# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Apr  2 00:54:13 2020
#   Inital geometry file: a 145 line input string
#   Ligand name: 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(=O)N1CCC(CC1)c2nc3ccccc3nc2OC4CN(C4)c5ccc6ccccc6n5
#
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
 35D  35D  1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone  ligand  61  34  .  2022-07-22  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_35D
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
 35D  C01  C  CH3   0  -0.806   6.2977  -3.7713  -1.7852
 35D  C02  C  C     0   0.514   5.9358  -3.4194  -0.3600
 35D  O03  O  O     0  -0.510   6.7854  -3.4449   0.5232
 35D  N04  N  NT    0  -0.432   4.6474  -3.0967  -0.1089
 35D  C05  C  CH2   0  -0.318   4.2259  -2.6689   1.2127
 35D  C06  C  CH2   0  -0.414   3.8221  -1.2004   1.2018
 35D  C07  C  CH1   0  -0.340   2.7438  -0.9393   0.1410
 35D  C08  C  CH2   0  -0.404   3.2117  -1.4569  -1.2214
 35D  C09  C  CH2   0  -0.328   3.6209  -2.9206  -1.1197
 35D  C10  C  CR6   0   0.186   2.4036   0.5249   0.0984
 35D  N11  N  N     0  -0.398   3.2644   1.3490  -0.4104
 35D  C12  C  CR66  0   0.197   2.9850   2.6780  -0.4309
 35D  C13  C  CR16  0  -0.308   3.9156   3.5819  -0.9765
 35D  C14  C  CR16  0  -0.260   3.6344   4.9244  -0.9945
 35D  C15  C  CR16  0  -0.255   2.4177   5.4030  -0.4723
 35D  C16  C  CR16  0  -0.306   1.4959   4.5382   0.0627
 35D  C17  C  CR66  0   0.247   1.7675   3.1583   0.0926
 35D  N18  N  N     0  -0.458   0.8631   2.2951   0.6211
 35D  C19  C  CR6   0   0.448   1.1659   1.0400   0.6305
 35D  O20  O  O2    0  -0.468   0.3211   0.1472   1.1419
 35D  C21  C  C     0  -0.044  -0.9161   0.6314   1.6283
 35D  C22  C  C     0  -0.268  -1.9269   1.0416   0.5403
 35D  N23  N  N     0  -0.491  -2.6824  -0.1553   0.8616
 35D  C24  C  C     0  -0.284  -1.8457  -0.5361   1.9871
 35D  C25  C  CR6   0   0.484  -3.9776  -0.4213   0.6041
 35D  C26  C  CR16  0  -0.386  -4.6168  -1.5077   1.2800
 35D  C27  C  CR16  0  -0.176  -5.9144  -1.7752   0.9883
 35D  C28  C  CR66  0   0.052  -6.6044  -0.9898   0.0284
 35D  C29  C  CR16  0  -0.316  -7.9485  -1.2172  -0.3252
 35D  C30  C  CR16  0  -0.270  -8.5648  -0.4290  -1.2637
 35D  C31  C  CR16  0  -0.258  -7.8480   0.6163  -1.8763
 35D  C32  C  CR16  0  -0.307  -6.5385   0.8590  -1.5473
 35D  C33  C  CR66  0   0.213  -5.8793   0.0617  -0.5849
 35D  N34  N  N     0  -0.511  -4.5871   0.3298  -0.2853
 35D  H1   H  HCH3  0   0.268   7.3508  -4.0366  -1.8264
 35D  H2   H  HCH3  0   0.266   5.7155  -4.6159  -2.1547
 35D  H3   H  HCH3  0   0.263   6.1290  -2.9357  -2.4657
 35D  H4   H  HCH2  0   0.241   3.3752  -3.2844   1.5240
 35D  H5   H  HCH2  0   0.267   5.0298  -2.8408   1.9229
 35D  H6   H  HCH2  0   0.250   3.4560  -0.9222   2.1930
 35D  H7   H  HCH2  0   0.236   4.6981  -0.5799   0.9935
 35D  H8   H  HCH1  0   0.260   1.8530  -1.5062   0.4242
 35D  H9   H  HCH2  0   0.249   2.4103  -1.3584  -1.9569
 35D  H10  H  HCH2  0   0.235   4.0574  -0.8645  -1.5783
 35D  H11  H  HCH2  0   0.278   3.9611  -3.2846  -2.0847
 35D  H12  H  HCH2  0   0.245   2.7538  -3.5289  -0.8416
 35D  H13  H  HCR6  0   0.265   4.8456   3.1959  -1.3736
 35D  H14  H  HCR6  0   0.264   4.3489   5.6222  -1.4106
 35D  H15  H  HCR6  0   0.266   2.2092   6.4646  -0.4939
 35D  H16  H  HCR6  0   0.266   0.5586   4.8961   0.4685
 35D  H17  H  H     0   0.280  -0.7581   1.3678   2.4156
 35D  H18  H  H     0   0.246  -2.4540   1.9740   0.7557
 35D  H19  H  H     0   0.255  -1.5451   1.0799  -0.4817
 35D  H20  H  H     0   0.260  -1.4012  -1.5315   1.9152
 35D  H21  H  H     0   0.254  -2.3275  -0.4313   2.9627
 35D  H22  H  HCR6  0   0.277  -4.0720  -2.0992   2.0040
 35D  H23  H  HCR6  0   0.268  -6.4306  -2.5893   1.4821
 35D  H24  H  HCR6  0   0.256  -8.4898  -2.0242   0.1548
 35D  H25  H  HCR6  0   0.255  -9.5969  -0.6064  -1.5348
 35D  H26  H  HCR6  0   0.257  -8.3389   1.2352  -2.6166
 35D  H27  H  HCR6  0   0.251  -5.9859   1.6631  -2.0170

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
 35D  C14  C15  aromatic  1.408  0.020  1.408
 35D  C14  C13  aromatic  1.372  0.020  1.372
 35D  C15  C16  aromatic  1.373  0.020  1.373
 35D  C13  C12  aromatic  1.407  0.020  1.407
 35D  C16  C17  aromatic  1.407  0.020  1.407
 35D  C12  C17  aromatic  1.410  0.020  1.410
 35D  C12  N11  aromatic  1.358  0.020  1.358
 35D  C17  N18  aromatic  1.357  0.020  1.357
 35D  N11  C10  aromatic  1.296  0.020  1.296
 35D  N18  C19  aromatic  1.291  0.020  1.291
 35D  C10  C19  aromatic  1.442  0.020  1.442
 35D  C10  C07  single    1.504  0.020  1.504
 35D  C08  C07  single    1.531  0.020  1.531
 35D  C08  C09  single    1.523  0.020  1.523
 35D  C19  O20  single    1.331  0.020  1.331
 35D  C07  C06  single    1.535  0.020  1.535
 35D  C09  N04  single    1.451  0.020  1.451
 35D  C22  C21  single    1.541  0.020  1.541
 35D  C22  N23  single    1.451  0.020  1.451
 35D  O20  C21  single    1.415  0.020  1.415
 35D  C01  C02  single    1.512  0.020  1.512
 35D  C21  C24  single    1.535  0.020  1.535
 35D  C06  C05  single    1.523  0.020  1.523
 35D  N04  C02  single    1.352  0.020  1.352
 35D  N04  C05  single    1.452  0.020  1.452
 35D  C02  O03  double    1.226  0.020  1.226
 35D  N23  C24  single    1.453  0.020  1.453
 35D  N23  C25  single    1.347  0.020  1.347
 35D  N34  C25  aromatic  1.314  0.020  1.314
 35D  N34  C33  aromatic  1.353  0.020  1.353
 35D  C32  C33  aromatic  1.413  0.020  1.413
 35D  C32  C31  aromatic  1.372  0.020  1.372
 35D  C25  C26  aromatic  1.430  0.020  1.430
 35D  C33  C28  aromatic  1.417  0.020  1.417
 35D  C31  C30  aromatic  1.408  0.020  1.408
 35D  C26  C27  aromatic  1.357  0.020  1.357
 35D  C28  C27  aromatic  1.419  0.020  1.419
 35D  C28  C29  aromatic  1.408  0.020  1.408
 35D  C30  C29  aromatic  1.372  0.020  1.372
 35D  C01  H1   single    0.970  0.020  1.090
 35D  C01  H2   single    0.970  0.020  1.090
 35D  C01  H3   single    0.970  0.020  1.090
 35D  C05  H4   single    0.970  0.020  1.090
 35D  C05  H5   single    0.970  0.020  1.090
 35D  C06  H6   single    0.970  0.020  1.090
 35D  C06  H7   single    0.970  0.020  1.090
 35D  C07  H8   single    0.970  0.020  1.090
 35D  C08  H9   single    0.970  0.020  1.090
 35D  C08  H10  single    0.970  0.020  1.090
 35D  C09  H11  single    0.970  0.020  1.090
 35D  C09  H12  single    0.970  0.020  1.090
 35D  C13  H13  single    0.930  0.020  1.080
 35D  C14  H14  single    0.930  0.020  1.080
 35D  C15  H15  single    0.930  0.020  1.080
 35D  C16  H16  single    0.930  0.020  1.080
 35D  C21  H17  single    0.970  0.020  1.090
 35D  C22  H18  single    0.970  0.020  1.090
 35D  C22  H19  single    0.970  0.020  1.090
 35D  C24  H20  single    0.970  0.020  1.090
 35D  C24  H21  single    0.970  0.020  1.090
 35D  C26  H22  single    0.930  0.020  1.080
 35D  C27  H23  single    0.930  0.020  1.080
 35D  C29  H24  single    0.930  0.020  1.080
 35D  C30  H25  single    0.930  0.020  1.080
 35D  C31  H26  single    0.930  0.020  1.080
 35D  C32  H27  single    0.930  0.020  1.080

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
 35D  H3   C01  H2   107.43  3.000
 35D  H3   C01  H1   108.26  3.000
 35D  H2   C01  H1   108.39  3.000
 35D  H3   C01  C02  111.88  3.000
 35D  H2   C01  C02  111.83  3.000
 35D  H1   C01  C02  108.93  3.000
 35D  N04  C02  O03  122.12  3.000
 35D  O03  C02  C01  120.56  3.000
 35D  N04  C02  C01  117.31  3.000
 35D  C09  N04  C05  113.14  3.000
 35D  C05  N04  C02  121.08  3.000
 35D  C09  N04  C02  125.01  3.000
 35D  H5   C05  H4   107.46  3.000
 35D  H5   C05  C06  110.70  3.000
 35D  H4   C05  C06  109.75  3.000
 35D  H5   C05  N04  109.49  3.000
 35D  H4   C05  N04  108.58  3.000
 35D  C06  C05  N04  110.77  3.000
 35D  H7   C06  H6   107.26  3.000
 35D  H7   C06  C07  109.55  3.000
 35D  H6   C06  C07  110.38  3.000
 35D  H7   C06  C05  109.63  3.000
 35D  H6   C06  C05  109.14  3.000
 35D  C07  C06  C05  110.80  3.000
 35D  H8   C07  C10  109.14  3.000
 35D  H8   C07  C08  107.72  3.000
 35D  C10  C07  C08  111.91  3.000
 35D  H8   C07  C06  107.77  3.000
 35D  C08  C07  C06  110.05  3.000
 35D  C10  C07  C06  110.13  3.000
 35D  H10  C08  H9   107.41  3.000
 35D  H10  C08  C09  109.57  3.000
 35D  H9   C08  C09  109.19  3.000
 35D  H10  C08  C07  110.12  3.000
 35D  H9   C08  C07  110.16  3.000
 35D  C09  C08  C07  110.34  3.000
 35D  H12  C09  H11  106.71  3.000
 35D  H12  C09  C08  109.76  3.000
 35D  H11  C09  C08  110.30  3.000
 35D  H12  C09  N04  108.41  3.000
 35D  H11  C09  N04  110.89  3.000
 35D  C08  C09  N04  110.68  3.000
 35D  C19  C10  N11  119.19  3.000
 35D  C19  C10  C07  122.10  3.000
 35D  N11  C10  C07  118.69  3.000
 35D  C12  N11  C10  119.45  3.000
 35D  C17  C12  C13  119.75  3.000
 35D  C17  C12  N11  120.36  3.000
 35D  C13  C12  N11  119.89  3.000
 35D  H13  C13  C14  121.35  3.000
 35D  H13  C13  C12  118.77  3.000
 35D  C14  C13  C12  119.88  3.000
 35D  H14  C14  C15  119.61  3.000
 35D  H14  C14  C13  120.06  3.000
 35D  C15  C14  C13  120.33  3.000
 35D  H15  C15  C16  119.77  3.000
 35D  H15  C15  C14  119.51  3.000
 35D  C16  C15  C14  120.72  3.000
 35D  H16  C16  C17  118.92  3.000
 35D  H16  C16  C15  121.30  3.000
 35D  C17  C16  C15  119.78  3.000
 35D  N18  C17  C16  120.23  3.000
 35D  N18  C17  C12  120.22  3.000
 35D  C16  C17  C12  119.55  3.000
 35D  C19  N18  C17  117.70  3.000
 35D  O20  C19  N18  120.39  3.000
 35D  O20  C19  C10  116.54  3.000
 35D  N18  C19  C10  123.07  3.000
 35D  C21  O20  C19  117.23  3.000
 35D  H17  C21  C24  115.66  3.000
 35D  H17  C21  C22  115.18  3.000
 35D  C24  C21  C22   88.29  3.000
 35D  H17  C21  O20  110.67  3.000
 35D  C24  C21  O20  110.47  3.000
 35D  C22  C21  O20  114.96  3.000
 35D  H19  C22  H18  108.86  3.000
 35D  H19  C22  N23  114.72  3.000
 35D  H18  C22  N23  114.14  3.000
 35D  H19  C22  C21  116.17  3.000
 35D  H18  C22  C21  113.86  3.000
 35D  N23  C22  C21   88.03  3.000
 35D  C25  N23  C24  130.54  3.000
 35D  C25  N23  C22  128.39  3.000
 35D  C24  N23  C22   95.04  3.000
 35D  H21  C24  H20  108.99  3.000
 35D  H21  C24  N23  114.35  3.000
 35D  H20  C24  N23  114.97  3.000
 35D  H21  C24  C21  113.74  3.000
 35D  H20  C24  C21  115.55  3.000
 35D  N23  C24  C21   88.18  3.000
 35D  N34  C25  C26  123.15  3.000
 35D  C26  C25  N23  119.29  3.000
 35D  N34  C25  N23  117.55  3.000
 35D  H22  C26  C27  121.17  3.000
 35D  H22  C26  C25  120.43  3.000
 35D  C27  C26  C25  118.40  3.000
 35D  H23  C27  C28  119.51  3.000
 35D  H23  C27  C26  120.40  3.000
 35D  C28  C27  C26  120.09  3.000
 35D  C33  C28  C29  119.97  3.000
 35D  C29  C28  C27  122.99  3.000
 35D  C33  C28  C27  117.04  3.000
 35D  H24  C29  C30  120.42  3.000
 35D  H24  C29  C28  119.06  3.000
 35D  C30  C29  C28  120.52  3.000
 35D  H25  C30  C31  119.90  3.000
 35D  H25  C30  C29  120.39  3.000
 35D  C31  C30  C29  119.71  3.000
 35D  H26  C31  C32  119.71  3.000
 35D  H26  C31  C30  119.42  3.000
 35D  C32  C31  C30  120.86  3.000
 35D  H27  C32  C33  118.45  3.000
 35D  H27  C32  C31  120.96  3.000
 35D  C33  C32  C31  120.58  3.000
 35D  N34  C33  C32  118.97  3.000
 35D  C32  C33  C28  118.35  3.000
 35D  N34  C33  C28  122.67  3.000
 35D  C33  N34  C25  118.65  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
 35D  CONST_01  C13  C12  N11  C10   180.00   0.0  0
 35D  CONST_02  C17  C12  N11  C10     0.00   0.0  0
 35D  CONST_03  C17  N18  C19  C10     0.00   0.0  0
 35D  CONST_04  C14  C13  C12  N11   180.00   0.0  0
 35D  CONST_05  C16  C17  C12  N11   180.00   0.0  0
 35D  CONST_06  N18  C17  C12  N11     0.00   0.0  0
 35D  CONST_07  N18  C19  C10  N11     0.00   0.0  0
 35D  CONST_08  C15  C14  C13  C12     0.00   0.0  0
 35D  CONST_09  C15  C16  C17  C12     0.00   0.0  0
 35D  CONST_10  C19  N18  C17  C12     0.00   0.0  0
 35D  CONST_11  C19  C10  N11  C12     0.00   0.0  0
 35D  CONST_12  C16  C15  C14  C13     0.00   0.0  0
 35D  CONST_13  C16  C17  C12  C13     0.00   0.0  0
 35D  CONST_14  N18  C17  C12  C13   180.00   0.0  0
 35D  CONST_15  C17  C16  C15  C14     0.00   0.0  0
 35D  CONST_16  C17  C12  C13  C14     0.00   0.0  0
 35D  CONST_17  N18  C17  C16  C15   180.00   0.0  0
 35D  CONST_18  C19  N18  C17  C16   180.00   0.0  0
 35D  CONST_19  C32  C33  N34  C25   180.00   0.0  0
 35D  CONST_20  C28  C33  N34  C25     0.00   0.0  0
 35D  CONST_21  C28  C27  C26  C25     0.00   0.0  0
 35D  CONST_22  C33  N34  C25  C26     0.00   0.0  0
 35D  CONST_23  C33  C28  C27  C26     0.00   0.0  0
 35D  CONST_24  C29  C28  C27  C26   180.00   0.0  0
 35D  CONST_25  N34  C25  C26  C27     0.00   0.0  0
 35D  CONST_26  N34  C33  C28  C27     0.00   0.0  0
 35D  CONST_27  C32  C33  C28  C27   180.00   0.0  0
 35D  CONST_28  C30  C29  C28  C27   180.00   0.0  0
 35D  CONST_29  C31  C32  C33  C28     0.00   0.0  0
 35D  CONST_30  C31  C30  C29  C28     0.00   0.0  0
 35D  CONST_31  N34  C33  C28  C29   180.00   0.0  0
 35D  CONST_32  C32  C33  C28  C29     0.00   0.0  0
 35D  CONST_33  C32  C31  C30  C29     0.00   0.0  0
 35D  CONST_34  C33  C32  C31  C30     0.00   0.0  0
 35D  CONST_35  C33  C28  C29  C30     0.00   0.0  0
 35D  CONST_36  N34  C33  C32  C31   180.00   0.0  0
 35D  CONST_37  C12  N11  C10  C07   180.00   0.0  0
 35D  CONST_38  N18  C19  C10  C07   180.00   0.0  0
 35D  CONST_39  C33  N34  C25  N23   180.00   0.0  0
 35D  CONST_40  C27  C26  C25  N23   180.00   0.0  0
 35D  CONST_41  O20  C19  C10  C07     0.00   0.0  0
 35D  CONST_42  O20  C19  C10  N11   180.00   0.0  0
 35D  CONST_43  O20  C19  N18  C17   180.00   0.0  0
 35D  CONST_44  H13  C13  C12  N11     0.00   0.0  0
 35D  CONST_45  H14  C14  C13  C12   180.00   0.0  0
 35D  CONST_46  H16  C16  C17  C12   180.00   0.0  0
 35D  CONST_47  H15  C15  C14  C13   180.00   0.0  0
 35D  CONST_48  H22  C26  C25  N23     0.00   0.0  0
 35D  CONST_49  H23  C27  C26  C25   180.00   0.0  0
 35D  CONST_50  H24  C29  C28  C27     0.00   0.0  0
 35D  CONST_51  H27  C32  C33  C28   180.00   0.0  0
 35D  CONST_52  H25  C30  C29  C28   180.00   0.0  0
 35D  CONST_53  H26  C31  C30  C29   180.00   0.0  0
 35D  CONST_54  C09  N04  C02  C01     0.00   0.0  0
 35D  CONST_55  C05  N04  C02  C01   180.00   0.0  0
 35D  CONST_56  C09  N04  C02  O03   180.00   0.0  0
 35D  CONST_57  C05  N04  C02  O03     0.00   0.0  0
 35D  Var_01    C07  C08  C09  N04   -56.41  30.0  1
 35D  Var_02    C07  C06  C05  N04    55.02  30.0  1
 35D  Var_03    C08  C09  N04  C05    59.31  30.0  1
 35D  Var_04    C09  N04  C05  C06   -58.53  30.0  1
 35D  Var_05    C24  N23  C22  C21     5.22  30.0  1
 35D  Var_06    N34  C25  N23  C22    16.31  30.0  2
 35D  Var_07    H1   C01  C02  N04  -178.22  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
 35D  chir_01  C07  C10  C08  C06  negativ
 35D  chir_02  C21  O20  C24  C22  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
 35D  plan-1  C07  0.020
 35D  plan-1  C10  0.020
 35D  plan-1  N11  0.020
 35D  plan-1  C12  0.020
 35D  plan-1  C13  0.020
 35D  plan-1  C14  0.020
 35D  plan-1  C15  0.020
 35D  plan-1  C16  0.020
 35D  plan-1  C17  0.020
 35D  plan-1  N18  0.020
 35D  plan-1  C19  0.020
 35D  plan-1  O20  0.020
 35D  plan-1  H13  0.020
 35D  plan-1  H14  0.020
 35D  plan-1  H15  0.020
 35D  plan-1  H16  0.020
 35D  plan-2  N23  0.020
 35D  plan-2  C25  0.020
 35D  plan-2  C26  0.020
 35D  plan-2  C27  0.020
 35D  plan-2  C28  0.020
 35D  plan-2  C29  0.020
 35D  plan-2  C30  0.020
 35D  plan-2  C31  0.020
 35D  plan-2  C32  0.020
 35D  plan-2  C33  0.020
 35D  plan-2  N34  0.020
 35D  plan-2  H22  0.020
 35D  plan-2  H23  0.020
 35D  plan-2  H24  0.020
 35D  plan-2  H25  0.020
 35D  plan-2  H26  0.020
 35D  plan-2  H27  0.020
 35D  plan-3  C01  0.020
 35D  plan-3  C02  0.020
 35D  plan-3  O03  0.020
 35D  plan-3  N04  0.020
 35D  plan-3  C05  0.020
 35D  plan-3  C09  0.020

