# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Aug  1 16:39:46 2021
#   Inital geometry file: a 159 line input string
#   Ligand name: (3beta,5beta,14beta,17alpha)-cholestan-3-ol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
#
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
 QNJ  QNJ  (3beta,5beta,14beta,17alpha)-cholestan-3-ol  ligand  76  28  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_QNJ
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
 QNJ  C1   C  CH2   0  -0.439  204.3778  175.6886  246.4416
 QNJ  C2   C  CH2   0  -0.460  205.0140  175.1553  245.1638
 QNJ  C3   C  CH1   0   0.086  206.5247  175.1712  245.2959
 QNJ  C4   C  CH2   0  -0.483  206.9442  174.3356  246.4971
 QNJ  C5   C  CH1   0  -0.226  206.2965  174.7714  247.8155
 QNJ  C6   C  CH2   0  -0.438  206.9038  176.0383  248.4067
 QNJ  C7   C  CH2   0  -0.413  206.5190  176.1506  249.8839
 QNJ  C8   C  CH1   0  -0.226  205.1236  175.5696  250.1821
 QNJ  C9   C  CH1   0  -0.186  204.2177  175.7166  248.9470
 QNJ  C10  C  CT    0  -0.021  204.7545  174.9110  247.7166
 QNJ  C11  C  CH2   0  -0.441  202.7419  175.4339  249.2519
 QNJ  C12  C  CH2   0  -0.407  202.2104  176.1473  250.4950
 QNJ  C13  C  CT    0  -0.051  203.0694  175.8370  251.7217
 QNJ  C14  C  CH1   0  -0.188  204.4988  176.2799  251.3725
 QNJ  C15  C  CH2   0  -0.439  205.2379  176.2447  252.7047
 QNJ  C16  C  CH2   0  -0.450  204.1671  176.6796  253.7253
 QNJ  C17  C  CH1   0  -0.164  202.8071  176.7069  252.9760
 QNJ  C18  C  CH3   0  -0.691  203.0049  174.3504  252.0848
 QNJ  C19  C  CH3   0  -0.690  204.1512  173.5036  247.6535
 QNJ  C20  C  CH1   0  -0.231  201.6260  176.3479  253.8883
 QNJ  C21  C  CH3   0  -0.671  200.2937  176.2991  253.1420
 QNJ  C22  C  CH2   0  -0.409  201.5345  177.3331  255.0638
 QNJ  C23  C  CH2   0  -0.429  200.6439  176.8634  256.2098
 QNJ  C24  C  CH2   0  -0.392  200.5688  177.8762  257.3465
 QNJ  C25  C  CH1   0  -0.231  199.8392  177.3840  258.5988
 QNJ  C26  C  CH3   0  -0.651  199.9027  178.4408  259.6973
 QNJ  C27  C  CH3   0  -0.659  198.3891  177.0063  258.3116
 QNJ  O1   O  OH1   0  -0.682  207.0857  174.6788  244.0924
 QNJ  H1   H  HCH2  0   0.219  204.6749  176.7362  246.5591
 QNJ  H2   H  HCH2  0   0.232  203.2895  175.6977  246.3338
 QNJ  H3   H  HCH2  0   0.231  204.7019  175.7709  244.3152
 QNJ  H4   H  HCH2  0   0.217  204.6735  174.1356  244.9548
 QNJ  H5   H  HCH1  0   0.184  206.8421  176.2141  245.4543
 QNJ  H6   H  HCH2  0   0.222  206.6927  173.2908  246.2875
 QNJ  H7   H  HCH2  0   0.227  208.0335  174.3694  246.6149
 QNJ  H8   H  HCH1  0   0.223  206.5068  173.9679  248.5329
 QNJ  H9   H  HCH2  0   0.224  207.9920  176.0272  248.3005
 QNJ  H10  H  HCH2  0   0.216  206.5584  176.9218  247.8618
 QNJ  H11  H  HCH2  0   0.220  207.2617  175.6357  250.4993
 QNJ  H12  H  HCH2  0   0.212  206.5506  177.2012  250.1902
 QNJ  H13  H  HCH1  0   0.209  205.2354  174.5047  250.4223
 QNJ  H14  H  HCH1  0   0.201  204.2741  176.7818  248.6786
 QNJ  H15  H  HCH2  0   0.226  202.1333  175.7211  248.3889
 QNJ  H16  H  HCH2  0   0.222  202.5798  174.3628  249.3815
 QNJ  H17  H  HCH2  0   0.204  202.2118  177.2320  250.3349
 QNJ  H18  H  HCH2  0   0.223  201.1673  175.8614  250.6416
 QNJ  H19  H  HCH1  0   0.202  204.4161  177.3402  251.0833
 QNJ  H20  H  HCH2  0   0.214  205.6029  175.2364  252.9193
 QNJ  H21  H  HCH2  0   0.227  206.1096  176.9015  252.7149
 QNJ  H22  H  HCH2  0   0.218  204.1244  175.9870  254.5707
 QNJ  H23  H  HCH2  0   0.228  204.3984  177.6585  254.1479
 QNJ  H24  H  HCH1  0   0.201  202.6355  177.7309  252.6135
 QNJ  H25  H  HCH3  0   0.231  203.5858  174.1184  252.9794
 QNJ  H26  H  HCH3  0   0.228  201.9778  174.0349  252.2792
 QNJ  H27  H  HCH3  0   0.232  203.3883  173.7096  251.2908
 QNJ  H28  H  HCH3  0   0.225  204.2523  172.9772  248.6059
 QNJ  H29  H  HCH3  0   0.227  203.0909  173.5243  247.3977
 QNJ  H30  H  HCH3  0   0.234  204.6425  172.8886  246.8984
 QNJ  H31  H  HCH1  0   0.203  201.8206  175.3534  254.3111
 QNJ  H32  H  HCH3  0   0.230  199.4543  176.1893  253.8297
 QNJ  H33  H  HCH3  0   0.212  200.1323  177.2181  252.5730
 QNJ  H34  H  HCH3  0   0.227  200.2383  175.4639  252.4454
 QNJ  H35  H  HCH2  0   0.228  202.5319  177.5203  255.4718
 QNJ  H36  H  HCH2  0   0.202  201.1779  178.3013  254.6900
 QNJ  H37  H  HCH2  0   0.216  199.6369  176.6487  255.8435
 QNJ  H38  H  HCH2  0   0.204  201.0337  175.9138  256.5959
 QNJ  H39  H  HCH2  0   0.210  201.5871  178.1652  257.6296
 QNJ  H40  H  HCH2  0   0.202  200.0828  178.7926  256.9886
 QNJ  H41  H  HCH1  0   0.208  200.3600  176.4871  258.9567
 QNJ  H42  H  HCH3  0   0.222  199.4171  178.0971  260.6123
 QNJ  H43  H  HCH3  0   0.222  200.9334  178.6990  259.9469
 QNJ  H44  H  HCH3  0   0.211  199.3991  179.3580  259.3811
 QNJ  H45  H  HCH3  0   0.224  197.8794  176.6830  259.2212
 QNJ  H46  H  HCH3  0   0.210  197.8371  177.8610  257.9110
 QNJ  H47  H  HCH3  0   0.228  198.3081  176.1930  257.5898
 QNJ  H48  H  HOH1  0   0.443  208.0435  174.6861  244.1850

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
 QNJ  O1   C3   single  1.416  0.020  1.416
 QNJ  C3   C2   single  1.517  0.020  1.517
 QNJ  C3   C4   single  1.522  0.020  1.522
 QNJ  C2   C1   single  1.524  0.020  1.524
 QNJ  C4   C5   single  1.532  0.020  1.532
 QNJ  C1   C10  single  1.540  0.020  1.540
 QNJ  C5   C10  single  1.551  0.020  1.551
 QNJ  C5   C6   single  1.524  0.020  1.524
 QNJ  C19  C10  single  1.533  0.020  1.533
 QNJ  C10  C9   single  1.566  0.020  1.566
 QNJ  C6   C7   single  1.531  0.020  1.531
 QNJ  C9   C11  single  1.533  0.020  1.533
 QNJ  C9   C8   single  1.539  0.020  1.539
 QNJ  C11  C12  single  1.529  0.020  1.529
 QNJ  C7   C8   single  1.541  0.020  1.541
 QNJ  C8   C14  single  1.521  0.020  1.521
 QNJ  C12  C13  single  1.529  0.020  1.529
 QNJ  C14  C13  single  1.537  0.020  1.537
 QNJ  C14  C15  single  1.524  0.020  1.524
 QNJ  C13  C18  single  1.532  0.020  1.532
 QNJ  C13  C17  single  1.549  0.020  1.549
 QNJ  C15  C16  single  1.542  0.020  1.542
 QNJ  C17  C20  single  1.535  0.020  1.535
 QNJ  C17  C16  single  1.553  0.020  1.553
 QNJ  C21  C20  single  1.528  0.020  1.528
 QNJ  C20  C22  single  1.537  0.020  1.537
 QNJ  C22  C23  single  1.525  0.020  1.525
 QNJ  C23  C24  single  1.524  0.020  1.524
 QNJ  C24  C25  single  1.531  0.020  1.531
 QNJ  C27  C25  single  1.526  0.020  1.526
 QNJ  C25  C26  single  1.526  0.020  1.526
 QNJ  C1   H1   single  0.970  0.020  1.090
 QNJ  C1   H2   single  0.970  0.020  1.090
 QNJ  C2   H3   single  0.970  0.020  1.090
 QNJ  C2   H4   single  0.970  0.020  1.090
 QNJ  C3   H5   single  0.970  0.020  1.090
 QNJ  C4   H6   single  0.970  0.020  1.090
 QNJ  C4   H7   single  0.970  0.020  1.090
 QNJ  C5   H8   single  0.970  0.020  1.090
 QNJ  C6   H9   single  0.970  0.020  1.090
 QNJ  C6   H10  single  0.970  0.020  1.090
 QNJ  C7   H11  single  0.970  0.020  1.090
 QNJ  C7   H12  single  0.970  0.020  1.090
 QNJ  C8   H13  single  0.970  0.020  1.090
 QNJ  C9   H14  single  0.970  0.020  1.090
 QNJ  C11  H15  single  0.970  0.020  1.090
 QNJ  C11  H16  single  0.970  0.020  1.090
 QNJ  C12  H17  single  0.970  0.020  1.090
 QNJ  C12  H18  single  0.970  0.020  1.090
 QNJ  C14  H19  single  0.970  0.020  1.090
 QNJ  C15  H20  single  0.970  0.020  1.090
 QNJ  C15  H21  single  0.970  0.020  1.090
 QNJ  C16  H22  single  0.970  0.020  1.090
 QNJ  C16  H23  single  0.970  0.020  1.090
 QNJ  C17  H24  single  0.970  0.020  1.090
 QNJ  C18  H25  single  0.970  0.020  1.090
 QNJ  C18  H26  single  0.970  0.020  1.090
 QNJ  C18  H27  single  0.970  0.020  1.090
 QNJ  C19  H28  single  0.970  0.020  1.090
 QNJ  C19  H29  single  0.970  0.020  1.090
 QNJ  C19  H30  single  0.970  0.020  1.090
 QNJ  C20  H31  single  0.970  0.020  1.090
 QNJ  C21  H32  single  0.970  0.020  1.090
 QNJ  C21  H33  single  0.970  0.020  1.090
 QNJ  C21  H34  single  0.970  0.020  1.090
 QNJ  C22  H35  single  0.970  0.020  1.090
 QNJ  C22  H36  single  0.970  0.020  1.090
 QNJ  C23  H37  single  0.970  0.020  1.090
 QNJ  C23  H38  single  0.970  0.020  1.090
 QNJ  C24  H39  single  0.970  0.020  1.090
 QNJ  C24  H40  single  0.970  0.020  1.090
 QNJ  C25  H41  single  0.970  0.020  1.090
 QNJ  C26  H42  single  0.970  0.020  1.090
 QNJ  C26  H43  single  0.970  0.020  1.090
 QNJ  C26  H44  single  0.970  0.020  1.090
 QNJ  C27  H45  single  0.970  0.020  1.090
 QNJ  C27  H46  single  0.970  0.020  1.090
 QNJ  C27  H47  single  0.970  0.020  1.090
 QNJ  O1   H48  single  0.850  0.020  0.980

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
 QNJ  H2   C1   H1   105.82  3.000
 QNJ  H2   C1   C10  109.22  3.000
 QNJ  H1   C1   C10  109.13  3.000
 QNJ  H2   C1   C2   109.62  3.000
 QNJ  H1   C1   C2   108.15  3.000
 QNJ  C10  C1   C2   114.54  3.000
 QNJ  H4   C2   H3   106.70  3.000
 QNJ  H4   C2   C3   109.64  3.000
 QNJ  H3   C2   C3   110.23  3.000
 QNJ  H4   C2   C1   110.86  3.000
 QNJ  H3   C2   C1   109.54  3.000
 QNJ  C3   C2   C1   109.83  3.000
 QNJ  H5   C3   O1   109.71  3.000
 QNJ  H5   C3   C4   109.07  3.000
 QNJ  O1   C3   C4   111.75  3.000
 QNJ  H5   C3   C2   108.03  3.000
 QNJ  C4   C3   C2   109.72  3.000
 QNJ  O1   C3   C2   108.48  3.000
 QNJ  H7   C4   H6   106.16  3.000
 QNJ  H7   C4   C5   108.59  3.000
 QNJ  H6   C4   C5   109.82  3.000
 QNJ  H7   C4   C3   109.98  3.000
 QNJ  H6   C4   C3   108.02  3.000
 QNJ  C5   C4   C3   113.98  3.000
 QNJ  H8   C5   C10  107.34  3.000
 QNJ  H8   C5   C6   106.18  3.000
 QNJ  C10  C5   C6   110.24  3.000
 QNJ  H8   C5   C4   105.85  3.000
 QNJ  C6   C5   C4   113.68  3.000
 QNJ  C10  C5   C4   113.01  3.000
 QNJ  H10  C6   H9   105.91  3.000
 QNJ  H10  C6   C7   110.00  3.000
 QNJ  H9   C6   C7   110.16  3.000
 QNJ  H10  C6   C5   110.62  3.000
 QNJ  H9   C6   C5   110.52  3.000
 QNJ  C7   C6   C5   109.58  3.000
 QNJ  H12  C7   H11  105.96  3.000
 QNJ  H12  C7   C8   109.50  3.000
 QNJ  H11  C7   C8   109.19  3.000
 QNJ  H12  C7   C6   109.46  3.000
 QNJ  H11  C7   C6   109.75  3.000
 QNJ  C8   C7   C6   112.75  3.000
 QNJ  H13  C8   C14  108.89  3.000
 QNJ  H13  C8   C9   109.17  3.000
 QNJ  C14  C8   C9   109.99  3.000
 QNJ  H13  C8   C7   108.42  3.000
 QNJ  C14  C8   C7   110.34  3.000
 QNJ  C9   C8   C7   109.99  3.000
 QNJ  H14  C9   C11  106.05  3.000
 QNJ  H14  C9   C10  106.80  3.000
 QNJ  C11  C9   C10  113.04  3.000
 QNJ  H14  C9   C8   104.96  3.000
 QNJ  C11  C9   C8   112.92  3.000
 QNJ  C10  C9   C8   112.32  3.000
 QNJ  C19  C10  C9   111.71  3.000
 QNJ  C9   C10  C5   109.69  3.000
 QNJ  C19  C10  C5   108.14  3.000
 QNJ  C9   C10  C1   107.87  3.000
 QNJ  C19  C10  C1   109.47  3.000
 QNJ  C5   C10  C1   109.95  3.000
 QNJ  H16  C11  H15  105.59  3.000
 QNJ  H16  C11  C12  108.05  3.000
 QNJ  H15  C11  C12  108.99  3.000
 QNJ  H16  C11  C9   110.34  3.000
 QNJ  H15  C11  C9   109.28  3.000
 QNJ  C12  C11  C9   114.22  3.000
 QNJ  H18  C12  H17  106.25  3.000
 QNJ  H18  C12  C13  112.08  3.000
 QNJ  H17  C12  C13  108.49  3.000
 QNJ  H18  C12  C11  108.62  3.000
 QNJ  H17  C12  C11  110.03  3.000
 QNJ  C13  C12  C11  111.24  3.000
 QNJ  C18  C13  C17  110.25  3.000
 QNJ  C17  C13  C14  100.35  3.000
 QNJ  C18  C13  C14  111.89  3.000
 QNJ  C17  C13  C12  116.13  3.000
 QNJ  C18  C13  C12  111.31  3.000
 QNJ  C14  C13  C12  106.36  3.000
 QNJ  H19  C14  C15  106.74  3.000
 QNJ  H19  C14  C13  105.50  3.000
 QNJ  C15  C14  C13  104.23  3.000
 QNJ  H19  C14  C8   105.95  3.000
 QNJ  C15  C14  C8   118.31  3.000
 QNJ  C13  C14  C8   115.18  3.000
 QNJ  H21  C15  H20  106.64  3.000
 QNJ  H21  C15  C16  112.25  3.000
 QNJ  H20  C15  C16  111.22  3.000
 QNJ  H21  C15  C14  112.43  3.000
 QNJ  H20  C15  C14  110.78  3.000
 QNJ  C16  C15  C14  103.61  3.000
 QNJ  H23  C16  H22  106.09  3.000
 QNJ  H23  C16  C17  110.90  3.000
 QNJ  H22  C16  C17  110.48  3.000
 QNJ  H23  C16  C15  111.24  3.000
 QNJ  H22  C16  C15  111.11  3.000
 QNJ  C17  C16  C15  107.08  3.000
 QNJ  H24  C17  C20  107.08  3.000
 QNJ  H24  C17  C16  108.18  3.000
 QNJ  C20  C17  C16  112.52  3.000
 QNJ  H24  C17  C13  106.41  3.000
 QNJ  C16  C17  C13  103.44  3.000
 QNJ  C20  C17  C13  118.70  3.000
 QNJ  H27  C18  H26  106.90  3.000
 QNJ  H27  C18  H25  106.56  3.000
 QNJ  H26  C18  H25  107.05  3.000
 QNJ  H27  C18  C13  112.53  3.000
 QNJ  H26  C18  C13  111.23  3.000
 QNJ  H25  C18  C13  112.22  3.000
 QNJ  H30  C19  H29  106.63  3.000
 QNJ  H30  C19  H28  106.86  3.000
 QNJ  H29  C19  H28  107.66  3.000
 QNJ  H30  C19  C10  111.65  3.000
 QNJ  H29  C19  C10  112.02  3.000
 QNJ  H28  C19  C10  111.72  3.000
 QNJ  H31  C20  C22  107.26  3.000
 QNJ  H31  C20  C21  108.29  3.000
 QNJ  C22  C20  C21  110.01  3.000
 QNJ  H31  C20  C17  107.72  3.000
 QNJ  C22  C20  C17  110.52  3.000
 QNJ  C21  C20  C17  112.84  3.000
 QNJ  H34  C21  H33  107.72  3.000
 QNJ  H34  C21  H32  106.67  3.000
 QNJ  H33  C21  H32  107.42  3.000
 QNJ  H34  C21  C20  112.42  3.000
 QNJ  H33  C21  C20  110.87  3.000
 QNJ  H32  C21  C20  111.49  3.000
 QNJ  H36  C22  H35  105.80  3.000
 QNJ  H36  C22  C23  109.75  3.000
 QNJ  H35  C22  C23  107.75  3.000
 QNJ  H36  C22  C20  108.93  3.000
 QNJ  H35  C22  C20  109.93  3.000
 QNJ  C23  C22  C20  114.34  3.000
 QNJ  H38  C23  H37  105.98  3.000
 QNJ  H38  C23  C24  109.29  3.000
 QNJ  H37  C23  C24  109.58  3.000
 QNJ  H38  C23  C22  108.88  3.000
 QNJ  H37  C23  C22  110.28  3.000
 QNJ  C24  C23  C22  112.61  3.000
 QNJ  H40  C24  H39  106.00  3.000
 QNJ  H40  C24  C25  108.92  3.000
 QNJ  H39  C24  C25  108.44  3.000
 QNJ  H40  C24  C23  109.48  3.000
 QNJ  H39  C24  C23  108.79  3.000
 QNJ  C25  C24  C23  114.83  3.000
 QNJ  H41  C25  C27  108.07  3.000
 QNJ  H41  C25  C26  108.15  3.000
 QNJ  C27  C25  C26  110.28  3.000
 QNJ  H41  C25  C24  107.67  3.000
 QNJ  C26  C25  C24  110.27  3.000
 QNJ  C27  C25  C24  112.25  3.000
 QNJ  H44  C26  H43  107.62  3.000
 QNJ  H44  C26  H42  107.56  3.000
 QNJ  H43  C26  H42  107.64  3.000
 QNJ  H44  C26  C25  110.72  3.000
 QNJ  H43  C26  C25  111.59  3.000
 QNJ  H42  C26  C25  111.53  3.000
 QNJ  H47  C27  H46  107.64  3.000
 QNJ  H47  C27  H45  107.22  3.000
 QNJ  H46  C27  H45  107.52  3.000
 QNJ  H47  C27  C25  112.32  3.000
 QNJ  H46  C27  C25  110.81  3.000
 QNJ  H45  C27  C25  111.11  3.000
 QNJ  H48  O1   C3   108.05  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
 QNJ  Var_01  C10  C1   C2   C3    -58.17  30.0  1
 QNJ  Var_02  C8   C7   C6   C5    -32.97  30.0  1
 QNJ  Var_03  C13  C12  C11  C9    -54.60  30.0  1
 QNJ  Var_04  C17  C16  C15  C14     9.59  30.0  1
 QNJ  Var_05  C24  C23  C22  C20  -179.35  30.0  3
 QNJ  Var_06  C25  C24  C23  C22  -172.42  30.0  3
 QNJ  Var_07  C27  C25  C24  C23   -60.23  30.0  3
 QNJ  Var_08  H45  C27  C25  C24  -178.52  30.0  3
 QNJ  Var_09  H42  C26  C25  C24  -178.09  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
 QNJ  chir_01  C3   O1   C2   C4   negativ
 QNJ  chir_02  C5   C4   C10  C6   positiv
 QNJ  chir_03  C8   C9   C7   C14  negativ
 QNJ  chir_04  C9   C10  C11  C8   negativ
 QNJ  chir_05  C10  C5   C1   C9   positiv
 QNJ  chir_06  C13  C14  C12  C17  positiv
 QNJ  chir_07  C14  C15  C13  C8   positiv
 QNJ  chir_08  C17  C13  C20  C16  negativ
 QNJ  chir_09  C20  C22  C21  C17  negativ

