# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Jul 31 03:10:22 2022
#   Inital geometry file: a 137 line input string
#   Ligand name: 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC1(C)C(=O)N(Cc2c(F)cccc2Cl)c3cc(ccc13)C(=O)NCc4c(F)cc(F)cc4F
#
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
 9IM  9IM  "1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide"
  ligand  53  34  .  2022-09-16  2022-09-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_9IM
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
 9IM  C11   C   CR16  0  -0.394   97.0471  102.0990  66.6737
 9IM  C12   C   CR16  0  -0.256   96.7720  102.2879  65.3296
 9IM  C13   C   CR16  0  -0.216   95.4613  102.3342  64.8811
 9IM  C14   C   CR6   0  -0.079   94.4276  102.1870  65.7924
 9IM  C16   C   CR56  0   0.432   93.0455   99.3761  67.7180
 9IM  C17   C   CR16  0  -0.342   94.3028   98.8209  67.8509
 9IM  C23   C   CR6   0  -0.303   99.0084   97.9673  68.4367
 9IM  C24   C   CR6   0   0.576   99.2592   98.3737  67.1321
 9IM  C27   C   CR6   0   0.557  100.8190   99.9933  67.8286
 9IM  C29   C   CR16  0  -0.572  100.6193   99.6595  69.1520
 9IM  C30   C   CR6   0   0.571   99.7121   98.6507  69.4175
 9IM  C02   C   CR5   0  -0.318   90.7155   99.4714  67.3673
 9IM  C03   C   CH3   0  -0.628   90.0844   99.5170  65.9732
 9IM  C04   C   CR5   0   0.593   91.3018  100.8406  67.7090
 9IM  C08   C   CR6   0  -0.016   94.6534  101.9764  67.1525
 9IM  C09   C   CR6   0   0.523   95.9865  101.9513  67.5445
 9IM  C18   C   CR6   0  -0.048   94.4409   97.4451  67.6407
 9IM  C19   C   C     0   0.534   95.7746   96.7719  67.7280
 9IM  C22   C   CH2   0  -0.348   98.0180   96.8755  68.7445
 9IM  C26   C   CR16  0  -0.569  100.1510   99.3701  66.7914
 9IM  C32   C   CR16  0  -0.283   93.3378   96.6683  67.3028
 9IM  C33   C   CR16  0  -0.324   92.0740   97.2436  67.1982
 9IM  C34   C   CR56  0   0.103   91.9330   98.5974  67.4079
 9IM  F10   F   F     0  -0.309   96.2645  101.7564  68.8426
 9IM  F25   F   F     0  -0.296   98.6023   97.7557  66.1469
 9IM  F28   F   F     0  -0.300  101.6962  100.9560  67.5382
 9IM  F31   F   F     0  -0.298   99.5096   98.3216  70.6968
 9IM  N06   N   NR5   0  -0.596   92.6576  100.7062  67.8628
 9IM  N21   N   NH1   0  -0.642   96.6575   97.3337  68.5767
 9IM  O20   O   O     0  -0.476   96.0194   95.7728  67.0690
 9IM  CL1   CL  CL    0  -0.099   92.8053  102.2951  65.2019
 9IM  H111  H   HCR6  0   0.288   98.0631  102.0666  67.0440
 9IM  H121  H   HCR6  0   0.282   97.5841  102.4035  64.6251
 9IM  H131  H   HCR6  0   0.286   95.2440  102.4911  63.8338
 9IM  H171  H   HCR6  0   0.271   95.1618   99.4301  68.0894
 9IM  H291  H   HCR6  0   0.308  101.1494  100.1615  69.9503
 9IM  H011  H   HCH3  0   0.242   90.1119   99.0413  69.4202
 9IM  H012  H   HCH3  0   0.244   88.8478   99.7759  68.4254
 9IM  H013  H   HCH3  0   0.247   89.2822   98.0820  68.1918
 9IM  H031  H   HCH3  0   0.244   89.2562  100.2256  65.9500
 9IM  H032  H   HCH3  0   0.238   90.8095   99.8057  65.2123
 9IM  H033  H   HCH3  0   0.247   89.6933   98.5332  65.7126
 9IM  H071  H   HCH2  0   0.296   93.9528  101.6859  69.1609
 9IM  H072  H   HCH2  0   0.302   92.9284  102.7118  68.1836
 9IM  H222  H   HCH2  0   0.279   98.1625   96.5123  69.7614
 9IM  H221  H   HCH2  0   0.282   98.1765   96.0240  68.0864
 9IM  H261  H   HCR6  0   0.308  100.3211   99.6442  65.7586
 9IM  H321  H   HCR6  0   0.258   93.4605   95.6075  67.1332
 9IM  H331  H   HCR6  0   0.258   91.2155   96.6298  66.9547
 9IM  H211  H   HNH1  0   0.411   96.3527   98.0745  69.1879
 9IM  C07   C   CH2   0  -0.397   93.5408  101.8099  68.1597
 9IM  O05   O   O     0  -0.441   90.6835  101.8738  67.8297
 9IM  C01   C   CH3   0  -0.630   89.6797   99.0713  68.4197

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
 9IM  C13  C12   aromatic  1.386  0.020  1.386
 9IM  C13  C14   aromatic  1.386  0.020  1.386
 9IM  C12  C11   aromatic  1.385  0.020  1.385
 9IM  CL1  C14   single    1.730  0.020  1.730
 9IM  C14  C08   aromatic  1.395  0.020  1.395
 9IM  C11  C09   aromatic  1.380  0.020  1.380
 9IM  C03  C02   single    1.531  0.020  1.531
 9IM  C08  C09   aromatic  1.390  0.020  1.390
 9IM  C08  C07   single    1.510  0.020  1.510
 9IM  F25  C24   single    1.336  0.020  1.336
 9IM  O20  C19   double    1.222  0.020  1.222
 9IM  C09  F10   single    1.342  0.020  1.342
 9IM  C33  C32   aromatic  1.392  0.020  1.392
 9IM  C33  C34   aromatic  1.377  0.020  1.377
 9IM  C32  C18   aromatic  1.391  0.020  1.391
 9IM  C02  C34   single    1.499  0.020  1.499
 9IM  C02  C04   single    1.528  0.020  1.528
 9IM  C02  C01   single    1.530  0.020  1.530
 9IM  C34  C16   aromatic  1.393  0.020  1.393
 9IM  C18  C19   single    1.497  0.020  1.497
 9IM  C18  C17   aromatic  1.399  0.020  1.399
 9IM  C04  O05   double    1.210  0.020  1.210
 9IM  C04  N06   single    1.371  0.020  1.371
 9IM  C16  C17   aromatic  1.381  0.020  1.381
 9IM  C16  N06   single    1.393  0.020  1.393
 9IM  C19  N21   single    1.347  0.020  1.347
 9IM  C24  C26   aromatic  1.380  0.020  1.380
 9IM  C24  C23   aromatic  1.389  0.020  1.389
 9IM  C26  C27   aromatic  1.382  0.020  1.382
 9IM  N06  C07   single    1.444  0.020  1.444
 9IM  N21  C22   single    1.445  0.020  1.445
 9IM  C22  C23   single    1.506  0.020  1.506
 9IM  C23  C30   aromatic  1.387  0.020  1.387
 9IM  C27  F28   single    1.334  0.020  1.334
 9IM  C27  C29   aromatic  1.379  0.020  1.379
 9IM  C30  C29   aromatic  1.382  0.020  1.382
 9IM  C30  F31   single    1.336  0.020  1.336
 9IM  C11  H111  single    0.930  0.020  1.080
 9IM  C12  H121  single    0.930  0.020  1.080
 9IM  C13  H131  single    0.930  0.020  1.080
 9IM  C17  H171  single    0.930  0.020  1.080
 9IM  C29  H291  single    0.930  0.020  1.080
 9IM  C01  H011  single    0.970  0.020  1.090
 9IM  C01  H012  single    0.970  0.020  1.090
 9IM  C01  H013  single    0.970  0.020  1.090
 9IM  C03  H031  single    0.970  0.020  1.090
 9IM  C03  H032  single    0.970  0.020  1.090
 9IM  C03  H033  single    0.970  0.020  1.090
 9IM  C07  H071  single    0.970  0.020  1.090
 9IM  C07  H072  single    0.970  0.020  1.090
 9IM  C22  H222  single    0.970  0.020  1.090
 9IM  C22  H221  single    0.970  0.020  1.090
 9IM  C26  H261  single    0.930  0.020  1.080
 9IM  C32  H321  single    0.930  0.020  1.080
 9IM  C33  H331  single    0.930  0.020  1.080
 9IM  N21  H211  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
 9IM  H111  C11  C09   120.16  3.000
 9IM  H111  C11  C12   121.52  3.000
 9IM  C09   C11  C12   118.32  3.000
 9IM  H121  C12  C13   119.72  3.000
 9IM  H121  C12  C11   119.85  3.000
 9IM  C13   C12  C11   120.43  3.000
 9IM  H131  C13  C14   120.17  3.000
 9IM  H131  C13  C12   120.56  3.000
 9IM  C14   C13  C12   119.27  3.000
 9IM  CL1   C14  C08   119.61  3.000
 9IM  C08   C14  C13   122.45  3.000
 9IM  CL1   C14  C13   117.93  3.000
 9IM  N06   C16  C34   109.55  3.000
 9IM  N06   C16  C17   128.86  3.000
 9IM  C34   C16  C17   121.59  3.000
 9IM  H171  C17  C18   120.64  3.000
 9IM  H171  C17  C16   121.25  3.000
 9IM  C18   C17  C16   118.09  3.000
 9IM  C22   C23  C30   123.11  3.000
 9IM  C30   C23  C24   115.36  3.000
 9IM  C22   C23  C24   121.52  3.000
 9IM  F25   C24  C26   118.02  3.000
 9IM  C26   C24  C23   124.04  3.000
 9IM  F25   C24  C23   117.94  3.000
 9IM  F28   C27  C26   118.67  3.000
 9IM  F28   C27  C29   118.59  3.000
 9IM  C26   C27  C29   122.74  3.000
 9IM  H291  C29  C30   121.23  3.000
 9IM  H291  C29  C27   121.64  3.000
 9IM  C30   C29  C27   117.12  3.000
 9IM  F31   C30  C29   117.58  3.000
 9IM  F31   C30  C23   118.60  3.000
 9IM  C29   C30  C23   123.82  3.000
 9IM  C34   C02  C04   101.81  3.000
 9IM  C04   C02  C03   109.58  3.000
 9IM  C34   C02  C03   112.13  3.000
 9IM  C04   C02  C01   109.90  3.000
 9IM  C34   C02  C01   112.26  3.000
 9IM  C03   C02  C01   110.80  3.000
 9IM  H033  C03  H032  108.11  3.000
 9IM  H033  C03  H031  107.99  3.000
 9IM  H032  C03  H031  108.57  3.000
 9IM  H033  C03  C02   109.79  3.000
 9IM  H032  C03  C02   111.67  3.000
 9IM  H031  C03  C02   110.60  3.000
 9IM  O05   C04  N06   125.29  3.000
 9IM  N06   C04  C02   108.46  3.000
 9IM  O05   C04  C02   126.24  3.000
 9IM  C09   C08  C07   121.11  3.000
 9IM  C07   C08  C14   123.22  3.000
 9IM  C09   C08  C14   115.66  3.000
 9IM  F10   C09  C08   118.31  3.000
 9IM  F10   C09  C11   117.83  3.000
 9IM  C08   C09  C11   123.86  3.000
 9IM  C32   C18  C19   118.02  3.000
 9IM  C19   C18  C17   121.45  3.000
 9IM  C32   C18  C17   120.51  3.000
 9IM  O20   C19  N21   123.33  3.000
 9IM  N21   C19  C18   115.67  3.000
 9IM  O20   C19  C18   121.00  3.000
 9IM  H221  C22  H222  106.53  3.000
 9IM  H221  C22  N21   108.37  3.000
 9IM  H222  C22  N21   109.81  3.000
 9IM  H221  C22  C23   110.36  3.000
 9IM  H222  C22  C23   110.20  3.000
 9IM  N21   C22  C23   111.44  3.000
 9IM  H261  C26  C27   121.74  3.000
 9IM  H261  C26  C24   121.34  3.000
 9IM  C27   C26  C24   116.91  3.000
 9IM  H321  C32  C33   119.77  3.000
 9IM  H321  C32  C18   119.74  3.000
 9IM  C33   C32  C18   120.49  3.000
 9IM  H331  C33  C34   120.68  3.000
 9IM  H331  C33  C32   120.14  3.000
 9IM  C34   C33  C32   119.18  3.000
 9IM  C33   C34  C02   130.70  3.000
 9IM  C02   C34  C16   109.19  3.000
 9IM  C33   C34  C16   120.11  3.000
 9IM  C07   N06  C04   123.56  3.000
 9IM  C07   N06  C16   125.50  3.000
 9IM  C04   N06  C16   110.93  3.000
 9IM  H211  N21  C22   116.58  3.000
 9IM  H211  N21  C19   119.37  3.000
 9IM  C22   N21  C19   123.90  3.000
 9IM  H072  C07  H071  106.63  3.000
 9IM  H072  C07  N06   107.04  3.000
 9IM  H071  C07  N06   109.46  3.000
 9IM  H072  C07  C08   109.71  3.000
 9IM  H071  C07  C08   110.29  3.000
 9IM  N06   C07  C08   113.43  3.000
 9IM  H013  C01  H012  108.02  3.000
 9IM  H013  C01  H011  108.14  3.000
 9IM  H012  C01  H011  108.39  3.000
 9IM  H013  C01  C02   109.90  3.000
 9IM  H012  C01  C02   110.56  3.000
 9IM  H011  C01  C02   111.72  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
 9IM  CONST_01  C14   C13  C12  C11     0.00   0.0  0
 9IM  CONST_02  C14   C08  C09  C11     0.00   0.0  0
 9IM  CONST_03  C08   C14  C13  C12     0.00   0.0  0
 9IM  CONST_04  C08   C09  C11  C12     0.00   0.0  0
 9IM  CONST_05  C09   C11  C12  C13     0.00   0.0  0
 9IM  CONST_06  C09   C08  C14  C13     0.00   0.0  0
 9IM  CONST_07  C32   C33  C34  C16     0.00   0.0  0
 9IM  CONST_08  C32   C18  C17  C16     0.00   0.0  0
 9IM  CONST_09  C33   C32  C18  C17     0.00   0.0  0
 9IM  CONST_10  C33   C34  C16  C17     0.00   0.0  0
 9IM  CONST_11  C27   C26  C24  C23     0.00   0.0  0
 9IM  CONST_12  C27   C29  C30  C23     0.00   0.0  0
 9IM  CONST_13  C29   C27  C26  C24     0.00   0.0  0
 9IM  CONST_14  C29   C30  C23  C24     0.00   0.0  0
 9IM  CONST_15  C26   C24  C23  C30     0.00   0.0  0
 9IM  CONST_16  C26   C27  C29  C30     0.00   0.0  0
 9IM  CONST_17  C34   C33  C32  C18     0.00   0.0  0
 9IM  CONST_18  C34   C16  C17  C18     0.00   0.0  0
 9IM  CONST_19  C02   C04  N06  C16     0.00   0.0  0
 9IM  CONST_20  C07   C08  C09  C11   180.00   0.0  0
 9IM  CONST_21  CL1   C14  C13  C12   180.00   0.0  0
 9IM  CONST_22  F10   C09  C11  C12   180.00   0.0  0
 9IM  CONST_23  C07   C08  C14  C13   180.00   0.0  0
 9IM  CONST_24  F10   C09  C08  C14   180.00   0.0  0
 9IM  CONST_25  C19   C18  C17  C16   180.00   0.0  0
 9IM  CONST_26  F28   C27  C26  C24   180.00   0.0  0
 9IM  CONST_27  F31   C30  C23  C24   180.00   0.0  0
 9IM  CONST_28  F25   C24  C26  C27   180.00   0.0  0
 9IM  CONST_29  F31   C30  C29  C27   180.00   0.0  0
 9IM  CONST_30  C22   C23  C30  C29   180.00   0.0  0
 9IM  CONST_31  F25   C24  C23  C30   180.00   0.0  0
 9IM  CONST_32  F28   C27  C29  C30   180.00   0.0  0
 9IM  CONST_33  CL1   C14  C08  C09   180.00   0.0  0
 9IM  CONST_34  C33   C32  C18  C19   180.00   0.0  0
 9IM  CONST_35  C26   C24  C23  C22   180.00   0.0  0
 9IM  CONST_36  O05   C04  N06  C16   180.00   0.0  0
 9IM  CONST_37  C07   N06  C04  C02   180.00   0.0  0
 9IM  CONST_38  H131  C13  C12  C11   180.00   0.0  0
 9IM  CONST_39  H111  C11  C12  C13   180.00   0.0  0
 9IM  CONST_40  H121  C12  C13  C14   180.00   0.0  0
 9IM  CONST_41  H331  C33  C34  C16   180.00   0.0  0
 9IM  CONST_42  H321  C32  C18  C17   180.00   0.0  0
 9IM  CONST_43  H261  C26  C24  C23   180.00   0.0  0
 9IM  CONST_44  H291  C29  C30  C23   180.00   0.0  0
 9IM  CONST_45  H261  C26  C27  C29   180.00   0.0  0
 9IM  CONST_46  H331  C33  C34  C02     0.00   0.0  0
 9IM  CONST_47  H131  C13  C14  C08   180.00   0.0  0
 9IM  CONST_48  H111  C11  C09  C08   180.00   0.0  0
 9IM  CONST_49  H121  C12  C11  C09   180.00   0.0  0
 9IM  CONST_50  H331  C33  C32  C18   180.00   0.0  0
 9IM  CONST_51  H291  C29  C27  C26   180.00   0.0  0
 9IM  CONST_52  H171  C17  C18  C32   180.00   0.0  0
 9IM  CONST_53  H321  C32  C33  C34   180.00   0.0  0
 9IM  CONST_54  H171  C17  C16  C34   180.00   0.0  0
 9IM  CONST_55  H171  C17  C16  N06     0.00   0.0  0
 9IM  CONST_56  O05   C04  N06  C07     0.00   0.0  0
 9IM  CONST_57  C22   N21  C19  C18   180.00   0.0  0
 9IM  CONST_58  H211  N21  C19  C18     0.00   0.0  0
 9IM  CONST_59  O20   C19  N21  C22     0.00   0.0  0
 9IM  CONST_60  H211  N21  C19  O20   180.00   0.0  0
 9IM  Var_01    N06   C07  C08  C14    58.43  30.0  2
 9IM  Var_02    C03   C02  C34  C16   116.58  30.0  1
 9IM  Var_03    C01   C02  C34  C16  -117.93  30.0  1
 9IM  Var_04    C08   C07  N06  C16    57.61  30.0  3
 9IM  Var_05    C33   C34  C02  C01    61.94  30.0  1
 9IM  Var_06    N06   C04  C02  C01   120.97  30.0  1
 9IM  Var_07    C33   C34  C02  C03   -63.55  30.0  1
 9IM  Var_08    N06   C04  C02  C03  -117.06  30.0  1
 9IM  Var_09    C08   C07  N06  C04  -123.60  30.0  3
 9IM  Var_10    N06   C07  C08  C09  -122.78  30.0  2
 9IM  Var_11    O20   C19  C18  C17  -150.53  30.0  2
 9IM  Var_12    N21   C19  C18  C17    29.96  30.0  2
 9IM  Var_13    N21   C22  C23  C24   -73.68  30.0  2
 9IM  Var_14    N21   C22  C23  C30   105.15  30.0  2
 9IM  Var_15    O05   C04  C02  C01   -58.84  30.0  1
 9IM  Var_16    O05   C04  C02  C03    63.13  30.0  1
 9IM  Var_17    O20   C19  C18  C32    27.57  30.0  2
 9IM  Var_18    N21   C19  C18  C32  -151.94  30.0  2
 9IM  Var_19    H071  C07  C08  C14  -178.39  30.0  2
 9IM  Var_20    H072  C07  C08  C14   -61.22  30.0  2
 9IM  Var_21    H071  C07  N06  C16   -66.04  30.0  3
 9IM  Var_22    H072  C07  N06  C16   178.76  30.0  3
 9IM  Var_23    H222  C22  C23  C24   164.15  30.0  2
 9IM  Var_24    H221  C22  C23  C24    46.77  30.0  2
 9IM  Var_25    H222  C22  C23  C30   -17.02  30.0  2
 9IM  Var_26    H221  C22  C23  C30  -134.40  30.0  2
 9IM  Var_27    H031  C03  C02  C04   -62.73  30.0  3
 9IM  Var_28    H032  C03  C02  C04    58.29  30.0  3
 9IM  Var_29    H033  C03  C02  C04   178.19  30.0  3
 9IM  Var_30    H011  C01  C02  C04   -58.34  30.0  3
 9IM  Var_31    H012  C01  C02  C04    62.46  30.0  3
 9IM  Var_32    H013  C01  C02  C04  -178.38  30.0  3
 9IM  Var_33    H071  C07  N06  C04   112.76  30.0  3
 9IM  Var_34    H072  C07  N06  C04    -2.45  30.0  3
 9IM  Var_35    H071  C07  C08  C09     0.41  30.0  2
 9IM  Var_36    H072  C07  C08  C09   117.58  30.0  2
 9IM  Var_37    H031  C03  C02  C34  -175.02  30.0  3
 9IM  Var_38    H032  C03  C02  C34   -54.00  30.0  3
 9IM  Var_39    H033  C03  C02  C34    65.90  30.0  3
 9IM  Var_40    H011  C01  C02  C34    54.20  30.0  3
 9IM  Var_41    H012  C01  C02  C34   175.00  30.0  3
 9IM  Var_42    H013  C01  C02  C34   -65.84  30.0  3
 9IM  Var_43    C19   N21  C22  C23   121.24  30.0  2
 9IM  Var_44    H211  N21  C22  C23   -63.33  30.0  2
 9IM  Var_45    H031  C03  C02  C01    58.70  30.0  3
 9IM  Var_46    H032  C03  C02  C01   179.72  30.0  3
 9IM  Var_47    H033  C03  C02  C01   -60.38  30.0  3
 9IM  Var_48    H011  C01  C02  C03  -179.58  30.0  3
 9IM  Var_49    H012  C01  C02  C03   -58.78  30.0  3
 9IM  Var_50    H013  C01  C02  C03    60.38  30.0  3
 9IM  Var_51    H222  C22  N21  C19  -116.37  30.0  3
 9IM  Var_52    H221  C22  N21  C19    -0.38  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
 9IM  plan-1  C11   0.020
 9IM  plan-1  C12   0.020
 9IM  plan-1  C13   0.020
 9IM  plan-1  C14   0.020
 9IM  plan-1  C08   0.020
 9IM  plan-1  C09   0.020
 9IM  plan-1  F10   0.020
 9IM  plan-1  CL1   0.020
 9IM  plan-1  H111  0.020
 9IM  plan-1  H121  0.020
 9IM  plan-1  H131  0.020
 9IM  plan-1  C07   0.020
 9IM  plan-2  C23   0.020
 9IM  plan-2  C24   0.020
 9IM  plan-2  C27   0.020
 9IM  plan-2  C29   0.020
 9IM  plan-2  C30   0.020
 9IM  plan-2  C22   0.020
 9IM  plan-2  C26   0.020
 9IM  plan-2  F25   0.020
 9IM  plan-2  F28   0.020
 9IM  plan-2  F31   0.020
 9IM  plan-2  H291  0.020
 9IM  plan-2  H261  0.020
 9IM  plan-3  C18   0.020
 9IM  plan-3  C19   0.020
 9IM  plan-3  C22   0.020
 9IM  plan-3  N21   0.020
 9IM  plan-3  O20   0.020
 9IM  plan-3  H211  0.020
 9IM  plan-4  C16   0.020
 9IM  plan-4  C17   0.020
 9IM  plan-4  C02   0.020
 9IM  plan-4  C04   0.020
 9IM  plan-4  C18   0.020
 9IM  plan-4  C19   0.020
 9IM  plan-4  C32   0.020
 9IM  plan-4  C33   0.020
 9IM  plan-4  C34   0.020
 9IM  plan-4  N06   0.020
 9IM  plan-4  H171  0.020
 9IM  plan-4  H321  0.020
 9IM  plan-4  H331  0.020
 9IM  plan-4  C07   0.020
 9IM  plan-4  O05   0.020

