# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon May  4 22:55:03 2020
#   Inital geometry file: a 172 line input string
#   Ligand name: tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)(C)OC(=O)N[C@H](CS[C@H](Cc1ccccc1)C(=O)NCc2cccnc2)Cc3ccccc3
#
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
 G0M  G0M  'tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate'  ligand  71  36  .  2021-08-10  2021-08-10  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_G0M
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
 G0M  C10  C  CH2   0  -0.552  -0.9839   1.0601   0.7655
 G0M  C12  C  CH1   0  -0.523   1.5905   0.4906  -0.1115
 G0M  C13  C  CH2   0  -0.479   1.9017   1.7054  -0.9879
 G0M  C14  C  CR6   0   0.110   3.3301   2.1569  -0.8418
 G0M  C15  C  CR16  0  -0.303   3.7730   2.7358   0.3470
 G0M  C16  C  CR16  0  -0.238   5.0937   3.1343   0.4942
 G0M  C17  C  CR16  0  -0.269   5.9940   2.9633  -0.5507
 G0M  C18  C  CR16  0  -0.244   5.5656   2.3839  -1.7370
 G0M  C01  C  CH3   0  -0.669  -4.8063  -3.1880  -2.0294
 G0M  C02  C  CT    0   0.190  -5.3515  -2.7198  -0.6850
 G0M  C03  C  CH3   0  -0.667  -6.6315  -1.9074  -0.8382
 G0M  C04  C  CH3   0  -0.657  -5.6084  -3.9259   0.2116
 G0M  C06  C  C     0   0.775  -3.8561  -0.8146  -0.3809
 G0M  C09  C  CH1   0  -0.090  -2.4763   1.0318   0.4638
 G0M  C19  C  CR16  0  -0.304   4.2437   1.9790  -1.8775
 G0M  C20  C  C     0   0.596   2.4805  -0.6820  -0.4824
 G0M  C23  C  CH2   0  -0.343   4.1066  -2.3006   0.4027
 G0M  C24  C  CR6   0  -0.000   5.5441  -1.9016   0.6184
 G0M  C25  C  CR16  0  -0.101   6.4567  -2.8251   1.1188
 G0M  C27  C  CR16  0  -0.073   8.1903  -1.3592   0.9934
 G0M  C28  C  CR16  0  -0.317   7.3681  -0.3588   0.4981
 G0M  C29  C  CR16  0  -0.172   6.0233  -0.6357   0.3093
 G0M  C30  C  CH2   0  -0.507  -3.2323   1.9651   1.4243
 G0M  C31  C  CR6   0   0.139  -4.7120   1.9556   1.1659
 G0M  C32  C  CR16  0  -0.294  -5.2574   2.7350   0.1483
 G0M  C33  C  CR16  0  -0.241  -6.6155   2.6925  -0.1308
 G0M  C34  C  CR16  0  -0.269  -7.4525   1.8635   0.6059
 G0M  C35  C  CR16  0  -0.232  -6.9213   1.0848   1.6242
 G0M  C36  C  CR16  0  -0.312  -5.5611   1.1319   1.9000
 G0M  N08  N  NH1   0  -0.654  -2.9834  -0.3180   0.5300
 G0M  N22  N  NH1   0  -0.627   3.1900  -1.1970   0.5339
 G0M  N26  N  N     0  -0.400   7.7459  -2.5721   1.3022
 G0M  O05  O  O2    0  -0.503  -4.3519  -1.9715   0.0543
 G0M  O07  O  O     0  -0.509  -4.1106  -0.2884  -1.4433
 G0M  O21  O  O     0  -0.477   2.5179  -1.1004  -1.6288
 G0M  S11  S  S2    0   0.025  -0.1227  -0.0966  -0.3389
 G0M  H1   H  HCH2  0   0.278  -0.6096   2.0718   0.6013
 G0M  H2   H  HCH2  0   0.274  -0.7862   0.7910   1.8057
 G0M  H3   H  HCH1  0   0.299   1.7151   0.7458   0.9440
 G0M  H4   H  HCH2  0   0.261   1.6896   1.4576  -2.0281
 G0M  H5   H  HCH2  0   0.268   1.2237   2.5163  -0.7108
 G0M  H6   H  HCR6  0   0.250   3.0762   2.8796   1.1655
 G0M  H7   H  HCR6  0   0.256   5.4218   3.5816   1.4237
 G0M  H8   H  HCR6  0   0.257   7.0237   3.2780  -0.4386
 G0M  H9   H  HCR6  0   0.256   6.2618   2.2439  -2.5539
 G0M  H10  H  HCH3  0   0.233  -3.8416  -3.6840  -1.9078
 G0M  H11  H  HCH3  0   0.232  -5.4958  -3.9132  -2.4633
 G0M  H12  H  HCH3  0   0.244  -4.6899  -2.3736  -2.7404
 G0M  H13  H  HCH3  0   0.229  -7.4153  -2.5475  -1.2454
 G0M  H14  H  HCH3  0   0.238  -6.9725  -1.5304   0.1269
 G0M  H15  H  HCH3  0   0.244  -6.5096  -1.0606  -1.5095
 G0M  H16  H  HCH3  0   0.235  -4.7035  -4.5211   0.3449
 G0M  H17  H  HCH3  0   0.236  -5.9691  -3.6207   1.1950
 G0M  H18  H  HCH3  0   0.229  -6.3662  -4.5666  -0.2387
 G0M  H19  H  HCH1  0   0.271  -2.6262   1.3809  -0.5582
 G0M  H20  H  HCR6  0   0.251   3.9148   1.5238  -2.8041
 G0M  H21  H  HCH2  0   0.278   3.9871  -2.7211  -0.5960
 G0M  H22  H  HCH2  0   0.273   3.8335  -3.0882   1.1080
 G0M  H23  H  HCR6  0   0.259   6.1191  -3.8222   1.3871
 G0M  H24  H  HCR6  0   0.263   9.2466  -1.1728   1.1517
 G0M  H25  H  HCR6  0   0.264   7.7719   0.6174   0.2660
 G0M  H26  H  HCR6  0   0.272   5.3598   0.1318  -0.0691
 G0M  H27  H  HCH2  0   0.250  -3.0274   1.6562   2.4532
 G0M  H28  H  HCH2  0   0.256  -2.8336   2.9759   1.3095
 G0M  H29  H  HCR6  0   0.242  -4.6087   3.3813  -0.4320
 G0M  H30  H  HCR6  0   0.250  -7.0228   3.3071  -0.9239
 G0M  H31  H  HCR6  0   0.250  -8.5124   1.8283   0.3890
 G0M  H32  H  HCR6  0   0.250  -7.5657   0.4372   2.2049
 G0M  H33  H  HCR6  0   0.242  -5.1563   0.5238   2.7005
 G0M  H34  H  HNH1  0   0.390  -2.9076  -0.7980   1.4143
 G0M  H35  H  HNH1  0   0.409   3.0834  -0.7908   1.4498

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
 G0M  C01  C02  single    1.524  0.020  1.524
 G0M  C33  C32  aromatic  1.387  0.020  1.387
 G0M  C33  C34  aromatic  1.389  0.020  1.389
 G0M  C32  C31  aromatic  1.393  0.020  1.393
 G0M  C27  C28  aromatic  1.386  0.020  1.386
 G0M  C27  N26  aromatic  1.328  0.020  1.328
 G0M  C04  C02  single    1.525  0.020  1.525
 G0M  C28  C29  aromatic  1.386  0.020  1.386
 G0M  C02  O05  single    1.451  0.020  1.451
 G0M  C02  C03  single    1.524  0.020  1.524
 G0M  C30  C31  single    1.502  0.020  1.502
 G0M  C30  C09  single    1.538  0.020  1.538
 G0M  N26  C25  aromatic  1.327  0.020  1.327
 G0M  C34  C35  aromatic  1.388  0.020  1.388
 G0M  O05  C06  single    1.332  0.020  1.332
 G0M  C31  C36  aromatic  1.392  0.020  1.392
 G0M  N08  C06  single    1.356  0.020  1.356
 G0M  N08  C09  single    1.444  0.020  1.444
 G0M  C06  O07  double    1.213  0.020  1.213
 G0M  C29  C24  aromatic  1.388  0.020  1.388
 G0M  C09  C10  single    1.523  0.020  1.523
 G0M  C35  C36  aromatic  1.389  0.020  1.389
 G0M  C25  C24  aromatic  1.391  0.020  1.391
 G0M  C24  C23  single    1.507  0.020  1.507
 G0M  C10  S11  single    1.816  0.020  1.816
 G0M  C12  C13  single    1.530  0.020  1.530
 G0M  C12  C20  single    1.518  0.020  1.518
 G0M  C12  S11  single    1.825  0.020  1.825
 G0M  N22  C23  single    1.441  0.020  1.441
 G0M  N22  C20  single    1.342  0.020  1.342
 G0M  C13  C14  single    1.505  0.020  1.505
 G0M  C20  O21  double    1.221  0.020  1.221
 G0M  C15  C14  aromatic  1.395  0.020  1.395
 G0M  C15  C16  aromatic  1.387  0.020  1.387
 G0M  C14  C19  aromatic  1.393  0.020  1.393
 G0M  C16  C17  aromatic  1.390  0.020  1.390
 G0M  C19  C18  aromatic  1.390  0.020  1.390
 G0M  C17  C18  aromatic  1.388  0.020  1.388
 G0M  C10  H1   single    0.970  0.020  1.090
 G0M  C10  H2   single    0.970  0.020  1.090
 G0M  C12  H3   single    0.970  0.020  1.090
 G0M  C13  H4   single    0.970  0.020  1.090
 G0M  C13  H5   single    0.970  0.020  1.090
 G0M  C15  H6   single    0.930  0.020  1.080
 G0M  C16  H7   single    0.930  0.020  1.080
 G0M  C17  H8   single    0.930  0.020  1.080
 G0M  C18  H9   single    0.930  0.020  1.080
 G0M  C01  H10  single    0.970  0.020  1.090
 G0M  C01  H11  single    0.970  0.020  1.090
 G0M  C01  H12  single    0.970  0.020  1.090
 G0M  C03  H13  single    0.970  0.020  1.090
 G0M  C03  H14  single    0.970  0.020  1.090
 G0M  C03  H15  single    0.970  0.020  1.090
 G0M  C04  H16  single    0.970  0.020  1.090
 G0M  C04  H17  single    0.970  0.020  1.090
 G0M  C04  H18  single    0.970  0.020  1.090
 G0M  C09  H19  single    0.970  0.020  1.090
 G0M  C19  H20  single    0.930  0.020  1.080
 G0M  C23  H21  single    0.970  0.020  1.090
 G0M  C23  H22  single    0.970  0.020  1.090
 G0M  C25  H23  single    0.930  0.020  1.080
 G0M  C27  H24  single    0.930  0.020  1.080
 G0M  C28  H25  single    0.930  0.020  1.080
 G0M  C29  H26  single    0.930  0.020  1.080
 G0M  C30  H27  single    0.970  0.020  1.090
 G0M  C30  H28  single    0.970  0.020  1.090
 G0M  C32  H29  single    0.930  0.020  1.080
 G0M  C33  H30  single    0.930  0.020  1.080
 G0M  C34  H31  single    0.930  0.020  1.080
 G0M  C35  H32  single    0.930  0.020  1.080
 G0M  C36  H33  single    0.930  0.020  1.080
 G0M  N08  H34  single    0.860  0.020  1.020
 G0M  N22  H35  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
 G0M  H2   C10  H1   108.04  3.000
 G0M  H2   C10  S11  109.65  3.000
 G0M  H1   C10  S11  109.65  3.000
 G0M  H2   C10  C09  111.19  3.000
 G0M  H1   C10  C09  108.88  3.000
 G0M  S11  C10  C09  109.41  3.000
 G0M  H3   C12  S11  107.60  3.000
 G0M  H3   C12  C20  110.45  3.000
 G0M  S11  C12  C20  105.75  3.000
 G0M  H3   C12  C13  110.16  3.000
 G0M  S11  C12  C13  112.02  3.000
 G0M  C20  C12  C13  110.74  3.000
 G0M  H5   C13  H4   106.85  3.000
 G0M  H5   C13  C14  109.97  3.000
 G0M  H4   C13  C14  110.21  3.000
 G0M  H5   C13  C12  108.53  3.000
 G0M  H4   C13  C12  109.06  3.000
 G0M  C14  C13  C12  112.06  3.000
 G0M  C19  C14  C15  118.61  3.000
 G0M  C19  C14  C13  120.80  3.000
 G0M  C15  C14  C13  120.58  3.000
 G0M  H6   C15  C16  119.57  3.000
 G0M  H6   C15  C14  119.63  3.000
 G0M  C16  C15  C14  120.80  3.000
 G0M  H7   C16  C17  120.01  3.000
 G0M  H7   C16  C15  119.89  3.000
 G0M  C17  C16  C15  120.10  3.000
 G0M  H8   C17  C18  120.22  3.000
 G0M  H8   C17  C16  120.17  3.000
 G0M  C18  C17  C16  119.61  3.000
 G0M  H9   C18  C19  119.86  3.000
 G0M  H9   C18  C17  120.03  3.000
 G0M  C19  C18  C17  120.11  3.000
 G0M  H12  C01  H11  107.79  3.000
 G0M  H12  C01  H10  108.58  3.000
 G0M  H11  C01  H10  107.52  3.000
 G0M  H12  C01  C02  112.64  3.000
 G0M  H11  C01  C02  109.20  3.000
 G0M  H10  C01  C02  110.94  3.000
 G0M  O05  C02  C04  102.97  3.000
 G0M  O05  C02  C03  110.79  3.000
 G0M  C04  C02  C03  109.84  3.000
 G0M  C03  C02  C01  112.06  3.000
 G0M  O05  C02  C01  111.18  3.000
 G0M  C04  C02  C01  109.63  3.000
 G0M  H15  C03  H14  108.19  3.000
 G0M  H15  C03  H13  107.88  3.000
 G0M  H14  C03  H13  107.97  3.000
 G0M  H15  C03  C02  112.52  3.000
 G0M  H14  C03  C02  110.97  3.000
 G0M  H13  C03  C02  109.16  3.000
 G0M  H18  C04  H17  107.87  3.000
 G0M  H18  C04  H16  107.84  3.000
 G0M  H17  C04  H16  108.46  3.000
 G0M  H18  C04  C02  109.84  3.000
 G0M  H17  C04  C02  111.38  3.000
 G0M  H16  C04  C02  111.32  3.000
 G0M  O07  C06  O05  125.81  3.000
 G0M  O07  C06  N08  124.39  3.000
 G0M  O05  C06  N08  109.77  3.000
 G0M  H19  C09  N08  107.10  3.000
 G0M  H19  C09  C30  108.88  3.000
 G0M  N08  C09  C30  111.47  3.000
 G0M  H19  C09  C10  108.33  3.000
 G0M  N08  C09  C10  110.65  3.000
 G0M  C30  C09  C10  110.29  3.000
 G0M  H20  C19  C18  119.84  3.000
 G0M  H20  C19  C14  119.38  3.000
 G0M  C18  C19  C14  120.77  3.000
 G0M  O21  C20  N22  124.28  3.000
 G0M  O21  C20  C12  120.80  3.000
 G0M  N22  C20  C12  114.92  3.000
 G0M  H22  C23  H21  106.63  3.000
 G0M  H22  C23  N22  109.54  3.000
 G0M  H21  C23  N22  108.01  3.000
 G0M  H22  C23  C24  109.69  3.000
 G0M  H21  C23  C24  109.74  3.000
 G0M  N22  C23  C24  113.02  3.000
 G0M  C29  C24  C25  117.31  3.000
 G0M  C25  C24  C23  120.08  3.000
 G0M  C29  C24  C23  122.59  3.000
 G0M  H23  C25  N26  116.29  3.000
 G0M  H23  C25  C24  119.62  3.000
 G0M  N26  C25  C24  124.09  3.000
 G0M  H24  C27  N26  116.68  3.000
 G0M  H24  C27  C28  120.39  3.000
 G0M  N26  C27  C28  122.93  3.000
 G0M  H25  C28  C29  120.89  3.000
 G0M  H25  C28  C27  120.43  3.000
 G0M  C29  C28  C27  118.68  3.000
 G0M  H26  C29  C28  120.04  3.000
 G0M  H26  C29  C24  120.83  3.000
 G0M  C28  C29  C24  119.13  3.000
 G0M  H28  C30  H27  106.97  3.000
 G0M  H28  C30  C31  110.32  3.000
 G0M  H27  C30  C31  110.16  3.000
 G0M  H28  C30  C09  108.44  3.000
 G0M  H27  C30  C09  108.91  3.000
 G0M  C31  C30  C09  111.90  3.000
 G0M  C36  C31  C32  118.52  3.000
 G0M  C36  C31  C30  120.91  3.000
 G0M  C32  C31  C30  120.52  3.000
 G0M  H29  C32  C33  119.76  3.000
 G0M  H29  C32  C31  119.36  3.000
 G0M  C33  C32  C31  120.88  3.000
 G0M  H30  C33  C34  120.03  3.000
 G0M  H30  C33  C32  119.89  3.000
 G0M  C34  C33  C32  120.09  3.000
 G0M  H31  C34  C35  120.25  3.000
 G0M  H31  C34  C33  120.20  3.000
 G0M  C35  C34  C33  119.56  3.000
 G0M  H32  C35  C36  119.79  3.000
 G0M  H32  C35  C34  120.10  3.000
 G0M  C36  C35  C34  120.11  3.000
 G0M  H33  C36  C35  119.57  3.000
 G0M  H33  C36  C31  119.59  3.000
 G0M  C35  C36  C31  120.84  3.000
 G0M  H34  N08  C09  117.30  3.000
 G0M  H34  N08  C06  117.58  3.000
 G0M  C09  N08  C06  122.54  3.000
 G0M  H35  N22  C23  117.32  3.000
 G0M  H35  N22  C20  118.53  3.000
 G0M  C23  N22  C20  124.15  3.000
 G0M  C27  N26  C25  117.85  3.000
 G0M  C06  O05  C02  122.54  3.000
 G0M  C12  S11  C10   99.46  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
 G0M  CONST_01  C17  C16  C15  C14     0.00   0.0  0
 G0M  CONST_02  C17  C18  C19  C14     0.00   0.0  0
 G0M  CONST_03  C18  C19  C14  C15     0.00   0.0  0
 G0M  CONST_04  C18  C17  C16  C15     0.00   0.0  0
 G0M  CONST_05  C19  C14  C15  C16     0.00   0.0  0
 G0M  CONST_06  C19  C18  C17  C16     0.00   0.0  0
 G0M  CONST_07  C27  C28  C29  C24     0.00   0.0  0
 G0M  CONST_08  C27  N26  C25  C24     0.00   0.0  0
 G0M  CONST_09  C28  C27  N26  C25     0.00   0.0  0
 G0M  CONST_10  C28  C29  C24  C25     0.00   0.0  0
 G0M  CONST_11  N26  C27  C28  C29     0.00   0.0  0
 G0M  CONST_12  N26  C25  C24  C29     0.00   0.0  0
 G0M  CONST_13  C34  C33  C32  C31     0.00   0.0  0
 G0M  CONST_14  C34  C35  C36  C31     0.00   0.0  0
 G0M  CONST_15  C35  C34  C33  C32     0.00   0.0  0
 G0M  CONST_16  C35  C36  C31  C32     0.00   0.0  0
 G0M  CONST_17  C36  C31  C32  C33     0.00   0.0  0
 G0M  CONST_18  C36  C35  C34  C33     0.00   0.0  0
 G0M  CONST_19  C16  C15  C14  C13   180.00   0.0  0
 G0M  CONST_20  C18  C19  C14  C13   180.00   0.0  0
 G0M  CONST_21  C28  C29  C24  C23   180.00   0.0  0
 G0M  CONST_22  N26  C25  C24  C23   180.00   0.0  0
 G0M  CONST_23  C33  C32  C31  C30   180.00   0.0  0
 G0M  CONST_24  C35  C36  C31  C30   180.00   0.0  0
 G0M  CONST_25  H7   C16  C15  C14   180.00   0.0  0
 G0M  CONST_26  H9   C18  C19  C14   180.00   0.0  0
 G0M  CONST_27  H20  C19  C14  C15   180.00   0.0  0
 G0M  CONST_28  H8   C17  C16  C15   180.00   0.0  0
 G0M  CONST_29  H6   C15  C16  C17   180.00   0.0  0
 G0M  CONST_30  H25  C28  C29  C24   180.00   0.0  0
 G0M  CONST_31  H24  C27  N26  C25   180.00   0.0  0
 G0M  CONST_32  H26  C29  C24  C25   180.00   0.0  0
 G0M  CONST_33  H23  C25  N26  C27   180.00   0.0  0
 G0M  CONST_34  H30  C33  C32  C31   180.00   0.0  0
 G0M  CONST_35  H32  C35  C36  C31   180.00   0.0  0
 G0M  CONST_36  H31  C34  C33  C32   180.00   0.0  0
 G0M  CONST_37  H33  C36  C31  C32   180.00   0.0  0
 G0M  CONST_38  H29  C32  C33  C34   180.00   0.0  0
 G0M  CONST_39  C23  N22  C20  C12   180.00   0.0  0
 G0M  CONST_40  O21  C20  N22  C23     0.00   0.0  0
 G0M  CONST_41  H35  N22  C20  C12     0.00   0.0  0
 G0M  Var_01    C15  C14  C13  C12   -69.06  30.0  2
 G0M  Var_02    C32  C31  C30  C09   -81.82  30.0  2
 G0M  Var_03    N22  C23  C24  C25   151.06  30.0  2
 G0M  Var_04    C24  C23  N22  C20   112.49  30.0  3
 G0M  Var_05    C09  C10  S11  C12   164.36  30.0  2
 G0M  Var_06    N08  C06  O05  C02   177.72  30.0  3
 G0M  Var_07    O05  C06  N08  C09  -168.06  30.0  2
 G0M  Var_08    H16  C04  C02  C01    56.95  30.0  3
 G0M  Var_09    H13  C03  C02  C01    64.58  30.0  3
 G0M  Var_10    H10  C01  C02  C03   174.54  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
 G0M  chir_01  C12  C13  C20  S11  positiv
 G0M  chir_02  C09  N08  C30  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
 G0M  plan-1  C13  0.020
 G0M  plan-1  C14  0.020
 G0M  plan-1  C15  0.020
 G0M  plan-1  C16  0.020
 G0M  plan-1  C17  0.020
 G0M  plan-1  C18  0.020
 G0M  plan-1  C19  0.020
 G0M  plan-1  H6   0.020
 G0M  plan-1  H7   0.020
 G0M  plan-1  H8   0.020
 G0M  plan-1  H9   0.020
 G0M  plan-1  H20  0.020
 G0M  plan-2  C23  0.020
 G0M  plan-2  C24  0.020
 G0M  plan-2  C25  0.020
 G0M  plan-2  C27  0.020
 G0M  plan-2  C28  0.020
 G0M  plan-2  C29  0.020
 G0M  plan-2  N26  0.020
 G0M  plan-2  H23  0.020
 G0M  plan-2  H24  0.020
 G0M  plan-2  H25  0.020
 G0M  plan-2  H26  0.020
 G0M  plan-3  C30  0.020
 G0M  plan-3  C31  0.020
 G0M  plan-3  C32  0.020
 G0M  plan-3  C33  0.020
 G0M  plan-3  C34  0.020
 G0M  plan-3  C35  0.020
 G0M  plan-3  C36  0.020
 G0M  plan-3  H29  0.020
 G0M  plan-3  H30  0.020
 G0M  plan-3  H31  0.020
 G0M  plan-3  H32  0.020
 G0M  plan-3  H33  0.020
 G0M  plan-4  C12  0.020
 G0M  plan-4  C20  0.020
 G0M  plan-4  C23  0.020
 G0M  plan-4  N22  0.020
 G0M  plan-4  O21  0.020
 G0M  plan-4  H35  0.020
 G0M  plan-5  C06  0.020
 G0M  plan-5  N08  0.020
 G0M  plan-5  O05  0.020
 G0M  plan-5  O07  0.020

