# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr  8 02:49:39 2020
#   Inital geometry file: a 149 line input string
#   Ligand name: ~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc(OC)cc(c1)N(CCNC(C)C)c2ccc3ncc(nc3c2)c4cnn(C)c4
#
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
 5SF  5SF  ~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine  ligand  63  33  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_5SF
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
 5SF  C1   C  CH1   0  -0.090   2.7888   5.2067   0.0506
 5SF  C2   C  CH3   0  -0.659   3.5609   6.3647   0.6683
 5SF  C3   C  CH2   0  -0.268   2.1726   2.8735   0.5055
 5SF  C7   C  CR16  0  -0.296  -1.1870   0.4840   3.1524
 5SF  C8   C  CR66  0   0.207  -2.1646   0.1168   2.2080
 5SF  C9   C  CR66  0   0.262  -1.7716  -0.1365   0.8734
 5SF  C10  C  CR16  0  -0.387  -0.4205  -0.0001   0.5067
 5SF  C11  C  CR6   0   0.159  -3.9327  -0.5972   0.3112
 5SF  C12  C  CR16  0  -0.129  -4.3158  -0.3412   1.6630
 5SF  C13  C  CR5   0  -0.170  -4.9172  -0.9869  -0.6800
 5SF  C14  C  CR15  0  -0.055  -4.6897  -1.2896  -2.0383
 5SF  C15  C  CR15  0   0.027  -6.2839  -1.1549  -0.5308
 5SF  C19  C  CR6   0   0.437   2.7269  -2.7170  -0.5412
 5SF  C20  C  CR16  0  -0.566   3.8188  -2.3609  -1.3349
 5SF  C21  C  CR6   0   0.445   4.2407  -1.0350  -1.3093
 5SF  C22  C  CR16  0  -0.489   3.5896  -0.0811  -0.5307
 5SF  C24  C  CH3   0  -0.438   2.8780  -4.9917  -1.2228
 5SF  O1   O  O2    0  -0.477   2.2399  -3.9717  -0.4815
 5SF  C18  C  CR16  0  -0.453   2.0818  -1.7853   0.2597
 5SF  O    O  O2    0  -0.476   5.2804  -0.5762  -2.0319
 5SF  C23  C  CH3   0  -0.438   5.9946  -1.4783  -2.8531
 5SF  C17  C  CR6   0   0.398   2.5045  -0.4515   0.2654
 5SF  N1   N  NT    0  -0.615   1.8837   0.4691   1.1045
 5SF  C4   C  CH2   0  -0.356   2.5371   1.7234   1.4411
 5SF  N    N  NH1   0  -0.593   2.7757   4.0958   0.9946
 5SF  C    C  CH3   0  -0.667   1.4016   5.6618  -0.4024
 5SF  C5   C  CR6   0   0.319   0.5279   0.3435   1.4440
 5SF  N2   N  N     0  -0.434  -2.6821  -0.4915  -0.0614
 5SF  N5   N  NR5   0  -0.269  -6.7617  -1.5217  -1.7248
 5SF  N4   N  N     0  -0.271  -5.8081  -1.6097  -2.6520
 5SF  N3   N  N     0  -0.382  -3.4619   0.0041   2.5776
 5SF  C6   C  CR16  0  -0.311   0.1247   0.5863   2.7824
 5SF  H3   H  HCH1  0   0.218   3.3385   4.8604  -0.8322
 5SF  H4   H  HCH3  0   0.229   4.5708   6.0612   0.9453
 5SF  H5   H  HCH3  0   0.225   3.6355   7.2017  -0.0265
 5SF  H6   H  HCH3  0   0.216   3.0575   6.7263   1.5684
 5SF  H9   H  HCH2  0   0.227   2.5591   2.6748  -0.4980
 5SF  H8   H  HCH2  0   0.207   1.0786   2.9233   0.4069
 5SF  H13  H  HCR6  0   0.270  -1.4891   0.6633   4.1762
 5SF  H14  H  HCR6  0   0.273  -0.1453  -0.1853  -0.5239
 5SF  H15  H  HCR6  0   0.264  -5.3545  -0.4308   1.9627
 5SF  H16  H  HCR5  0   0.264  -3.7513  -1.2830  -2.5708
 5SF  H17  H  HCR5  0   0.298  -6.9334  -1.0418   0.3223
 5SF  H19  H  HCH3  0   0.265  -8.4653  -1.1892  -2.8803
 5SF  H20  H  HCH3  0   0.265  -8.2236  -2.8693  -2.3628
 5SF  H18  H  HCH3  0   0.262  -8.7584  -1.6493  -1.1969
 5SF  H22  H  HCR6  0   0.297   4.3209  -3.0923  -1.9497
 5SF  H23  H  HCR6  0   0.263   3.9419   0.9399  -0.5747
 5SF  H28  H  HCH3  0   0.261   2.3319  -5.9091  -1.0165
 5SF  H27  H  HCH3  0   0.228   2.8459  -4.8002  -2.2986
 5SF  H29  H  HCH3  0   0.228   3.9195  -5.1280  -0.9200
 5SF  H21  H  HCR6  0   0.267   1.2612  -2.1142   0.8830
 5SF  H24  H  HCH3  0   0.261   6.7915  -0.9048  -3.3198
 5SF  H25  H  HCH3  0   0.229   6.4392  -2.2926  -2.2753
 5SF  H26  H  HCH3  0   0.228   5.3645  -1.9059  -3.6376
 5SF  H11  H  HCH2  0   0.256   3.6164   1.5738   1.4556
 5SF  H10  H  HCH2  0   0.262   2.2638   1.9976   2.4621
 5SF  H7   H  HNH1  0   0.336   2.2971   4.3883   1.8405
 5SF  H    H  HCH3  0   0.213   0.8210   6.0305   0.4475
 5SF  H2   H  HCH3  0   0.225   1.4746   6.4698  -1.1317
 5SF  H1   H  HCH3  0   0.231   0.8383   4.8514  -0.8665
 5SF  H12  H  HCR6  0   0.277   0.8675   0.8371   3.5281
 5SF  C16  C  CH3   0  -0.507  -8.1312  -1.8268  -2.0650

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
 5SF  N4   N5   aromatic  1.333  0.020  1.333
 5SF  N4   C14  aromatic  1.315  0.020  1.315
 5SF  C16  N5   single    1.444  0.020  1.444
 5SF  N5   C15  aromatic  1.337  0.020  1.337
 5SF  C14  C13  aromatic  1.410  0.020  1.410
 5SF  C15  C13  aromatic  1.385  0.020  1.385
 5SF  C13  C11  single    1.450  0.020  1.450
 5SF  C12  C11  aromatic  1.428  0.020  1.428
 5SF  C12  N3   aromatic  1.298  0.020  1.298
 5SF  C11  N2   aromatic  1.309  0.020  1.309
 5SF  N3   C8   aromatic  1.354  0.020  1.354
 5SF  N2   C9   aromatic  1.352  0.020  1.352
 5SF  C8   C9   aromatic  1.414  0.020  1.414
 5SF  C8   C7   aromatic  1.408  0.020  1.408
 5SF  C9   C10  aromatic  1.407  0.020  1.407
 5SF  C7   C6   aromatic  1.367  0.020  1.367
 5SF  C10  C5   aromatic  1.377  0.020  1.377
 5SF  C6   C5   aromatic  1.419  0.020  1.419
 5SF  C5   N1   single    1.403  0.020  1.403
 5SF  N1   C4   single    1.454  0.020  1.454
 5SF  N1   C17  single    1.392  0.020  1.392
 5SF  C4   C3   single    1.527  0.020  1.527
 5SF  C3   N    single    1.448  0.020  1.448
 5SF  C1   N    single    1.458  0.020  1.458
 5SF  C1   C2   single    1.523  0.020  1.523
 5SF  C1   C    single    1.529  0.020  1.529
 5SF  C17  C18  aromatic  1.399  0.020  1.399
 5SF  C17  C22  aromatic  1.396  0.020  1.396
 5SF  C18  C19  aromatic  1.388  0.020  1.388
 5SF  C22  C21  aromatic  1.393  0.020  1.393
 5SF  C19  O1   single    1.347  0.020  1.347
 5SF  C19  C20  aromatic  1.396  0.020  1.396
 5SF  O1   C24  single    1.413  0.020  1.413
 5SF  C21  C20  aromatic  1.392  0.020  1.392
 5SF  C21  O    single    1.347  0.020  1.347
 5SF  O    C23  single    1.414  0.020  1.414
 5SF  C1   H3   single    0.970  0.020  1.090
 5SF  C2   H4   single    0.970  0.020  1.090
 5SF  C2   H5   single    0.970  0.020  1.090
 5SF  C2   H6   single    0.970  0.020  1.090
 5SF  C3   H9   single    0.970  0.020  1.090
 5SF  C3   H8   single    0.970  0.020  1.090
 5SF  C7   H13  single    0.930  0.020  1.080
 5SF  C10  H14  single    0.930  0.020  1.080
 5SF  C12  H15  single    0.930  0.020  1.080
 5SF  C14  H16  single    0.930  0.020  1.080
 5SF  C15  H17  single    0.930  0.020  1.080
 5SF  C16  H19  single    0.970  0.020  1.090
 5SF  C16  H20  single    0.970  0.020  1.090
 5SF  C16  H18  single    0.970  0.020  1.090
 5SF  C20  H22  single    0.930  0.020  1.080
 5SF  C22  H23  single    0.930  0.020  1.080
 5SF  C24  H28  single    0.970  0.020  1.090
 5SF  C24  H27  single    0.970  0.020  1.090
 5SF  C24  H29  single    0.970  0.020  1.090
 5SF  C18  H21  single    0.930  0.020  1.080
 5SF  C23  H24  single    0.970  0.020  1.090
 5SF  C23  H25  single    0.970  0.020  1.090
 5SF  C23  H26  single    0.970  0.020  1.090
 5SF  C4   H11  single    0.970  0.020  1.090
 5SF  C4   H10  single    0.970  0.020  1.090
 5SF  N    H7   single    0.890  0.020  1.040
 5SF  C    H    single    0.970  0.020  1.090
 5SF  C    H2   single    0.970  0.020  1.090
 5SF  C    H1   single    0.970  0.020  1.090
 5SF  C6   H12  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
 5SF  H3   C1   C    108.08  3.000
 5SF  H3   C1   N    106.58  3.000
 5SF  C    C1   N    114.24  3.000
 5SF  H3   C1   C2   108.22  3.000
 5SF  C    C1   C2   110.72  3.000
 5SF  N    C1   C2   108.75  3.000
 5SF  H6   C2   H5   107.60  3.000
 5SF  H6   C2   H4   108.03  3.000
 5SF  H5   C2   H4   108.19  3.000
 5SF  H6   C2   C1   110.62  3.000
 5SF  H5   C2   C1   111.10  3.000
 5SF  H4   C2   C1   111.16  3.000
 5SF  H8   C3   H9   106.11  3.000
 5SF  H8   C3   N    113.98  3.000
 5SF  H9   C3   N    108.43  3.000
 5SF  H8   C3   C4   109.07  3.000
 5SF  H9   C3   C4   109.94  3.000
 5SF  N    C3   C4   109.24  3.000
 5SF  H13  C7   C6   120.77  3.000
 5SF  H13  C7   C8   118.94  3.000
 5SF  C6   C7   C8   120.28  3.000
 5SF  N3   C8   C9   120.60  3.000
 5SF  C9   C8   C7   119.13  3.000
 5SF  N3   C8   C7   120.26  3.000
 5SF  N2   C9   C10  119.47  3.000
 5SF  C10  C9   C8   119.71  3.000
 5SF  N2   C9   C8   120.82  3.000
 5SF  H14  C10  C5   121.03  3.000
 5SF  H14  C10  C9   118.41  3.000
 5SF  C5   C10  C9   120.55  3.000
 5SF  N2   C11  C13  118.40  3.000
 5SF  N2   C11  C12  120.74  3.000
 5SF  C13  C11  C12  120.86  3.000
 5SF  H15  C12  N3   117.20  3.000
 5SF  H15  C12  C11  120.24  3.000
 5SF  N3   C12  C11  122.56  3.000
 5SF  C15  C13  C14  103.71  3.000
 5SF  C15  C13  C11  128.96  3.000
 5SF  C14  C13  C11  127.33  3.000
 5SF  H16  C14  N4   120.71  3.000
 5SF  H16  C14  C13  127.91  3.000
 5SF  N4   C14  C13  111.37  3.000
 5SF  H17  C15  N5   121.33  3.000
 5SF  H17  C15  C13  131.84  3.000
 5SF  N5   C15  C13  106.83  3.000
 5SF  C18  C19  O1   115.57  3.000
 5SF  O1   C19  C20  123.06  3.000
 5SF  C18  C19  C20  121.37  3.000
 5SF  H22  C20  C21  121.00  3.000
 5SF  H22  C20  C19  120.98  3.000
 5SF  C21  C20  C19  118.01  3.000
 5SF  O    C21  C22  115.31  3.000
 5SF  O    C21  C20  123.28  3.000
 5SF  C22  C21  C20  121.41  3.000
 5SF  H23  C22  C17  121.82  3.000
 5SF  H23  C22  C21  118.15  3.000
 5SF  C17  C22  C21  120.03  3.000
 5SF  H29  C24  H27  108.80  3.000
 5SF  H29  C24  H28  108.71  3.000
 5SF  H27  C24  H28  108.65  3.000
 5SF  H29  C24  O1   112.02  3.000
 5SF  H27  C24  O1   112.12  3.000
 5SF  H28  C24  O1   106.42  3.000
 5SF  C24  O1   C19  119.06  3.000
 5SF  H21  C18  C17  121.11  3.000
 5SF  H21  C18  C19  118.76  3.000
 5SF  C17  C18  C19  120.13  3.000
 5SF  C23  O    C21  118.97  3.000
 5SF  H26  C23  H25  108.82  3.000
 5SF  H26  C23  H24  108.70  3.000
 5SF  H25  C23  H24  108.77  3.000
 5SF  H26  C23  O    112.04  3.000
 5SF  H25  C23  O    111.95  3.000
 5SF  H24  C23  O    106.45  3.000
 5SF  N1   C17  C18  119.89  3.000
 5SF  C18  C17  C22  119.04  3.000
 5SF  N1   C17  C22  121.00  3.000
 5SF  C5   N1   C4   117.09  3.000
 5SF  C4   N1   C17  120.65  3.000
 5SF  C5   N1   C17  121.17  3.000
 5SF  H10  C4   H11  105.66  3.000
 5SF  H10  C4   N1   108.70  3.000
 5SF  H11  C4   N1   109.26  3.000
 5SF  H10  C4   C3   108.91  3.000
 5SF  H11  C4   C3   110.36  3.000
 5SF  N1   C4   C3   113.63  3.000
 5SF  H7   N    C3   109.17  3.000
 5SF  H7   N    C1   108.92  3.000
 5SF  C3   N    C1   115.36  3.000
 5SF  H1   C    H2   107.48  3.000
 5SF  H1   C    H    107.88  3.000
 5SF  H2   C    H    107.79  3.000
 5SF  H1   C    C1   111.93  3.000
 5SF  H2   C    C1   110.97  3.000
 5SF  H    C    C1   110.61  3.000
 5SF  C6   C5   N1   119.17  3.000
 5SF  N1   C5   C10  121.54  3.000
 5SF  C6   C5   C10  119.28  3.000
 5SF  C11  N2   C9   117.88  3.000
 5SF  N4   N5   C16  120.05  3.000
 5SF  C16  N5   C15  127.39  3.000
 5SF  N4   N5   C15  112.56  3.000
 5SF  N5   N4   C14  105.53  3.000
 5SF  C12  N3   C8   117.40  3.000
 5SF  H12  C6   C5   119.65  3.000
 5SF  H12  C6   C7   119.31  3.000
 5SF  C5   C6   C7   121.02  3.000
 5SF  H18  C16  H20  109.05  3.000
 5SF  H18  C16  H19  109.03  3.000
 5SF  H20  C16  H19  109.30  3.000
 5SF  H18  C16  N5   108.96  3.000
 5SF  H20  C16  N5   110.34  3.000
 5SF  H19  C16  N5   110.13  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
 5SF  CONST_01  C12  N3   C8   C7    180.00   0.0  0
 5SF  CONST_02  N2   C9   C8   C7    180.00   0.0  0
 5SF  CONST_03  C10  C9   C8   C7      0.00   0.0  0
 5SF  CONST_04  C10  C5   C6   C7      0.00   0.0  0
 5SF  CONST_05  C11  C12  N3   C8      0.00   0.0  0
 5SF  CONST_06  C11  N2   C9   C8      0.00   0.0  0
 5SF  CONST_07  C5   C10  C9   C8      0.00   0.0  0
 5SF  CONST_08  C5   C6   C7   C8      0.00   0.0  0
 5SF  CONST_09  C13  C11  N2   C9    180.00   0.0  0
 5SF  CONST_10  C12  C11  N2   C9      0.00   0.0  0
 5SF  CONST_11  C12  N3   C8   C9      0.00   0.0  0
 5SF  CONST_12  C6   C7   C8   C9      0.00   0.0  0
 5SF  CONST_13  C6   C5   C10  C9      0.00   0.0  0
 5SF  CONST_14  C11  N2   C9   C10   180.00   0.0  0
 5SF  CONST_15  N3   C8   C9   C10   180.00   0.0  0
 5SF  CONST_16  N4   C14  C13  C11   180.00   0.0  0
 5SF  CONST_17  N5   C15  C13  C11   180.00   0.0  0
 5SF  CONST_18  C14  C13  C11  C12   180.00   0.0  0
 5SF  CONST_19  C15  C13  C11  C12     0.00   0.0  0
 5SF  CONST_20  N5   N4   C14  C13     0.00   0.0  0
 5SF  CONST_21  N4   N5   C15  C13     0.00   0.0  0
 5SF  CONST_22  N3   C12  C11  C13   180.00   0.0  0
 5SF  CONST_23  C15  N5   N4   C14     0.00   0.0  0
 5SF  CONST_24  N5   C15  C13  C14     0.00   0.0  0
 5SF  CONST_25  N2   C11  C13  C14     0.00   0.0  0
 5SF  CONST_26  N4   C14  C13  C15     0.00   0.0  0
 5SF  CONST_27  N2   C11  C13  C15   180.00   0.0  0
 5SF  CONST_28  C22  C17  C18  C19     0.00   0.0  0
 5SF  CONST_29  C22  C21  C20  C19     0.00   0.0  0
 5SF  CONST_30  C17  C18  C19  C20     0.00   0.0  0
 5SF  CONST_31  C17  C22  C21  C20     0.00   0.0  0
 5SF  CONST_32  C18  C17  C22  C21     0.00   0.0  0
 5SF  CONST_33  C18  C19  C20  C21     0.00   0.0  0
 5SF  CONST_34  N2   C9   C10  C5    180.00   0.0  0
 5SF  CONST_35  N3   C12  C11  N2      0.00   0.0  0
 5SF  CONST_36  N3   C8   C9   N2      0.00   0.0  0
 5SF  CONST_37  C6   C7   C8   N3    180.00   0.0  0
 5SF  CONST_38  N1   C5   C6   C7    180.00   0.0  0
 5SF  CONST_39  N1   C5   C10  C9    180.00   0.0  0
 5SF  CONST_40  C16  N5   C15  C13   180.00   0.0  0
 5SF  CONST_41  C16  N5   N4   C14   180.00   0.0  0
 5SF  CONST_42  N1   C17  C18  C19   180.00   0.0  0
 5SF  CONST_43  O    C21  C20  C19   180.00   0.0  0
 5SF  CONST_44  N1   C17  C22  C21   180.00   0.0  0
 5SF  CONST_45  O1   C19  C20  C21   180.00   0.0  0
 5SF  CONST_46  C17  C18  C19  O1    180.00   0.0  0
 5SF  CONST_47  C17  C22  C21  O     180.00   0.0  0
 5SF  CONST_48  H15  C12  N3   C8    180.00   0.0  0
 5SF  CONST_49  H14  C10  C9   C8    180.00   0.0  0
 5SF  CONST_50  H12  C6   C7   C8    180.00   0.0  0
 5SF  CONST_51  H13  C7   C8   C9    180.00   0.0  0
 5SF  CONST_52  H16  C14  C13  C11     0.00   0.0  0
 5SF  CONST_53  H17  C15  C13  C11     0.00   0.0  0
 5SF  CONST_54  H21  C18  C19  C20   180.00   0.0  0
 5SF  CONST_55  H23  C22  C21  C20   180.00   0.0  0
 5SF  CONST_56  H22  C20  C21  C22   180.00   0.0  0
 5SF  Var_01    C17  N1   C5   C10   -42.34  30.0  2
 5SF  Var_02    C5   N1   C17  C22   151.77  30.0  3
 5SF  Var_03    C18  C19  O1   C24  -177.28  30.0  1
 5SF  Var_04    H19  C16  N5   C15   123.27  30.0  2
 5SF  Var_05    H28  C24  O1   C19   179.25  30.0  3
 5SF  Var_06    H24  C23  O    C21  -178.83  30.0  3
 5SF  Var_07    C4   C3   N    C1    165.92  30.0  2
 5SF  Var_08    C3   N    C1   C2   -175.00  30.0  3
 5SF  Var_09    N    C3   C4   N1    174.90  30.0  3
 5SF  Var_10    H    C    C1   C2    -60.80  30.0  3
 5SF  Var_11    H4   C2   C1   N      56.74  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
 5SF  plan-1  C11  0.020
 5SF  plan-1  C13  0.020
 5SF  plan-1  C14  0.020
 5SF  plan-1  C15  0.020
 5SF  plan-1  N5   0.020
 5SF  plan-1  N4   0.020
 5SF  plan-1  H16  0.020
 5SF  plan-1  H17  0.020
 5SF  plan-1  C16  0.020
 5SF  plan-2  C19  0.020
 5SF  plan-2  C20  0.020
 5SF  plan-2  C21  0.020
 5SF  plan-2  C22  0.020
 5SF  plan-2  O1   0.020
 5SF  plan-2  C18  0.020
 5SF  plan-2  O    0.020
 5SF  plan-2  C17  0.020
 5SF  plan-2  N1   0.020
 5SF  plan-2  H22  0.020
 5SF  plan-2  H23  0.020
 5SF  plan-2  H21  0.020
 5SF  plan-3  C7   0.020
 5SF  plan-3  C8   0.020
 5SF  plan-3  C9   0.020
 5SF  plan-3  C10  0.020
 5SF  plan-3  C11  0.020
 5SF  plan-3  C12  0.020
 5SF  plan-3  C13  0.020
 5SF  plan-3  N1   0.020
 5SF  plan-3  C5   0.020
 5SF  plan-3  N2   0.020
 5SF  plan-3  N3   0.020
 5SF  plan-3  C6   0.020
 5SF  plan-3  H13  0.020
 5SF  plan-3  H14  0.020
 5SF  plan-3  H15  0.020
 5SF  plan-3  H12  0.020

