# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May 16 01:55:20 2020
#   Inital geometry file: a 149 line input string
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)(F)CN1[C@@H]2CCC[C@]1(c3[nH]c4ccccc4c3C2)c5c(F)cc(/C=C/C(O)=O)cc5F
#
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
 LRQ  LRQ  'None                     '  ligand  61  34  .  2021-08-12  2023-02-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_LRQ
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
 LRQ  C1   C  CH3   0  -0.700   0.3816   2.6690  -2.1617
 LRQ  C2   C  CT    0   0.370  -0.4702   3.5489  -1.2748
 LRQ  C3   C  CH3   0  -0.698   0.2158   4.8636  -0.9502
 LRQ  C8   C  CH2   0  -0.429  -3.6671   1.8971   1.0160
 LRQ  C9   C  CH2   0  -0.453  -3.1926   1.0185   2.1730
 LRQ  C10  C  CH2   0  -0.425  -1.6677   0.9247   2.2275
 LRQ  C11  C  CT    0   0.034  -1.1123   0.5411   0.8338
 LRQ  C12  C  CR5   0   0.332  -1.7869  -0.7459   0.4456
 LRQ  C13  C  CR5   0   0.019  -2.8659  -0.8517  -0.3708
 LRQ  C14  C  CR56  0   0.033  -3.2350  -2.2321  -0.3845
 LRQ  C15  C  CR16  0  -0.378  -4.2421  -2.9666  -1.0193
 LRQ  C16  C  CR16  0  -0.271  -4.3154  -4.3302  -0.8025
 LRQ  C19  C  CR56  0   0.316  -2.3247  -2.9051   0.4655
 LRQ  C21  C  CH2   0  -0.491  -3.4614   0.3446  -1.0225
 LRQ  C22  C  CR6   0  -0.346   0.4015   0.3257   0.7494
 LRQ  C24  C  CR16  0  -0.482   2.7076   0.4427   1.5657
 LRQ  C27  C  CR6   0   0.651   0.9527  -0.2483  -0.4051
 LRQ  C30  C  C1    0  -0.410   5.2744  -0.8514  -0.7755
 LRQ  C31  C  C     0   0.541   6.7415  -0.9901  -0.7695
 LRQ  F35  F  F     0  -0.394  -1.6349   3.8704  -2.0125
 LRQ  C4   C  CH2   0  -0.322  -0.9015   2.8570   0.0192
 LRQ  N5   N  NT    0  -0.421  -1.5037   1.5488  -0.1677
 LRQ  N20  N  NR15  0  -0.754  -1.4607  -1.9696   0.9641
 LRQ  C18  C  CR16  0  -0.314  -2.3943  -4.2782   0.6844
 LRQ  C17  C  CR16  0  -0.289  -3.3991  -4.9787   0.0405
 LRQ  C6   C  CH1   0  -0.152  -2.9652   1.6110  -0.3211
 LRQ  F28  F  F     0  -0.293   0.1345  -0.6117  -1.3939
 LRQ  C26  C  CR16  0  -0.500   2.2935  -0.4786  -0.6006
 LRQ  C25  C  CR6   0   0.183   3.2000  -0.1263   0.3989
 LRQ  C23  C  CR6   0   0.561   1.3485   0.6521   1.7145
 LRQ  F34  F  F     0  -0.301   0.9740   1.2195   2.8676
 LRQ  C29  C  C1    0  -0.215   4.6402  -0.3242   0.2750
 LRQ  O32  O  O     0  -0.444   7.4694  -0.6644   0.1392
 LRQ  O33  O  OH1   0  -0.600   7.1815  -1.5253  -1.9026
 LRQ  H1   H  HCH3  0   0.253  -0.1511   1.7605  -2.4332
 LRQ  H2   H  HCH3  0   0.239   0.6682   3.1987  -3.0712
 LRQ  H3   H  HCH3  0   0.219   1.2962   2.3826  -1.6416
 LRQ  H4   H  HCH3  0   0.244   0.4508   5.4127  -1.8628
 LRQ  H5   H  HCH3  0   0.239  -0.4104   5.4963  -0.3189
 LRQ  H6   H  HCH3  0   0.232   1.1532   4.6858  -0.4227
 LRQ  H7   H  HCH2  0   0.233  -4.7484   1.8044   0.8874
 LRQ  H8   H  HCH2  0   0.227  -3.4886   2.9437   1.2829
 LRQ  H9   H  HCH2  0   0.238  -3.5502   1.4380   3.1161
 LRQ  H10  H  HCH2  0   0.234  -3.6269   0.0199   2.1021
 LRQ  H11  H  HCH2  0   0.242  -1.2611   1.8891   2.5346
 LRQ  H12  H  HCH2  0   0.240  -1.3728   0.1919   2.9814
 LRQ  H13  H  HCR6  0   0.238  -4.9557  -2.4739  -1.6692
 LRQ  H14  H  HCR6  0   0.243  -5.0901  -4.9104  -1.2872
 LRQ  H15  H  HCH2  0   0.236  -3.1845   0.3908  -2.0809
 LRQ  H16  H  HCH2  0   0.228  -4.5540   0.3144  -0.9903
 LRQ  H17  H  HCR6  0   0.287   3.3751   0.7325   2.3672
 LRQ  H18  H  H     0   0.289   4.7461  -1.1919  -1.6573
 LRQ  H19  H  HCH2  0   0.243  -0.0013   2.7746   0.6319
 LRQ  H20  H  HCH2  0   0.239  -1.5553   3.5479   0.5694
 LRQ  H22  H  HNR5  0   0.400  -0.6869  -2.1634   1.5782
 LRQ  H23  H  HCR6  0   0.255  -1.6915  -4.7821   1.3362
 LRQ  H24  H  HCR6  0   0.246  -3.4819  -6.0471   0.1933
 LRQ  H25  H  HCH1  0   0.253  -3.1749   2.4448  -0.9884
 LRQ  H26  H  HCR6  0   0.282   2.6151  -0.9283  -1.5307
 LRQ  H27  H  H     0   0.278   5.2272  -0.0019   1.1288
 LRQ  H28  H  HOH1  0   0.483   8.1465  -1.6074  -1.8786

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
 LRQ  O32  C31  double    1.209  0.020  1.209
 LRQ  O33  C31  single    1.328  0.020  1.328
 LRQ  C31  C30  single    1.474  0.020  1.474
 LRQ  C30  C29  double    1.336  0.020  1.336
 LRQ  C29  C25  single    1.459  0.020  1.459
 LRQ  C25  C24  aromatic  1.388  0.020  1.388
 LRQ  C25  C26  aromatic  1.395  0.020  1.395
 LRQ  C24  C23  aromatic  1.383  0.020  1.383
 LRQ  C26  C27  aromatic  1.374  0.020  1.374
 LRQ  C23  F34  single    1.339  0.020  1.339
 LRQ  C23  C22  aromatic  1.391  0.020  1.391
 LRQ  C3   C2   single    1.518  0.020  1.518
 LRQ  C27  C22  aromatic  1.402  0.020  1.402
 LRQ  C27  F28  single    1.334  0.020  1.334
 LRQ  C1   C2   single    1.512  0.020  1.512
 LRQ  C22  C11  single    1.531  0.020  1.531
 LRQ  C2   C4   single    1.530  0.020  1.530
 LRQ  C2   F35  single    1.416  0.020  1.416
 LRQ  C4   N5   single    1.452  0.020  1.452
 LRQ  C11  N5   single    1.474  0.020  1.474
 LRQ  C11  C10  single    1.549  0.020  1.549
 LRQ  C11  C12  single    1.504  0.020  1.504
 LRQ  N5   C6   single    1.471  0.020  1.471
 LRQ  N20  C12  aromatic  1.368  0.020  1.368
 LRQ  N20  C19  aromatic  1.368  0.020  1.368
 LRQ  C10  C9   single    1.529  0.020  1.529
 LRQ  C12  C13  aromatic  1.357  0.020  1.357
 LRQ  C19  C18  aromatic  1.392  0.020  1.392
 LRQ  C19  C14  aromatic  1.416  0.020  1.416
 LRQ  C6   C21  single    1.530  0.020  1.530
 LRQ  C6   C8   single    1.537  0.020  1.537
 LRQ  C13  C21  single    1.487  0.020  1.487
 LRQ  C13  C14  aromatic  1.429  0.020  1.429
 LRQ  C18  C17  aromatic  1.384  0.020  1.384
 LRQ  C14  C15  aromatic  1.399  0.020  1.399
 LRQ  C9   C8   single    1.528  0.020  1.528
 LRQ  C17  C16  aromatic  1.404  0.020  1.404
 LRQ  C15  C16  aromatic  1.383  0.020  1.383
 LRQ  C1   H1   single    0.970  0.020  1.090
 LRQ  C1   H2   single    0.970  0.020  1.090
 LRQ  C1   H3   single    0.970  0.020  1.090
 LRQ  C3   H4   single    0.970  0.020  1.090
 LRQ  C3   H5   single    0.970  0.020  1.090
 LRQ  C3   H6   single    0.970  0.020  1.090
 LRQ  C8   H7   single    0.970  0.020  1.090
 LRQ  C8   H8   single    0.970  0.020  1.090
 LRQ  C9   H9   single    0.970  0.020  1.090
 LRQ  C9   H10  single    0.970  0.020  1.090
 LRQ  C10  H11  single    0.970  0.020  1.090
 LRQ  C10  H12  single    0.970  0.020  1.090
 LRQ  C15  H13  single    0.930  0.020  1.080
 LRQ  C16  H14  single    0.930  0.020  1.080
 LRQ  C21  H15  single    0.970  0.020  1.090
 LRQ  C21  H16  single    0.970  0.020  1.090
 LRQ  C24  H17  single    0.930  0.020  1.080
 LRQ  C30  H18  single    0.930  0.020  1.080
 LRQ  C4   H19  single    0.970  0.020  1.090
 LRQ  C4   H20  single    0.970  0.020  1.090
 LRQ  N20  H22  single    0.860  0.020  1.020
 LRQ  C18  H23  single    0.930  0.020  1.080
 LRQ  C17  H24  single    0.930  0.020  1.080
 LRQ  C6   H25  single    0.970  0.020  1.090
 LRQ  C26  H26  single    0.930  0.020  1.080
 LRQ  C29  H27  single    0.930  0.020  1.080
 LRQ  O33  H28  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
 LRQ  H3   C1   H2   107.75  3.000
 LRQ  H3   C1   H1   108.09  3.000
 LRQ  H2   C1   H1   109.04  3.000
 LRQ  H3   C1   C2   110.22  3.000
 LRQ  H2   C1   C2   110.76  3.000
 LRQ  H1   C1   C2   110.89  3.000
 LRQ  C4   C2   F35  108.16  3.000
 LRQ  F35  C2   C3   106.65  3.000
 LRQ  C4   C2   C3   109.77  3.000
 LRQ  F35  C2   C1   106.86  3.000
 LRQ  C4   C2   C1   113.07  3.000
 LRQ  C3   C2   C1   112.01  3.000
 LRQ  H6   C3   H5   107.94  3.000
 LRQ  H6   C3   H4   107.56  3.000
 LRQ  H5   C3   H4   108.41  3.000
 LRQ  H6   C3   C2   110.54  3.000
 LRQ  H5   C3   C2   111.50  3.000
 LRQ  H4   C3   C2   110.76  3.000
 LRQ  H8   C8   H7   105.73  3.000
 LRQ  H8   C8   C6   108.39  3.000
 LRQ  H7   C8   C6   109.49  3.000
 LRQ  H8   C8   C9   108.33  3.000
 LRQ  H7   C8   C9   110.34  3.000
 LRQ  C6   C8   C9   114.19  3.000
 LRQ  H10  C9   H9   106.09  3.000
 LRQ  H10  C9   C10  110.07  3.000
 LRQ  H9   C9   C10  108.62  3.000
 LRQ  H10  C9   C8   110.69  3.000
 LRQ  H9   C9   C8   109.34  3.000
 LRQ  C10  C9   C8   111.84  3.000
 LRQ  H12  C10  H11  107.36  3.000
 LRQ  H12  C10  C11  110.99  3.000
 LRQ  H11  C10  C11  109.80  3.000
 LRQ  H12  C10  C9   109.58  3.000
 LRQ  H11  C10  C9   109.13  3.000
 LRQ  C11  C10  C9   109.93  3.000
 LRQ  N5   C11  C22  108.74  3.000
 LRQ  N5   C11  C12  106.89  3.000
 LRQ  C22  C11  C12  107.99  3.000
 LRQ  C12  C11  C10  106.47  3.000
 LRQ  N5   C11  C10  110.30  3.000
 LRQ  C22  C11  C10  116.04  3.000
 LRQ  N20  C12  C13  110.35  3.000
 LRQ  C13  C12  C11  125.35  3.000
 LRQ  N20  C12  C11  124.09  3.000
 LRQ  C21  C13  C14  132.04  3.000
 LRQ  C14  C13  C12  106.64  3.000
 LRQ  C21  C13  C12  121.29  3.000
 LRQ  C19  C14  C15  119.07  3.000
 LRQ  C15  C14  C13  134.23  3.000
 LRQ  C19  C14  C13  106.70  3.000
 LRQ  H13  C15  C16  120.50  3.000
 LRQ  H13  C15  C14  120.50  3.000
 LRQ  C16  C15  C14  119.00  3.000
 LRQ  H14  C16  C17  119.24  3.000
 LRQ  H14  C16  C15  119.75  3.000
 LRQ  C17  C16  C15  121.01  3.000
 LRQ  C18  C19  N20  130.46  3.000
 LRQ  C18  C19  C14  122.08  3.000
 LRQ  N20  C19  C14  107.46  3.000
 LRQ  H16  C21  H15  106.40  3.000
 LRQ  H16  C21  C6   109.47  3.000
 LRQ  H15  C21  C6   109.04  3.000
 LRQ  H16  C21  C13  111.41  3.000
 LRQ  H15  C21  C13  110.87  3.000
 LRQ  C6   C21  C13  109.58  3.000
 LRQ  C23  C22  C27  113.56  3.000
 LRQ  C27  C22  C11  119.44  3.000
 LRQ  C23  C22  C11  127.00  3.000
 LRQ  H17  C24  C23  119.06  3.000
 LRQ  H17  C24  C25  120.87  3.000
 LRQ  C23  C24  C25  120.06  3.000
 LRQ  C26  C27  F28  116.58  3.000
 LRQ  F28  C27  C22  118.73  3.000
 LRQ  C26  C27  C22  124.69  3.000
 LRQ  H18  C30  C29  122.20  3.000
 LRQ  H18  C30  C31  117.36  3.000
 LRQ  C29  C30  C31  120.44  3.000
 LRQ  O33  C31  O32  123.39  3.000
 LRQ  O33  C31  C30  111.36  3.000
 LRQ  O32  C31  C30  125.25  3.000
 LRQ  H20  C4   H19  104.90  3.000
 LRQ  H20  C4   N5   112.59  3.000
 LRQ  H19  C4   N5   110.24  3.000
 LRQ  H20  C4   C2   107.88  3.000
 LRQ  H19  C4   C2   106.04  3.000
 LRQ  N5   C4   C2   114.55  3.000
 LRQ  C6   N5   C4   112.79  3.000
 LRQ  C6   N5   C11  111.32  3.000
 LRQ  C4   N5   C11  114.73  3.000
 LRQ  H22  N20  C19  125.19  3.000
 LRQ  H22  N20  C12  125.91  3.000
 LRQ  C19  N20  C12  108.84  3.000
 LRQ  H23  C18  C17  121.05  3.000
 LRQ  H23  C18  C19  121.41  3.000
 LRQ  C17  C18  C19  117.54  3.000
 LRQ  H24  C17  C18  119.31  3.000
 LRQ  H24  C17  C16  119.39  3.000
 LRQ  C18  C17  C16  121.30  3.000
 LRQ  H25  C6   N5   106.72  3.000
 LRQ  H25  C6   C21  106.89  3.000
 LRQ  N5   C6   C21  109.57  3.000
 LRQ  H25  C6   C8   107.63  3.000
 LRQ  C21  C6   C8   113.88  3.000
 LRQ  N5   C6   C8   111.77  3.000
 LRQ  H26  C26  C25  121.86  3.000
 LRQ  H26  C26  C27  118.80  3.000
 LRQ  C25  C26  C27  119.33  3.000
 LRQ  C29  C25  C26  123.13  3.000
 LRQ  C26  C25  C24  118.38  3.000
 LRQ  C29  C25  C24  118.50  3.000
 LRQ  F34  C23  C24  115.58  3.000
 LRQ  F34  C23  C22  120.45  3.000
 LRQ  C24  C23  C22  123.97  3.000
 LRQ  H27  C29  C25  115.27  3.000
 LRQ  H27  C29  C30  118.64  3.000
 LRQ  C25  C29  C30  126.09  3.000
 LRQ  H28  O33  C31  110.06  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
 LRQ  CONST_01  C18  C19  N20  C12   180.00   0.0  0
 LRQ  CONST_02  C14  C19  N20  C12     0.00   0.0  0
 LRQ  CONST_03  C19  C14  C13  C12     0.00   0.0  0
 LRQ  CONST_04  C15  C14  C13  C12   180.00   0.0  0
 LRQ  CONST_05  C19  N20  C12  C13     0.00   0.0  0
 LRQ  CONST_06  N20  C19  C14  C13     0.00   0.0  0
 LRQ  CONST_07  C18  C19  C14  C13   180.00   0.0  0
 LRQ  CONST_08  C16  C15  C14  C13   180.00   0.0  0
 LRQ  CONST_09  C17  C18  C19  C14     0.00   0.0  0
 LRQ  CONST_10  N20  C12  C13  C14     0.00   0.0  0
 LRQ  CONST_11  C17  C16  C15  C14     0.00   0.0  0
 LRQ  CONST_12  N20  C19  C14  C15   180.00   0.0  0
 LRQ  CONST_13  C18  C19  C14  C15     0.00   0.0  0
 LRQ  CONST_14  C18  C17  C16  C15     0.00   0.0  0
 LRQ  CONST_15  C19  C18  C17  C16     0.00   0.0  0
 LRQ  CONST_16  C19  C14  C15  C16     0.00   0.0  0
 LRQ  CONST_17  C25  C24  C23  C22     0.00   0.0  0
 LRQ  CONST_18  C25  C26  C27  C22     0.00   0.0  0
 LRQ  CONST_19  C27  C26  C25  C24     0.00   0.0  0
 LRQ  CONST_20  C27  C22  C23  C24     0.00   0.0  0
 LRQ  CONST_21  C17  C18  C19  N20   180.00   0.0  0
 LRQ  CONST_22  C23  C24  C25  C26     0.00   0.0  0
 LRQ  CONST_23  C23  C22  C27  C26     0.00   0.0  0
 LRQ  CONST_24  C24  C23  C22  C11   180.00   0.0  0
 LRQ  CONST_25  C26  C27  C22  C11   180.00   0.0  0
 LRQ  CONST_26  F34  C23  C22  C11     0.00   0.0  0
 LRQ  CONST_27  F28  C27  C22  C11     0.00   0.0  0
 LRQ  CONST_28  C29  C25  C26  C27   180.00   0.0  0
 LRQ  CONST_29  F34  C23  C22  C27   180.00   0.0  0
 LRQ  CONST_30  C25  C26  C27  F28   180.00   0.0  0
 LRQ  CONST_31  C23  C22  C27  F28   180.00   0.0  0
 LRQ  CONST_32  F34  C23  C24  C25   180.00   0.0  0
 LRQ  CONST_33  C29  C25  C24  C23   180.00   0.0  0
 LRQ  CONST_34  H22  N20  C12  C11     0.00   0.0  0
 LRQ  CONST_35  H13  C15  C14  C13     0.00   0.0  0
 LRQ  CONST_36  H23  C18  C19  C14   180.00   0.0  0
 LRQ  CONST_37  H14  C16  C15  C14   180.00   0.0  0
 LRQ  CONST_38  H24  C17  C16  C15   180.00   0.0  0
 LRQ  CONST_39  H17  C24  C23  C22   180.00   0.0  0
 LRQ  CONST_40  H26  C26  C27  C22   180.00   0.0  0
 LRQ  CONST_41  H28  O33  C31  C30   180.00   0.0  0
 LRQ  Var_01    C11  C10  C9   C8    -50.57  30.0  3
 LRQ  Var_02    C6   C8   C9   C10    45.99  30.0  3
 LRQ  Var_03    C6   C21  C13  C12   -16.49  30.0  1
 LRQ  Var_04    C11  N5   C4   C2    140.30  30.0  3
 LRQ  Var_05    C30  C29  C25  C24  -179.81  30.0  2
 LRQ  Var_06    C25  C29  C30  C31   179.81   0.0  2
 LRQ  Var_07    N5   C4   C2   C1    -50.79  30.0  3
 LRQ  Var_08    O32  C31  C30  C29     0.39  30.0  2
 LRQ  Var_09    H4   C3   C2   C1     58.57  30.0  3
 LRQ  Var_10    H1   C1   C2   C3   -176.48  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
 LRQ  chir_01  C11  N5  C22  C12  positiv
 LRQ  chir_02  C6   N5  C8   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
 LRQ  plan-1  C11  0.020
 LRQ  plan-1  C22  0.020
 LRQ  plan-1  C24  0.020
 LRQ  plan-1  C27  0.020
 LRQ  plan-1  F28  0.020
 LRQ  plan-1  C26  0.020
 LRQ  plan-1  C25  0.020
 LRQ  plan-1  C23  0.020
 LRQ  plan-1  F34  0.020
 LRQ  plan-1  C29  0.020
 LRQ  plan-1  H17  0.020
 LRQ  plan-1  H26  0.020
 LRQ  plan-2  C11  0.020
 LRQ  plan-2  C12  0.020
 LRQ  plan-2  C13  0.020
 LRQ  plan-2  C14  0.020
 LRQ  plan-2  C15  0.020
 LRQ  plan-2  C16  0.020
 LRQ  plan-2  C19  0.020
 LRQ  plan-2  C21  0.020
 LRQ  plan-2  N20  0.020
 LRQ  plan-2  C18  0.020
 LRQ  plan-2  C17  0.020
 LRQ  plan-2  H13  0.020
 LRQ  plan-2  H14  0.020
 LRQ  plan-2  H22  0.020
 LRQ  plan-2  H23  0.020
 LRQ  plan-2  H24  0.020
 LRQ  plan-3  C30  0.020
 LRQ  plan-3  C31  0.020
 LRQ  plan-3  O32  0.020
 LRQ  plan-3  O33  0.020
 LRQ  plan-3  H28  0.020
 LRQ  plan-4  C30  0.020
 LRQ  plan-4  C31  0.020
 LRQ  plan-4  C25  0.020
 LRQ  plan-4  C29  0.020
 LRQ  plan-4  H18  0.020
 LRQ  plan-4  H27  0.020

