# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Apr 30 19:53:57 2020
#   Inital geometry file: a 162 line input string
#   Ligand name: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cn1cc(C2CCN(CC2)C(=O)C3CCCCC3)c4cc(NC(=O)c5cc(ccn5)C#N)ccc14
#
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
 F7M  F7M  4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide  ligand  66  35  .  2021-08-09  2021-08-09  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_F7M
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
 F7M  C11  C  CR15  0  -0.098    1.4800  -2.7723   0.7368
 F7M  C10  C  CH1   0  -0.366    1.6887  -0.2561   0.2280
 F7M  C6   C  CR56  0   0.048   -0.4574  -1.7410   0.3384
 F7M  C7   C  CR5   0   0.066    0.9564  -1.5428   0.4434
 F7M  C9   C  CR16  0  -0.516   -1.5307  -0.8901   0.0747
 F7M  C1   C  CH1   0  -0.411    6.4266   1.1584   0.0137
 F7M  O3   O  O     0  -0.507    5.5327   1.1533  -2.2008
 F7M  C4   C  C     0   0.540   -5.1790  -0.6271  -0.0733
 F7M  O5   O  O     0  -0.463   -5.7669  -1.6233   0.3155
 F7M  C8   C  CR56  0   0.370   -0.7063  -3.1080   0.5854
 F7M  N12  N  NR5   0  -0.526    0.4917  -3.7157   0.8243
 F7M  C13  C  CR16  0  -0.302   -1.9968  -3.6270   0.5681
 F7M  C14  C  CR6   0   0.388   -2.8207  -1.4014   0.0626
 F7M  C15  C  CH2   0  -0.406    2.8970  -0.0908   1.1505
 F7M  C16  C  CH2   0  -0.409    2.1180  -0.0809  -1.2350
 F7M  C17  C  CR16  0  -0.341   -3.0496  -2.7714   0.3054
 F7M  N18  N  NH1   0  -0.760   -3.8521  -0.4909  -0.2200
 F7M  C19  C  CH2   0  -0.333    3.6196   1.2186   0.8608
 F7M  C20  C  CH2   0  -0.323    2.8907   1.2165  -1.4409
 F7M  N21  N  NT    0  -0.451    4.0245   1.2828  -0.5328
 F7M  C22  C  CR6   0   0.140   -5.9475   0.6138  -0.4430
 F7M  N23  N  N     0  -0.431   -5.2608   1.6672  -0.8659
 F7M  C24  C  CR16  0  -0.036   -5.9105   2.7708  -1.1964
 F7M  C25  C  CR16  0  -0.309   -7.2911   2.8811  -1.1204
 F7M  C26  C  CR6   0   0.119   -8.0041   1.7753  -0.6743
 F7M  C27  C  CR16  0  -0.292   -7.3288   0.6114  -0.3257
 F7M  C28  C  CSP   0   0.072   -9.4295   1.8319  -0.5719
 F7M  N29  N  NS    0  -0.226  -10.5762   1.8783  -0.4891
 F7M  C30  C  CH2   0  -0.403    7.6829   0.5081  -0.5640
 F7M  C31  C  CH2   0  -0.438    8.8063   0.4995   0.4687
 F7M  C32  C  CH2   0  -0.429    9.1229   1.9074   0.9625
 F7M  C33  C  CH2   0  -0.431    7.8735   2.5887   1.5097
 F7M  C34  C  CH2   0  -0.426    6.7433   2.5864   0.4853
 F7M  C35  C  CH3   0  -0.529    0.6757  -5.1171   1.1058
 F7M  H1   H  HCR5  0   0.282    2.5082  -3.0587   0.8985
 F7M  H2   H  HCH1  0   0.230    0.9945   0.5630   0.4588
 F7M  H3   H  HCR6  0   0.255   -1.3641   0.1652  -0.1137
 F7M  H4   H  HCH1  0   0.247    6.1305   0.5653   0.8854
 F7M  H5   H  HCR6  0   0.267   -2.1897  -4.6758   0.7548
 F7M  H6   H  HCH2  0   0.244    2.5770  -0.1058   2.1946
 F7M  H7   H  HCH2  0   0.226    3.5990  -0.9195   1.0151
 F7M  H8   H  HCH2  0   0.226    2.7418  -0.9273  -1.5376
 F7M  H9   H  HCH2  0   0.240    1.2392  -0.0856  -1.8849
 F7M  H10  H  HCR6  0   0.274   -4.0511  -3.1684   0.2874
 F7M  H11  H  HNH1  0   0.422   -3.5581   0.4265  -0.5321
 F7M  H12  H  HCH2  0   0.245    2.9452   2.0592   1.0563
 F7M  H13  H  HCH2  0   0.268    4.4680   1.3437   1.5260
 F7M  H14  H  HCH2  0   0.263    3.2385   1.3034  -2.4661
 F7M  H15  H  HCH2  0   0.238    2.2380   2.0736  -1.2434
 F7M  H16  H  HCR6  0   0.293   -5.3152   3.6084  -1.5368
 F7M  H17  H  HCR6  0   0.306   -7.7873   3.7987  -1.4012
 F7M  H18  H  HCR6  0   0.302   -7.8588  -0.2624   0.0245
 F7M  H19  H  HCH2  0   0.231    7.4648  -0.5125  -0.8874
 F7M  H20  H  HCH2  0   0.216    8.0064   1.0579  -1.4514
 F7M  H21  H  HCH2  0   0.210    8.5133  -0.1258   1.3195
 F7M  H22  H  HCH2  0   0.229    9.6991   0.0386   0.0396
 F7M  H23  H  HCH2  0   0.228    9.9018   1.8750   1.7279
 F7M  H24  H  HCH2  0   0.210    9.5245   2.5007   0.1338
 F7M  H25  H  HCH2  0   0.213    7.5413   2.0671   2.4138
 F7M  H26  H  HCH2  0   0.231    8.0990   3.6150   1.8086
 F7M  H27  H  HCH2  0   0.226    7.0344   3.1856  -0.3843
 F7M  H28  H  HCH2  0   0.242    5.8560   3.0632   0.9085
 F7M  H29  H  HCH3  0   0.252    0.1016  -5.4185   1.9820
 F7M  H30  H  HCH3  0   0.251    0.3676  -5.7316   0.2596
 F7M  H31  H  HCH3  0   0.263    1.7271  -5.3061   1.3042
 F7M  C2   C  C     0   0.588    5.2913   1.1826  -0.9987

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
 F7M  C33  C34  single    1.525  0.020  1.525
 F7M  C33  C32  single    1.525  0.020  1.525
 F7M  C34  C1   single    1.537  0.020  1.537
 F7M  C32  C31  single    1.525  0.020  1.525
 F7M  O3   C2   double    1.226  0.020  1.226
 F7M  C1   C2   single    1.521  0.020  1.521
 F7M  C1   C30  single    1.528  0.020  1.528
 F7M  C2   N21  single    1.353  0.020  1.353
 F7M  C19  N21  single    1.453  0.020  1.453
 F7M  C19  C15  single    1.523  0.020  1.523
 F7M  N21  C20  single    1.454  0.020  1.454
 F7M  C31  C30  single    1.526  0.020  1.526
 F7M  C20  C16  single    1.524  0.020  1.524
 F7M  C15  C10  single    1.529  0.020  1.529
 F7M  C24  C25  aromatic  1.387  0.020  1.387
 F7M  C24  N23  aromatic  1.323  0.020  1.323
 F7M  C25  C26  aromatic  1.389  0.020  1.389
 F7M  C16  C10  single    1.535  0.020  1.535
 F7M  C10  C7   single    1.496  0.020  1.496
 F7M  N23  C22  aromatic  1.327  0.020  1.327
 F7M  C26  C28  single    1.430  0.020  1.430
 F7M  C26  C27  aromatic  1.390  0.020  1.390
 F7M  C22  C27  aromatic  1.386  0.020  1.386
 F7M  C22  C4   single    1.506  0.020  1.506
 F7M  C28  N29  triple    1.151  0.020  1.151
 F7M  C7   C6   aromatic  1.431  0.020  1.431
 F7M  C7   C11  aromatic  1.368  0.020  1.368
 F7M  C9   C6   aromatic  1.395  0.020  1.395
 F7M  C9   C14  aromatic  1.388  0.020  1.388
 F7M  C4   N18  single    1.342  0.020  1.342
 F7M  C4   O5   double    1.220  0.020  1.220
 F7M  N18  C14  single    1.405  0.020  1.405
 F7M  C6   C8   aromatic  1.411  0.020  1.411
 F7M  C14  C17  aromatic  1.410  0.020  1.410
 F7M  C11  N12  aromatic  1.369  0.020  1.369
 F7M  C8   N12  aromatic  1.364  0.020  1.364
 F7M  C8   C13  aromatic  1.391  0.020  1.391
 F7M  N12  C35  single    1.441  0.020  1.441
 F7M  C17  C13  aromatic  1.382  0.020  1.382
 F7M  C11  H1   single    0.930  0.020  1.080
 F7M  C10  H2   single    0.970  0.020  1.090
 F7M  C9   H3   single    0.930  0.020  1.080
 F7M  C1   H4   single    0.970  0.020  1.090
 F7M  C13  H5   single    0.930  0.020  1.080
 F7M  C15  H6   single    0.970  0.020  1.090
 F7M  C15  H7   single    0.970  0.020  1.090
 F7M  C16  H8   single    0.970  0.020  1.090
 F7M  C16  H9   single    0.970  0.020  1.090
 F7M  C17  H10  single    0.930  0.020  1.080
 F7M  N18  H11  single    0.860  0.020  1.020
 F7M  C19  H12  single    0.970  0.020  1.090
 F7M  C19  H13  single    0.970  0.020  1.090
 F7M  C20  H14  single    0.970  0.020  1.090
 F7M  C20  H15  single    0.970  0.020  1.090
 F7M  C24  H16  single    0.930  0.020  1.080
 F7M  C25  H17  single    0.930  0.020  1.080
 F7M  C27  H18  single    0.930  0.020  1.080
 F7M  C30  H19  single    0.970  0.020  1.090
 F7M  C30  H20  single    0.970  0.020  1.090
 F7M  C31  H21  single    0.970  0.020  1.090
 F7M  C31  H22  single    0.970  0.020  1.090
 F7M  C32  H23  single    0.970  0.020  1.090
 F7M  C32  H24  single    0.970  0.020  1.090
 F7M  C33  H25  single    0.970  0.020  1.090
 F7M  C33  H26  single    0.970  0.020  1.090
 F7M  C34  H27  single    0.970  0.020  1.090
 F7M  C34  H28  single    0.970  0.020  1.090
 F7M  C35  H29  single    0.970  0.020  1.090
 F7M  C35  H30  single    0.970  0.020  1.090
 F7M  C35  H31  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
 F7M  H1   C11  N12  119.68  3.000
 F7M  H1   C11  C7   129.42  3.000
 F7M  N12  C11  C7   110.90  3.000
 F7M  H2   C10  C16  106.98  3.000
 F7M  H2   C10  C15  106.98  3.000
 F7M  C16  C10  C15  109.98  3.000
 F7M  H2   C10  C7   107.57  3.000
 F7M  C16  C10  C7   111.86  3.000
 F7M  C15  C10  C7   113.14  3.000
 F7M  C8   C6   C9   119.23  3.000
 F7M  C8   C6   C7   107.19  3.000
 F7M  C9   C6   C7   133.58  3.000
 F7M  C6   C7   C10  126.30  3.000
 F7M  C6   C7   C11  105.62  3.000
 F7M  C10  C7   C11  128.05  3.000
 F7M  H3   C9   C14  119.98  3.000
 F7M  H3   C9   C6   120.53  3.000
 F7M  C14  C9   C6   119.49  3.000
 F7M  H4   C1   C34  108.34  3.000
 F7M  H4   C1   C30  107.02  3.000
 F7M  C34  C1   C30  110.00  3.000
 F7M  H4   C1   C2   109.66  3.000
 F7M  C30  C1   C2   111.64  3.000
 F7M  C34  C1   C2   110.07  3.000
 F7M  C22  C4   N18  113.22  3.000
 F7M  N18  C4   O5   126.45  3.000
 F7M  C22  C4   O5   120.34  3.000
 F7M  C13  C8   N12  130.59  3.000
 F7M  C13  C8   C6   121.52  3.000
 F7M  N12  C8   C6   107.89  3.000
 F7M  C35  N12  C8   125.41  3.000
 F7M  C35  N12  C11  126.19  3.000
 F7M  C8   N12  C11  108.40  3.000
 F7M  H5   C13  C17  119.79  3.000
 F7M  H5   C13  C8   121.64  3.000
 F7M  C17  C13  C8   118.57  3.000
 F7M  N18  C14  C17  123.04  3.000
 F7M  C17  C14  C9   120.49  3.000
 F7M  N18  C14  C9   116.46  3.000
 F7M  H7   C15  H6   107.21  3.000
 F7M  H7   C15  C19  108.85  3.000
 F7M  H6   C15  C19  109.43  3.000
 F7M  H7   C15  C10  110.51  3.000
 F7M  H6   C15  C10  110.11  3.000
 F7M  C19  C15  C10  110.67  3.000
 F7M  H9   C16  H8   106.90  3.000
 F7M  H9   C16  C20  109.32  3.000
 F7M  H8   C16  C20  109.40  3.000
 F7M  H9   C16  C10  109.96  3.000
 F7M  H8   C16  C10  109.56  3.000
 F7M  C20  C16  C10  111.58  3.000
 F7M  H10  C17  C14  120.40  3.000
 F7M  H10  C17  C13  118.90  3.000
 F7M  C14  C17  C13  120.71  3.000
 F7M  H11  N18  C14  115.85  3.000
 F7M  H11  N18  C4   114.38  3.000
 F7M  C14  N18  C4   129.67  3.000
 F7M  H13  C19  H12  106.47  3.000
 F7M  H13  C19  N21  111.41  3.000
 F7M  H12  C19  N21  107.99  3.000
 F7M  H13  C19  C15  110.69  3.000
 F7M  H12  C19  C15  109.49  3.000
 F7M  N21  C19  C15  110.65  3.000
 F7M  H15  C20  H14  107.37  3.000
 F7M  H15  C20  N21  108.44  3.000
 F7M  H14  C20  N21  109.64  3.000
 F7M  H15  C20  C16  109.86  3.000
 F7M  H14  C20  C16  110.98  3.000
 F7M  N21  C20  C16  110.47  3.000
 F7M  C20  N21  C19  112.32  3.000
 F7M  C20  N21  C2   120.76  3.000
 F7M  C19  N21  C2   126.00  3.000
 F7M  C27  C22  N23  122.97  3.000
 F7M  C27  C22  C4   119.10  3.000
 F7M  N23  C22  C4   117.93  3.000
 F7M  C24  N23  C22  119.20  3.000
 F7M  H16  C24  C25  120.20  3.000
 F7M  H16  C24  N23  117.01  3.000
 F7M  C25  C24  N23  122.79  3.000
 F7M  H17  C25  C26  121.59  3.000
 F7M  H17  C25  C24  120.70  3.000
 F7M  C26  C25  C24  117.72  3.000
 F7M  C28  C26  C27  119.96  3.000
 F7M  C27  C26  C25  119.85  3.000
 F7M  C28  C26  C25  120.20  3.000
 F7M  H18  C27  C26  121.35  3.000
 F7M  H18  C27  C22  121.18  3.000
 F7M  C26  C27  C22  117.47  3.000
 F7M  N29  C28  C26  180.00  3.000
 F7M  H20  C30  H19  106.78  3.000
 F7M  H20  C30  C31  109.54  3.000
 F7M  H19  C30  C31  109.99  3.000
 F7M  H20  C30  C1   109.65  3.000
 F7M  H19  C30  C1   110.21  3.000
 F7M  C31  C30  C1   110.60  3.000
 F7M  H22  C31  H21  106.42  3.000
 F7M  H22  C31  C32  110.29  3.000
 F7M  H21  C31  C32  109.32  3.000
 F7M  H22  C31  C30  109.77  3.000
 F7M  H21  C31  C30  109.38  3.000
 F7M  C32  C31  C30  111.51  3.000
 F7M  H24  C32  H23  106.54  3.000
 F7M  H24  C32  C33  109.26  3.000
 F7M  H23  C32  C33  110.25  3.000
 F7M  H24  C32  C31  109.34  3.000
 F7M  H23  C32  C31  110.33  3.000
 F7M  C33  C32  C31  111.01  3.000
 F7M  H26  C33  H25  106.50  3.000
 F7M  H26  C33  C34  109.77  3.000
 F7M  H25  C33  C34  109.20  3.000
 F7M  H26  C33  C32  110.41  3.000
 F7M  H25  C33  C32  109.39  3.000
 F7M  C34  C33  C32  111.44  3.000
 F7M  H28  C34  H27  106.53  3.000
 F7M  H28  C34  C33  109.93  3.000
 F7M  H27  C34  C33  109.60  3.000
 F7M  H28  C34  C1   110.92  3.000
 F7M  H27  C34  C1   108.63  3.000
 F7M  C33  C34  C1   111.11  3.000
 F7M  H31  C35  H30  108.49  3.000
 F7M  H31  C35  H29  108.35  3.000
 F7M  H30  C35  H29  108.61  3.000
 F7M  H31  C35  N12  109.17  3.000
 F7M  H30  C35  N12  111.12  3.000
 F7M  H29  C35  N12  111.02  3.000
 F7M  N21  C2   O3   121.56  3.000
 F7M  N21  C2   C1   118.07  3.000
 F7M  O3   C2   C1   120.33  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
 F7M  CONST_01  C9   C6   C7   C11   180.00   0.0  0
 F7M  CONST_02  C8   C6   C7   C11     0.00   0.0  0
 F7M  CONST_03  C6   C8   N12  C11     0.00   0.0  0
 F7M  CONST_04  C13  C8   N12  C11   180.00   0.0  0
 F7M  CONST_05  N12  C11  C7   C6      0.00   0.0  0
 F7M  CONST_06  C17  C14  C9   C6      0.00   0.0  0
 F7M  CONST_07  C17  C13  C8   C6      0.00   0.0  0
 F7M  CONST_08  C14  C9   C6   C7    180.00   0.0  0
 F7M  CONST_09  N12  C8   C6   C7      0.00   0.0  0
 F7M  CONST_10  C13  C8   C6   C7    180.00   0.0  0
 F7M  CONST_11  C8   N12  C11  C7      0.00   0.0  0
 F7M  CONST_12  N12  C8   C6   C9    180.00   0.0  0
 F7M  CONST_13  C13  C8   C6   C9      0.00   0.0  0
 F7M  CONST_14  C13  C17  C14  C9      0.00   0.0  0
 F7M  CONST_15  C14  C9   C6   C8      0.00   0.0  0
 F7M  CONST_16  C14  C17  C13  C8      0.00   0.0  0
 F7M  CONST_17  C17  C13  C8   N12   180.00   0.0  0
 F7M  CONST_18  C25  C24  N23  C22     0.00   0.0  0
 F7M  CONST_19  C25  C26  C27  C22     0.00   0.0  0
 F7M  CONST_20  C26  C25  C24  N23     0.00   0.0  0
 F7M  CONST_21  C26  C27  C22  N23     0.00   0.0  0
 F7M  CONST_22  C27  C26  C25  C24     0.00   0.0  0
 F7M  CONST_23  C27  C22  N23  C24     0.00   0.0  0
 F7M  CONST_24  C9   C6   C7   C10     0.00   0.0  0
 F7M  CONST_25  C8   C6   C7   C10   180.00   0.0  0
 F7M  CONST_26  N12  C11  C7   C10   180.00   0.0  0
 F7M  CONST_27  N18  C14  C9   C6    180.00   0.0  0
 F7M  CONST_28  C35  N12  C8   C6    180.00   0.0  0
 F7M  CONST_29  C35  N12  C11  C7    180.00   0.0  0
 F7M  CONST_30  C24  N23  C22  C4    180.00   0.0  0
 F7M  CONST_31  C26  C27  C22  C4    180.00   0.0  0
 F7M  CONST_32  C35  N12  C8   C13     0.00   0.0  0
 F7M  CONST_33  N18  C14  C17  C13   180.00   0.0  0
 F7M  CONST_34  C28  C26  C27  C22   180.00   0.0  0
 F7M  CONST_35  C28  C26  C25  C24   180.00   0.0  0
 F7M  CONST_36  C19  N21  C2   C1      0.00   0.0  0
 F7M  CONST_37  C20  N21  C2   C1    180.00   0.0  0
 F7M  CONST_38  H1   C11  C7   C10     0.00   0.0  0
 F7M  CONST_39  H5   C13  C8   C6    180.00   0.0  0
 F7M  CONST_40  H3   C9   C6   C7      0.00   0.0  0
 F7M  CONST_41  H10  C17  C14  C9    180.00   0.0  0
 F7M  CONST_42  H16  C24  N23  C22   180.00   0.0  0
 F7M  CONST_43  H17  C25  C24  N23   180.00   0.0  0
 F7M  CONST_44  H18  C27  C22  N23   180.00   0.0  0
 F7M  CONST_45  C19  N21  C2   O3    180.00   0.0  0
 F7M  CONST_46  C20  N21  C2   O3      0.00   0.0  0
 F7M  CONST_47  C22  C4   N18  C14   180.00   0.0  0
 F7M  CONST_48  C4   N18  C14  C9    180.00   0.0  0
 F7M  CONST_49  C17  C14  N18  C4      0.00   0.0  0
 F7M  CONST_50  H11  N18  C14  C9      0.00   0.0  0
 F7M  CONST_51  C14  N18  C4   O5      0.00   0.0  0
 F7M  Var_01    N21  C19  C15  C10   -56.89  30.0  1
 F7M  Var_02    N21  C20  C16  C10    54.92  30.0  1
 F7M  Var_03    C32  C33  C34  C1     55.80  30.0  1
 F7M  Var_04    C32  C31  C30  C1    -57.06  30.0  1
 F7M  Var_05    C20  N21  C19  C15    60.66  30.0  1
 F7M  Var_06    C19  N21  C20  C16   -59.38  30.0  1
 F7M  Var_07    C33  C32  C31  C30    55.30  30.0  1
 F7M  Var_08    C34  C33  C32  C31   -54.57  30.0  1
 F7M  Var_09    N23  C22  C4   O5   -179.68  30.0  2
 F7M  Var_10    H29  C35  N12  C11   123.01  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
 F7M  chir_01  C10  C15  C16  C7   negativ
 F7M  chir_02  C1   C34  C2   C30  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
 F7M  plan-1  C4   0.020
 F7M  plan-1  C22  0.020
 F7M  plan-1  N23  0.020
 F7M  plan-1  C24  0.020
 F7M  plan-1  C25  0.020
 F7M  plan-1  C26  0.020
 F7M  plan-1  C27  0.020
 F7M  plan-1  C28  0.020
 F7M  plan-1  N29  0.020
 F7M  plan-1  H16  0.020
 F7M  plan-1  H17  0.020
 F7M  plan-1  H18  0.020
 F7M  plan-2  C4   0.020
 F7M  plan-2  O5   0.020
 F7M  plan-2  C14  0.020
 F7M  plan-2  N18  0.020
 F7M  plan-2  C22  0.020
 F7M  plan-2  H11  0.020
 F7M  plan-3  C11  0.020
 F7M  plan-3  C10  0.020
 F7M  plan-3  C6   0.020
 F7M  plan-3  C7   0.020
 F7M  plan-3  C9   0.020
 F7M  plan-3  C8   0.020
 F7M  plan-3  N12  0.020
 F7M  plan-3  C13  0.020
 F7M  plan-3  C14  0.020
 F7M  plan-3  C17  0.020
 F7M  plan-3  N18  0.020
 F7M  plan-3  C35  0.020
 F7M  plan-3  H1   0.020
 F7M  plan-3  H3   0.020
 F7M  plan-3  H5   0.020
 F7M  plan-3  H10  0.020
 F7M  plan-4  C1   0.020
 F7M  plan-4  O3   0.020
 F7M  plan-4  C19  0.020
 F7M  plan-4  C20  0.020
 F7M  plan-4  N21  0.020
 F7M  plan-4  C2   0.020

