# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr 12 09:54:05 2020
#   Inital geometry file: a 147 line input string
#   Ligand name: 1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN(C)Cc1nn(C)c2ccc(cc12)c3cccc(F)c3OCCc4c(C)nn(C)c4C
#
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
 9M8  9M8  1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine  ligand  62  32  .  2022-07-24  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_9M8
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
 9M8  C1   C  CH3   0  -0.522   3.0129  -2.5401  -3.3797
 9M8  C2   C  CH2   0  -0.374   3.4674  -1.0763  -1.5452
 9M8  C3   C  CR5   0   0.240   3.1618  -0.7688  -0.1157
 9M8  C5   C  CR56  0   0.442   2.3629   0.0509   1.8036
 9M8  C10  C  CR56  0  -0.102   2.3663   0.2809   0.4190
 9M8  C11  C  CR6   0  -0.018  -0.0179   3.1652   0.1770
 9M8  C15  C  CR5   0  -0.221  -2.2813  -1.6962   0.2945
 9M8  C16  C  CR5   0   0.420  -1.2404  -2.6055   0.2702
 9M8  C17  C  CH3   0  -0.773   0.0623  -2.6055   0.9864
 9M8  C19  C  CR5   0   0.249  -3.2484  -2.2404  -0.5769
 9M8  C20  C  CH3   0  -0.745  -4.5905  -1.6840  -0.9113
 9M8  C23  C  CR16  0  -0.242  -0.3270   5.2554  -0.9965
 9M8  C24  C  CR16  0  -0.309   0.5077   4.2794  -0.4721
 9M8  C6   C  CR16  0  -0.299   1.6164   0.8461   2.6815
 9M8  C7   C  CR16  0  -0.271   0.8653   1.8533   2.1238
 9M8  C8   C  CR6   0   0.031   0.8585   2.1087   0.7310
 9M8  C9   C  CR16  0  -0.363   1.6228   1.3368  -0.1181
 9M8  C13  C  CH2   0  -0.146  -1.9913   0.7597   0.1285
 9M8  C14  C  CH2   0  -0.567  -2.3488  -0.4028   1.0384
 9M8  C21  C  CR6   0   0.484  -2.2187   4.0178  -0.2530
 9M8  C22  C  CR16  0  -0.427  -1.7046   5.1331  -0.8827
 9M8  C12  C  CR6   0   0.171  -1.4047   3.0292   0.2855
 9M8  F    F  F     0  -0.310  -3.5474   3.8713  -0.1529
 9M8  O    O  O2    0  -0.490  -1.9680   1.9613   0.9029
 9M8  N4   N  N     0  -0.318  -2.8322  -3.3847  -1.0872
 9M8  N3   N  NR5   0  -0.325  -1.6239  -3.5962  -0.5615
 9M8  N2   N  NR5   0  -0.389   3.1411  -1.0383   2.0084
 9M8  N1   N  N     0  -0.265   3.6028  -1.5330   0.8556
 9M8  N    N  NT    0  -0.399   2.5103  -2.0048  -2.1317
 9M8  C    C  CH3   0  -0.539   1.2084  -1.4033  -2.3241
 9M8  H1   H  HCH3  0   0.235   3.9733  -3.0319  -3.2196
 9M8  H2   H  HCH3  0   0.234   2.3171  -3.2844  -3.7695
 9M8  H3   H  HCH3  0   0.193   3.1525  -1.7747  -4.1593
 9M8  H4   H  HCH2  0   0.214   3.5271  -0.1355  -2.1180
 9M8  H5   H  HCH2  0   0.257   4.4567  -1.5353  -1.5946
 9M8  H6   H  HCH3  0   0.252   2.6086  -2.5002   3.4187
 9M8  H7   H  HCH3  0   0.268   4.3466  -2.2116   3.2149
 9M8  H8   H  HCH3  0   0.257   3.3532  -1.0333   4.0745
 9M8  H9   H  HCH3  0   0.262   0.1381  -3.4332   1.6948
 9M8  H10  H  HCH3  0   0.261   0.9100  -2.6786   0.3028
 9M8  H11  H  HCH3  0   0.258   0.1751  -1.6803   1.5484
 9M8  H12  H  HCH3  0   0.248  -0.3271  -4.5386  -1.9186
 9M8  H13  H  HCH3  0   0.258  -0.1107  -4.9797  -0.2196
 9M8  H14  H  HCH3  0   0.264  -1.5042  -5.5917  -1.1138
 9M8  H15  H  HCH3  0   0.244  -5.2250  -1.6129  -0.0257
 9M8  H16  H  HCH3  0   0.241  -4.5185  -0.6805  -1.3337
 9M8  H17  H  HCH3  0   0.248  -5.1008  -2.3158  -1.6367
 9M8  H18  H  HCR6  0   0.268   0.0941   6.1213  -1.4887
 9M8  H19  H  HCR6  0   0.259   1.5819   4.3850  -0.5542
 9M8  H20  H  HCR6  0   0.272   1.6049   0.6707   3.7492
 9M8  H21  H  HCR6  0   0.255   0.2610   2.4754   2.7710
 9M8  H22  H  HCR6  0   0.258   1.6086   1.5170  -1.1868
 9M8  H23  H  HCH2  0   0.228  -1.0117   0.5776  -0.3225
 9M8  H24  H  HCH2  0   0.228  -2.7179   0.8560  -0.6857
 9M8  H25  H  HCH2  0   0.250  -3.3477  -0.2524   1.4580
 9M8  H26  H  HCH2  0   0.248  -1.6530  -0.4153   1.8817
 9M8  H27  H  HCR6  0   0.282  -2.3710   5.8858  -1.2833
 9M8  H29  H  HCH3  0   0.238   0.5194  -2.1404  -2.7385
 9M8  H30  H  HCH3  0   0.243   0.7905  -1.0647  -1.3768
 9M8  H31  H  HCH3  0   0.201   1.2283  -0.5394  -3.0083
 9M8  C4   C  CH3   0  -0.525   3.3693  -1.7378   3.2466
 9M8  C18  C  CH3   0  -0.521  -0.8476  -4.7358  -0.9803

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
 9M8  F    C21  single    1.341  0.020  1.341
 9M8  C22  C21  aromatic  1.380  0.020  1.380
 9M8  C22  C23  aromatic  1.388  0.020  1.388
 9M8  C21  C12  aromatic  1.389  0.020  1.389
 9M8  C23  C24  aromatic  1.387  0.020  1.387
 9M8  C20  C19  single    1.491  0.020  1.491
 9M8  C12  O    single    1.356  0.020  1.356
 9M8  C12  C11  aromatic  1.398  0.020  1.398
 9M8  C24  C11  aromatic  1.393  0.020  1.393
 9M8  O    C13  single    1.430  0.020  1.430
 9M8  C13  C14  single    1.519  0.020  1.519
 9M8  C19  N4   aromatic  1.320  0.020  1.320
 9M8  C19  C15  aromatic  1.411  0.020  1.411
 9M8  C11  C8   single    1.480  0.020  1.480
 9M8  C14  C15  single    1.494  0.020  1.494
 9M8  N4   N3   aromatic  1.335  0.020  1.335
 9M8  C15  C16  aromatic  1.382  0.020  1.382
 9M8  C8   C9   aromatic  1.379  0.020  1.379
 9M8  C8   C7   aromatic  1.416  0.020  1.416
 9M8  N3   C16  aromatic  1.349  0.020  1.349
 9M8  N3   C18  single    1.441  0.020  1.441
 9M8  C9   C10  aromatic  1.399  0.020  1.399
 9M8  C16  C17  single    1.487  0.020  1.487
 9M8  C7   C6   aromatic  1.375  0.020  1.375
 9M8  C1   N    single    1.448  0.020  1.448
 9M8  C10  C5   aromatic  1.404  0.020  1.404
 9M8  C10  C3   aromatic  1.421  0.020  1.421
 9M8  C6   C5   aromatic  1.400  0.020  1.400
 9M8  C2   N    single    1.457  0.020  1.457
 9M8  C2   C3   single    1.494  0.020  1.494
 9M8  N    C    single    1.447  0.020  1.447
 9M8  C5   N2   aromatic  1.354  0.020  1.354
 9M8  C3   N1   aromatic  1.312  0.020  1.312
 9M8  N2   N1   aromatic  1.337  0.020  1.337
 9M8  N2   C4   single    1.440  0.020  1.440
 9M8  C1   H1   single    0.970  0.020  1.090
 9M8  C1   H2   single    0.970  0.020  1.090
 9M8  C1   H3   single    0.970  0.020  1.090
 9M8  C2   H4   single    0.970  0.020  1.090
 9M8  C2   H5   single    0.970  0.020  1.090
 9M8  C4   H6   single    0.970  0.020  1.090
 9M8  C4   H7   single    0.970  0.020  1.090
 9M8  C4   H8   single    0.970  0.020  1.090
 9M8  C17  H9   single    0.970  0.020  1.090
 9M8  C17  H10  single    0.970  0.020  1.090
 9M8  C17  H11  single    0.970  0.020  1.090
 9M8  C18  H12  single    0.970  0.020  1.090
 9M8  C18  H13  single    0.970  0.020  1.090
 9M8  C18  H14  single    0.970  0.020  1.090
 9M8  C20  H15  single    0.970  0.020  1.090
 9M8  C20  H16  single    0.970  0.020  1.090
 9M8  C20  H17  single    0.970  0.020  1.090
 9M8  C23  H18  single    0.930  0.020  1.080
 9M8  C24  H19  single    0.930  0.020  1.080
 9M8  C6   H20  single    0.930  0.020  1.080
 9M8  C7   H21  single    0.930  0.020  1.080
 9M8  C9   H22  single    0.930  0.020  1.080
 9M8  C13  H23  single    0.970  0.020  1.090
 9M8  C13  H24  single    0.970  0.020  1.090
 9M8  C14  H25  single    0.970  0.020  1.090
 9M8  C14  H26  single    0.970  0.020  1.090
 9M8  C22  H27  single    0.930  0.020  1.080
 9M8  C    H29  single    0.970  0.020  1.090
 9M8  C    H30  single    0.970  0.020  1.090
 9M8  C    H31  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
 9M8  H3   C1   H2   107.58  3.000
 9M8  H3   C1   H1   107.79  3.000
 9M8  H2   C1   H1   107.84  3.000
 9M8  H3   C1   N    113.40  3.000
 9M8  H2   C1   N    109.80  3.000
 9M8  H1   C1   N    110.23  3.000
 9M8  H5   C2   H4   106.62  3.000
 9M8  H5   C2   N    108.01  3.000
 9M8  H4   C2   N    111.72  3.000
 9M8  H5   C2   C3   108.38  3.000
 9M8  H4   C2   C3   109.42  3.000
 9M8  N    C2   C3   112.46  3.000
 9M8  N1   C3   C10  109.86  3.000
 9M8  N1   C3   C2   121.31  3.000
 9M8  C10  C3   C2   128.79  3.000
 9M8  N2   C5   C6   131.94  3.000
 9M8  N2   C5   C10  106.24  3.000
 9M8  C6   C5   C10  121.79  3.000
 9M8  C9   C10  C5   120.08  3.000
 9M8  C5   C10  C3   104.56  3.000
 9M8  C9   C10  C3   135.28  3.000
 9M8  C12  C11  C8   119.27  3.000
 9M8  C8   C11  C24  121.47  3.000
 9M8  C12  C11  C24  119.25  3.000
 9M8  C14  C15  C19  127.64  3.000
 9M8  C14  C15  C16  127.76  3.000
 9M8  C19  C15  C16  104.57  3.000
 9M8  N3   C16  C17  123.10  3.000
 9M8  C17  C16  C15  130.65  3.000
 9M8  N3   C16  C15  106.25  3.000
 9M8  H11  C17  H10  107.45  3.000
 9M8  H11  C17  H9   107.59  3.000
 9M8  H10  C17  H9   107.55  3.000
 9M8  H11  C17  C16  109.85  3.000
 9M8  H10  C17  C16  112.26  3.000
 9M8  H9   C17  C16  111.93  3.000
 9M8  N4   C19  C20  121.37  3.000
 9M8  N4   C19  C15  110.91  3.000
 9M8  C20  C19  C15  127.71  3.000
 9M8  H17  C20  H16  107.86  3.000
 9M8  H17  C20  H15  107.81  3.000
 9M8  H16  C20  H15  107.01  3.000
 9M8  H17  C20  C19  110.78  3.000
 9M8  H16  C20  C19  111.75  3.000
 9M8  H15  C20  C19  111.44  3.000
 9M8  H18  C23  C22  119.64  3.000
 9M8  H18  C23  C24  120.07  3.000
 9M8  C22  C23  C24  120.29  3.000
 9M8  H19  C24  C23  119.99  3.000
 9M8  H19  C24  C11  119.21  3.000
 9M8  C23  C24  C11  120.80  3.000
 9M8  H20  C6   C7   120.88  3.000
 9M8  H20  C6   C5   122.16  3.000
 9M8  C7   C6   C5   116.94  3.000
 9M8  H21  C7   C8   118.81  3.000
 9M8  H21  C7   C6   118.93  3.000
 9M8  C8   C7   C6   122.26  3.000
 9M8  C9   C8   C7   120.14  3.000
 9M8  C7   C8   C11  119.98  3.000
 9M8  C9   C8   C11  119.82  3.000
 9M8  H22  C9   C8   120.46  3.000
 9M8  H22  C9   C10  120.74  3.000
 9M8  C8   C9   C10  118.74  3.000
 9M8  H24  C13  H23  107.59  3.000
 9M8  H24  C13  O    109.85  3.000
 9M8  H23  C13  O    110.41  3.000
 9M8  H24  C13  C14  110.88  3.000
 9M8  H23  C13  C14  109.29  3.000
 9M8  O    C13  C14  108.82  3.000
 9M8  H26  C14  H25  106.67  3.000
 9M8  H26  C14  C13  108.72  3.000
 9M8  H25  C14  C13  109.85  3.000
 9M8  H26  C14  C15  110.21  3.000
 9M8  H25  C14  C15  110.57  3.000
 9M8  C13  C14  C15  110.72  3.000
 9M8  F    C21  C12  118.30  3.000
 9M8  C12  C21  C22  122.26  3.000
 9M8  F    C21  C22  119.45  3.000
 9M8  H27  C22  C21  120.11  3.000
 9M8  H27  C22  C23  121.30  3.000
 9M8  C21  C22  C23  118.58  3.000
 9M8  O    C12  C21  119.57  3.000
 9M8  O    C12  C11  121.61  3.000
 9M8  C21  C12  C11  118.82  3.000
 9M8  C12  O    C13  114.96  3.000
 9M8  N3   N4   C19  105.70  3.000
 9M8  N4   N3   C18  119.91  3.000
 9M8  C18  N3   C16  127.35  3.000
 9M8  N4   N3   C16  112.56  3.000
 9M8  N1   N2   C5   111.45  3.000
 9M8  N1   N2   C4   120.46  3.000
 9M8  C5   N2   C4   127.72  3.000
 9M8  N2   N1   C3   107.86  3.000
 9M8  C    N    C2   112.31  3.000
 9M8  C    N    C1   110.57  3.000
 9M8  C2   N    C1   110.77  3.000
 9M8  H31  C    H30  107.65  3.000
 9M8  H31  C    H29  107.77  3.000
 9M8  H30  C    H29  107.35  3.000
 9M8  H31  C    N    113.08  3.000
 9M8  H30  C    N    111.02  3.000
 9M8  H29  C    N    109.75  3.000
 9M8  H8   C4   H7   108.54  3.000
 9M8  H8   C4   H6   108.81  3.000
 9M8  H7   C4   H6   109.10  3.000
 9M8  H8   C4   N2   109.73  3.000
 9M8  H7   C4   N2   109.22  3.000
 9M8  H6   C4   N2   111.39  3.000
 9M8  H14  C18  H13  108.59  3.000
 9M8  H14  C18  H12  108.96  3.000
 9M8  H13  C18  H12  108.61  3.000
 9M8  H14  C18  N3   109.45  3.000
 9M8  H13  C18  N3   109.84  3.000
 9M8  H12  C18  N3   111.35  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
 9M8  CONST_01  C8   C9   C10  C3    180.00   0.0  0
 9M8  CONST_02  C6   C5   C10  C3    180.00   0.0  0
 9M8  CONST_03  N2   C5   C10  C3      0.00   0.0  0
 9M8  CONST_04  C5   N2   N1   C3      0.00   0.0  0
 9M8  CONST_05  C8   C9   C10  C5      0.00   0.0  0
 9M8  CONST_06  N1   C3   C10  C5      0.00   0.0  0
 9M8  CONST_07  C8   C7   C6   C5      0.00   0.0  0
 9M8  CONST_08  C11  C8   C9   C10   180.00   0.0  0
 9M8  CONST_09  C7   C8   C9   C10     0.00   0.0  0
 9M8  CONST_10  C7   C6   C5   C10     0.00   0.0  0
 9M8  CONST_11  N1   N2   C5   C10     0.00   0.0  0
 9M8  CONST_12  N2   N1   C3   C10     0.00   0.0  0
 9M8  CONST_13  C22  C21  C12  C11     0.00   0.0  0
 9M8  CONST_14  C22  C23  C24  C11     0.00   0.0  0
 9M8  CONST_15  C6   C7   C8   C11   180.00   0.0  0
 9M8  CONST_16  N3   N4   C19  C15     0.00   0.0  0
 9M8  CONST_17  N4   N3   C16  C15     0.00   0.0  0
 9M8  CONST_18  N4   C19  C15  C16     0.00   0.0  0
 9M8  CONST_19  C19  N4   N3   C16     0.00   0.0  0
 9M8  CONST_20  N3   C16  C15  C19     0.00   0.0  0
 9M8  CONST_21  C12  C21  C22  C23     0.00   0.0  0
 9M8  CONST_22  C12  C11  C24  C23     0.00   0.0  0
 9M8  CONST_23  C8   C11  C24  C23   180.00   0.0  0
 9M8  CONST_24  C21  C22  C23  C24     0.00   0.0  0
 9M8  CONST_25  C21  C12  C11  C24     0.00   0.0  0
 9M8  CONST_28  C9   C8   C7   C6      0.00   0.0  0
 9M8  CONST_29  C9   C10  C5   C6      0.00   0.0  0
 9M8  CONST_30  N1   N2   C5   C6    180.00   0.0  0
 9M8  CONST_32  N2   C5   C6   C7    180.00   0.0  0
 9M8  CONST_33  C21  C12  C11  C8    180.00   0.0  0
 9M8  CONST_35  N2   C5   C10  C9    180.00   0.0  0
 9M8  CONST_36  N1   C3   C10  C9    180.00   0.0  0
 9M8  CONST_37  C9   C10  C3   C2      0.00   0.0  0
 9M8  CONST_38  C5   C10  C3   C2    180.00   0.0  0
 9M8  CONST_39  N2   N1   C3   C2    180.00   0.0  0
 9M8  CONST_40  C4   N2   N1   C3    180.00   0.0  0
 9M8  CONST_41  C10  C5   N2   C4    180.00   0.0  0
 9M8  CONST_42  C6   C5   N2   C4      0.00   0.0  0
 9M8  CONST_43  F    C21  C12  C11   180.00   0.0  0
 9M8  CONST_44  C18  N3   C16  C15   180.00   0.0  0
 9M8  CONST_45  C20  C19  C15  C16   180.00   0.0  0
 9M8  CONST_46  C19  C15  C16  C17   180.00   0.0  0
 9M8  CONST_47  N4   N3   C16  C17   180.00   0.0  0
 9M8  CONST_48  C19  N4   N3   C18   180.00   0.0  0
 9M8  CONST_49  N3   N4   C19  C20   180.00   0.0  0
 9M8  CONST_50  F    C21  C22  C23   180.00   0.0  0
 9M8  CONST_51  O    C12  C11  C24   180.00   0.0  0
 9M8  CONST_52  O    C12  C11  C8      0.00   0.0  0
 9M8  CONST_53  N4   C19  C15  C14   180.00   0.0  0
 9M8  CONST_54  N3   C16  C15  C14   180.00   0.0  0
 9M8  CONST_55  O    C12  C21  C22   180.00   0.0  0
 9M8  CONST_56  H22  C9   C10  C3      0.00   0.0  0
 9M8  CONST_57  H21  C7   C6   C5    180.00   0.0  0
 9M8  CONST_58  H20  C6   C5   C10   180.00   0.0  0
 9M8  CONST_59  H18  C23  C24  C11   180.00   0.0  0
 9M8  CONST_60  H27  C22  C23  C24   180.00   0.0  0
 9M8  CONST_61  H19  C24  C11  C8      0.00   0.0  0
 9M8  Var_01    N    C2   C3   C10   -91.20  30.0  1
 9M8  Var_02    C13  C14  C15  C16    97.70  30.0  2
 9M8  Var_03    C21  C12  O    C13   102.47  30.0  2
 9M8  Var_04    H6   C4   N2   C5     87.06  30.0  2
 9M8  Var_05    H15  C20  C19  C15   -61.51  30.0  2
 9M8  Var_06    H9   C17  C16  C15   114.89  30.0  2
 9M8  Var_07    H12  C18  N3   C16   -93.17  30.0  2
 9M8  Var_08    C3   C2   N    C1   -165.47  30.0  1
 9M8  Var_09    O    C13  C14  C15  -175.60  30.0  2
 9M8  Var_10    H29  C    N    C1     57.24  30.0  3
 9M8  Var_11    H1   C1   N    C2     57.40  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
 9M8  plan-1  C15  0.020
 9M8  plan-1  C16  0.020
 9M8  plan-1  C17  0.020
 9M8  plan-1  C19  0.020
 9M8  plan-1  C20  0.020
 9M8  plan-1  C14  0.020
 9M8  plan-1  N4   0.020
 9M8  plan-1  N3   0.020
 9M8  plan-1  C18  0.020
 9M8  plan-2  C11  0.020
 9M8  plan-2  C23  0.020
 9M8  plan-2  C24  0.020
 9M8  plan-2  C8   0.020
 9M8  plan-2  C21  0.020
 9M8  plan-2  C22  0.020
 9M8  plan-2  C12  0.020
 9M8  plan-2  F    0.020
 9M8  plan-2  O    0.020
 9M8  plan-2  H18  0.020
 9M8  plan-2  H19  0.020
 9M8  plan-2  H27  0.020
 9M8  plan-3  C2   0.020
 9M8  plan-3  C3   0.020
 9M8  plan-3  C5   0.020
 9M8  plan-3  C10  0.020
 9M8  plan-3  C11  0.020
 9M8  plan-3  C6   0.020
 9M8  plan-3  C7   0.020
 9M8  plan-3  C8   0.020
 9M8  plan-3  C9   0.020
 9M8  plan-3  N2   0.020
 9M8  plan-3  N1   0.020
 9M8  plan-3  H20  0.020
 9M8  plan-3  H21  0.020
 9M8  plan-3  H22  0.020
 9M8  plan-3  C4   0.020

