# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Tue Jun  9 00:45:40 2020
#   Inital geometry file: a 195 line input string
#   Ligand name: (1~{R},3~{S},5~{Z})-5-[2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(6~{R})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)(O)C#CC[C@H](CC#CC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2C(\CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C
#
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
 6VH  6VH  (1~{R},3~{S},5~{Z})-5-[2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(6~{R})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol  ligand  82  42  .  2022-07-23  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_6VH
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
 6VH  C1   C  CH1   0  -0.028   7.6773   2.0478  -0.8889
 6VH  F1   F  F     0  -0.289  -6.8792  -0.2692   0.2412
 6VH  O1   O  OH1   0  -0.664   6.7727   2.8117  -0.1123
 6VH  C2   C  CH2   0  -0.487   8.9581   1.8926  -0.0803
 6VH  F2   F  F     0  -0.292  -7.7659   1.5723   0.8990
 6VH  O2   O  OH1   0  -0.674  10.0005   0.9204   1.8109
 6VH  C3   C  CH1   0   0.072   8.7529   1.0316   1.1572
 6VH  F3   F  F     0  -0.289  -5.8127   1.0046   1.6075
 6VH  O3   O  OH1   0  -0.645  -6.9316   1.6627  -1.6744
 6VH  C4   C  CH2   0  -0.534   8.2027  -0.3381   0.7548
 6VH  F4   F  F     0  -0.292  -6.6908   3.8987  -0.0684
 6VH  O4   O  OH1   0  -0.663  -3.5854  -5.4499   1.4748
 6VH  C5   C  C     0   0.102   6.9423  -0.2079  -0.0577
 6VH  F5   F  F     0  -0.296  -5.0843   3.7188  -1.4827
 6VH  C6   C  C1    0  -0.302   5.8175  -0.8588   0.2861
 6VH  F6   F  F     0  -0.288  -4.7302   3.3083   0.5995
 6VH  C7   C  C1    0  -0.361   4.5275  -0.7692  -0.3698
 6VH  C8   C  C     0   0.155   3.4467  -1.5134  -0.0844
 6VH  C9   C  CH2   0  -0.505   3.3918  -2.6130   0.9402
 6VH  C10  C  C     0   0.066   7.0788   0.6973  -1.2138
 6VH  C11  C  CH2   0  -0.434   2.2074  -2.4462   1.8966
 6VH  C12  C  CH2   0  -0.416   0.8808  -2.2170   1.1730
 6VH  C13  C  CT    0  -0.070   0.9653  -1.0547   0.1797
 6VH  C14  C  CH1   0  -0.243   2.1372  -1.3571  -0.7898
 6VH  C15  C  CH2   0  -0.455   1.9704  -0.3394  -1.9052
 6VH  C16  C  CH2   0  -0.452   0.4424  -0.2198  -2.0555
 6VH  C17  C  CH1   0  -0.180  -0.1941  -0.9485  -0.8402
 6VH  C18  C  CH3   0  -0.678   1.1808   0.2717   0.9108
 6VH  C20  C  CH1   0  -0.269  -1.4954  -0.2709  -0.3995
 6VH  C21  C  CH2   0  -0.641  -2.4932  -0.2963  -1.5742
 6VH  C22  C  CSP   0   0.141  -3.7295   0.4051  -1.2785
 6VH  C23  C  CSP   0   0.072  -4.7395   0.9921  -0.9991
 6VH  C24  C  CT    0  -0.298  -5.9700   1.6988  -0.6700
 6VH  C25  C  CT    0   1.006  -5.6161   3.1813  -0.3850
 6VH  C26  C  CT    0   1.016  -6.6184   0.9972   0.5478
 6VH  C27  C  CH2   0  -0.617  -2.1419  -0.8764   0.8557
 6VH  C28  C  CSP   0   0.061  -2.4975  -2.2793   0.6924
 6VH  C29  C  CSP   0   0.100  -2.7675  -3.4393   0.5203
 6VH  C30  C  CT    0   0.011  -3.0711  -4.8629   0.2894
 6VH  C31  C  CH3   0  -0.661  -1.7772  -5.6045  -0.0352
 6VH  C32  C  CH3   0  -0.684  -4.0750  -4.9920  -0.8566
 6VH  C33  C  C2    0  -0.599   6.7439   0.3710  -2.4612
 6VH  H1   H  HCH1  0   0.224   7.9140   2.5643  -1.8289
 6VH  H2   H  HOH1  0   0.448   5.9331   2.8484  -0.5812
 6VH  H3   H  HCH2  0   0.237   9.7130   1.4256  -0.7206
 6VH  H4   H  HCH2  0   0.249   9.3381   2.8800   0.1975
 6VH  H5   H  HOH1  0   0.448   9.8665   0.4369   2.6322
 6VH  H6   H  HCH1  0   0.206   8.0199   1.5178   1.8146
 6VH  H7   H  HOH1  0   0.483  -6.5099   1.5530  -2.5345
 6VH  H8   H  HCH2  0   0.237   8.9702  -0.8463   0.1577
 6VH  H9   H  HCH2  0   0.244   8.0217  -0.9512   1.6419
 6VH  H10  H  HOH1  0   0.447  -4.4379  -5.0441   1.6672
 6VH  H12  H  H     0   0.231   5.8821  -1.4971   1.1622
 6VH  H14  H  H     0   0.233   4.4426  -0.0298  -1.1578
 6VH  H17  H  HCH2  0   0.232   3.2795  -3.5658   0.4081
 6VH  H18  H  HCH2  0   0.244   4.3155  -2.6909   1.5127
 6VH  H20  H  HCH2  0   0.234   2.1281  -3.3354   2.5265
 6VH  H21  H  HCH2  0   0.222   2.4078  -1.6135   2.5764
 6VH  H22  H  HCH2  0   0.222   0.5961  -3.1252   0.6305
 6VH  H23  H  HCH2  0   0.227   0.1022  -2.0549   1.9199
 6VH  H24  H  HCH1  0   0.233   1.9016  -2.3454  -1.2157
 6VH  H25  H  HCH2  0   0.224   2.4085   0.6225  -1.6291
 6VH  H26  H  HCH2  0   0.238   2.4594  -0.6549  -2.8281
 6VH  H27  H  HCH2  0   0.228   0.1385   0.8303  -2.0809
 6VH  H28  H  HCH2  0   0.239   0.1040  -0.6620  -2.9933
 6VH  H29  H  HCH1  0   0.232  -0.4394  -1.9757  -1.1400
 6VH  H30  H  HCH3  0   0.241   2.1259   0.2837   1.4545
 6VH  H31  H  HCH3  0   0.234   1.1929   1.1248   0.2310
 6VH  H32  H  HCH3  0   0.228   0.3888   0.4519   1.6413
 6VH  H33  H  HCH1  0   0.254  -1.2811   0.7774  -0.1678
 6VH  H34  H  HCH2  0   0.298  -2.0472   0.1589  -2.4607
 6VH  H35  H  HCH2  0   0.282  -2.7262  -1.3323  -1.8383
 6VH  H36  H  HCH2  0   0.273  -1.4673  -0.7637   1.7063
 6VH  H37  H  HCH2  0   0.274  -3.0366  -0.3023   1.1143
 6VH  H40  H  HCH3  0   0.233  -1.9818  -6.6624  -0.2096
 6VH  H41  H  HCH3  0   0.242  -1.3202  -5.1931  -0.9344
 6VH  H42  H  HCH3  0   0.245  -1.0603  -5.5166   0.7813
 6VH  H43  H  HCH3  0   0.241  -5.0137  -4.4949  -0.6052
 6VH  H44  H  HCH3  0   0.244  -3.6883  -4.5368  -1.7681
 6VH  H45  H  HCH3  0   0.246  -4.2820  -6.0444  -1.0579
 6VH  H46  H  H     0   0.255   6.3362  -0.6007  -2.7092
 6VH  H47  H  H     0   0.253   6.8822   1.0669  -3.2806

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
 6VH  F1   C26  single  1.329  0.020  1.329
 6VH  F4   C25  single  1.330  0.020  1.330
 6VH  F3   C26  single  1.331  0.020  1.331
 6VH  F6   C25  single  1.331  0.020  1.331
 6VH  C26  F2   single  1.331  0.020  1.331
 6VH  C26  C24  single  1.548  0.020  1.548
 6VH  C25  C24  single  1.551  0.020  1.551
 6VH  C25  F5   single  1.333  0.020  1.333
 6VH  C24  O3   single  1.391  0.020  1.391
 6VH  C24  C23  single  1.457  0.020  1.457
 6VH  C23  C22  triple  1.201  0.020  1.201
 6VH  C22  C21  single  1.452  0.020  1.452
 6VH  C18  C13  single  1.530  0.020  1.530
 6VH  C21  C20  single  1.541  0.020  1.541
 6VH  C11  C12  single  1.528  0.020  1.528
 6VH  C11  C9   single  1.532  0.020  1.532
 6VH  C12  C13  single  1.531  0.020  1.531
 6VH  C33  C10  double  1.332  0.020  1.332
 6VH  C20  C27  single  1.536  0.020  1.536
 6VH  C20  C17  single  1.532  0.020  1.532
 6VH  C27  C28  single  1.456  0.020  1.456
 6VH  C13  C17  single  1.548  0.020  1.548
 6VH  C13  C14  single  1.551  0.020  1.551
 6VH  C4   C3   single  1.530  0.020  1.530
 6VH  C4   C5   single  1.505  0.020  1.505
 6VH  C2   C3   single  1.521  0.020  1.521
 6VH  C2   C1   single  1.523  0.020  1.523
 6VH  O1   C1   single  1.416  0.020  1.416
 6VH  C17  C16  single  1.553  0.020  1.553
 6VH  C10  C5   single  1.475  0.020  1.475
 6VH  C10  C1   single  1.513  0.020  1.513
 6VH  C6   C5   double  1.344  0.020  1.344
 6VH  C6   C7   single  1.450  0.020  1.450
 6VH  C3   O2   single  1.413  0.020  1.413
 6VH  C9   C8   single  1.504  0.020  1.504
 6VH  C28  C29  triple  1.203  0.020  1.203
 6VH  C7   C8   double  1.343  0.020  1.343
 6VH  C29  C30  single  1.474  0.020  1.474
 6VH  C8   C14  single  1.496  0.020  1.496
 6VH  C14  C15  single  1.519  0.020  1.519
 6VH  C16  C15  single  1.540  0.020  1.540
 6VH  O4   C30  single  1.419  0.020  1.419
 6VH  C31  C30  single  1.526  0.020  1.526
 6VH  C30  C32  single  1.529  0.020  1.529
 6VH  C1   H1   single  0.970  0.020  1.090
 6VH  O1   H2   single  0.850  0.020  0.980
 6VH  C2   H3   single  0.970  0.020  1.090
 6VH  C2   H4   single  0.970  0.020  1.090
 6VH  O2   H5   single  0.850  0.020  0.980
 6VH  C3   H6   single  0.970  0.020  1.090
 6VH  O3   H7   single  0.850  0.020  0.980
 6VH  C4   H8   single  0.970  0.020  1.090
 6VH  C4   H9   single  0.970  0.020  1.090
 6VH  O4   H10  single  0.850  0.020  0.980
 6VH  C6   H12  single  0.930  0.020  1.080
 6VH  C7   H14  single  0.930  0.020  1.080
 6VH  C9   H17  single  0.970  0.020  1.090
 6VH  C9   H18  single  0.970  0.020  1.090
 6VH  C11  H20  single  0.970  0.020  1.090
 6VH  C11  H21  single  0.970  0.020  1.090
 6VH  C12  H22  single  0.970  0.020  1.090
 6VH  C12  H23  single  0.970  0.020  1.090
 6VH  C14  H24  single  0.970  0.020  1.090
 6VH  C15  H25  single  0.970  0.020  1.090
 6VH  C15  H26  single  0.970  0.020  1.090
 6VH  C16  H27  single  0.970  0.020  1.090
 6VH  C16  H28  single  0.970  0.020  1.090
 6VH  C17  H29  single  0.970  0.020  1.090
 6VH  C18  H30  single  0.970  0.020  1.090
 6VH  C18  H31  single  0.970  0.020  1.090
 6VH  C18  H32  single  0.970  0.020  1.090
 6VH  C20  H33  single  0.970  0.020  1.090
 6VH  C21  H34  single  0.970  0.020  1.090
 6VH  C21  H35  single  0.970  0.020  1.090
 6VH  C27  H36  single  0.970  0.020  1.090
 6VH  C27  H37  single  0.970  0.020  1.090
 6VH  C31  H40  single  0.970  0.020  1.090
 6VH  C31  H41  single  0.970  0.020  1.090
 6VH  C31  H42  single  0.970  0.020  1.090
 6VH  C32  H43  single  0.970  0.020  1.090
 6VH  C32  H44  single  0.970  0.020  1.090
 6VH  C32  H45  single  0.970  0.020  1.090
 6VH  C33  H46  single  0.930  0.020  1.080
 6VH  C33  H47  single  0.930  0.020  1.080

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
 6VH  H1   C1   C10  108.74  3.000
 6VH  H1   C1   C2   108.73  3.000
 6VH  C10  C1   C2   110.85  3.000
 6VH  H1   C1   O1   110.69  3.000
 6VH  C10  C1   O1   110.29  3.000
 6VH  C2   C1   O1   107.53  3.000
 6VH  H2   O1   C1   108.10  3.000
 6VH  H4   C2   H3   107.11  3.000
 6VH  H4   C2   C3   110.55  3.000
 6VH  H3   C2   C3   109.12  3.000
 6VH  H4   C2   C1   109.57  3.000
 6VH  H3   C2   C1   108.24  3.000
 6VH  C3   C2   C1   112.09  3.000
 6VH  H5   O2   C3   108.14  3.000
 6VH  H6   C3   C4   108.29  3.000
 6VH  H6   C3   O2   110.32  3.000
 6VH  C4   C3   O2   111.64  3.000
 6VH  H6   C3   C2   109.05  3.000
 6VH  O2   C3   C2   107.56  3.000
 6VH  C4   C3   C2   109.95  3.000
 6VH  H7   O3   C24  110.17  3.000
 6VH  H9   C4   H8   107.32  3.000
 6VH  H9   C4   C5   110.36  3.000
 6VH  H8   C4   C5   109.40  3.000
 6VH  H9   C4   C3   110.37  3.000
 6VH  H8   C4   C3   107.83  3.000
 6VH  C5   C4   C3   111.45  3.000
 6VH  H10  O4   C30  108.26  3.000
 6VH  C10  C5   C6   125.11  3.000
 6VH  C6   C5   C4   121.38  3.000
 6VH  C10  C5   C4   113.51  3.000
 6VH  H12  C6   C7   117.02  3.000
 6VH  H12  C6   C5   116.18  3.000
 6VH  C7   C6   C5   126.78  3.000
 6VH  H14  C7   C8   118.00  3.000
 6VH  H14  C7   C6   116.16  3.000
 6VH  C8   C7   C6   125.85  3.000
 6VH  C14  C8   C9   111.46  3.000
 6VH  C14  C8   C7   123.13  3.000
 6VH  C9   C8   C7   125.40  3.000
 6VH  H18  C9   H17  106.23  3.000
 6VH  H18  C9   C11  109.59  3.000
 6VH  H17  C9   C11  108.56  3.000
 6VH  H18  C9   C8   112.29  3.000
 6VH  H17  C9   C8   107.96  3.000
 6VH  C11  C9   C8   111.96  3.000
 6VH  C33  C10  C5   124.10  3.000
 6VH  C5   C10  C1   114.59  3.000
 6VH  C33  C10  C1   121.29  3.000
 6VH  H21  C11  H20  105.95  3.000
 6VH  H21  C11  C12  109.83  3.000
 6VH  H20  C11  C12  109.38  3.000
 6VH  H21  C11  C9   109.23  3.000
 6VH  H20  C11  C9   109.12  3.000
 6VH  C12  C11  C9   113.07  3.000
 6VH  H23  C12  H22  106.07  3.000
 6VH  H23  C12  C13  111.76  3.000
 6VH  H22  C12  C13  108.81  3.000
 6VH  H23  C12  C11  108.51  3.000
 6VH  H22  C12  C11  109.61  3.000
 6VH  C13  C12  C11  111.90  3.000
 6VH  C18  C13  C17  111.16  3.000
 6VH  C17  C13  C14   99.64  3.000
 6VH  C18  C13  C14  111.18  3.000
 6VH  C14  C13  C12  107.42  3.000
 6VH  C17  C13  C12  115.99  3.000
 6VH  C18  C13  C12  110.85  3.000
 6VH  H24  C14  C15  107.08  3.000
 6VH  H24  C14  C13  104.78  3.000
 6VH  C15  C14  C13  104.21  3.000
 6VH  H24  C14  C8   106.01  3.000
 6VH  C15  C14  C8   120.83  3.000
 6VH  C13  C14  C8   112.78  3.000
 6VH  H26  C15  H25  106.78  3.000
 6VH  H26  C15  C16  112.62  3.000
 6VH  H25  C15  C16  110.74  3.000
 6VH  H26  C15  C14  112.22  3.000
 6VH  H25  C15  C14  111.12  3.000
 6VH  C16  C15  C14  103.45  3.000
 6VH  H28  C16  H27  106.45  3.000
 6VH  H28  C16  C17  110.82  3.000
 6VH  H27  C16  C17  110.78  3.000
 6VH  H28  C16  C15  111.12  3.000
 6VH  H27  C16  C15  110.64  3.000
 6VH  C17  C16  C15  107.08  3.000
 6VH  H29  C17  C20  107.62  3.000
 6VH  H29  C17  C16  108.47  3.000
 6VH  C20  C17  C16  111.45  3.000
 6VH  H29  C17  C13  106.44  3.000
 6VH  C16  C17  C13  103.93  3.000
 6VH  C20  C17  C13  118.50  3.000
 6VH  H32  C18  H31  107.20  3.000
 6VH  H32  C18  H30  107.05  3.000
 6VH  H31  C18  H30  107.01  3.000
 6VH  H32  C18  C13  111.13  3.000
 6VH  H31  C18  C13  112.44  3.000
 6VH  H30  C18  C13  111.71  3.000
 6VH  H33  C20  C27  106.67  3.000
 6VH  H33  C20  C21  107.68  3.000
 6VH  C27  C20  C21  110.11  3.000
 6VH  H33  C20  C17  108.55  3.000
 6VH  C27  C20  C17  114.72  3.000
 6VH  C21  C20  C17  108.87  3.000
 6VH  H35  C21  H34  106.60  3.000
 6VH  H35  C21  C22  108.98  3.000
 6VH  H34  C21  C22  108.17  3.000
 6VH  H35  C21  C20  109.72  3.000
 6VH  H34  C21  C20  110.34  3.000
 6VH  C22  C21  C20  112.84  3.000
 6VH  C23  C22  C21  180.00  3.000
 6VH  C24  C23  C22  180.00  3.000
 6VH  C26  C24  C25  112.60  3.000
 6VH  C25  C24  C23  108.22  3.000
 6VH  C26  C24  C23  108.17  3.000
 6VH  C23  C24  O3   114.10  3.000
 6VH  C25  C24  O3   108.38  3.000
 6VH  C26  C24  O3   105.47  3.000
 6VH  C24  C25  F6   112.29  3.000
 6VH  C24  C25  F5   108.98  3.000
 6VH  F6   C25  F5   107.77  3.000
 6VH  F5   C25  F4   107.51  3.000
 6VH  C24  C25  F4   112.02  3.000
 6VH  F6   C25  F4   108.08  3.000
 6VH  C24  C26  F3   111.73  3.000
 6VH  C24  C26  F2   111.90  3.000
 6VH  F3   C26  F2   108.02  3.000
 6VH  C24  C26  F1   109.43  3.000
 6VH  F2   C26  F1   107.67  3.000
 6VH  F3   C26  F1   107.92  3.000
 6VH  H37  C27  H36  105.49  3.000
 6VH  H37  C27  C28  109.41  3.000
 6VH  H36  C27  C28  109.74  3.000
 6VH  H37  C27  C20  109.29  3.000
 6VH  H36  C27  C20  109.63  3.000
 6VH  C28  C27  C20  113.00  3.000
 6VH  C29  C28  C27  180.00  3.000
 6VH  C30  C29  C28  180.00  3.000
 6VH  C32  C30  C31  110.87  3.000
 6VH  C32  C30  C29  109.52  3.000
 6VH  C31  C30  C29  109.15  3.000
 6VH  C32  C30  O4   110.68  3.000
 6VH  C31  C30  O4   106.50  3.000
 6VH  C29  C30  O4   110.07  3.000
 6VH  H42  C31  H41  108.17  3.000
 6VH  H42  C31  H40  108.73  3.000
 6VH  H41  C31  H40  108.22  3.000
 6VH  H42  C31  C30  111.04  3.000
 6VH  H41  C31  C30  110.35  3.000
 6VH  H40  C31  C30  110.24  3.000
 6VH  H45  C32  H44  108.42  3.000
 6VH  H45  C32  H43  108.58  3.000
 6VH  H44  C32  H43  107.92  3.000
 6VH  H45  C32  C30  110.13  3.000
 6VH  H44  C32  C30  111.01  3.000
 6VH  H43  C32  C30  110.71  3.000
 6VH  H47  C33  H46  116.82  3.000
 6VH  H47  C33  C10  121.23  3.000
 6VH  H46  C33  C10  121.94  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
 6VH  Var_01  C4   C5   C10  C1    -49.99  30.0  1
 6VH  Var_02  C10  C5   C4   C3     52.26  30.0  1
 6VH  Var_03  C12  C11  C9   C8     50.12  30.0  1
 6VH  Var_04  C13  C12  C11  C9    -53.20  30.0  1
 6VH  Var_05  C14  C8   C9   C11   -52.05  30.0  1
 6VH  Var_06  C17  C16  C15  C14    11.17  30.0  1
 6VH  Var_07  C7   C6   C5   C4    176.83  30.0  2
 6VH  Var_08  C8   C7   C6   C5    173.84  30.0  2
 6VH  Var_09  C9   C8   C7   C6     -2.26  30.0  2
 6VH  Var_10  H46  C33  C10  C1    178.56  30.0  2
 6VH  Var_11  C25  C24  C26  F1   -179.21  30.0  3
 6VH  Var_12  F4   C25  C24  O3     56.08  30.0  3
 6VH  Var_13  C31  C30  C29  C28    27.02  30.0  3
 6VH  Var_14  H40  C31  C30  O4     61.19  30.0  3
 6VH  Var_15  H43  C32  C30  O4     59.77  30.0  3
 6VH  Var_16  H34  C21  C22  C23  -124.66  30.0  3
 6VH  Var_17  H36  C27  C28  C29  -110.41  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
 6VH  chir_01  C1   C2   O1   C10  positiv
 6VH  chir_02  C3   O2   C2   C4   negativ
 6VH  chir_03  C13  C12  C17  C14  positiv
 6VH  chir_04  C14  C15  C8   C13  negativ
 6VH  chir_05  C17  C16  C13  C20  negativ
 6VH  chir_06  C20  C21  C27  C17  negativ

