  H151  C15  C14   110.66  3.000
 C0L  H153  C15  C14   111.80  3.000
 C0L  H152  C15  C14   112.43  3.000
 C0L  O36   C16  C17   118.78  3.000
 C0L  O36   C16  C14   117.27  3.000
 C0L  C17   C16  C14   123.93  3.000
 C0L  C23   C17  C18   119.90  3.000
 C0L  C18   C17  C16   121.71  3.000
 C0L  C23   C17  C16   118.37  3.000
 C0L  O19   C18  C20   121.04  3.000
 C0L  O19   C18  C17   124.28  3.000
 C0L  C20   C18  C17   114.60  3.000
 C0L  H201  C20  C21   119.58  3.000
 C0L  H201  C20  C18   118.69  3.000
 C0L  C21   C20  C18   121.72  3.000
 C0L  O22   C21  C25   112.46  3.000
 C0L  O22   C21  C20   121.95  3.000
 C0L  C25   C21  C20   125.58  3.000
 C0L  O24   C23  O22   115.17  3.000
 C0L  O24   C23  C17   127.88  3.000
 C0L  O22   C23  C17   116.88  3.000
 C0L  H251  C25  C27   108.27  3.000
 C0L  H251  C25  C26   108.56  3.000
 C0L  C27   C25  C26   112.47  3.000
 C0L  H251  C25  C21   106.25  3.000
 C0L  C27   C25  C21   110.03  3.000
 C0L  C26   C25  C21   111.03  3.000
 C0L  H262  C26  H261  107.65  3.000
 C0L  H262  C26  H263  108.33  3.000
 C0L  H261  C26  H263  107.32  3.000
 C0L  H262  C26  C25   111.54  3.000
 C0L  H261  C26  C25   110.44  3.000
 C0L  H263  C26  C25   111.38  3.000
 C0L  H272  C27  H271  106.74  3.000
 C0L  H272  C27  C28   109.03  3.000
 C0L  H271  C27  C28   108.72  3.000
 C0L  H272  C27  C25   109.93  3.000
 C0L  H271  C27  C25   108.91  3.000
 C0L  C28   C27  C25   113.29  3.000
 C0L  H282  C28  H281  106.51  3.000
 C0L  H282  C28  C29   109.77  3.000
 C0L  H281  C28  C29   109.49  3.000
 C0L  H282  C28  C27   108.85  3.000
 C0L  H281  C28  C27   110.45  3.000
 C0L  C29   C28  C27   111.64  3.000
 C0L  H291  C29  C30   119.86  3.000
 C0L  H291  C29  C28   117.05  3.000
 C0L  C30   C29  C28   123.07  3.000
 C0L  H301  C30  N31   114.51  3.000
 C0L  H301  C30  C29   121.23  3.000
 C0L  N31   C30  C29   124.26  3.000
 C0L  O34   C32  O33   124.54  3.000
 C0L  O34   C32  N31   110.44  3.000
 C0L  O33   C32  N31   125.02  3.000
 C0L  H351  C35  H353  109.26  3.000
 C0L  H351  C35  H352  109.20  3.000
 C0L  H353  C35  H352  109.16  3.000
 C0L  H351  C35  O34   111.58  3.000
 C0L  H353  C35  O34   111.76  3.000
 C0L  H352  C35  O34   105.78  3.000
 C0L  H372  C37  H371  107.65  3.000
 C0L  H372  C37  H373  106.94  3.000
 C0L  H371  C37  H373  107.35  3.000
 C0L  H372  C37  C11   110.46  3.000
 C0L  H371  C37  C11   112.97  3.000
 C0L  H373  C37  C11   111.20  3.000
 C0L  H311  N31  C32   118.41  3.000
 C0L  H311  N31  C30   118.48  3.000
 C0L  C32   N31  C30   123.06  3.000
 C0L  C23   O22  C21   123.57  3.000
 C0L  C35   O34  C32   116.86  3.000
 C0L  H1    O36  C16   111.46  3.000
 C0L  H381  O38  C08   108.90  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
 C0L  Var_01  C21   C20  C18  C17     5.14  30.0  1
 C0L  Var_02  O22   C21  C20  C18     2.46  30.0  1
 C0L  Var_03  O22   C23  C17  C18    13.16  30.0  1
 C0L  Var_04  C23   C17  C18  C20   -12.82  30.0  1
 C0L  Var_05  C17   C16  C14  C13    47.13  30.0  2
 C0L  Var_06  C04   C03  C02  C01  -178.96   0.0  2
 C0L  Var_07  C08   C06  C05  C04  -173.36   0.0  2
 C0L  Var_08  C13   C12  C11  C10  -172.65   0.0  2
 C0L  Var_09  C16   C14  C13  C12   179.14   0.0  2
 C0L  Var_10  N31   C30  C29  C28  -179.00   0.0  2
 C0L  Var_11  C05   C04  C03  C02   111.60  30.0  2
 C0L  Var_12  C06   C05  C04  C03   103.09  30.0  1
 C0L  Var_13  C11   C10  C09  C08   172.00  30.0  1
 C0L  Var_14  C14   C13  C12  C11  -179.54  30.0  3
 C0L  Var_15  C29   C28  C27  C25   175.45  30.0  1
 C0L  Var_16  C30   C29  C28  C27   115.56  30.0  3
 C0L  Var_17  C32   N31  C30  C29  -176.50  30.0  2
 C0L  Var_18  O33   C32  N31  C30    -1.38  30.0  1
 C0L  Var_19  H012  C01  C02  C03  -120.58  30.0  3
 C0L  Var_20  H072  C07  C06  C05   118.79  30.0  3
 C0L  Var_21  H373  C37  C11  C10    92.09  30.0  3
 C0L  Var_22  H152  C15  C14  C13    77.84  30.0  3
 C0L  Var_23  H352  C35  O34  C32  -179.35  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
 C0L  chir_01  C08  C09  O38  C06  negativ
 C0L  chir_02  C25  C26  C27  C21  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
 C0L  plan-1  C01   0.020
 C0L  plan-1  C02   0.020
 C0L  plan-1  C03   0.020
 C0L  plan-1  C04   0.020
 C0L  plan-1  H021  0.020
 C0L  plan-1  H031  0.020
 C0L  plan-2  C17   0.020
 C0L  plan-2  C18   0.020
 C0L  plan-2  C20   0.020
 C0L  plan-2  O19   0.020
 C0L  plan-3  C17   0.020
 C0L  plan-3  C23   0.020
 C0L  plan-3  O22   0.020
 C0L  plan-3  O24   0.020
 C0L  plan-4  C32   0.020
 C0L  plan-4  N31   0.020
 C0L  plan-4  O33   0.020
 C0L  plan-4  O34   0.020
 C0L  plan-5  C28   0.020
 C0L  plan-5  C29   0.020
 C0L  plan-5  C30   0.020
 C0L  plan-5  N31   0.020
 C0L  plan-5  H291  0.020
 C0L  plan-5  H301  0.020
 C0L  plan-6  C10   0.020
 C0L  plan-6  C11   0.020
 C0L  plan-6  C12   0.020
 C0L  plan-6  C13   0.020
 C0L  plan-6  C37   0.020
 C0L  plan-6  H121  0.020
 C0L  plan-7  C12   0.020
 C0L  plan-7  C13   0.020
 C0L  plan-7  C14   0.020
 C0L  plan-7  C15   0.020
 C0L  plan-7  C16   0.020
 C0L  plan-7  H131  0.020
 C0L  plan-8  C04   0.020
 C0L  plan-8  C05   0.020
 C0L  plan-8  C06   0.020
 C0L  plan-8  C07   0.020
 C0L  plan-8  C08   0.020
 C0L  plan-8  H051  0.020

