# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr 26 22:33:07 2020
#   Inital geometry file: a 150 line input string
#   Ligand name: N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-L-tryptophanamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1ccc2[nH]cc(C[C@H](N)C(=O)NC3CCN(CC3)Cc4c[nH]c5ccc(Cl)cc45)c2c1
#
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
 EBY  EBY  N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-L-tryptophanamide  ligand  63  33  .  2021-08-08  2021-08-08  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_EBY
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
 EBY  N1   N   NH2   0  -0.788   4.2628   2.4088   0.1871
 EBY  N3   N   NT    0  -0.404  -2.3773   0.5100  -0.9801
 EBY  C4   C   CR56  0   0.335   6.3899  -1.4629  -0.8961
 EBY  C5   C   CR15  0  -0.080   4.3032  -1.2727  -1.6450
 EBY  C6   C   CR5   0   0.009   4.3165  -0.6013  -0.4526
 EBY  C7   C   CH2   0  -0.550   3.1683   0.1231   0.1663
 EBY  C8   C   CH1   0  -0.218   3.1211   1.6197  -0.2213
 EBY  C10  C   CH1   0  -0.099  -0.5591   2.5602   0.0153
 EBY  C15  C   CR15  0  -0.079  -3.5962  -2.8921  -0.5879
 EBY  C17  C   CR16  0  -0.307  -6.4526  -2.1725   1.4684
 EBY  C20  C   CR16  0  -0.330  -5.3807   0.1483   0.2304
 EBY  C21  C   CR56  0   0.026  -4.8028  -1.1049  -0.0011
 EBY  C22  C   CH2   0  -0.288  -1.7688   1.4439  -1.9048
 EBY  C24  C   CR56  0   0.039   5.6566  -0.7121   0.0465
 EBY  N    N   NR15  0  -0.685   5.5394  -1.7858  -1.9126
 EBY  O    O   O     0  -0.502   1.8420   2.6563   1.5282
 EBY  C1   C   CR6   0   0.093   7.6404  -0.5448   1.4091
 EBY  C11  C   CH2   0  -0.437  -1.2040   1.5096   0.9184
 EBY  C12  C   CH2   0  -0.276  -1.5169   0.2346   0.1547
 EBY  C14  C   CR5   0  -0.007  -3.6857  -1.5430  -0.7817
 EBY  C16  C   CR56  0   0.360  -5.3443  -2.2482   0.6281
 EBY  C18  C   CR16  0  -0.245  -7.0205  -0.9317   1.6781
 EBY  C19  C   CR6   0  -0.046  -6.4790   0.2047   1.0598
 EBY  C2   C   CR16  0  -0.320   8.3424  -1.2962   0.4421
 EBY  C23  C   CH2   0  -0.466  -1.4377   2.7609  -1.2162
 EBY  C25  C   CR16  0  -0.438   6.3035  -0.2579   1.2048
 EBY  C3   C   CR16  0  -0.292   7.7389  -1.7617  -0.7076
 EBY  C9   C   C     0   0.555   1.8586   2.2171   0.3855
 EBY  N2   N   NH1   0  -0.637   0.7767   2.1662  -0.4033
 EBY  N4   N   NR15  0  -0.687  -4.5893  -3.3173   0.2486
 EBY  CL   CL  CL    0  -0.153  -7.2290   1.7468   1.3700
 EBY  H1   H   HNH2  0   0.340   4.3639   2.3732   1.1942
 EBY  H2   H   HNH2  0   0.357   5.1067   2.0082  -0.2027
 EBY  H5   H   HCR5  0   0.279   3.4845  -1.4296  -2.3305
 EBY  H6   H   HCH2  0   0.247   2.2301  -0.3503  -0.1389
 EBY  H7   H   HCH2  0   0.246   3.2132   0.0428   1.2571
 EBY  H8   H   HCH1  0   0.255   3.0550   1.6742  -1.3128
 EBY  H9   H   HCH1  0   0.257  -0.4788   3.5058   0.5564
 EBY  H10  H   HCH2  0   0.238  -3.3838  -0.3841  -2.5384
 EBY  H11  H   HCH2  0   0.206  -1.9748  -1.2999  -2.0282
 EBY  H13  H   HCR6  0   0.269  -6.8613  -3.0518   1.9492
 EBY  H14  H   HCR6  0   0.262  -4.9585   1.0381  -0.2162
 EBY  H15  H   HCH2  0   0.183  -0.8641   1.0205  -2.3812
 EBY  H16  H   HCH2  0   0.244  -2.4700   1.6340  -2.7210
 EBY  H17  H   HNR5  0   0.407   5.7735  -2.3310  -2.7250
 EBY  H21  H   HCH2  0   0.241  -0.5590   1.2868   1.7696
 EBY  H22  H   HCH2  0   0.231  -2.1340   1.9219   1.3195
 EBY  H23  H   HCH2  0   0.246  -2.0251  -0.4655   0.8203
 EBY  H24  H   HCH2  0   0.185  -0.5785  -0.2600  -0.1589
 EBY  H25  H   HCR6  0   0.271  -7.8819  -0.8352   2.3247
 EBY  H26  H   HCR6  0   0.241   9.3901  -1.5165   0.6109
 EBY  H27  H   HCH2  0   0.246  -2.3676   3.2365  -0.8967
 EBY  H28  H   HCH2  0   0.247  -0.9570   3.4398  -1.9246
 EBY  H29  H   HCR6  0   0.229   5.7580   0.3168   1.9452
 EBY  H30  H   HCR6  0   0.256   8.2952  -2.3402  -1.4344
 EBY  H31  H   HNH1  0   0.396   0.8974   1.8188  -1.3410
 EBY  H32  H   HNR5  0   0.410  -4.7281  -4.2692   0.5427
 EBY  C13  C   CH2   0  -0.350  -2.8199  -0.6964  -1.6528
 EBY  C    C   CH3   0  -0.724   8.3579  -0.0673   2.6405
 EBY  H12  H   HCR5  0   0.284  -2.8837  -3.5935  -0.9938
 EBY  H18  H   HCH3  0   0.239   9.1957   0.5848   2.3868
 EBY  H19  H   HCH3  0   0.239   7.6927   0.4908   3.2984
 EBY  H20  H   HCH3  0   0.239   8.7684  -0.9007   3.2139

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
 EBY  N    C5   aromatic  1.365  0.020  1.365
 EBY  N    C4   aromatic  1.364  0.020  1.364
 EBY  C5   C6   aromatic  1.369  0.020  1.369
 EBY  C11  C12  single    1.519  0.020  1.519
 EBY  C11  C10  single    1.528  0.020  1.528
 EBY  O    C9   double    1.224  0.020  1.224
 EBY  C12  N3   single    1.450  0.020  1.450
 EBY  C4   C3   aromatic  1.395  0.020  1.395
 EBY  C4   C24  aromatic  1.411  0.020  1.411
 EBY  C6   C7   single    1.492  0.020  1.492
 EBY  C6   C24  aromatic  1.434  0.020  1.434
 EBY  C10  N2   single    1.454  0.020  1.454
 EBY  C10  C23  single    1.526  0.020  1.526
 EBY  C9   N2   single    1.340  0.020  1.340
 EBY  C9   C8   single    1.523  0.020  1.523
 EBY  C3   C2   aromatic  1.379  0.020  1.379
 EBY  C7   C8   single    1.547  0.020  1.547
 EBY  N3   C13  single    1.451  0.020  1.451
 EBY  N3   C22  single    1.448  0.020  1.448
 EBY  C24  C25  aromatic  1.402  0.020  1.402
 EBY  C13  C14  single    1.492  0.020  1.492
 EBY  C8   N1   single    1.447  0.020  1.447
 EBY  C23  C22  single    1.523  0.020  1.523
 EBY  C2   C1   aromatic  1.412  0.020  1.412
 EBY  C15  C14  aromatic  1.366  0.020  1.366
 EBY  C15  N4   aromatic  1.366  0.020  1.366
 EBY  C14  C21  aromatic  1.431  0.020  1.431
 EBY  C25  C1   aromatic  1.382  0.020  1.382
 EBY  C1   C    single    1.503  0.020  1.503
 EBY  N4   C16  aromatic  1.363  0.020  1.363
 EBY  C21  C16  aromatic  1.413  0.020  1.413
 EBY  C21  C20  aromatic  1.399  0.020  1.399
 EBY  C16  C17  aromatic  1.393  0.020  1.393
 EBY  C20  C19  aromatic  1.377  0.020  1.377
 EBY  C17  C18  aromatic  1.381  0.020  1.381
 EBY  C19  C18  aromatic  1.402  0.020  1.402
 EBY  C19  CL   single    1.743  0.020  1.743
 EBY  N1   H1   single    0.890  0.020  1.040
 EBY  N1   H2   single    0.890  0.020  1.040
 EBY  C5   H5   single    0.930  0.020  1.080
 EBY  C7   H6   single    0.970  0.020  1.090
 EBY  C7   H7   single    0.970  0.020  1.090
 EBY  C8   H8   single    0.970  0.020  1.090
 EBY  C10  H9   single    0.970  0.020  1.090
 EBY  C13  H10  single    0.970  0.020  1.090
 EBY  C13  H11  single    0.970  0.020  1.090
 EBY  C15  H12  single    0.930  0.020  1.080
 EBY  C17  H13  single    0.930  0.020  1.080
 EBY  C20  H14  single    0.930  0.020  1.080
 EBY  C22  H15  single    0.970  0.020  1.090
 EBY  C22  H16  single    0.970  0.020  1.090
 EBY  N    H17  single    0.860  0.020  1.020
 EBY  C    H18  single    0.970  0.020  1.090
 EBY  C    H19  single    0.970  0.020  1.090
 EBY  C    H20  single    0.970  0.020  1.090
 EBY  C11  H21  single    0.970  0.020  1.090
 EBY  C11  H22  single    0.970  0.020  1.090
 EBY  C12  H23  single    0.970  0.020  1.090
 EBY  C12  H24  single    0.970  0.020  1.090
 EBY  C18  H25  single    0.930  0.020  1.080
 EBY  C2   H26  single    0.930  0.020  1.080
 EBY  C23  H27  single    0.970  0.020  1.090
 EBY  C23  H28  single    0.970  0.020  1.090
 EBY  C25  H29  single    0.930  0.020  1.080
 EBY  C3   H30  single    0.930  0.020  1.080
 EBY  N2   H31  single    0.860  0.020  1.020
 EBY  N4   H32  single    0.860  0.020  1.020

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
 EBY  H2   N1   H1   106.61  3.000
 EBY  H2   N1   C8   109.48  3.000
 EBY  H1   N1   C8   109.89  3.000
 EBY  C12  N3   C22  111.89  3.000
 EBY  C22  N3   C13  111.62  3.000
 EBY  C12  N3   C13  112.70  3.000
 EBY  C3   C4   N    130.78  3.000
 EBY  C3   C4   C24  121.77  3.000
 EBY  N    C4   C24  107.45  3.000
 EBY  H5   C5   N    120.52  3.000
 EBY  H5   C5   C6   129.21  3.000
 EBY  N    C5   C6   110.27  3.000
 EBY  C24  C6   C7   127.75  3.000
 EBY  C24  C6   C5   105.93  3.000
 EBY  C7   C6   C5   126.31  3.000
 EBY  H7   C7   H6   106.35  3.000
 EBY  H7   C7   C8   108.78  3.000
 EBY  H6   C7   C8   108.81  3.000
 EBY  H7   C7   C6   110.25  3.000
 EBY  H6   C7   C6   109.52  3.000
 EBY  C8   C7   C6   112.91  3.000
 EBY  H8   C8   C9   109.13  3.000
 EBY  H8   C8   C7   107.45  3.000
 EBY  C9   C8   C7   107.76  3.000
 EBY  H8   C8   N1   107.57  3.000
 EBY  C7   C8   N1   115.66  3.000
 EBY  C9   C8   N1   109.13  3.000
 EBY  H9   C10  N2   108.03  3.000
 EBY  H9   C10  C23  109.16  3.000
 EBY  N2   C10  C23  109.40  3.000
 EBY  H9   C10  C11  109.47  3.000
 EBY  C23  C10  C11  108.93  3.000
 EBY  N2   C10  C11  111.81  3.000
 EBY  H12  C15  N4   120.53  3.000
 EBY  H12  C15  C14  129.19  3.000
 EBY  N4   C15  C14  110.28  3.000
 EBY  H13  C17  C18  120.49  3.000
 EBY  H13  C17  C16  121.62  3.000
 EBY  C18  C17  C16  117.89  3.000
 EBY  H14  C20  C19  121.76  3.000
 EBY  H14  C20  C21  120.49  3.000
 EBY  C19  C20  C21  117.75  3.000
 EBY  C16  C21  C14  107.11  3.000
 EBY  C16  C21  C20  119.52  3.000
 EBY  C14  C21  C20  133.36  3.000
 EBY  H16  C22  H15  105.65  3.000
 EBY  H16  C22  C23  109.08  3.000
 EBY  H15  C22  C23  110.35  3.000
 EBY  H16  C22  N3   108.63  3.000
 EBY  H15  C22  N3   111.82  3.000
 EBY  C23  C22  N3   111.12  3.000
 EBY  C25  C24  C6   133.90  3.000
 EBY  C25  C24  C4   118.98  3.000
 EBY  C6   C24  C4   107.11  3.000
 EBY  H17  N    C5   124.95  3.000
 EBY  H17  N    C4   125.80  3.000
 EBY  C5   N    C4   109.24  3.000
 EBY  C25  C1   C2   119.35  3.000
 EBY  C25  C1   C    121.12  3.000
 EBY  C2   C1   C    119.53  3.000
 EBY  H22  C11  H21  107.08  3.000
 EBY  H22  C11  C12  109.01  3.000
 EBY  H21  C11  C12  110.04  3.000
 EBY  H22  C11  C10  108.45  3.000
 EBY  H21  C11  C10  110.61  3.000
 EBY  C12  C11  C10  111.52  3.000
 EBY  H24  C12  H23  106.33  3.000
 EBY  H24  C12  C11  110.07  3.000
 EBY  H23  C12  C11  109.13  3.000
 EBY  H24  C12  N3   111.49  3.000
 EBY  H23  C12  N3   108.83  3.000
 EBY  C11  C12  N3   110.86  3.000
 EBY  C21  C14  C15  106.03  3.000
 EBY  C21  C14  C13  126.70  3.000
 EBY  C15  C14  C13  127.25  3.000
 EBY  N4   C16  C21  107.37  3.000
 EBY  C21  C16  C17  121.98  3.000
 EBY  N4   C16  C17  130.65  3.000
 EBY  H25  C18  C19  119.92  3.000
 EBY  H25  C18  C17  119.91  3.000
 EBY  C19  C18  C17  120.16  3.000
 EBY  CL   C19  C18  118.19  3.000
 EBY  CL   C19  C20  119.12  3.000
 EBY  C18  C19  C20  122.69  3.000
 EBY  H26  C2   C3   118.96  3.000
 EBY  H26  C2   C1   118.83  3.000
 EBY  C3   C2   C1   122.21  3.000
 EBY  H28  C23  H27  107.08  3.000
 EBY  H28  C23  C22  109.87  3.000
 EBY  H27  C23  C22  108.89  3.000
 EBY  H28  C23  C10  110.59  3.000
 EBY  H27  C23  C10  108.15  3.000
 EBY  C22  C23  C10  112.11  3.000
 EBY  H29  C25  C1   119.70  3.000
 EBY  H29  C25  C24  120.23  3.000
 EBY  C1   C25  C24  120.06  3.000
 EBY  H30  C3   C2   121.00  3.000
 EBY  H30  C3   C4   121.38  3.000
 EBY  C2   C3   C4   117.62  3.000
 EBY  N2   C9   O    123.51  3.000
 EBY  N2   C9   C8   114.83  3.000
 EBY  O    C9   C8   121.60  3.000
 EBY  H31  N2   C9   117.67  3.000
 EBY  H31  N2   C10  118.13  3.000
 EBY  C9   N2   C10  124.19  3.000
 EBY  H32  N4   C16  125.77  3.000
 EBY  H32  N4   C15  125.02  3.000
 EBY  C16  N4   C15  109.21  3.000
 EBY  H11  C13  H10  105.96  3.000
 EBY  H11  C13  C14  109.43  3.000
 EBY  H10  C13  C14  109.58  3.000
 EBY  H11  C13  N3   112.25  3.000
 EBY  H10  C13  N3   107.15  3.000
 EBY  C14  C13  N3   112.23  3.000
 EBY  H20  C    H19  107.66  3.000
 EBY  H20  C    H18  106.84  3.000
 EBY  H19  C    H18  107.63  3.000
 EBY  H20  C    C1   111.55  3.000
 EBY  H19  C    C1   111.47  3.000
 EBY  H18  C    C1   111.45  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
 EBY  CONST_01  C6   C5   N    C4      0.00   0.0  0
 EBY  CONST_02  C1   C2   C3   C4      0.00   0.0  0
 EBY  CONST_03  C5   C6   C24  C4      0.00   0.0  0
 EBY  CONST_04  C1   C25  C24  C4      0.00   0.0  0
 EBY  CONST_05  C3   C4   N    C5    180.00   0.0  0
 EBY  CONST_06  C24  C4   N    C5      0.00   0.0  0
 EBY  CONST_07  C25  C24  C6   C5    180.00   0.0  0
 EBY  CONST_08  N    C4   C24  C6      0.00   0.0  0
 EBY  CONST_09  C3   C4   C24  C6    180.00   0.0  0
 EBY  CONST_10  C1   C25  C24  C6    180.00   0.0  0
 EBY  CONST_11  C16  C21  C14  C15     0.00   0.0  0
 EBY  CONST_12  C20  C21  C14  C15   180.00   0.0  0
 EBY  CONST_13  C21  C16  N4   C15     0.00   0.0  0
 EBY  CONST_14  C17  C16  N4   C15   180.00   0.0  0
 EBY  CONST_15  C14  C21  C16  C17   180.00   0.0  0
 EBY  CONST_16  C20  C21  C16  C17     0.00   0.0  0
 EBY  CONST_17  C20  C19  C18  C17     0.00   0.0  0
 EBY  CONST_18  N4   C16  C21  C20   180.00   0.0  0
 EBY  CONST_19  N4   C15  C14  C21     0.00   0.0  0
 EBY  CONST_20  C18  C17  C16  C21     0.00   0.0  0
 EBY  CONST_21  C18  C19  C20  C21     0.00   0.0  0
 EBY  CONST_22  C2   C3   C4   C24     0.00   0.0  0
 EBY  CONST_23  N    C5   C6   C24     0.00   0.0  0
 EBY  CONST_24  C2   C1   C25  C24     0.00   0.0  0
 EBY  CONST_25  C2   C3   C4   N     180.00   0.0  0
 EBY  CONST_26  C25  C24  C4   N     180.00   0.0  0
 EBY  CONST_27  C16  N4   C15  C14     0.00   0.0  0
 EBY  CONST_28  N4   C16  C21  C14     0.00   0.0  0
 EBY  CONST_29  C19  C20  C21  C14   180.00   0.0  0
 EBY  CONST_30  C19  C20  C21  C16     0.00   0.0  0
 EBY  CONST_31  C19  C18  C17  C16     0.00   0.0  0
 EBY  CONST_32  N4   C16  C17  C18   180.00   0.0  0
 EBY  CONST_33  C3   C4   C24  C25     0.00   0.0  0
 EBY  CONST_34  C3   C2   C1   C25     0.00   0.0  0
 EBY  CONST_35  C7   C6   C24  C4    180.00   0.0  0
 EBY  CONST_36  N    C5   C6   C7    180.00   0.0  0
 EBY  CONST_37  C25  C24  C6   C7      0.00   0.0  0
 EBY  CONST_38  N4   C15  C14  C13   180.00   0.0  0
 EBY  CONST_39  C16  C21  C14  C13   180.00   0.0  0
 EBY  CONST_40  C20  C21  C14  C13     0.00   0.0  0
 EBY  CONST_41  CL   C19  C18  C17   180.00   0.0  0
 EBY  CONST_42  CL   C19  C20  C21   180.00   0.0  0
 EBY  CONST_43  C    C1   C25  C24   180.00   0.0  0
 EBY  CONST_44  C3   C2   C1   C     180.00   0.0  0
 EBY  CONST_45  H5   C5   N    C4    180.00   0.0  0
 EBY  CONST_46  H26  C2   C3   C4    180.00   0.0  0
 EBY  CONST_47  H29  C25  C24  C4    180.00   0.0  0
 EBY  CONST_48  H17  N    C5   C6    180.00   0.0  0
 EBY  CONST_49  H32  N4   C16  C17     0.00   0.0  0
 EBY  CONST_50  H25  C18  C19  C20   180.00   0.0  0
 EBY  CONST_51  H12  C15  C14  C21   180.00   0.0  0
 EBY  CONST_52  H13  C17  C16  C21   180.00   0.0  0
 EBY  CONST_53  H30  C3   C4   C24   180.00   0.0  0
 EBY  CONST_54  H14  C20  C21  C14     0.00   0.0  0
 EBY  CONST_55  C10  N2   C9   C8    180.00   0.0  0
 EBY  CONST_56  O    C9   N2   C10     0.00   0.0  0
 EBY  CONST_57  H31  N2   C9   C8      0.00   0.0  0
 EBY  Var_01    C10  C11  C12  N3    -57.01  30.0  1
 EBY  Var_02    C10  C23  C22  N3     55.15  30.0  1
 EBY  Var_03    C11  C12  N3   C22    59.54  30.0  1
 EBY  Var_04    C23  C22  N3   C12   -58.45  30.0  1
 EBY  Var_05    C15  C14  C13  N3   -133.45  30.0  2
 EBY  Var_06    C14  C13  N3   C22  -168.50  30.0  3
 EBY  Var_07    C8   C7   C6   C5    -91.98  30.0  2
 EBY  Var_08    H18  C    C1   C2     60.14  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
 EBY  chir_01  C8   C9  C7   N1   positiv
 EBY  chir_02  C10  N2  C11  C23  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
 EBY  plan-1  C15  0.020
 EBY  plan-1  C17  0.020
 EBY  plan-1  C20  0.020
 EBY  plan-1  C21  0.020
 EBY  plan-1  C14  0.020
 EBY  plan-1  C16  0.020
 EBY  plan-1  C18  0.020
 EBY  plan-1  C19  0.020
 EBY  plan-1  N4   0.020
 EBY  plan-1  CL   0.020
 EBY  plan-1  H13  0.020
 EBY  plan-1  H14  0.020
 EBY  plan-1  H25  0.020
 EBY  plan-1  H32  0.020
 EBY  plan-1  C13  0.020
 EBY  plan-1  H12  0.020
 EBY  plan-2  C4   0.020
 EBY  plan-2  C5   0.020
 EBY  plan-2  C6   0.020
 EBY  plan-2  C7   0.020
 EBY  plan-2  C24  0.020
 EBY  plan-2  N    0.020
 EBY  plan-2  C1   0.020
 EBY  plan-2  C2   0.020
 EBY  plan-2  C25  0.020
 EBY  plan-2  C3   0.020
 EBY  plan-2  H5   0.020
 EBY  plan-2  H17  0.020
 EBY  plan-2  H26  0.020
 EBY  plan-2  H29  0.020
 EBY  plan-2  H30  0.020
 EBY  plan-2  C    0.020
 EBY  plan-3  C8   0.020
 EBY  plan-3  C10  0.020
 EBY  plan-3  O    0.020
 EBY  plan-3  C9   0.020
 EBY  plan-3  N2   0.020
 EBY  plan-3  H31  0.020

