# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 28 18:47:34 2020
#   Inital geometry file: a 152 line input string
#   Ligand name: 4-[(1R,3aS,4R,8aS,8bR)-2-(4-chlorobenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)[C@@H]1[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C(=O)N1Cc4ccc(Cl)cc4)c5ccc(cc5)C(N)=N
#
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
 ESH  ESH  4-[(1R,3aS,4R,8aS,8bR)-2-(4-chlorobenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide  ligand  63  32  .  2021-08-08  2021-08-08  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_ESH
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
 ESH  N1    N   N     0  -0.642  -5.3939   1.1393   -8.3647
 ESH  C3    C   C     0   0.325  -5.6330   1.3564   -7.1271
 ESH  N2    N   NH2   0  -0.806  -6.5854   2.2655   -6.7695
 ESH  C4    C   CR6   0  -0.004  -4.9736   0.6542   -5.9910
 ESH  C9    C   CR16  0  -0.278  -5.6380   0.4502   -4.7815
 ESH  C8    C   CR16  0  -0.287  -5.0012  -0.1828   -3.7273
 ESH  C7    C   CR6   0   0.120  -3.6893  -0.6284   -3.8449
 ESH  C6    C   CR16  0  -0.269  -3.0324  -0.4394   -5.0557
 ESH  C5    C   CR16  0  -0.259  -3.6653   0.1934   -6.1129
 ESH  C10   C   CH1   0  -0.087  -3.0093  -1.2837   -2.6690
 ESH  N11   N   NR5   0  -0.413  -1.5649  -1.0821   -2.7055
 ESH  C12   C   CH2   0  -0.328  -1.1207   0.1278   -2.0315
 ESH  C13   C   CH2   0  -0.474  -0.9963  -0.2260   -0.5293
 ESH  C14   C   CH2   0  -0.459  -0.9816  -1.7657   -0.4920
 ESH  C15   C   CR15  0  -0.107  -0.9456  -2.1774   -1.9760
 ESH  C16   C   CH1   0  -0.286  -1.7788  -3.3854   -2.3522
 ESH  C17   C   CH1   0   0.011  -1.3942  -4.0082   -3.7093
 ESH  N19   N   NT    0  -0.470  -2.6772  -4.1725   -4.3771
 ESH  C20   C   C     0   0.599  -3.7006  -3.5121   -3.8006
 ESH  O21   O   O     0  -0.484  -4.8471  -3.4924   -4.2134
 ESH  C22   C   CH1   0  -0.430  -3.1911  -2.8276   -2.5561
 ESH  C23   C   CH2   0  -0.436  -2.8316  -4.7973   -5.6738
 ESH  C24   C   CR6   0   0.174  -2.7559  -3.8012   -6.8020
 ESH  C32   C   CR16  0  -0.285  -3.9111  -3.3459   -7.4259
 ESH  C31   C   CR16  0  -0.202  -3.8514  -2.4162   -8.4530
 ESH  C30   C   CR6   0  -0.058  -2.6168  -1.9259   -8.8434
 ESH  C26   C   CR16  0  -0.199  -1.4473  -2.3598   -8.2399
 ESH  C25   C   CR16  0  -0.306  -1.5276  -3.3033   -7.2270
 ESH  C18   C   CH1   0  -0.278  -0.5972  -5.3139   -3.5997
 ESH  C41   C   CH3   0  -0.660   0.7176  -5.0714   -2.8643
 ESH  C42   C   CH3   0  -0.665  -1.3828  -6.4525   -2.9599
 ESH  CL30  CL  CL    0  -0.128  -2.5340  -0.7310  -10.1008
 ESH  H20   H   H     0   0.319  -4.7380   0.3769   -8.4787
 ESH  H12   H   HNH2  0   0.383  -6.9342   2.8505   -7.5122
 ESH  H11   H   HNH2  0   0.391  -6.4873   2.7396   -5.8875
 ESH  H5    H   HCR6  0   0.256  -6.6609   0.7811   -4.6538
 ESH  H6    H   HCR6  0   0.246  -5.5333  -0.3188   -2.7929
 ESH  H8    H   HCR6  0   0.242  -2.0076  -0.7666   -5.1663
 ESH  H9    H   HCR6  0   0.244  -3.1091   0.3575   -7.0274
 ESH  H10   H   HCH1  0   0.245  -3.4561  -0.8518   -1.7613
 ESH  H121  H   HCH2  0   0.242  -1.8072   0.9534   -2.2237
 ESH  H122  H   HCH2  0   0.238  -0.1475   0.4204   -2.4324
 ESH  H132  H   HCH2  0   0.236  -1.8355   0.1714    0.0421
 ESH  H131  H   HCH2  0   0.239  -0.0905   0.2058   -0.1034
 ESH  H141  H   HCH2  0   0.243  -0.1289  -2.1676    0.0562
 ESH  H142  H   HCH2  0   0.234  -1.8811  -2.1506   -0.0044
 ESH  H15   H   HCR5  0   0.249   0.0964  -2.2831   -2.2958
 ESH  H16   H   HCH1  0   0.274  -1.7635  -4.1470   -1.5711
 ESH  H17   H   HCH1  0   0.247  -0.7802  -3.2942   -4.2759
 ESH  H22   H   HCH1  0   0.291  -3.8677  -3.0486   -1.7305
 ESH  H231  H   HCH2  0   0.276  -3.7877  -5.3211   -5.6968
 ESH  H232  H   HCH2  0   0.277  -2.0593  -5.5578   -5.7904
 ESH  H29   H   HCR6  0   0.257  -4.8762  -3.7149   -7.1051
 ESH  H28   H   HCR6  0   0.277  -4.7591  -2.0814   -8.9378
 ESH  H26   H   HCR6  0   0.279  -0.4871  -1.9777   -8.5585
 ESH  H25   H   HCR6  0   0.257  -0.6100  -3.6595   -6.7743
 ESH  H18   H   HCH1  0   0.236  -0.3303  -5.6203   -4.6174
 ESH  H323  H   HCH3  0   0.224   0.5590  -4.8115   -1.8155
 ESH  H322  H   HCH3  0   0.240   1.3334  -5.9709   -2.8859
 ESH  H321  H   HCH3  0   0.230   1.2958  -4.2677   -3.3243
 ESH  H333  H   HCH3  0   0.224  -1.6743  -6.2213   -1.9338
 ESH  H332  H   HCH3  0   0.235  -0.7724  -7.3559   -2.9240
 ESH  H331  H   HCH3  0   0.238  -2.2912  -6.6954   -3.5124

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
 ESH  N1   C3    double    1.279  0.020  1.279
 ESH  N1   H20   single    0.890  0.020  1.040
 ESH  C3   N2    single    1.364  0.020  1.364
 ESH  C3   C4    single    1.490  0.020  1.490
 ESH  N2   H12   single    0.890  0.020  1.040
 ESH  N2   H11   single    0.890  0.020  1.040
 ESH  C4   C9    aromatic  1.395  0.020  1.395
 ESH  C4   C5    aromatic  1.392  0.020  1.392
 ESH  C9   C8    aromatic  1.385  0.020  1.385
 ESH  C9   H5    single    0.930  0.020  1.080
 ESH  C8   C7    aromatic  1.391  0.020  1.391
 ESH  C8   H6    single    0.930  0.020  1.080
 ESH  C7   C6    aromatic  1.390  0.020  1.390
 ESH  C7   C10   single    1.508  0.020  1.508
 ESH  C6   C5    aromatic  1.385  0.020  1.385
 ESH  C6   H8    single    0.930  0.020  1.080
 ESH  C5   H9    single    0.930  0.020  1.080
 ESH  C10  N11   single    1.459  0.020  1.459
 ESH  C10  C22   single    1.559  0.020  1.559
 ESH  C10  H10   single    0.970  0.020  1.090
 ESH  N11  C12   single    1.455  0.020  1.455
 ESH  N11  C15   single    1.454  0.020  1.454
 ESH  C12  C13   single    1.548  0.020  1.548
 ESH  C12  H121  single    0.970  0.020  1.090
 ESH  C12  H122  single    0.970  0.020  1.090
 ESH  C13  C14   single    1.540  0.020  1.540
 ESH  C13  H132  single    0.970  0.020  1.090
 ESH  C13  H131  single    0.970  0.020  1.090
 ESH  C14  C15   single    1.541  0.020  1.541
 ESH  C14  H141  single    0.970  0.020  1.090
 ESH  C14  H142  single    0.970  0.020  1.090
 ESH  C15  C16   single    1.515  0.020  1.515
 ESH  C15  H15   single    0.970  0.020  1.090
 ESH  C16  C17   single    1.542  0.020  1.542
 ESH  C16  C22   single    1.532  0.020  1.532
 ESH  C16  H16   single    0.970  0.020  1.090
 ESH  C17  N19   single    1.456  0.020  1.456
 ESH  C17  C18   single    1.534  0.020  1.534
 ESH  C17  H17   single    0.970  0.020  1.090
 ESH  N19  C20   single    1.348  0.020  1.348
 ESH  N19  C23   single    1.448  0.020  1.448
 ESH  C20  O21   double    1.219  0.020  1.219
 ESH  C20  C22   single    1.509  0.020  1.509
 ESH  C22  H22   single    0.970  0.020  1.090
 ESH  C23  C24   single    1.507  0.020  1.507
 ESH  C23  H231  single    0.970  0.020  1.090
 ESH  C23  H232  single    0.970  0.020  1.090
 ESH  C24  C32   aromatic  1.390  0.020  1.390
 ESH  C24  C25   aromatic  1.392  0.020  1.392
 ESH  C32  C31   aromatic  1.387  0.020  1.387
 ESH  C32  H29   single    0.930  0.020  1.080
 ESH  C31  C30   aromatic  1.385  0.020  1.385
 ESH  C31  H28   single    0.930  0.020  1.080
 ESH  C30  C26   aromatic  1.386  0.020  1.386
 ESH  C30  CL30  single    1.737  0.020  1.737
 ESH  C26  C25   aromatic  1.387  0.020  1.387
 ESH  C26  H26   single    0.930  0.020  1.080
 ESH  C25  H25   single    0.930  0.020  1.080
 ESH  C18  C41   single    1.526  0.020  1.526
 ESH  C18  C42   single    1.524  0.020  1.524
 ESH  C18  H18   single    0.970  0.020  1.090
 ESH  C41  H323  single    0.970  0.020  1.090
 ESH  C41  H322  single    0.970  0.020  1.090
 ESH  C41  H321  single    0.970  0.020  1.090
 ESH  C42  H333  single    0.970  0.020  1.090
 ESH  C42  H332  single    0.970  0.020  1.090
 ESH  C42  H331  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
 ESH  H20   N1   C3    110.97  3.000
 ESH  C4    C3   N2    115.04  3.000
 ESH  C4    C3   N1    125.12  3.000
 ESH  N2    C3   N1    119.81  3.000
 ESH  H11   N2   H12   113.97  3.000
 ESH  H11   N2   C3    118.40  3.000
 ESH  H12   N2   C3    115.80  3.000
 ESH  C5    C4   C9    118.37  3.000
 ESH  C5    C4   C3    120.34  3.000
 ESH  C9    C4   C3    121.29  3.000
 ESH  H5    C9   C8    118.97  3.000
 ESH  H5    C9   C4    120.50  3.000
 ESH  C8    C9   C4    120.52  3.000
 ESH  H6    C8   C7    119.72  3.000
 ESH  H6    C8   C9    119.21  3.000
 ESH  C7    C8   C9    121.06  3.000
 ESH  C10   C7   C6    121.67  3.000
 ESH  C10   C7   C8    119.92  3.000
 ESH  C6    C7   C8    118.41  3.000
 ESH  H8    C6   C5    119.55  3.000
 ESH  H8    C6   C7    119.71  3.000
 ESH  C5    C6   C7    120.72  3.000
 ESH  H9    C5   C6    118.63  3.000
 ESH  H9    C5   C4    120.43  3.000
 ESH  C6    C5   C4    120.90  3.000
 ESH  H10   C10  C22   106.36  3.000
 ESH  H10   C10  N11   111.63  3.000
 ESH  C22   C10  N11   104.72  3.000
 ESH  H10   C10  C7    106.84  3.000
 ESH  C22   C10  C7    115.74  3.000
 ESH  N11   C10  C7    111.52  3.000
 ESH  C15   N11  C12   105.31  3.000
 ESH  C15   N11  C10   107.76  3.000
 ESH  C12   N11  C10   113.93  3.000
 ESH  H122  C12  H121  107.05  3.000
 ESH  H122  C12  C13   110.22  3.000
 ESH  H121  C12  C13   113.24  3.000
 ESH  H122  C12  N11   108.95  3.000
 ESH  H121  C12  N11   110.84  3.000
 ESH  C13   C12  N11   106.50  3.000
 ESH  H131  C13  H132  106.89  3.000
 ESH  H131  C13  C14   112.25  3.000
 ESH  H132  C13  C14   111.04  3.000
 ESH  H131  C13  C12   110.81  3.000
 ESH  H132  C13  C12   111.30  3.000
 ESH  C14   C13  C12   104.64  3.000
 ESH  H142  C14  H141  106.82  3.000
 ESH  H142  C14  C15   110.78  3.000
 ESH  H141  C14  C15   111.56  3.000
 ESH  H142  C14  C13   110.79  3.000
 ESH  H141  C14  C13   112.83  3.000
 ESH  C15   C14  C13   104.13  3.000
 ESH  H15   C15  C16   111.95  3.000
 ESH  H15   C15  C14   109.23  3.000
 ESH  C16   C15  C14   116.07  3.000
 ESH  H15   C15  N11   109.35  3.000
 ESH  C16   C15  N11   103.99  3.000
 ESH  C14   C15  N11   105.78  3.000
 ESH  H16   C16  C22   111.25  3.000
 ESH  H16   C16  C17   110.16  3.000
 ESH  C22   C16  C17   105.06  3.000
 ESH  H16   C16  C15   111.79  3.000
 ESH  C22   C16  C15   104.46  3.000
 ESH  C17   C16  C15   113.79  3.000
 ESH  H17   C17  C18   107.44  3.000
 ESH  H17   C17  N19   109.22  3.000
 ESH  C18   C17  N19   113.25  3.000
 ESH  H17   C17  C16   109.31  3.000
 ESH  C18   C17  C16   114.24  3.000
 ESH  N19   C17  C16   103.27  3.000
 ESH  C23   N19  C20   120.91  3.000
 ESH  C23   N19  C17   123.62  3.000
 ESH  C20   N19  C17   114.70  3.000
 ESH  C22   C20  O21   126.13  3.000
 ESH  C22   C20  N19   108.59  3.000
 ESH  O21   C20  N19   125.28  3.000
 ESH  H22   C22  C20   108.85  3.000
 ESH  H22   C22  C16   113.42  3.000
 ESH  C20   C22  C16   104.82  3.000
 ESH  H22   C22  C10   109.15  3.000
 ESH  C20   C22  C10   115.40  3.000
 ESH  C16   C22  C10   105.23  3.000
 ESH  H232  C23  H231  106.48  3.000
 ESH  H232  C23  C24   110.21  3.000
 ESH  H231  C23  C24   110.23  3.000
 ESH  H232  C23  N19   108.75  3.000
 ESH  H231  C23  N19   108.65  3.000
 ESH  C24   C23  N19   112.34  3.000
 ESH  C25   C24  C32   118.64  3.000
 ESH  C25   C24  C23   120.62  3.000
 ESH  C32   C24  C23   120.73  3.000
 ESH  H29   C32  C31   119.12  3.000
 ESH  H29   C32  C24   119.78  3.000
 ESH  C31   C32  C24   121.10  3.000
 ESH  H28   C31  C30   120.80  3.000
 ESH  H28   C31  C32   120.21  3.000
 ESH  C30   C31  C32   118.99  3.000
 ESH  CL30  C30  C26   119.38  3.000
 ESH  CL30  C30  C31   119.36  3.000
 ESH  C26   C30  C31   121.25  3.000
 ESH  H26   C26  C25   120.46  3.000
 ESH  H26   C26  C30   120.69  3.000
 ESH  C25   C26  C30   118.84  3.000
 ESH  H25   C25  C26   118.68  3.000
 ESH  H25   C25  C24   120.15  3.000
 ESH  C26   C25  C24   121.17  3.000
 ESH  H18   C18  C42   107.85  3.000
 ESH  H18   C18  C41   106.39  3.000
 ESH  C42   C18  C41   111.14  3.000
 ESH  H18   C18  C17   107.35  3.000
 ESH  C42   C18  C17   113.46  3.000
 ESH  C41   C18  C17   110.30  3.000
 ESH  H321  C41  H322  107.44  3.000
 ESH  H321  C41  H323  107.85  3.000
 ESH  H322  C41  H323  107.30  3.000
 ESH  H321  C41  C18   111.73  3.000
 ESH  H322  C41  C18   110.24  3.000
 ESH  H323  C41  C18   112.06  3.000
 ESH  H331  C42  H332  107.35  3.000
 ESH  H331  C42  H333  107.51  3.000
 ESH  H332  C42  H333  107.09  3.000
 ESH  H331  C42  C18   112.53  3.000
 ESH  H332  C42  C18   110.13  3.000
 ESH  H333  C42  C18   111.97  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
 ESH  CONST_01  C7    C8   C9   C4      0.00   0.0  0
 ESH  CONST_02  C7    C6   C5   C4      0.00   0.0  0
 ESH  CONST_03  C6    C5   C4   C9      0.00   0.0  0
 ESH  CONST_04  C6    C7   C8   C9      0.00   0.0  0
 ESH  CONST_05  C5    C4   C9   C8      0.00   0.0  0
 ESH  CONST_06  C5    C6   C7   C8      0.00   0.0  0
 ESH  CONST_07  C30   C31  C32  C24     0.00   0.0  0
 ESH  CONST_08  C30   C26  C25  C24     0.00   0.0  0
 ESH  CONST_09  C26   C25  C24  C32     0.00   0.0  0
 ESH  CONST_10  C26   C30  C31  C32     0.00   0.0  0
 ESH  CONST_11  C25   C24  C32  C31     0.00   0.0  0
 ESH  CONST_12  C25   C26  C30  C31     0.00   0.0  0
 ESH  CONST_13  C10   C7   C8   C9    180.00   0.0  0
 ESH  CONST_14  C10   C7   C6   C5    180.00   0.0  0
 ESH  CONST_15  C22   C20  N19  C17     0.00   0.0  0
 ESH  CONST_16  C8    C9   C4   C3    180.00   0.0  0
 ESH  CONST_17  C6    C5   C4   C3    180.00   0.0  0
 ESH  CONST_18  C31   C32  C24  C23   180.00   0.0  0
 ESH  CONST_19  C26   C25  C24  C23   180.00   0.0  0
 ESH  CONST_20  CL30  C30  C31  C32   180.00   0.0  0
 ESH  CONST_21  CL30  C30  C26  C25   180.00   0.0  0
 ESH  CONST_22  O21   C20  N19  C17   180.00   0.0  0
 ESH  CONST_23  C23   N19  C20  C22   180.00   0.0  0
 ESH  CONST_24  H6    C8   C9   C4    180.00   0.0  0
 ESH  CONST_25  H8    C6   C5   C4    180.00   0.0  0
 ESH  CONST_26  H9    C5   C4   C9    180.00   0.0  0
 ESH  CONST_27  H5    C9   C8   C7    180.00   0.0  0
 ESH  CONST_28  H28   C31  C32  C24   180.00   0.0  0
 ESH  CONST_29  H26   C26  C25  C24   180.00   0.0  0
 ESH  CONST_30  H25   C25  C24  C32   180.00   0.0  0
 ESH  CONST_31  H29   C32  C31  C30   180.00   0.0  0
 ESH  CONST_32  C23   N19  C20  O21     0.00   0.0  0
 ESH  CONST_33  H20   N1   C3   C4      0.00   0.0  0
 ESH  CONST_34  H12   N2   C3   C4    180.00   0.0  0
 ESH  Var_01    C13   C12  N11  C10    84.01  30.0  1
 ESH  Var_02    C14   C13  C12  N11    16.56  30.0  1
 ESH  Var_03    C15   C14  C13  C12     5.86  30.0  1
 ESH  Var_04    C24   C23  N19  C17   -91.06  30.0  3
 ESH  Var_05    C32   C24  C23  N19  -101.26  30.0  2
 ESH  Var_06    C9    C4   C3   N1   -149.84  30.0  2
 ESH  Var_07    H323  C41  C18  C17    67.00  30.0  3
 ESH  Var_08    H333  C42  C18  C17   -61.89  30.0  3

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
 ESH  chir_01  C10  C7   N11  C22  positiv
 ESH  chir_02  C15  N11  C14  C16  negativ
 ESH  chir_03  C16  C15  C17  C22  positiv
 ESH  chir_04  C17  N19  C16  C18  negativ
 ESH  chir_05  C22  C20  C16  C10  negativ

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
 ESH  plan-1  C3    0.020
 ESH  plan-1  C4    0.020
 ESH  plan-1  C9    0.020
 ESH  plan-1  C8    0.020
 ESH  plan-1  C7    0.020
 ESH  plan-1  C6    0.020
 ESH  plan-1  C5    0.020
 ESH  plan-1  C10   0.020
 ESH  plan-1  H5    0.020
 ESH  plan-1  H6    0.020
 ESH  plan-1  H8    0.020
 ESH  plan-1  H9    0.020
 ESH  plan-2  C23   0.020
 ESH  plan-2  C24   0.020
 ESH  plan-2  C32   0.020
 ESH  plan-2  C31   0.020
 ESH  plan-2  C30   0.020
 ESH  plan-2  C26   0.020
 ESH  plan-2  C25   0.020
 ESH  plan-2  CL30  0.020
 ESH  plan-2  H29   0.020
 ESH  plan-2  H28   0.020
 ESH  plan-2  H26   0.020
 ESH  plan-2  H25   0.020
 ESH  plan-3  N1    0.020
 ESH  plan-3  C3    0.020
 ESH  plan-3  N2    0.020
 ESH  plan-3  C4    0.020
 ESH  plan-3  H20   0.020
 ESH  plan-3  H12   0.020
 ESH  plan-3  H11   0.020
 ESH  plan-4  C17   0.020
 ESH  plan-4  N19   0.020
 ESH  plan-4  C20   0.020
 ESH  plan-4  O21   0.020
 ESH  plan-4  C22   0.020
 ESH  plan-4  C23   0.020

