# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed May  6 16:24:24 2020
#   Inital geometry file: a 157 line input string
#   Ligand name: 3-[3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cn1nc(C)c(c1C)c2cccc3c(CCCO[C@@H]4CCCc5ccccc45)c([nH]c23)C(O)=O
#
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
 HVN  HVN  '3-[3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid'  ligand  64  34  .  2021-08-11  2021-08-11  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_HVN
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
 HVN  C1   C  CR5    0   0.253   6.1154   0.2660  -0.0625
 HVN  C2   C  CH3    0  -0.520   7.8143  -1.5001   2.4200
 HVN  C3   C  CR5    0   0.418   5.7032  -1.5834   1.0847
 HVN  C7   C  CR16   0  -0.371   3.6747  -2.0860  -1.4342
 HVN  C8   C  CR16   0  -0.256   2.4684  -2.2486  -2.1364
 HVN  C9   C  CR16   0  -0.393   1.4709  -1.2961  -2.0744
 HVN  C10  C  CR56   0   0.050   1.6746  -0.1573  -1.2842
 HVN  C11  C  CR5    0   0.028   0.8741   0.9875  -0.9708
 HVN  C12  C  CH2    0  -0.522  -0.5146   1.2292  -1.4634
 HVN  C13  C  CH2    0  -0.454  -1.5703   0.6329  -0.5318
 HVN  C14  C  CH2    0  -0.135  -2.9760   0.9247  -1.0153
 HVN  C15  C  CH1    0   0.046  -5.2407   0.3868  -0.5388
 HVN  C16  C  CH2    0  -0.475  -5.8670   1.7684  -0.3948
 HVN  C19  C  CR6    0   0.076  -7.3257  -0.4625   0.6415
 HVN  C20  C  CR16   0  -0.301  -7.9904  -1.4816   1.3252
 HVN  C21  C  CR16   0  -0.256  -7.3677  -2.6836   1.6141
 HVN  C22  C  CR16   0  -0.261  -6.0528  -2.8859   1.2126
 HVN  C24  C  CR6    0   0.027  -6.0023  -0.6670   0.2405
 HVN  O1   O  OC    -1  -0.604   2.2405   3.4789   1.3319
 HVN  O2   O  O      0  -0.576   0.2015   3.5530   0.4198
 HVN  C25  C  CR5    0   0.076   1.6149   1.7498  -0.0983
 HVN  N2   N  NR15   0  -0.728   2.8244   1.1374   0.1183
 HVN  C26  C  CR56   0   0.289   2.8940  -0.0215  -0.5823
 HVN  C6   C  CR6    0   0.018   3.9219  -0.9717  -0.6464
 HVN  C5   C  CR5    0  -0.231   5.1763  -0.7798   0.0882
 HVN  C4   C  CH3    0  -0.750   5.1779  -2.8319   1.6965
 HVN  N1   N  NR5    0  -0.323   6.8589  -1.0033   1.4608
 HVN  N    N  N      0  -0.315   7.1273   0.1063   0.7693
 HVN  C    C  CH3    0  -0.744   6.0611   1.4128  -1.0135
 HVN  O    O  O2     0  -0.498  -3.8977   0.3542  -0.1136
 HVN  C23  C  CR16   0  -0.292  -5.3823  -1.8838   0.5314
 HVN  C18  C  CH2    0  -0.497  -8.0439   0.8382   0.3836
 HVN  C17  C  CH2    0  -0.453  -7.3598   1.6923  -0.6725
 HVN  H1   H  HCH3   0   0.253   8.5696  -2.1236   1.9408
 HVN  H2   H  HCH3   0   0.264   8.3031  -0.6596   2.9049
 HVN  H3   H  HCH3   0   0.259   7.3052  -2.0900   3.1777
 HVN  H4   H  HCR6   0   0.239   4.4421  -2.8460  -1.5203
 HVN  H5   H  HCR6   0   0.241   2.3283  -3.1363  -2.7400
 HVN  H6   H  HCR6   0   0.236   0.5470  -1.4320  -2.6246
 HVN  H7   H  HCH2   0   0.237  -0.6924   2.3002  -1.5610
 HVN  H8   H  HCH2   0   0.221  -0.6278   0.7972  -2.4630
 HVN  H9   H  HCH2   0   0.221  -1.4273  -0.4485  -0.4499
 HVN  H10  H  HCH2   0   0.228  -1.4313   1.0534   0.4671
 HVN  H11  H  HCH2   0   0.195  -3.1162   2.0114  -1.0969
 HVN  H12  H  HCH2   0   0.193  -3.1248   0.5118  -2.0242
 HVN  H13  H  HCH1   0   0.211  -5.2865   0.1072  -1.6053
 HVN  H14  H  HCH2   0   0.226  -5.6950   2.1377   0.6218
 HVN  H15  H  HCH2   0   0.242  -5.3855   2.4716  -1.0776
 HVN  H16  H  HCR6   0   0.244  -9.0164  -1.3210   1.6368
 HVN  H17  H  HCR6   0   0.250  -7.9036  -3.4591   2.1464
 HVN  H18  H  HCR6   0   0.249  -5.5529  -3.8214   1.4296
 HVN  H20  H  HNR5   0   0.390   3.5166   1.5068   0.7490
 HVN  H21  H  HCH3   0   0.258   5.0345  -2.7256   2.7733
 HVN  H22  H  HCH3   0   0.262   4.2159  -3.0821   1.2548
 HVN  H23  H  HCH3   0   0.258   5.8498  -3.6768   1.5378
 HVN  H24  H  HCH3   0   0.240   5.4409   2.2291  -0.6378
 HVN  H25  H  HCH3   0   0.250   7.0568   1.8170  -1.1909
 HVN  H26  H  HCH3   0   0.242   5.6409   1.1064  -1.9712
 HVN  H27  H  HCR6   0   0.246  -4.3594  -2.0496   0.2199
 HVN  H28  H  HCH2   0   0.248  -9.0801   0.6359   0.1028
 HVN  H29  H  HCH2   0   0.244  -8.0916   1.4010   1.3221
 HVN  H30  H  HCH2   0   0.242  -7.7981   2.6913  -0.6857
 HVN  H31  H  HCH2   0   0.226  -7.5285   1.2663  -1.6668
 HVN  C27  C  C      0   0.358   1.3206   3.0426   0.6094

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
 HVN  C18  C17  single    1.521  0.020  1.521
 HVN  C18  C19  single    1.508  0.020  1.508
 HVN  C17  C16  single    1.520  0.020  1.520
 HVN  C20  C19  aromatic  1.396  0.020  1.396
 HVN  C20  C21  aromatic  1.384  0.020  1.384
 HVN  C19  C24  aromatic  1.398  0.020  1.398
 HVN  C21  C22  aromatic  1.390  0.020  1.390
 HVN  C16  C15  single    1.524  0.020  1.524
 HVN  C24  C15  single    1.516  0.020  1.516
 HVN  C24  C23  aromatic  1.396  0.020  1.396
 HVN  C15  O    single    1.409  0.020  1.409
 HVN  C22  C23  aromatic  1.385  0.020  1.385
 HVN  O    C14  single    1.410  0.020  1.410
 HVN  C14  C13  single    1.515  0.020  1.515
 HVN  C8   C9   aromatic  1.381  0.020  1.381
 HVN  C8   C7   aromatic  1.405  0.020  1.405
 HVN  C    C1   single    1.491  0.020  1.491
 HVN  C9   C10  aromatic  1.401  0.020  1.401
 HVN  C7   C6   aromatic  1.387  0.020  1.387
 HVN  C13  C12  single    1.529  0.020  1.529
 HVN  C10  C26  aromatic  1.413  0.020  1.413
 HVN  C10  C11  aromatic  1.432  0.020  1.432
 HVN  C6   C26  aromatic  1.401  0.020  1.401
 HVN  C6   C5   single    1.466  0.020  1.466
 HVN  C1   C5   aromatic  1.414  0.020  1.414
 HVN  C1   N    aromatic  1.320  0.020  1.320
 HVN  C12  C11  single    1.493  0.020  1.493
 HVN  C26  N2   aromatic  1.356  0.020  1.356
 HVN  C5   C3   aromatic  1.384  0.020  1.384
 HVN  C11  C25  aromatic  1.375  0.020  1.375
 HVN  N    N1   aromatic  1.335  0.020  1.335
 HVN  N2   C25  aromatic  1.373  0.020  1.373
 HVN  C25  C27  single    1.503  0.020  1.503
 HVN  C3   N1   aromatic  1.347  0.020  1.347
 HVN  C3   C4   single    1.486  0.020  1.486
 HVN  N1   C2   single    1.442  0.020  1.442
 HVN  O2   C27  deloc     1.245  0.020  1.245
 HVN  C27  O1   deloc     1.248  0.020  1.248
 HVN  C2   H1   single    0.970  0.020  1.090
 HVN  C2   H2   single    0.970  0.020  1.090
 HVN  C2   H3   single    0.970  0.020  1.090
 HVN  C7   H4   single    0.930  0.020  1.080
 HVN  C8   H5   single    0.930  0.020  1.080
 HVN  C9   H6   single    0.930  0.020  1.080
 HVN  C12  H7   single    0.970  0.020  1.090
 HVN  C12  H8   single    0.970  0.020  1.090
 HVN  C13  H9   single    0.970  0.020  1.090
 HVN  C13  H10  single    0.970  0.020  1.090
 HVN  C14  H11  single    0.970  0.020  1.090
 HVN  C14  H12  single    0.970  0.020  1.090
 HVN  C15  H13  single    0.970  0.020  1.090
 HVN  C16  H14  single    0.970  0.020  1.090
 HVN  C16  H15  single    0.970  0.020  1.090
 HVN  C20  H16  single    0.930  0.020  1.080
 HVN  C21  H17  single    0.930  0.020  1.080
 HVN  C22  H18  single    0.930  0.020  1.080
 HVN  N2   H20  single    0.860  0.020  1.020
 HVN  C4   H21  single    0.970  0.020  1.090
 HVN  C4   H22  single    0.970  0.020  1.090
 HVN  C4   H23  single    0.970  0.020  1.090
 HVN  C    H24  single    0.970  0.020  1.090
 HVN  C    H25  single    0.970  0.020  1.090
 HVN  C    H26  single    0.970  0.020  1.090
 HVN  C23  H27  single    0.930  0.020  1.080
 HVN  C18  H28  single    0.970  0.020  1.090
 HVN  C18  H29  single    0.970  0.020  1.090
 HVN  C17  H30  single    0.970  0.020  1.090
 HVN  C17  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
 HVN  C    C1   N    121.54  3.000
 HVN  N    C1   C5   110.65  3.000
 HVN  C    C1   C5   127.80  3.000
 HVN  H3   C2   H2   108.63  3.000
 HVN  H3   C2   H1   108.69  3.000
 HVN  H2   C2   H1   109.08  3.000
 HVN  H3   C2   N1   109.90  3.000
 HVN  H2   C2   N1   109.17  3.000
 HVN  H1   C2   N1   111.32  3.000
 HVN  N1   C3   C4   123.38  3.000
 HVN  C4   C3   C5   130.50  3.000
 HVN  N1   C3   C5   106.12  3.000
 HVN  H4   C7   C6   118.85  3.000
 HVN  H4   C7   C8   119.16  3.000
 HVN  C6   C7   C8   121.99  3.000
 HVN  H5   C8   C9   119.82  3.000
 HVN  H5   C8   C7   118.99  3.000
 HVN  C9   C8   C7   121.20  3.000
 HVN  H6   C9   C10  120.81  3.000
 HVN  H6   C9   C8   120.44  3.000
 HVN  C10  C9   C8   118.75  3.000
 HVN  C26  C10  C11  107.27  3.000
 HVN  C11  C10  C9   133.80  3.000
 HVN  C26  C10  C9   118.92  3.000
 HVN  C25  C11  C12  128.35  3.000
 HVN  C25  C11  C10  106.32  3.000
 HVN  C12  C11  C10  125.26  3.000
 HVN  H8   C12  H7   106.80  3.000
 HVN  H8   C12  C13  109.33  3.000
 HVN  H7   C12  C13  108.97  3.000
 HVN  H8   C12  C11  109.48  3.000
 HVN  H7   C12  C11  109.90  3.000
 HVN  C13  C12  C11  112.21  3.000
 HVN  H10  C13  H9   107.18  3.000
 HVN  H10  C13  C14  109.62  3.000
 HVN  H9   C13  C14  109.61  3.000
 HVN  H10  C13  C12  108.61  3.000
 HVN  H9   C13  C12  109.93  3.000
 HVN  C14  C13  C12  111.78  3.000
 HVN  H12  C14  H11  106.61  3.000
 HVN  H12  C14  O    110.25  3.000
 HVN  H11  C14  O    111.36  3.000
 HVN  H12  C14  C13  110.24  3.000
 HVN  H11  C14  C13  109.43  3.000
 HVN  O    C14  C13  108.94  3.000
 HVN  H13  C15  O    108.99  3.000
 HVN  H13  C15  C24  107.45  3.000
 HVN  O    C15  C24  107.92  3.000
 HVN  H13  C15  C16  107.70  3.000
 HVN  O    C15  C16  112.60  3.000
 HVN  C24  C15  C16  112.04  3.000
 HVN  H15  C16  H14  107.10  3.000
 HVN  H15  C16  C17  110.55  3.000
 HVN  H14  C16  C17  109.92  3.000
 HVN  H15  C16  C15  110.10  3.000
 HVN  H14  C16  C15  109.20  3.000
 HVN  C17  C16  C15  109.93  3.000
 HVN  C18  C19  C24  121.87  3.000
 HVN  C24  C19  C20  118.99  3.000
 HVN  C18  C19  C20  119.13  3.000
 HVN  H16  C20  C21  119.63  3.000
 HVN  H16  C20  C19  118.90  3.000
 HVN  C21  C20  C19  121.47  3.000
 HVN  H17  C21  C22  120.41  3.000
 HVN  H17  C21  C20  120.13  3.000
 HVN  C22  C21  C20  119.46  3.000
 HVN  H18  C22  C23  120.02  3.000
 HVN  H18  C22  C21  120.32  3.000
 HVN  C23  C22  C21  119.66  3.000
 HVN  C23  C24  C19  119.21  3.000
 HVN  C23  C24  C15  119.33  3.000
 HVN  C19  C24  C15  121.43  3.000
 HVN  N2   C25  C27  118.81  3.000
 HVN  C27  C25  C11  132.08  3.000
 HVN  N2   C25  C11  109.11  3.000
 HVN  H20  N2   C26  127.02  3.000
 HVN  H20  N2   C25  122.74  3.000
 HVN  C26  N2   C25  110.17  3.000
 HVN  C6   C26  N2   129.85  3.000
 HVN  N2   C26  C10  107.12  3.000
 HVN  C6   C26  C10  123.02  3.000
 HVN  C5   C6   C26  121.06  3.000
 HVN  C5   C6   C7   122.83  3.000
 HVN  C26  C6   C7   116.11  3.000
 HVN  C6   C5   C3   127.61  3.000
 HVN  C3   C5   C1   104.67  3.000
 HVN  C6   C5   C1   127.72  3.000
 HVN  H23  C4   H22  107.91  3.000
 HVN  H23  C4   H21  107.44  3.000
 HVN  H22  C4   H21  107.87  3.000
 HVN  H23  C4   C3   111.90  3.000
 HVN  H22  C4   C3   109.80  3.000
 HVN  H21  C4   C3   111.76  3.000
 HVN  N    N1   C3   112.70  3.000
 HVN  C3   N1   C2   127.29  3.000
 HVN  N    N1   C2   119.85  3.000
 HVN  N1   N    C1   105.84  3.000
 HVN  H26  C    H25  108.28  3.000
 HVN  H26  C    H24  107.07  3.000
 HVN  H25  C    H24  107.34  3.000
 HVN  H26  C    C1   111.00  3.000
 HVN  H25  C    C1   110.86  3.000
 HVN  H24  C    C1   112.10  3.000
 HVN  C15  O    C14  114.88  3.000
 HVN  H27  C23  C24  119.56  3.000
 HVN  H27  C23  C22  119.24  3.000
 HVN  C24  C23  C22  121.21  3.000
 HVN  H29  C18  H28  105.90  3.000
 HVN  H29  C18  C17  109.03  3.000
 HVN  H28  C18  C17  110.62  3.000
 HVN  H29  C18  C19  108.50  3.000
 HVN  H28  C18  C19  109.63  3.000
 HVN  C17  C18  C19  112.89  3.000
 HVN  H31  C17  H30  106.46  3.000
 HVN  H31  C17  C18  110.05  3.000
 HVN  H30  C17  C18  110.00  3.000
 HVN  H31  C17  C16  109.68  3.000
 HVN  H30  C17  C16  110.54  3.000
 HVN  C18  C17  C16  110.06  3.000
 HVN  C25  C27  O2   117.20  3.000
 HVN  O2   C27  O1   127.40  3.000
 HVN  C25  C27  O1   115.40  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
 HVN  CONST_03  N1   C3   C5   C1      0.00   0.0  0
 HVN  CONST_04  C3   N1   N    C1      0.00   0.0  0
 HVN  CONST_07  N    C1   C5   C3      0.00   0.0  0
 HVN  CONST_08  C10  C9   C8   C7      0.00   0.0  0
 HVN  CONST_09  C10  C26  C6   C7      0.00   0.0  0
 HVN  CONST_10  N2   C26  C6   C7    180.00   0.0  0
 HVN  CONST_11  C26  C10  C9   C8      0.00   0.0  0
 HVN  CONST_12  C11  C10  C9   C8    180.00   0.0  0
 HVN  CONST_13  C26  C6   C7   C8      0.00   0.0  0
 HVN  CONST_14  C5   C6   C7   C8    180.00   0.0  0
 HVN  CONST_15  C6   C7   C8   C9      0.00   0.0  0
 HVN  CONST_16  C6   C26  C10  C9      0.00   0.0  0
 HVN  CONST_17  N2   C26  C10  C9    180.00   0.0  0
 HVN  CONST_18  C25  C11  C10  C9    180.00   0.0  0
 HVN  CONST_19  C5   C6   C26  C10   180.00   0.0  0
 HVN  CONST_20  C25  N2   C26  C10     0.00   0.0  0
 HVN  CONST_21  N2   C25  C11  C10     0.00   0.0  0
 HVN  CONST_22  C6   C26  C10  C11   180.00   0.0  0
 HVN  CONST_23  N2   C26  C10  C11     0.00   0.0  0
 HVN  CONST_24  C26  N2   C25  C11     0.00   0.0  0
 HVN  CONST_25  C22  C21  C20  C19     0.00   0.0  0
 HVN  CONST_26  C22  C23  C24  C19     0.00   0.0  0
 HVN  CONST_27  C23  C24  C19  C20     0.00   0.0  0
 HVN  CONST_28  C23  C22  C21  C20     0.00   0.0  0
 HVN  CONST_29  C24  C19  C20  C21     0.00   0.0  0
 HVN  CONST_30  C24  C23  C22  C21     0.00   0.0  0
 HVN  CONST_31  C26  C10  C11  C25     0.00   0.0  0
 HVN  CONST_32  C6   C26  N2   C25   180.00   0.0  0
 HVN  CONST_33  C5   C6   C26  N2      0.00   0.0  0
 HVN  CONST_34  N    C1   C5   C6    180.00   0.0  0
 HVN  CONST_35  N1   C3   C5   C6    180.00   0.0  0
 HVN  CONST_36  N1   N    C1   C5      0.00   0.0  0
 HVN  CONST_37  N    N1   C3   C5      0.00   0.0  0
 HVN  CONST_38  C4   C3   C5   C1    180.00   0.0  0
 HVN  CONST_39  C2   N1   N    C1    180.00   0.0  0
 HVN  CONST_40  C5   C3   N1   C2    180.00   0.0  0
 HVN  CONST_41  C    C1   C5   C3    180.00   0.0  0
 HVN  CONST_42  C12  C11  C10  C9      0.00   0.0  0
 HVN  CONST_43  C27  C25  C11  C10   180.00   0.0  0
 HVN  CONST_44  C26  C10  C11  C12   180.00   0.0  0
 HVN  CONST_45  N2   C25  C11  C12   180.00   0.0  0
 HVN  CONST_46  C26  N2   C25  C27   180.00   0.0  0
 HVN  CONST_47  C    C1   C5   C6      0.00   0.0  0
 HVN  CONST_48  C4   C3   C5   C6      0.00   0.0  0
 HVN  CONST_49  N    N1   C3   C4    180.00   0.0  0
 HVN  CONST_50  C    C1   N    N1    180.00   0.0  0
 HVN  CONST_51  H6   C9   C8   C7    180.00   0.0  0
 HVN  CONST_52  H4   C7   C8   C9    180.00   0.0  0
 HVN  CONST_53  H5   C8   C9   C10   180.00   0.0  0
 HVN  CONST_54  H20  N2   C26  C10   180.00   0.0  0
 HVN  CONST_55  H27  C23  C24  C15     0.00   0.0  0
 HVN  CONST_56  H17  C21  C20  C19   180.00   0.0  0
 HVN  CONST_57  H18  C22  C21  C20   180.00   0.0  0
 HVN  CONST_58  H16  C20  C21  C22   180.00   0.0  0
 HVN  Var_01    C18  C17  C16  C15    64.83  30.0  1
 HVN  Var_02    C19  C18  C17  C16   -47.10  30.0  1
 HVN  Var_03    C17  C18  C19  C20  -164.42  30.0  1
 HVN  Var_04    C13  C12  C11  C10    89.19  30.0  2
 HVN  Var_05    O2   C27  C25  C11     1.21  30.0  2
 HVN  Var_06    H1   C2   N1   C3     90.39  30.0  2
 HVN  Var_07    H24  C    C1   C5     82.81  30.0  2
 HVN  Var_08    H21  C4   C3   C5   -120.92  30.0  2
 HVN  Var_09    C14  C13  C12  C11   178.04  30.0  1
 HVN  Var_10    H11  C14  O    C15    67.73  30.0  3
 HVN  Var_11    O    C14  C13  C12  -179.79  30.0  1

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
 HVN  chir_01  C15  C16  C24  O  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
 HVN  plan-1  C1   0.020
 HVN  plan-1  C2   0.020
 HVN  plan-1  C3   0.020
 HVN  plan-1  C6   0.020
 HVN  plan-1  C5   0.020
 HVN  plan-1  C4   0.020
 HVN  plan-1  N1   0.020
 HVN  plan-1  N    0.020
 HVN  plan-1  C    0.020
 HVN  plan-2  C7   0.020
 HVN  plan-2  C8   0.020
 HVN  plan-2  C9   0.020
 HVN  plan-2  C10  0.020
 HVN  plan-2  C11  0.020
 HVN  plan-2  C12  0.020
 HVN  plan-2  C25  0.020
 HVN  plan-2  N2   0.020
 HVN  plan-2  C26  0.020
 HVN  plan-2  C6   0.020
 HVN  plan-2  C5   0.020
 HVN  plan-2  H4   0.020
 HVN  plan-2  H5   0.020
 HVN  plan-2  H6   0.020
 HVN  plan-2  H20  0.020
 HVN  plan-2  C27  0.020
 HVN  plan-3  C15  0.020
 HVN  plan-3  C19  0.020
 HVN  plan-3  C20  0.020
 HVN  plan-3  C21  0.020
 HVN  plan-3  C22  0.020
 HVN  plan-3  C24  0.020
 HVN  plan-3  C23  0.020
 HVN  plan-3  C18  0.020
 HVN  plan-3  H16  0.020
 HVN  plan-3  H17  0.020
 HVN  plan-3  H18  0.020
 HVN  plan-3  H27  0.020
 HVN  plan-4  O1   0.020
 HVN  plan-4  O2   0.020
 HVN  plan-4  C25  0.020
 HVN  plan-4  C27  0.020

