# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun May 10 01:03:50 2020
#   Inital geometry file: a 147 line input string
#   Ligand name: 5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1CCN(CC1)Cc2ccc(Cn3ccc4ccc(cc34)c5n[nH]c(N)c5C#N)cc2
#
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
 JDH  JDH  5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile  ligand  59  32  .  2021-08-12  2021-08-12  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_JDH
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
 JDH  C10  C  CR16  0  -0.330   4.0512   2.3924   1.3121
 JDH  C13  C  CR15  0  -0.018   1.0507   3.5760  -0.3373
 JDH  C15  C  CH2   0  -0.448   0.2974   1.6492  -1.7382
 JDH  C17  C  CR16  0  -0.297  -2.1071   1.7468  -1.0067
 JDH  C20  C  CH2   0  -0.312  -4.2366  -0.4200   1.2740
 JDH  C22  C  CH2   0  -0.292  -6.6260  -0.3710   1.5392
 JDH  C26  C  CH2   0  -0.319  -6.9918  -0.8979  -1.2166
 JDH  C28  C  CR16  0  -0.300  -1.8657  -0.5941   0.4365
 JDH  C02  C  CR5   0   0.619   6.1212  -2.8178  -0.1512
 JDH  N03  N  NR15  0  -0.490   4.8538  -3.1693  -0.3862
 JDH  N04  N  N     0  -0.300   3.9792  -2.1508  -0.2674
 JDH  C05  C  CR5   0   0.322   4.6938  -1.1007   0.0495
 JDH  C06  C  CR6   0   0.045   4.0729   0.2130   0.2304
 JDH  C07  C  CR16  0  -0.359   2.9168   0.5174  -0.4749
 JDH  C08  C  CR56  0   0.411   2.3383   1.7659  -0.2782
 JDH  C09  C  CR56  0   0.052   2.8875   2.7199   0.6092
 JDH  C11  C  CR16  0  -0.335   4.6280   1.1547   1.1214
 JDH  C12  C  CR15  0  -0.422   2.0439   3.8685   0.5522
 JDH  N14  N  NR5   0  -0.518   1.2264   2.3202  -0.8512
 JDH  C16  C  CR6   0   0.134  -0.8862   1.0792  -1.0007
 JDH  C18  C  CR16  0  -0.270  -3.1914   1.2563  -0.2943
 JDH  C19  C  CR6   0   0.077  -3.0818   0.0818   0.4448
 JDH  N21  N  NT    0  -0.414  -5.5114  -0.2566   0.6146
 JDH  C23  C  CH2   0  -0.322  -7.9352  -0.0956   0.8087
 JDH  N24  N  NT    0  -0.403  -8.1525  -0.9528  -0.3438
 JDH  C25  C  CH3   0  -0.526  -8.5504  -2.3013   0.0069
 JDH  C27  C  CH2   0  -0.290  -5.6745  -1.1732  -0.5009
 JDH  C29  C  CR16  0  -0.277  -0.7800  -0.1029  -0.2745
 JDH  C30  C  CR5   0  -0.286   6.0741  -1.4505   0.1430
 JDH  C31  C  CSP   0  -0.037   7.1929  -0.6431   0.3859
 JDH  N32  N  NS    0  -0.267   8.1316   0.0036   0.5806
 JDH  H1   H  HCR6  0   0.251   4.4945   3.0956   2.0056
 JDH  H2   H  HCR5  0   0.284   0.2178   4.1823  -0.6591
 JDH  H3   H  HCH2  0   0.291  -0.0330   2.3645  -2.4920
 JDH  H4   H  HCH2  0   0.284   0.8420   0.8689  -2.2710
 JDH  H5   H  HCR6  0   0.250  -2.2139   2.6617  -1.5786
 JDH  H6   H  HCH2  0   0.210  -4.0464  -1.4658   1.5703
 JDH  H7   H  HCH2  0   0.252  -4.2656   0.1561   2.2047
 JDH  H8   H  HCH2  0   0.192  -6.6574  -1.3637   2.0215
 JDH  H9   H  HCH2  0   0.237  -6.5023   0.3643   2.3383
 JDH  H10  H  HCH2  0   0.234  -7.1219  -1.6081  -2.0362
 JDH  H11  H  HCH2  0   0.227  -6.9413   0.1021  -1.6606
 JDH  H12  H  HCR6  0   0.249  -1.7649  -1.5202   0.9903
 JDH  H13  H  HNH2  0   0.409   7.0652  -4.5246  -0.6933
 JDH  H14  H  HNH2  0   0.408   8.0816  -3.2720  -0.2183
 JDH  H15  H  HNR5  0   0.429   4.5148  -4.0921  -0.6096
 JDH  H16  H  HCR6  0   0.258   2.4944  -0.1997  -1.1676
 JDH  H17  H  HCR6  0   0.248   5.5141   0.9007   1.6874
 JDH  H18  H  HCR5  0   0.250   2.1613   4.7941   1.0929
 JDH  H19  H  HCR6  0   0.245  -4.1382   1.7808  -0.3200
 JDH  H21  H  HCH2  0   0.235  -8.7743  -0.1999   1.5000
 JDH  H22  H  HCH2  0   0.227  -7.9253   0.9444   0.4658
 JDH  H24  H  HCH3  0   0.198  -7.8080  -2.8810   0.5715
 JDH  H25  H  HCH3  0   0.230  -9.4605  -2.2668   0.6086
 JDH  H26  H  HCH3  0   0.231  -8.7804  -2.8622  -0.9007
 JDH  H27  H  HCH2  0   0.195  -5.6330  -2.2235  -0.1613
 JDH  H28  H  HCH2  0   0.240  -4.8507  -1.0394  -1.2053
 JDH  H29  H  HCR6  0   0.248   0.1517  -0.6566  -0.2627
 JDH  N01  N  NH2   0  -0.842   7.1615  -3.6770  -0.1568

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
 JDH  C27  C26  single    1.524  0.020  1.524
 JDH  C27  N21  single    1.453  0.020  1.453
 JDH  C25  N24  single    1.449  0.020  1.449
 JDH  C26  N24  single    1.453  0.020  1.453
 JDH  N24  C23  single    1.453  0.020  1.453
 JDH  C20  N21  single    1.445  0.020  1.445
 JDH  C20  C19  single    1.508  0.020  1.508
 JDH  N21  C22  single    1.453  0.020  1.453
 JDH  C22  C23  single    1.524  0.020  1.524
 JDH  C18  C19  aromatic  1.392  0.020  1.392
 JDH  C18  C17  aromatic  1.387  0.020  1.387
 JDH  C19  C28  aromatic  1.391  0.020  1.391
 JDH  C17  C16  aromatic  1.392  0.020  1.392
 JDH  C28  C29  aromatic  1.388  0.020  1.388
 JDH  C16  C29  aromatic  1.391  0.020  1.391
 JDH  C16  C15  single    1.507  0.020  1.507
 JDH  C13  C12  aromatic  1.365  0.020  1.365
 JDH  C13  N14  aromatic  1.368  0.020  1.368
 JDH  C12  C09  aromatic  1.426  0.020  1.426
 JDH  N14  C15  single    1.449  0.020  1.449
 JDH  N14  C08  aromatic  1.368  0.020  1.368
 JDH  C09  C08  aromatic  1.414  0.020  1.414
 JDH  C09  C10  aromatic  1.398  0.020  1.398
 JDH  C08  C07  aromatic  1.390  0.020  1.390
 JDH  C10  C11  aromatic  1.379  0.020  1.379
 JDH  C07  C06  aromatic  1.388  0.020  1.388
 JDH  C11  C06  aromatic  1.410  0.020  1.410
 JDH  C06  C05  single    1.464  0.020  1.464
 JDH  N04  C05  aromatic  1.309  0.020  1.309
 JDH  N04  N03  aromatic  1.348  0.020  1.348
 JDH  C05  C30  aromatic  1.427  0.020  1.427
 JDH  C30  C31  single    1.401  0.020  1.401
 JDH  C30  C02  aromatic  1.399  0.020  1.399
 JDH  N03  C02  aromatic  1.336  0.020  1.336
 JDH  C31  N32  triple    1.156  0.020  1.156
 JDH  C02  N01  single    1.349  0.020  1.349
 JDH  C10  H1   single    0.930  0.020  1.080
 JDH  C13  H2   single    0.930  0.020  1.080
 JDH  C15  H3   single    0.970  0.020  1.090
 JDH  C15  H4   single    0.970  0.020  1.090
 JDH  C17  H5   single    0.930  0.020  1.080
 JDH  C20  H6   single    0.970  0.020  1.090
 JDH  C20  H7   single    0.970  0.020  1.090
 JDH  C22  H8   single    0.970  0.020  1.090
 JDH  C22  H9   single    0.970  0.020  1.090
 JDH  C26  H10  single    0.970  0.020  1.090
 JDH  C26  H11  single    0.970  0.020  1.090
 JDH  C28  H12  single    0.930  0.020  1.080
 JDH  N01  H13  single    0.890  0.020  1.040
 JDH  N01  H14  single    0.890  0.020  1.040
 JDH  N03  H15  single    0.860  0.020  1.020
 JDH  C07  H16  single    0.930  0.020  1.080
 JDH  C11  H17  single    0.930  0.020  1.080
 JDH  C12  H18  single    0.930  0.020  1.080
 JDH  C18  H19  single    0.930  0.020  1.080
 JDH  C23  H21  single    0.970  0.020  1.090
 JDH  C23  H22  single    0.970  0.020  1.090
 JDH  C25  H24  single    0.970  0.020  1.090
 JDH  C25  H25  single    0.970  0.020  1.090
 JDH  C25  H26  single    0.970  0.020  1.090
 JDH  C27  H27  single    0.970  0.020  1.090
 JDH  C27  H28  single    0.970  0.020  1.090
 JDH  C29  H29  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
 JDH  H1   C10  C11  120.03  3.000
 JDH  H1   C10  C09  120.70  3.000
 JDH  C11  C10  C09  119.27  3.000
 JDH  H2   C13  N14  120.18  3.000
 JDH  H2   C13  C12  129.45  3.000
 JDH  N14  C13  C12  110.36  3.000
 JDH  H4   C15  H3   106.43  3.000
 JDH  H4   C15  C16  111.14  3.000
 JDH  H3   C15  C16  110.40  3.000
 JDH  H4   C15  N14  108.07  3.000
 JDH  H3   C15  N14  108.28  3.000
 JDH  C16  C15  N14  112.29  3.000
 JDH  H5   C17  C18  119.50  3.000
 JDH  H5   C17  C16  119.57  3.000
 JDH  C18  C17  C16  120.93  3.000
 JDH  H7   C20  H6   105.97  3.000
 JDH  H7   C20  N21  107.76  3.000
 JDH  H6   C20  N21  112.45  3.000
 JDH  H7   C20  C19  108.22  3.000
 JDH  H6   C20  C19  109.33  3.000
 JDH  N21  C20  C19  112.79  3.000
 JDH  H9   C22  H8   106.78  3.000
 JDH  H9   C22  C23  109.03  3.000
 JDH  H8   C22  C23  110.32  3.000
 JDH  H9   C22  N21  109.01  3.000
 JDH  H8   C22  N21  111.75  3.000
 JDH  C23  C22  N21  109.86  3.000
 JDH  H11  C26  H10  107.15  3.000
 JDH  H11  C26  C27  108.38  3.000
 JDH  H10  C26  C27  109.75  3.000
 JDH  H11  C26  N24  108.35  3.000
 JDH  H10  C26  N24  109.33  3.000
 JDH  C27  C26  N24  113.67  3.000
 JDH  H12  C28  C29  119.44  3.000
 JDH  H12  C28  C19  119.56  3.000
 JDH  C29  C28  C19  121.00  3.000
 JDH  C30  C02  N03  105.20  3.000
 JDH  N03  C02  N01  124.27  3.000
 JDH  C30  C02  N01  130.47  3.000
 JDH  H15  N03  N04  119.54  3.000
 JDH  H15  N03  C02  126.79  3.000
 JDH  N04  N03  C02  113.65  3.000
 JDH  C05  N04  N03  105.86  3.000
 JDH  C30  C05  C06  128.46  3.000
 JDH  C30  C05  N04  110.32  3.000
 JDH  C06  C05  N04  121.21  3.000
 JDH  C11  C06  C07  120.16  3.000
 JDH  C11  C06  C05  120.68  3.000
 JDH  C07  C06  C05  119.15  3.000
 JDH  H16  C07  C08  121.53  3.000
 JDH  H16  C07  C06  120.32  3.000
 JDH  C08  C07  C06  118.14  3.000
 JDH  N14  C08  C09  107.77  3.000
 JDH  C09  C08  C07  122.22  3.000
 JDH  N14  C08  C07  130.00  3.000
 JDH  C12  C09  C08  106.77  3.000
 JDH  C08  C09  C10  118.73  3.000
 JDH  C12  C09  C10  134.50  3.000
 JDH  H17  C11  C06  119.76  3.000
 JDH  H17  C11  C10  118.76  3.000
 JDH  C06  C11  C10  121.48  3.000
 JDH  H18  C12  C09  127.36  3.000
 JDH  H18  C12  C13  126.15  3.000
 JDH  C09  C12  C13  106.49  3.000
 JDH  C08  N14  C15  126.14  3.000
 JDH  C08  N14  C13  108.60  3.000
 JDH  C15  N14  C13  124.93  3.000
 JDH  C29  C16  C17  118.48  3.000
 JDH  C29  C16  C15  121.13  3.000
 JDH  C17  C16  C15  120.38  3.000
 JDH  H19  C18  C19  119.36  3.000
 JDH  H19  C18  C17  120.00  3.000
 JDH  C19  C18  C17  120.64  3.000
 JDH  C18  C19  C28  118.39  3.000
 JDH  C28  C19  C20  120.74  3.000
 JDH  C18  C19  C20  120.83  3.000
 JDH  C27  N21  C22  110.66  3.000
 JDH  C22  N21  C20  112.19  3.000
 JDH  C27  N21  C20  112.22  3.000
 JDH  H22  C23  H21  107.21  3.000
 JDH  H22  C23  N24  108.26  3.000
 JDH  H21  C23  N24  109.32  3.000
 JDH  H22  C23  C22  108.29  3.000
 JDH  H21  C23  C22  109.84  3.000
 JDH  N24  C23  C22  113.70  3.000
 JDH  C25  N24  C23  113.46  3.000
 JDH  C23  N24  C26  109.56  3.000
 JDH  C25  N24  C26  113.57  3.000
 JDH  H26  C25  H25  107.39  3.000
 JDH  H26  C25  H24  107.38  3.000
 JDH  H25  C25  H24  107.28  3.000
 JDH  H26  C25  N24  109.56  3.000
 JDH  H25  C25  N24  109.45  3.000
 JDH  H24  C25  N24  115.47  3.000
 JDH  H28  C27  H27  106.64  3.000
 JDH  H28  C27  N21  109.47  3.000
 JDH  H27  C27  N21  111.08  3.000
 JDH  H28  C27  C26  109.08  3.000
 JDH  H27  C27  C26  110.40  3.000
 JDH  N21  C27  C26  110.10  3.000
 JDH  H29  C29  C16  120.35  3.000
 JDH  H29  C29  C28  119.09  3.000
 JDH  C16  C29  C28  120.56  3.000
 JDH  C31  C30  C05  129.98  3.000
 JDH  C31  C30  C02  124.94  3.000
 JDH  C05  C30  C02  104.97  3.000
 JDH  N32  C31  C30  180.00  3.000
 JDH  H14  N01  H13  113.14  3.000
 JDH  H14  N01  C02  116.66  3.000
 JDH  H13  N01  C02  117.65  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
 JDH  CONST_01  C13  C12  C09  C10   180.00   0.0  0
 JDH  CONST_02  N14  C08  C09  C10   180.00   0.0  0
 JDH  CONST_03  C07  C08  C09  C10     0.00   0.0  0
 JDH  CONST_04  C07  C06  C11  C10     0.00   0.0  0
 JDH  CONST_05  C05  C06  C11  C10   180.00   0.0  0
 JDH  CONST_06  C08  C09  C12  C13     0.00   0.0  0
 JDH  CONST_07  C09  C08  N14  C13     0.00   0.0  0
 JDH  CONST_08  C07  C08  N14  C13   180.00   0.0  0
 JDH  CONST_09  C28  C19  C18  C17     0.00   0.0  0
 JDH  CONST_10  C28  C29  C16  C17     0.00   0.0  0
 JDH  CONST_11  C06  C05  C30  C02   180.00   0.0  0
 JDH  CONST_12  N04  C05  C30  C02     0.00   0.0  0
 JDH  CONST_13  C05  N04  N03  C02     0.00   0.0  0
 JDH  CONST_14  C06  C05  N04  N03   180.00   0.0  0
 JDH  CONST_15  C30  C05  N04  N03     0.00   0.0  0
 JDH  CONST_16  C05  C30  C02  N03     0.00   0.0  0
 JDH  CONST_19  C30  C02  N03  N04     0.00   0.0  0
 JDH  CONST_20  C08  C07  C06  C05   180.00   0.0  0
 JDH  CONST_21  N14  C08  C07  C06   180.00   0.0  0
 JDH  CONST_22  C09  C08  C07  C06     0.00   0.0  0
 JDH  CONST_23  C09  C10  C11  C06     0.00   0.0  0
 JDH  CONST_24  C12  C09  C08  C07   180.00   0.0  0
 JDH  CONST_26  C12  C13  N14  C08     0.00   0.0  0
 JDH  CONST_27  C11  C10  C09  C08     0.00   0.0  0
 JDH  CONST_28  C11  C06  C07  C08     0.00   0.0  0
 JDH  CONST_29  N14  C13  C12  C09     0.00   0.0  0
 JDH  CONST_30  C12  C09  C10  C11   180.00   0.0  0
 JDH  CONST_32  N14  C08  C09  C12     0.00   0.0  0
 JDH  CONST_33  C19  C18  C17  C16     0.00   0.0  0
 JDH  CONST_34  C19  C28  C29  C16     0.00   0.0  0
 JDH  CONST_35  C29  C28  C19  C18     0.00   0.0  0
 JDH  CONST_36  C29  C16  C17  C18     0.00   0.0  0
 JDH  CONST_37  C18  C17  C16  C15   180.00   0.0  0
 JDH  CONST_38  C28  C29  C16  C15   180.00   0.0  0
 JDH  CONST_39  C12  C13  N14  C15   180.00   0.0  0
 JDH  CONST_40  C09  C08  N14  C15   180.00   0.0  0
 JDH  CONST_41  C07  C08  N14  C15     0.00   0.0  0
 JDH  CONST_42  C20  C19  C18  C17   180.00   0.0  0
 JDH  CONST_43  C29  C28  C19  C20   180.00   0.0  0
 JDH  CONST_44  C05  C30  C02  N01   180.00   0.0  0
 JDH  CONST_45  N04  N03  C02  N01   180.00   0.0  0
 JDH  CONST_46  C31  C30  C02  N03   180.00   0.0  0
 JDH  CONST_47  C31  C30  C05  N04   180.00   0.0  0
 JDH  CONST_48  C31  C30  C05  C06     0.00   0.0  0
 JDH  CONST_49  H18  C12  C09  C10     0.00   0.0  0
 JDH  CONST_50  H29  C29  C16  C17   180.00   0.0  0
 JDH  CONST_51  H19  C18  C19  C28   180.00   0.0  0
 JDH  CONST_52  H16  C07  C06  C05     0.00   0.0  0
 JDH  CONST_53  H17  C11  C06  C05     0.00   0.0  0
 JDH  CONST_54  H15  N03  N04  C05   180.00   0.0  0
 JDH  CONST_55  H1   C10  C11  C06   180.00   0.0  0
 JDH  CONST_56  H2   C13  N14  C08   180.00   0.0  0
 JDH  CONST_57  H12  C28  C29  C16   180.00   0.0  0
 JDH  CONST_58  H5   C17  C18  C19   180.00   0.0  0
 JDH  Var_01    C26  C27  N21  C22    57.57  30.0  1
 JDH  Var_02    C26  N24  C23  C22   -52.44  30.0  1
 JDH  Var_03    N24  C26  C27  N21   -55.64  30.0  1
 JDH  Var_04    N24  C23  C22  N21    56.09  30.0  1
 JDH  Var_05    C27  C26  N24  C23    52.15  30.0  1
 JDH  Var_06    C27  N21  C22  C23   -57.70  30.0  1
 JDH  Var_07    C16  C15  N14  C13   -78.24  30.0  2
 JDH  Var_08    N14  C15  C16  C17   100.92  30.0  2
 JDH  Var_09    C19  C20  N21  C22  -163.31  30.0  2
 JDH  Var_10    N21  C20  C19  C28  -142.13  30.0  1
 JDH  Var_11    H24  C25  N24  C26    62.41  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
 JDH  plan-1  C02  0.020
 JDH  plan-1  N03  0.020
 JDH  plan-1  N04  0.020
 JDH  plan-1  C05  0.020
 JDH  plan-1  C06  0.020
 JDH  plan-1  C30  0.020
 JDH  plan-1  C31  0.020
 JDH  plan-1  N32  0.020
 JDH  plan-1  H15  0.020
 JDH  plan-1  N01  0.020
 JDH  plan-2  C15  0.020
 JDH  plan-2  C17  0.020
 JDH  plan-2  C20  0.020
 JDH  plan-2  C28  0.020
 JDH  plan-2  C16  0.020
 JDH  plan-2  C18  0.020
 JDH  plan-2  C19  0.020
 JDH  plan-2  C29  0.020
 JDH  plan-2  H5   0.020
 JDH  plan-2  H12  0.020
 JDH  plan-2  H19  0.020
 JDH  plan-2  H29  0.020
 JDH  plan-3  C10  0.020
 JDH  plan-3  C13  0.020
 JDH  plan-3  C15  0.020
 JDH  plan-3  C05  0.020
 JDH  plan-3  C06  0.020
 JDH  plan-3  C07  0.020
 JDH  plan-3  C08  0.020
 JDH  plan-3  C09  0.020
 JDH  plan-3  C11  0.020
 JDH  plan-3  C12  0.020
 JDH  plan-3  N14  0.020
 JDH  plan-3  H1   0.020
 JDH  plan-3  H2   0.020
 JDH  plan-3  H16  0.020
 JDH  plan-3  H17  0.020
 JDH  plan-3  H18  0.020
 JDH  plan-4  C02  0.020
 JDH  plan-4  H13  0.020
 JDH  plan-4  H14  0.020
 JDH  plan-4  N01  0.020

