# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 14 07:04:09 2020
#   Inital geometry file: a 142 line input string
#   Ligand name: (R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cn1cc(cn1)c2ccc3nc([C@H](O)c4ccncc4)n(Cc5cc(C)ccc5C)c3c2
#
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
 A7A  A7A  (R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol  ligand  57  32  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_A7A
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
 A7A  O    O  OH1   0  -0.651   3.4598   0.8730   2.3491
 A7A  C19  C  CH1   0  -0.089   2.9303   0.4455   1.1290
 A7A  C20  C  CR6   0   0.191   3.6041   1.1543  -0.0309
 A7A  C24  C  CR16  0  -0.398   4.3320   0.4506  -0.9780
 A7A  C23  C  CR16  0  -0.052   4.9428   1.1489  -2.0118
 A7A  N4   N  N     0  -0.405   4.8734   2.4661  -2.1421
 A7A  C22  C  CR16  0  -0.057   4.1804   3.1381  -1.2269
 A7A  C21  C  CR16  0  -0.345   3.5331   2.5365  -0.1608
 A7A  C8   C  CR5   0   0.415   1.4494   0.7016   1.1029
 A7A  N1   N  N     0  -0.505   0.8708   1.4610   1.9866
 A7A  C9   C  CR56  0   0.144  -0.4600   1.4693   1.6419
 A7A  C14  C  CR56  0   0.372  -0.6568   0.6751   0.5044
 A7A  N    N  NR5   0  -0.557   0.5927   0.2043   0.1713
 A7A  C7   C  CH2   0  -0.379   0.9082  -0.6953  -0.9111
 A7A  C6   C  CR6   0   0.057   1.0459  -2.1423  -0.5019
 A7A  C4   C  CR6   0   0.059   1.5024  -3.0604  -1.4574
 A7A  C5   C  CH3   0  -0.745   1.8390  -2.6283  -2.8554
 A7A  C3   C  CR16  0  -0.284   1.6383  -4.3894  -1.0765
 A7A  C2   C  CR16  0  -0.302   1.3330  -4.8104   0.2111
 A7A  C25  C  CR16  0  -0.331   0.7356  -2.5723   0.7806
 A7A  C1   C  CR6   0   0.101   0.8718  -3.9072   1.1599
 A7A  C    C  CH3   0  -0.722   0.5077  -4.3459   2.5484
 A7A  C13  C  CR16  0  -0.415  -1.9019   0.4840  -0.0761
 A7A  C12  C  CR6   0   0.094  -2.9890   1.1215   0.5135
 A7A  C11  C  CR16  0  -0.351  -2.7933   1.9238   1.6588
 A7A  C10  C  CR16  0  -0.305  -1.5499   2.1084   2.2284
 A7A  C15  C  CR5   0  -0.133  -4.3288   0.9585  -0.0463
 A7A  C18  C  CR15  0   0.009  -5.4542   1.7259   0.1946
 A7A  N3   N  NR5   0  -0.266  -6.4523   1.2051  -0.5349
 A7A  C17  C  CH3   0  -0.507  -7.8150   1.6736  -0.6156
 A7A  N2   N  N     0  -0.279  -6.0662   0.1474  -1.2402
 A7A  C16  C  CR15  0  -0.101  -4.7880  -0.0139  -0.9581
 A7A  H1   H  HOH1  0   0.458   2.7992   1.4373   2.7775
 A7A  H2   H  HCH1  0   0.269   3.1065  -0.6329   1.0210
 A7A  H3   H  HCR6  0   0.279   4.4350  -0.6264  -0.9189
 A7A  H4   H  HCR6  0   0.270   5.5124   0.6128  -2.7626
 A7A  H5   H  HCR6  0   0.269   4.1344   4.2143  -1.3493
 A7A  H6   H  HCR6  0   0.273   2.9805   3.1447   0.5442
 A7A  H7   H  HCH2  0   0.302   0.1308  -0.5871  -1.6707
 A7A  H8   H  HCH2  0   0.282   1.8250  -0.3478  -1.3907
 A7A  H9   H  HCH3  0   0.240   2.6530  -1.8991  -2.8764
 A7A  H10  H  HCH3  0   0.259   2.1526  -3.4777  -3.4605
 A7A  H11  H  HCH3  0   0.249   0.9867  -2.1645  -3.3567
 A7A  H12  H  HCR6  0   0.247   1.9941  -5.1120  -1.8017
 A7A  H13  H  HCR6  0   0.246   1.4576  -5.8540   0.4747
 A7A  H14  H  HCR6  0   0.246   0.3769  -1.8627   1.5180
 A7A  H15  H  HCH3  0   0.248  -0.5708  -4.4867   2.6457
 A7A  H16  H  HCH3  0   0.244   0.9842  -5.2906   2.8074
 A7A  H17  H  HCH3  0   0.243   0.8024  -3.6047   3.2915
 A7A  H18  H  HCR6  0   0.268  -2.0231  -0.1325  -0.9579
 A7A  H19  H  HCR6  0   0.249  -3.6493   2.4036   2.1157
 A7A  H20  H  HCR6  0   0.260  -1.4282   2.7265   3.1082
 A7A  H21  H  HCR5  0   0.292  -5.6023   2.5955   0.8146
 A7A  H22  H  HCH3  0   0.261  -8.0503   1.9851  -1.6313
 A7A  H23  H  HCH3  0   0.262  -8.5025   0.8857  -0.3144
 A7A  H24  H  HCH3  0   0.259  -7.9362   2.5215   0.0519
 A7A  H25  H  HCR5  0   0.259  -4.2345  -0.8274  -1.4034

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
 A7A  C22  C21  aromatic  1.385  0.020  1.385
 A7A  C22  N4   aromatic  1.330  0.020  1.330
 A7A  C21  C20  aromatic  1.390  0.020  1.390
 A7A  N4   C23  aromatic  1.325  0.020  1.325
 A7A  O    C19  single    1.397  0.020  1.397
 A7A  C20  C19  single    1.517  0.020  1.517
 A7A  C20  C24  aromatic  1.386  0.020  1.386
 A7A  C23  C24  aromatic  1.389  0.020  1.389
 A7A  N1   C9   aromatic  1.375  0.020  1.375
 A7A  N1   C8   aromatic  1.301  0.020  1.301
 A7A  C19  C8   single    1.503  0.020  1.503
 A7A  C10  C9   aromatic  1.393  0.020  1.393
 A7A  C10  C11  aromatic  1.380  0.020  1.380
 A7A  C9   C14  aromatic  1.401  0.020  1.401
 A7A  C8   N    aromatic  1.360  0.020  1.360
 A7A  C11  C12  aromatic  1.412  0.020  1.412
 A7A  C14  N    aromatic  1.376  0.020  1.376
 A7A  C14  C13  aromatic  1.387  0.020  1.387
 A7A  N    C7   single    1.442  0.020  1.442
 A7A  C    C1   single    1.501  0.020  1.501
 A7A  C25  C1   aromatic  1.394  0.020  1.394
 A7A  C25  C6   aromatic  1.388  0.020  1.388
 A7A  C12  C13  aromatic  1.391  0.020  1.391
 A7A  C12  C15  single    1.461  0.020  1.461
 A7A  C1   C2   aromatic  1.389  0.020  1.389
 A7A  C7   C6   single    1.510  0.020  1.510
 A7A  C15  C16  aromatic  1.410  0.020  1.410
 A7A  C15  C18  aromatic  1.383  0.020  1.383
 A7A  C6   C4   aromatic  1.401  0.020  1.401
 A7A  C16  N2   aromatic  1.319  0.020  1.319
 A7A  C2   C3   aromatic  1.389  0.020  1.389
 A7A  C18  N3   aromatic  1.342  0.020  1.342
 A7A  N2   N3   aromatic  1.329  0.020  1.329
 A7A  C4   C3   aromatic  1.389  0.020  1.389
 A7A  C4   C5   single    1.502  0.020  1.502
 A7A  N3   C17  single    1.443  0.020  1.443
 A7A  O    H1   single    0.850  0.020  0.980
 A7A  C19  H2   single    0.970  0.020  1.090
 A7A  C24  H3   single    0.930  0.020  1.080
 A7A  C23  H4   single    0.930  0.020  1.080
 A7A  C22  H5   single    0.930  0.020  1.080
 A7A  C21  H6   single    0.930  0.020  1.080
 A7A  C7   H7   single    0.970  0.020  1.090
 A7A  C7   H8   single    0.970  0.020  1.090
 A7A  C5   H9   single    0.970  0.020  1.090
 A7A  C5   H10  single    0.970  0.020  1.090
 A7A  C5   H11  single    0.970  0.020  1.090
 A7A  C3   H12  single    0.930  0.020  1.080
 A7A  C2   H13  single    0.930  0.020  1.080
 A7A  C25  H14  single    0.930  0.020  1.080
 A7A  C    H15  single    0.970  0.020  1.090
 A7A  C    H16  single    0.970  0.020  1.090
 A7A  C    H17  single    0.970  0.020  1.090
 A7A  C13  H18  single    0.930  0.020  1.080
 A7A  C11  H19  single    0.930  0.020  1.080
 A7A  C10  H20  single    0.930  0.020  1.080
 A7A  C18  H21  single    0.930  0.020  1.080
 A7A  C17  H22  single    0.970  0.020  1.090
 A7A  C17  H23  single    0.970  0.020  1.090
 A7A  C17  H24  single    0.970  0.020  1.090
 A7A  C16  H25  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
 A7A  H1   O    C19  107.82  3.000
 A7A  H2   C19  C8   108.89  3.000
 A7A  H2   C19  C20  108.20  3.000
 A7A  C8   C19  C20  110.17  3.000
 A7A  H2   C19  O    109.00  3.000
 A7A  C8   C19  O    109.66  3.000
 A7A  C20  C19  O    110.88  3.000
 A7A  C21  C20  C24  117.88  3.000
 A7A  C24  C20  C19  121.22  3.000
 A7A  C21  C20  C19  120.88  3.000
 A7A  H3   C24  C23  119.90  3.000
 A7A  H3   C24  C20  121.14  3.000
 A7A  C23  C24  C20  118.96  3.000
 A7A  H4   C23  N4   116.79  3.000
 A7A  H4   C23  C24  119.86  3.000
 A7A  N4   C23  C24  123.35  3.000
 A7A  C22  N4   C23  117.49  3.000
 A7A  H5   C22  C21  119.89  3.000
 A7A  H5   C22  N4   116.48  3.000
 A7A  C21  C22  N4   123.63  3.000
 A7A  H6   C21  C22  119.72  3.000
 A7A  H6   C21  C20  121.59  3.000
 A7A  C22  C21  C20  118.69  3.000
 A7A  N    C8   N1   113.50  3.000
 A7A  N    C8   C19  124.77  3.000
 A7A  N1   C8   C19  121.73  3.000
 A7A  C9   N1   C8   105.29  3.000
 A7A  C10  C9   C14  119.47  3.000
 A7A  C14  C9   N1   109.64  3.000
 A7A  C10  C9   N1   130.89  3.000
 A7A  C13  C14  N    131.80  3.000
 A7A  C13  C14  C9   122.95  3.000
 A7A  N    C14  C9   105.24  3.000
 A7A  C7   N    C14  126.42  3.000
 A7A  C7   N    C8   127.19  3.000
 A7A  C14  N    C8   106.32  3.000
 A7A  H8   C7   H7   105.12  3.000
 A7A  H8   C7   C6   110.34  3.000
 A7A  H7   C7   C6   110.38  3.000
 A7A  H8   C7   N    108.36  3.000
 A7A  H7   C7   N    107.72  3.000
 A7A  C6   C7   N    114.47  3.000
 A7A  C25  C6   C4   119.99  3.000
 A7A  C4   C6   C7   118.21  3.000
 A7A  C25  C6   C7   121.80  3.000
 A7A  C3   C4   C5   120.58  3.000
 A7A  C5   C4   C6   121.28  3.000
 A7A  C3   C4   C6   118.14  3.000
 A7A  H11  C5   H10  107.51  3.000
 A7A  H11  C5   H9   106.80  3.000
 A7A  H10  C5   H9   107.17  3.000
 A7A  H11  C5   C4   112.00  3.000
 A7A  H10  C5   C4   110.94  3.000
 A7A  H9   C5   C4   112.14  3.000
 A7A  H12  C3   C2   119.37  3.000
 A7A  H12  C3   C4   119.11  3.000
 A7A  C2   C3   C4   121.52  3.000
 A7A  H13  C2   C1   119.89  3.000
 A7A  H13  C2   C3   119.49  3.000
 A7A  C1   C2   C3   120.62  3.000
 A7A  H14  C25  C1   118.28  3.000
 A7A  H14  C25  C6   119.98  3.000
 A7A  C1   C25  C6   121.75  3.000
 A7A  C    C1   C25  120.52  3.000
 A7A  C25  C1   C2   117.98  3.000
 A7A  C    C1   C2   121.50  3.000
 A7A  H17  C    H16  108.02  3.000
 A7A  H17  C    H15  107.09  3.000
 A7A  H16  C    H15  107.40  3.000
 A7A  H17  C    C1   111.48  3.000
 A7A  H16  C    C1   111.55  3.000
 A7A  H15  C    C1   111.08  3.000
 A7A  H18  C13  C12  121.24  3.000
 A7A  H18  C13  C14  121.32  3.000
 A7A  C12  C13  C14  117.45  3.000
 A7A  C15  C12  C11  120.09  3.000
 A7A  C15  C12  C13  120.20  3.000
 A7A  C11  C12  C13  119.72  3.000
 A7A  H19  C11  C10  118.61  3.000
 A7A  H19  C11  C12  118.99  3.000
 A7A  C10  C11  C12  122.40  3.000
 A7A  H20  C10  C11  120.89  3.000
 A7A  H20  C10  C9   121.09  3.000
 A7A  C11  C10  C9   118.02  3.000
 A7A  C16  C15  C18  103.31  3.000
 A7A  C18  C15  C12  128.13  3.000
 A7A  C16  C15  C12  128.56  3.000
 A7A  H21  C18  N3   121.58  3.000
 A7A  H21  C18  C15  131.25  3.000
 A7A  N3   C18  C15  107.17  3.000
 A7A  N2   N3   C17  120.21  3.000
 A7A  C17  N3   C18  127.37  3.000
 A7A  N2   N3   C18  112.43  3.000
 A7A  H24  C17  H23  108.95  3.000
 A7A  H24  C17  H22  109.03  3.000
 A7A  H23  C17  H22  109.21  3.000
 A7A  H24  C17  N3   108.93  3.000
 A7A  H23  C17  N3   110.24  3.000
 A7A  H22  C17  N3   110.45  3.000
 A7A  C16  N2   N3   105.40  3.000
 A7A  H25  C16  N2   120.04  3.000
 A7A  H25  C16  C15  128.26  3.000
 A7A  N2   C16  C15  111.69  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
 A7A  CONST_01  N4   C22  C21  C20    0.00   0.0  0
 A7A  CONST_02  N4   C23  C24  C20    0.00   0.0  0
 A7A  CONST_03  C22  C21  C20  C24    0.00   0.0  0
 A7A  CONST_04  C22  N4   C23  C24    0.00   0.0  0
 A7A  CONST_05  C21  C22  N4   C23    0.00   0.0  0
 A7A  CONST_06  C21  C20  C24  C23    0.00   0.0  0
 A7A  CONST_07  C10  C9   N1   C8   180.00   0.0  0
 A7A  CONST_08  C14  C9   N1   C8     0.00   0.0  0
 A7A  CONST_09  C9   C14  N    C8     0.00   0.0  0
 A7A  CONST_10  C13  C14  N    C8   180.00   0.0  0
 A7A  CONST_11  C11  C10  C9   N1   180.00   0.0  0
 A7A  CONST_12  N    C14  C9   N1     0.00   0.0  0
 A7A  CONST_13  C13  C14  C9   N1   180.00   0.0  0
 A7A  CONST_14  C14  N    C8   N1     0.00   0.0  0
 A7A  CONST_15  N    C8   N1   C9     0.00   0.0  0
 A7A  CONST_16  C12  C11  C10  C9     0.00   0.0  0
 A7A  CONST_17  C12  C13  C14  C9     0.00   0.0  0
 A7A  CONST_18  C11  C10  C9   C14    0.00   0.0  0
 A7A  CONST_19  C11  C12  C13  C14    0.00   0.0  0
 A7A  CONST_20  C15  C12  C13  C14  180.00   0.0  0
 A7A  CONST_21  C10  C9   C14  N    180.00   0.0  0
 A7A  CONST_22  C12  C13  C14  N    180.00   0.0  0
 A7A  CONST_23  C2   C1   C25  C6     0.00   0.0  0
 A7A  CONST_24  C2   C3   C4   C6     0.00   0.0  0
 A7A  CONST_25  C1   C25  C6   C4     0.00   0.0  0
 A7A  CONST_26  C1   C2   C3   C4     0.00   0.0  0
 A7A  CONST_27  C25  C1   C2   C3     0.00   0.0  0
 A7A  CONST_28  C25  C6   C4   C3     0.00   0.0  0
 A7A  CONST_29  C10  C9   C14  C13    0.00   0.0  0
 A7A  CONST_30  C10  C11  C12  C13    0.00   0.0  0
 A7A  CONST_33  N2   C16  C15  C12  180.00   0.0  0
 A7A  CONST_34  N3   C18  C15  C12  180.00   0.0  0
 A7A  CONST_37  C15  C12  C11  C10  180.00   0.0  0
 A7A  CONST_38  N3   N2   C16  C15    0.00   0.0  0
 A7A  CONST_39  N2   N3   C18  C15    0.00   0.0  0
 A7A  CONST_40  N2   C16  C15  C18    0.00   0.0  0
 A7A  CONST_41  C16  N2   N3   C18    0.00   0.0  0
 A7A  CONST_42  C16  C15  C18  N3     0.00   0.0  0
 A7A  CONST_43  C22  C21  C20  C19  180.00   0.0  0
 A7A  CONST_44  C23  C24  C20  C19  180.00   0.0  0
 A7A  CONST_45  C9   N1   C8   C19  180.00   0.0  0
 A7A  CONST_46  C14  N    C8   C19  180.00   0.0  0
 A7A  CONST_47  C7   N    C8   N1   180.00   0.0  0
 A7A  CONST_48  C7   N    C14  C9   180.00   0.0  0
 A7A  CONST_49  C13  C14  N    C7     0.00   0.0  0
 A7A  CONST_50  C1   C25  C6   C7   180.00   0.0  0
 A7A  CONST_51  C3   C4   C6   C7   180.00   0.0  0
 A7A  CONST_52  C    C1   C25  C6   180.00   0.0  0
 A7A  CONST_53  C25  C6   C4   C5   180.00   0.0  0
 A7A  CONST_54  C2   C3   C4   C5   180.00   0.0  0
 A7A  CONST_55  C    C1   C2   C3   180.00   0.0  0
 A7A  CONST_56  C17  N3   C18  C15  180.00   0.0  0
 A7A  CONST_57  C16  N2   N3   C17  180.00   0.0  0
 A7A  CONST_58  H5   C22  C21  C20  180.00   0.0  0
 A7A  CONST_59  H4   C23  C24  C20  180.00   0.0  0
 A7A  CONST_60  H6   C21  C20  C24  180.00   0.0  0
 A7A  CONST_61  H3   C24  C23  N4   180.00   0.0  0
 A7A  CONST_62  H20  C10  C9   N1     0.00   0.0  0
 A7A  CONST_63  H19  C11  C10  C9   180.00   0.0  0
 A7A  CONST_64  H18  C13  C14  C9   180.00   0.0  0
 A7A  CONST_65  H12  C3   C4   C6   180.00   0.0  0
 A7A  CONST_66  H14  C25  C6   C4   180.00   0.0  0
 A7A  CONST_67  H13  C2   C3   C4   180.00   0.0  0
 A7A  CONST_68  H25  C16  C15  C12    0.00   0.0  0
 A7A  CONST_69  H21  C18  C15  C12    0.00   0.0  0
 A7A  Var_01    C6   C7   N    C8    78.62  30.0  2
 A7A  Var_02    C25  C6   C7   N      7.20  30.0  2
 A7A  Var_03    H9   C5   C4   C6    61.56  30.0  2
 A7A  Var_04    H15  C    C1   C2   -98.47  30.0  2
 A7A  Var_05    H22  C17  N3   C18  117.63  30.0  2

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
 A7A  chir_01  C19  O  C20  C8  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
 A7A  plan-1  C12  0.020
 A7A  plan-1  C15  0.020
 A7A  plan-1  C18  0.020
 A7A  plan-1  N3   0.020
 A7A  plan-1  C17  0.020
 A7A  plan-1  N2   0.020
 A7A  plan-1  C16  0.020
 A7A  plan-1  H21  0.020
 A7A  plan-1  H25  0.020
 A7A  plan-2  C19  0.020
 A7A  plan-2  C20  0.020
 A7A  plan-2  C24  0.020
 A7A  plan-2  C23  0.020
 A7A  plan-2  N4   0.020
 A7A  plan-2  C22  0.020
 A7A  plan-2  C21  0.020
 A7A  plan-2  H3   0.020
 A7A  plan-2  H4   0.020
 A7A  plan-2  H5   0.020
 A7A  plan-2  H6   0.020
 A7A  plan-3  C7   0.020
 A7A  plan-3  C6   0.020
 A7A  plan-3  C4   0.020
 A7A  plan-3  C5   0.020
 A7A  plan-3  C3   0.020
 A7A  plan-3  C2   0.020
 A7A  plan-3  C25  0.020
 A7A  plan-3  C1   0.020
 A7A  plan-3  C    0.020
 A7A  plan-3  H12  0.020
 A7A  plan-3  H13  0.020
 A7A  plan-3  H14  0.020
 A7A  plan-4  C19  0.020
 A7A  plan-4  C8   0.020
 A7A  plan-4  N1   0.020
 A7A  plan-4  C9   0.020
 A7A  plan-4  C14  0.020
 A7A  plan-4  N    0.020
 A7A  plan-4  C7   0.020
 A7A  plan-4  C13  0.020
 A7A  plan-4  C12  0.020
 A7A  plan-4  C11  0.020
 A7A  plan-4  C10  0.020
 A7A  plan-4  C15  0.020
 A7A  plan-4  H18  0.020
 A7A  plan-4  H19  0.020
 A7A  plan-4  H20  0.020

