# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr 29 10:48:38 2020
#   Inital geometry file: a 143 line input string
#   Ligand name: 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc(N)ccc1c2ccc3c([nH]nc3c4[nH]c5cccc(N6CCN(C)CC6)c5n4)c2
#
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
 EZR  EZR  3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline  ligand  61  34  .  2022-03-18  2022-03-18
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_EZR
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
 EZR  C4    C  CR16  0  -0.277  -5.4763  -0.3163  -1.3336
 EZR  C5    C  CR16  0  -0.343   5.2235  -3.1604   0.1878
 EZR  C6    C  CR16  0  -0.398   6.0144  -0.8548   0.2759
 EZR  C7    C  CR16  0  -0.351  -6.7388   0.2102  -1.5394
 EZR  C8    C  CR16  0  -0.365  -3.1455  -1.7845  -0.1059
 EZR  C10   C  CR56  0  -0.107  -0.7037  -1.5377  -0.0089
 EZR  C13   C  CR56  0   0.089   3.6726  -1.2477   0.1815
 EZR  C15   C  CR56  0   0.450  -1.8620  -2.3289  -0.0109
 EZR  C17   C  CR6   0   0.333  -7.1674   1.2990  -0.7754
 EZR  C20   C  CR5   0   0.452   1.7781  -2.2242   0.1326
 EZR  C21   C  CH2   0  -0.319   5.5811   1.9250   0.6636
 EZR  C22   C  CH2   0  -0.325   3.5944   1.6320  -0.6853
 EZR  C24   C  CH2   0  -0.325   3.1077   3.0011  -0.2283
 EZR  C26   C  CH3   0  -0.438  -4.5440   2.8573   2.1012
 EZR  C1    C  CR16  0  -0.263   6.2482  -2.2382   0.2544
 EZR  C2    C  CR16  0  -0.327  -0.8255  -0.1458  -0.1203
 EZR  C3    C  CR16  0  -0.295  -2.0842   0.3935  -0.2225
 EZR  C9    C  CR16  0  -0.469  -6.2993   1.8277   0.1889
 EZR  C11   C  CR6   0   0.087  -3.2556  -0.4106  -0.2162
 EZR  C12   C  CR6   0  -0.074  -4.5912   0.1967  -0.3896
 EZR  C14   C  CR56  0   0.353   3.9382  -2.6257   0.1503
 EZR  C16   C  CR6   0   0.278   4.7299  -0.3125   0.2460
 EZR  C18   C  CR6   0   0.367  -5.0353   1.2854   0.3834
 EZR  C19   C  CR5   0   0.149   0.3565  -2.4812   0.0978
 EZR  C23   C  CH2   0  -0.320   5.0507   3.2894   1.0945
 EZR  C25   C  CH3   0  -0.529   4.8668   4.4766  -1.0156
 EZR  N27   N  N     0  -0.482   2.3161  -1.0347   0.1756
 EZR  N28   N  N     0  -0.255  -0.1162  -3.7076   0.1554
 EZR  N29   N  NR15  0  -0.716   2.7052  -3.2168   0.1163
 EZR  N30   N  NR15  0  -0.545  -1.4374  -3.6127   0.0926
 EZR  N31   N  NT    0  -0.504   4.4728   1.0502   0.3280
 EZR  N32   N  NH2   0  -0.860  -8.4336   1.8129  -0.9239
 EZR  N33   N  NT    0  -0.401   4.1731   3.9196   0.1277
 EZR  O34   O  O2    0  -0.466  -4.1814   1.7384   1.3188
 EZR  H4    H  HCR6  0   0.251  -5.1537  -1.1490  -1.9471
 EZR  H5    H  HCR6  0   0.258   5.4064  -4.2261   0.1732
 EZR  H6    H  HCR6  0   0.263   6.8747  -0.2008   0.3063
 EZR  H7    H  HCR6  0   0.252  -7.3878  -0.2151  -2.2949
 EZR  H8    H  HCR6  0   0.268  -4.0229  -2.4182  -0.0862
 EZR  H21   H  HCH2  0   0.213   6.2894   2.0331  -0.1721
 EZR  H21A  H  HCH2  0   0.250   6.1382   1.4969   1.4989
 EZR  H22   H  HCH2  0   0.273   2.7325   0.9867  -0.8355
 EZR  H22A  H  HCH2  0   0.212   4.1192   1.7083  -1.6498
 EZR  H24   H  HCH2  0   0.238   2.4923   3.4488  -1.0121
 EZR  H24A  H  HCH2  0   0.230   2.4639   2.8646   0.6478
 EZR  H26   H  HCH3  0   0.260  -3.6972   3.0646   2.7509
 EZR  H26A  H  HCH3  0   0.229  -4.7414   3.7394   1.4867
 EZR  H26B  H  HCH3  0   0.228  -5.4215   2.6575   2.7214
 EZR  H1    H  HCR6  0   0.251   7.2733  -2.5851   0.2817
 EZR  H2    H  HCR6  0   0.257   0.0504   0.4875  -0.1338
 EZR  H3    H  HCR6  0   0.249  -2.1856   1.4641  -0.3326
 EZR  H9    H  HCR6  0   0.278  -6.6414   2.6624   0.7882
 EZR  H23   H  HCH2  0   0.231   4.4967   3.1629   2.0311
 EZR  H23A  H  HCH2  0   0.239   5.8930   3.9519   1.3071
 EZR  H25   H  HCH3  0   0.232   4.1492   4.9869  -1.6602
 EZR  H25A  H  HCH3  0   0.232   5.5910   5.2193  -0.6765
 EZR  H25B  H  HCH3  0   0.200   5.4077   3.7523  -1.6394
 EZR  HN29  H  HNR5  0   0.418   2.5114  -4.2058   0.0926
 EZR  HN30  H  HNR5  0   0.422  -1.9977  -4.4494   0.1225
 EZR  HN32  H  HNH2  0   0.381  -8.8850   1.6222  -1.8038
 EZR  HN3A  H  HNH2  0   0.381  -8.5668   2.7664  -0.6282

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
 EZR  C4   C7    aromatic  1.383  0.020  1.383
 EZR  C4   C12   aromatic  1.392  0.020  1.392
 EZR  C5   C1    aromatic  1.380  0.020  1.380
 EZR  C5   C14   aromatic  1.393  0.020  1.393
 EZR  C6   C1    aromatic  1.403  0.020  1.403
 EZR  C6   C16   aromatic  1.395  0.020  1.395
 EZR  C7   C17   aromatic  1.397  0.020  1.397
 EZR  C8   C15   aromatic  1.397  0.020  1.397
 EZR  C8   C11   aromatic  1.383  0.020  1.383
 EZR  C10  C15   aromatic  1.403  0.020  1.403
 EZR  C10  C2    aromatic  1.402  0.020  1.402
 EZR  C10  C19   aromatic  1.423  0.020  1.423
 EZR  C13  C14   aromatic  1.404  0.020  1.404
 EZR  C13  C16   aromatic  1.413  0.020  1.413
 EZR  C13  N27   aromatic  1.373  0.020  1.373
 EZR  C15  N30   aromatic  1.356  0.020  1.356
 EZR  C17  C9    aromatic  1.401  0.020  1.401
 EZR  C17  N32   single    1.375  0.020  1.375
 EZR  C20  C19   single    1.445  0.020  1.445
 EZR  C20  N27   aromatic  1.306  0.020  1.306
 EZR  C20  N29   aromatic  1.358  0.020  1.358
 EZR  C21  C23   single    1.526  0.020  1.526
 EZR  C21  N31   single    1.451  0.020  1.451
 EZR  C22  C24   single    1.523  0.020  1.523
 EZR  C22  N31   single    1.462  0.020  1.462
 EZR  C24  N33   single    1.451  0.020  1.451
 EZR  C26  O34   single    1.413  0.020  1.413
 EZR  C2   C3    aromatic  1.373  0.020  1.373
 EZR  C3   C11   aromatic  1.421  0.020  1.421
 EZR  C9   C18   aromatic  1.389  0.020  1.389
 EZR  C11  C12   single    1.477  0.020  1.477
 EZR  C12  C18   aromatic  1.407  0.020  1.407
 EZR  C14  N29   aromatic  1.368  0.020  1.368
 EZR  C16  N31   single    1.389  0.020  1.389
 EZR  C18  O34   single    1.345  0.020  1.345
 EZR  C19  N28   aromatic  1.316  0.020  1.316
 EZR  C23  N33   single    1.450  0.020  1.450
 EZR  C25  N33   single    1.449  0.020  1.449
 EZR  N28  N30   aromatic  1.326  0.020  1.326
 EZR  C4   H4    single    0.930  0.020  1.080
 EZR  C5   H5    single    0.930  0.020  1.080
 EZR  C6   H6    single    0.930  0.020  1.080
 EZR  C7   H7    single    0.930  0.020  1.080
 EZR  C8   H8    single    0.930  0.020  1.080
 EZR  C21  H21   single    0.970  0.020  1.090
 EZR  C21  H21A  single    0.970  0.020  1.090
 EZR  C22  H22   single    0.970  0.020  1.090
 EZR  C22  H22A  single    0.970  0.020  1.090
 EZR  C24  H24   single    0.970  0.020  1.090
 EZR  C24  H24A  single    0.970  0.020  1.090
 EZR  C26  H26   single    0.970  0.020  1.090
 EZR  C26  H26A  single    0.970  0.020  1.090
 EZR  C26  H26B  single    0.970  0.020  1.090
 EZR  C1   H1    single    0.930  0.020  1.080
 EZR  C2   H2    single    0.930  0.020  1.080
 EZR  C3   H3    single    0.930  0.020  1.080
 EZR  C9   H9    single    0.930  0.020  1.080
 EZR  C23  H23   single    0.970  0.020  1.090
 EZR  C23  H23A  single    0.970  0.020  1.090
 EZR  C25  H25   single    0.970  0.020  1.090
 EZR  C25  H25A  single    0.970  0.020  1.090
 EZR  C25  H25B  single    0.970  0.020  1.090
 EZR  N29  HN29  single    0.860  0.020  1.020
 EZR  N30  HN30  single    0.860  0.020  1.020
 EZR  N32  HN32  single    0.890  0.020  1.040
 EZR  N32  HN3A  single    0.890  0.020  1.040

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
 EZR  H4    C4   C12   118.56  3.000
 EZR  H4    C4   C7    118.68  3.000
 EZR  C12   C4   C7    122.75  3.000
 EZR  H5    C5   C14   122.28  3.000
 EZR  H5    C5   C1    122.25  3.000
 EZR  C14   C5   C1    115.46  3.000
 EZR  H6    C6   C16   119.88  3.000
 EZR  H6    C6   C1    117.67  3.000
 EZR  C16   C6   C1    122.45  3.000
 EZR  H7    C7   C17   120.24  3.000
 EZR  H7    C7   C4    120.09  3.000
 EZR  C17   C7   C4    119.67  3.000
 EZR  H8    C8   C11   121.24  3.000
 EZR  H8    C8   C15   121.01  3.000
 EZR  C11   C8   C15   117.75  3.000
 EZR  C19   C10  C2    136.81  3.000
 EZR  C19   C10  C15   103.96  3.000
 EZR  C2    C10  C15   119.23  3.000
 EZR  N27   C13  C16   129.55  3.000
 EZR  N27   C13  C14   109.82  3.000
 EZR  C16   C13  C14   120.60  3.000
 EZR  N30   C15  C10   105.98  3.000
 EZR  N30   C15  C8    131.42  3.000
 EZR  C10   C15  C8    122.60  3.000
 EZR  N32   C17  C9    120.27  3.000
 EZR  N32   C17  C7    120.98  3.000
 EZR  C9    C17  C7    118.70  3.000
 EZR  N29   C20  N27   112.63  3.000
 EZR  N29   C20  C19   122.76  3.000
 EZR  N27   C20  C19   124.61  3.000
 EZR  H21A  C21  H21   106.92  3.000
 EZR  H21A  C21  N31   109.29  3.000
 EZR  H21   C21  N31   112.02  3.000
 EZR  H21A  C21  C23   108.18  3.000
 EZR  H21   C21  C23   110.50  3.000
 EZR  N31   C21  C23   109.80  3.000
 EZR  H22A  C22  H22   107.34  3.000
 EZR  H22A  C22  N31   110.40  3.000
 EZR  H22   C22  N31   109.63  3.000
 EZR  H22A  C22  C24   110.67  3.000
 EZR  H22   C22  C24   108.76  3.000
 EZR  N31   C22  C24   109.99  3.000
 EZR  H24A  C24  H24   107.08  3.000
 EZR  H24A  C24  N33   108.31  3.000
 EZR  H24   C24  N33   109.27  3.000
 EZR  H24A  C24  C22   108.41  3.000
 EZR  H24   C24  C22   109.46  3.000
 EZR  N33   C24  C22   114.08  3.000
 EZR  H26B  C26  H26A  108.76  3.000
 EZR  H26B  C26  H26   108.72  3.000
 EZR  H26A  C26  H26   108.83  3.000
 EZR  H26B  C26  O34   112.06  3.000
 EZR  H26A  C26  O34   111.98  3.000
 EZR  H26   C26  O34   106.38  3.000
 EZR  H1    C1   C6    118.25  3.000
 EZR  H1    C1   C5    119.35  3.000
 EZR  C6    C1   C5    122.40  3.000
 EZR  H2    C2   C3    120.78  3.000
 EZR  H2    C2   C10   120.82  3.000
 EZR  C3    C2   C10   118.40  3.000
 EZR  H3    C3   C11   118.92  3.000
 EZR  H3    C3   C2    118.85  3.000
 EZR  C11   C3   C2    122.21  3.000
 EZR  H9    C9   C18   120.73  3.000
 EZR  H9    C9   C17   118.42  3.000
 EZR  C18   C9   C17   120.85  3.000
 EZR  C12   C11  C3    120.81  3.000
 EZR  C12   C11  C8    119.32  3.000
 EZR  C3    C11  C8    119.81  3.000
 EZR  C18   C12  C11   122.61  3.000
 EZR  C18   C12  C4    117.20  3.000
 EZR  C11   C12  C4    120.19  3.000
 EZR  N29   C14  C13   104.73  3.000
 EZR  N29   C14  C5    131.81  3.000
 EZR  C13   C14  C5    123.44  3.000
 EZR  N31   C16  C13   120.89  3.000
 EZR  N31   C16  C6    123.42  3.000
 EZR  C13   C16  C6    115.64  3.000
 EZR  O34   C18  C12   116.25  3.000
 EZR  O34   C18  C9    122.92  3.000
 EZR  C12   C18  C9    120.82  3.000
 EZR  N28   C19  C20   121.21  3.000
 EZR  N28   C19  C10   110.71  3.000
 EZR  C20   C19  C10   128.08  3.000
 EZR  H23A  C23  H23   107.07  3.000
 EZR  H23A  C23  N33   109.44  3.000
 EZR  H23   C23  N33   108.31  3.000
 EZR  H23A  C23  C21   109.22  3.000
 EZR  H23   C23  C21   108.30  3.000
 EZR  N33   C23  C21   114.25  3.000
 EZR  H25B  C25  H25A  107.36  3.000
 EZR  H25B  C25  H25   107.26  3.000
 EZR  H25A  C25  H25   107.56  3.000
 EZR  H25B  C25  N33   115.50  3.000
 EZR  H25A  C25  N33   109.53  3.000
 EZR  H25   C25  N33   109.33  3.000
 EZR  C20   N27  C13   105.41  3.000
 EZR  N30   N28  C19   106.81  3.000
 EZR  HN29  N29  C14   126.72  3.000
 EZR  HN29  N29  C20   125.88  3.000
 EZR  C14   N29  C20   107.40  3.000
 EZR  HN30  N30  N28   119.56  3.000
 EZR  HN30  N30  C15   127.91  3.000
 EZR  N28   N30  C15   112.54  3.000
 EZR  C16   N31  C22   117.44  3.000
 EZR  C16   N31  C21   117.62  3.000
 EZR  C22   N31  C21   112.29  3.000
 EZR  HN3A  N32  HN32  112.12  3.000
 EZR  HN3A  N32  C17   116.36  3.000
 EZR  HN32  N32  C17   115.87  3.000
 EZR  C25   N33  C23   113.80  3.000
 EZR  C25   N33  C24   113.67  3.000
 EZR  C23   N33  C24   109.44  3.000
 EZR  C18   O34  C26   119.27  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
 EZR  CONST_01  C9    C17  C7   C4      0.00   0.0  0
 EZR  CONST_04  C9    C18  C12  C4      0.00   0.0  0
 EZR  CONST_05  C16   C6   C1   C5      0.00   0.0  0
 EZR  CONST_06  C16   C13  C14  C5      0.00   0.0  0
 EZR  CONST_07  N27   C13  C14  C5    180.00   0.0  0
 EZR  CONST_08  C20   N29  C14  C5    180.00   0.0  0
 EZR  CONST_09  C14   C5   C1   C6      0.00   0.0  0
 EZR  CONST_10  C14   C13  C16  C6      0.00   0.0  0
 EZR  CONST_11  N27   C13  C16  C6    180.00   0.0  0
 EZR  CONST_12  C11   C12  C4   C7    180.00   0.0  0
 EZR  CONST_13  C18   C12  C4   C7      0.00   0.0  0
 EZR  CONST_14  C18   C9   C17  C7      0.00   0.0  0
 EZR  CONST_15  C2    C10  C15  C8      0.00   0.0  0
 EZR  CONST_16  C19   C10  C15  C8    180.00   0.0  0
 EZR  CONST_17  N28   N30  C15  C8    180.00   0.0  0
 EZR  CONST_18  C2    C3   C11  C8      0.00   0.0  0
 EZR  CONST_20  C11   C8   C15  C10     0.00   0.0  0
 EZR  CONST_21  N28   N30  C15  C10     0.00   0.0  0
 EZR  CONST_22  C11   C3   C2   C10     0.00   0.0  0
 EZR  CONST_23  N27   C20  C19  C10     0.00   0.0  0
 EZR  CONST_24  N29   C20  C19  C10   180.00   0.0  0
 EZR  CONST_25  N30   N28  C19  C10     0.00   0.0  0
 EZR  CONST_26  C1    C5   C14  C13     0.00   0.0  0
 EZR  CONST_27  C20   N29  C14  C13     0.00   0.0  0
 EZR  CONST_28  C1    C6   C16  C13     0.00   0.0  0
 EZR  CONST_29  C19   C20  N27  C13   180.00   0.0  0
 EZR  CONST_30  N29   C20  N27  C13     0.00   0.0  0
 EZR  CONST_31  C3    C11  C8   C15     0.00   0.0  0
 EZR  CONST_32  C12   C11  C8   C15   180.00   0.0  0
 EZR  CONST_33  C3    C2   C10  C15     0.00   0.0  0
 EZR  CONST_34  C20   C19  C10  C15   180.00   0.0  0
 EZR  CONST_35  N28   C19  C10  C15     0.00   0.0  0
 EZR  CONST_36  C19   N28  N30  C15     0.00   0.0  0
 EZR  CONST_37  C12   C4   C7   C17     0.00   0.0  0
 EZR  CONST_38  C12   C18  C9   C17     0.00   0.0  0
 EZR  CONST_39  C2    C10  C19  C20     0.00   0.0  0
 EZR  CONST_40  N30   N28  C19  C20   180.00   0.0  0
 EZR  CONST_41  C14   C13  N27  C20     0.00   0.0  0
 EZR  CONST_42  C16   C13  N27  C20   180.00   0.0  0
 EZR  CONST_43  N29   C14  C5   C1    180.00   0.0  0
 EZR  CONST_44  N30   C15  C10  C2    180.00   0.0  0
 EZR  CONST_45  N28   C19  C10  C2    180.00   0.0  0
 EZR  CONST_46  C12   C11  C3   C2    180.00   0.0  0
 EZR  CONST_47  C19   C10  C2   C3    180.00   0.0  0
 EZR  CONST_49  C11   C12  C18  C9    180.00   0.0  0
 EZR  CONST_50  N30   C15  C8   C11   180.00   0.0  0
 EZR  CONST_51  C19   C20  N29  C14   180.00   0.0  0
 EZR  CONST_52  N27   C20  N29  C14     0.00   0.0  0
 EZR  CONST_53  N29   C14  C13  C16   180.00   0.0  0
 EZR  CONST_54  N30   C15  C10  C19     0.00   0.0  0
 EZR  CONST_55  N29   C14  C13  N27     0.00   0.0  0
 EZR  CONST_56  N28   C19  C20  N27   180.00   0.0  0
 EZR  CONST_57  N29   C20  C19  N28     0.00   0.0  0
 EZR  CONST_58  N31   C16  C6   C1    180.00   0.0  0
 EZR  CONST_59  N31   C16  C13  C14   180.00   0.0  0
 EZR  CONST_60  N31   C16  C13  N27     0.00   0.0  0
 EZR  CONST_61  N32   C17  C7   C4    180.00   0.0  0
 EZR  CONST_62  O34   C18  C12  C4    180.00   0.0  0
 EZR  CONST_63  O34   C18  C9   C17   180.00   0.0  0
 EZR  CONST_64  O34   C18  C12  C11     0.00   0.0  0
 EZR  CONST_65  N32   C17  C9   C18   180.00   0.0  0
 EZR  CONST_66  H6    C6   C1   C5    180.00   0.0  0
 EZR  CONST_67  HN29  N29  C14  C5      0.00   0.0  0
 EZR  CONST_68  H5    C5   C1   C6    180.00   0.0  0
 EZR  CONST_69  H9    C9   C17  C7    180.00   0.0  0
 EZR  CONST_70  HN30  N30  C15  C8      0.00   0.0  0
 EZR  CONST_71  H3    C3   C11  C8    180.00   0.0  0
 EZR  CONST_72  H8    C8   C15  C10   180.00   0.0  0
 EZR  CONST_73  H2    C2   C10  C15   180.00   0.0  0
 EZR  CONST_74  H4    C4   C7   C17   180.00   0.0  0
 EZR  CONST_75  H7    C7   C17  C9    180.00   0.0  0
 EZR  CONST_76  H1    C1   C5   C14   180.00   0.0  0
 EZR  Var_01    C21   N31  C16  C6     -9.61  30.0  2
 EZR  Var_02    C24   N33  C23  C21    53.05  30.0  1
 EZR  Var_03    C24   C22  N31  C21   -55.16  30.0  1
 EZR  Var_04    C23   N33  C24  C22   -52.86  30.0  1
 EZR  Var_05    C23   C21  N31  C22    55.15  30.0  1
 EZR  Var_06    N33   C23  C21  N31   -54.87  30.0  1
 EZR  Var_07    N33   C24  C22  N31    54.47  30.0  1
 EZR  Var_08    C9    C18  O34  C26    -3.29  30.0  2
 EZR  Var_09    H25   C25  N33  C24    57.48  30.0  3
 EZR  Var_10    H26   C26  O34  C18  -177.76  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
 EZR  plan-1  C4    0.020
 EZR  plan-1  C7    0.020
 EZR  plan-1  C17   0.020
 EZR  plan-1  C9    0.020
 EZR  plan-1  C11   0.020
 EZR  plan-1  C12   0.020
 EZR  plan-1  C18   0.020
 EZR  plan-1  N32   0.020
 EZR  plan-1  O34   0.020
 EZR  plan-1  H4    0.020
 EZR  plan-1  H7    0.020
 EZR  plan-1  H9    0.020
 EZR  plan-2  C8    0.020
 EZR  plan-2  C10   0.020
 EZR  plan-2  C15   0.020
 EZR  plan-2  C20   0.020
 EZR  plan-2  C2    0.020
 EZR  plan-2  C3    0.020
 EZR  plan-2  C11   0.020
 EZR  plan-2  C12   0.020
 EZR  plan-2  C19   0.020
 EZR  plan-2  N28   0.020
 EZR  plan-2  N30   0.020
 EZR  plan-2  H8    0.020
 EZR  plan-2  H2    0.020
 EZR  plan-2  H3    0.020
 EZR  plan-2  HN30  0.020
 EZR  plan-3  C5    0.020
 EZR  plan-3  C6    0.020
 EZR  plan-3  C13   0.020
 EZR  plan-3  C20   0.020
 EZR  plan-3  C1    0.020
 EZR  plan-3  C14   0.020
 EZR  plan-3  C16   0.020
 EZR  plan-3  C19   0.020
 EZR  plan-3  N27   0.020
 EZR  plan-3  N29   0.020
 EZR  plan-3  N31   0.020
 EZR  plan-3  H5    0.020
 EZR  plan-3  H6    0.020
 EZR  plan-3  H1    0.020
 EZR  plan-3  HN29  0.020
 EZR  plan-4  C17   0.020
 EZR  plan-4  N32   0.020
 EZR  plan-4  HN32  0.020
 EZR  plan-4  HN3A  0.020

