# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Mon May 18 19:43:25 2020
#   Inital geometry file: a 167 line input string
#   Ligand name: (3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S,6S)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16H-cyclopenta[a]phenanthren-16-one (non-preferred name)
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[C@H](C)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[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
 0T9  0T9  '(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S,6S)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16H-cyclopenta[a]phenanthren-16-one (non-preferred name)'  ligand  75  31  .  2021-08-03  2021-08-03  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_0T9
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
 0T9  C2   C  CH2   0  -0.468    6.7763  -1.3776  -0.5122
 0T9  C4   C  C     0   0.207    5.1551   0.9574   0.1165
 0T9  C5   C  CT    0  -0.131    4.5059  -0.4112   0.2491
 0T9  C6   C  CH2   0  -0.432    5.2605  -1.4007  -0.6651
 0T9  C8   C  CH1   0  -0.183    3.0266  -0.3479  -0.2087
 0T9  C16  C  CH3   0  -0.681    0.0142  -0.6472   1.8407
 0T9  C14  C  CT    0  -0.077    0.0754  -0.4436   0.3243
 0T9  C13  C  CH2   0  -0.406    0.7881  -1.6097  -0.3579
 0T9  C12  C  CH2   0  -0.453    2.2675  -1.6581   0.0335
 0T9  C7   C  CH3   0  -0.674    4.6322  -0.8634   1.7131
 0T9  C1   C  CH1   0   0.090    7.3152   0.0163  -0.7655
 0T9  O1   O  OH1   0  -0.677    8.7202  -0.0100  -0.6179
 0T9  C3   C  CH2   0  -0.548    6.6583   1.0030   0.1966
 0T9  C11  C  C1    0  -0.328    4.4534   2.0769  -0.0524
 0T9  C10  C  CH2   0  -0.453    2.9633   2.1519  -0.0988
 0T9  C9   C  CH1   0  -0.242    2.2921   0.8676   0.3738
 0T9  C15  C  CH1   0  -0.201    0.8418   0.8356  -0.0722
 0T9  C21  C  CH2   0  -0.570   -0.0741   1.9782   0.3431
 0T9  C18  C  C     0   0.435   -1.4542   1.3820   0.1720
 0T9  O2   O  O     0  -0.398   -2.5000   1.9622   0.3453
 0T9  C17  C  CH1   0  -0.327   -1.3298  -0.0858  -0.2097
 0T9  C19  C  CH1   0  -0.370   -2.5593  -0.8771   0.2211
 0T9  C22  C  CH3   0  -0.664   -2.4692  -2.3757  -0.0928
 0T9  C20  C  C     0   0.451   -3.8036  -0.3619  -0.4905
 0T9  O3   O  O     0  -0.418   -3.7925  -0.1171  -1.6766
 0T9  C23  C  CH2   0  -0.581   -5.0492  -0.2721   0.3472
 0T9  C24  C  CH2   0  -0.401   -6.3317  -0.0194  -0.4284
 0T9  C25  C  CH1   0  -0.223   -7.5939  -0.0757   0.4362
 0T9  C27  C  CH3   0  -0.672   -7.5828   0.9929   1.5254
 0T9  C26  C  CH2   0  -0.405   -8.8352   0.0383  -0.4531
 0T9  C28  C  CH3   0  -0.671  -10.1560  -0.1718   0.2755
 0T9  H1   H  HCH2  0   0.221    7.0670  -1.7074   0.4913
 0T9  H2   H  HCH2  0   0.239    7.2204  -2.0866  -1.2162
 0T9  H3   H  HCH2  0   0.222    5.0082  -1.1742  -1.7071
 0T9  H4   H  HCH2  0   0.237    4.9026  -2.4154  -0.4784
 0T9  H5   H  HCH1  0   0.209    3.0474  -0.1876  -1.2973
 0T9  H6   H  HCH3  0   0.240   -0.5500  -1.5489   2.0861
 0T9  H7   H  HCH3  0   0.243    1.0018  -0.7639   2.2845
 0T9  H8   H  HCH3  0   0.233   -0.4693   0.1828   2.3608
 0T9  H9   H  HCH2  0   0.233    0.3316  -2.5673  -0.1017
 0T9  H10  H  HCH2  0   0.219    0.6927  -1.4963  -1.4436
 0T9  H11  H  HCH2  0   0.240    2.7461  -2.4662  -0.5242
 0T9  H12  H  HCH2  0   0.225    2.3437  -1.9451   1.0846
 0T9  H13  H  HCH3  0   0.229    4.3447  -1.9077   1.8412
 0T9  H14  H  HCH3  0   0.236    5.6575  -0.7723   2.0713
 0T9  H15  H  HCH3  0   0.233    4.0083  -0.2598   2.3743
 0T9  H16  H  HCH1  0   0.190    7.0439   0.3089  -1.7921
 0T9  H17  H  HOH1  0   0.446    9.0610   0.8631  -0.8359
 0T9  H18  H  HCH2  0   0.240    7.0049   2.0198  -0.0112
 0T9  H19  H  HCH2  0   0.230    6.9945   0.7583   1.2115
 0T9  H20  H  H     0   0.222    4.9904   3.0156  -0.1631
 0T9  H21  H  HCH2  0   0.241    2.6214   3.0012   0.5015
 0T9  H22  H  HCH2  0   0.226    2.6446   2.3775  -1.1252
 0T9  H23  H  HCH1  0   0.223    2.3397   0.8350   1.4687
 0T9  H24  H  HCH1  0   0.230    0.8614   0.8377  -1.1731
 0T9  H25  H  HCH2  0   0.273    0.0604   2.2688   1.3906
 0T9  H26  H  HCH2  0   0.283    0.0364   2.8863  -0.2526
 0T9  H27  H  HCH1  0   0.284   -1.2692  -0.1097  -1.3090
 0T9  H28  H  HCH1  0   0.258   -2.7057  -0.7642   1.2997
 0T9  H29  H  HCH3  0   0.234   -2.1962  -2.5432  -1.1348
 0T9  H30  H  HCH3  0   0.246   -1.7259  -2.8650   0.5343
 0T9  H31  H  HCH3  0   0.247   -3.4211  -2.8756   0.0951
 0T9  H32  H  HCH2  0   0.257   -5.1244  -1.1920   0.9396
 0T9  H33  H  HCH2  0   0.273   -4.8643   0.5169   1.0835
 0T9  H34  H  HCH2  0   0.216   -6.2796   0.9554  -0.9246
 0T9  H35  H  HCH2  0   0.225   -6.4192  -0.7638  -1.2250
 0T9  H36  H  HCH1  0   0.206   -7.6219  -1.0597   0.9236
 0T9  H37  H  HCH3  0   0.232   -6.7183   0.8968   2.1829
 0T9  H38  H  HCH3  0   0.212   -7.5547   1.9931   1.0848
 0T9  H39  H  HCH3  0   0.233   -8.4684   0.9348   2.1583
 0T9  H40  H  HCH2  0   0.207   -8.8354   1.0199  -0.9406
 0T9  H41  H  HCH2  0   0.217   -8.7573  -0.6988  -1.2583
 0T9  H42  H  HCH3  0   0.228  -10.9949  -0.1533  -0.4211
 0T9  H43  H  HCH3  0   0.215  -10.1726  -1.1371   0.7858
 0T9  H44  H  HCH3  0   0.220  -10.3403   0.5988   1.0245

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
 0T9  C22  C19  single  1.534  0.020  1.534
 0T9  C7   C5   single  1.537  0.020  1.537
 0T9  C16  C14  single  1.531  0.020  1.531
 0T9  C12  C13  single  1.531  0.020  1.531
 0T9  C12  C8   single  1.533  0.020  1.533
 0T9  C2   C6   single  1.524  0.020  1.524
 0T9  C2   C1   single  1.516  0.020  1.516
 0T9  C13  C14  single  1.527  0.020  1.527
 0T9  C6   C5   single  1.544  0.020  1.544
 0T9  C19  C20  single  1.523  0.020  1.523
 0T9  C19  C17  single  1.524  0.020  1.524
 0T9  C5   C8   single  1.550  0.020  1.550
 0T9  C5   C4   single  1.521  0.020  1.521
 0T9  C14  C17  single  1.545  0.020  1.545
 0T9  C14  C15  single  1.543  0.020  1.543
 0T9  C8   C9   single  1.535  0.020  1.535
 0T9  O1   C1   single  1.413  0.020  1.413
 0T9  C23  C20  single  1.504  0.020  1.504
 0T9  C23  C24  single  1.520  0.020  1.520
 0T9  C1   C3   single  1.527  0.020  1.527
 0T9  C20  O3   double  1.211  0.020  1.211
 0T9  C28  C26  single  1.523  0.020  1.523
 0T9  C17  C18  single  1.522  0.020  1.522
 0T9  C9   C15  single  1.518  0.020  1.518
 0T9  C9   C10  single  1.524  0.020  1.524
 0T9  C3   C4   single  1.506  0.020  1.506
 0T9  C4   C11  double  1.332  0.020  1.332
 0T9  C15  C21  single  1.522  0.020  1.522
 0T9  C26  C25  single  1.531  0.020  1.531
 0T9  C18  O2   double  1.208  0.020  1.208
 0T9  C18  C21  single  1.513  0.020  1.513
 0T9  C24  C25  single  1.531  0.020  1.531
 0T9  C11  C10  single  1.493  0.020  1.493
 0T9  C25  C27  single  1.526  0.020  1.526
 0T9  C2   H1   single  0.970  0.020  1.090
 0T9  C2   H2   single  0.970  0.020  1.090
 0T9  C6   H3   single  0.970  0.020  1.090
 0T9  C6   H4   single  0.970  0.020  1.090
 0T9  C8   H5   single  0.970  0.020  1.090
 0T9  C16  H6   single  0.970  0.020  1.090
 0T9  C16  H7   single  0.970  0.020  1.090
 0T9  C16  H8   single  0.970  0.020  1.090
 0T9  C13  H9   single  0.970  0.020  1.090
 0T9  C13  H10  single  0.970  0.020  1.090
 0T9  C12  H11  single  0.970  0.020  1.090
 0T9  C12  H12  single  0.970  0.020  1.090
 0T9  C7   H13  single  0.970  0.020  1.090
 0T9  C7   H14  single  0.970  0.020  1.090
 0T9  C7   H15  single  0.970  0.020  1.090
 0T9  C1   H16  single  0.970  0.020  1.090
 0T9  O1   H17  single  0.850  0.020  0.980
 0T9  C3   H18  single  0.970  0.020  1.090
 0T9  C3   H19  single  0.970  0.020  1.090
 0T9  C11  H20  single  0.930  0.020  1.080
 0T9  C10  H21  single  0.970  0.020  1.090
 0T9  C10  H22  single  0.970  0.020  1.090
 0T9  C9   H23  single  0.970  0.020  1.090
 0T9  C15  H24  single  0.970  0.020  1.090
 0T9  C21  H25  single  0.970  0.020  1.090
 0T9  C21  H26  single  0.970  0.020  1.090
 0T9  C17  H27  single  0.970  0.020  1.090
 0T9  C19  H28  single  0.970  0.020  1.090
 0T9  C22  H29  single  0.970  0.020  1.090
 0T9  C22  H30  single  0.970  0.020  1.090
 0T9  C22  H31  single  0.970  0.020  1.090
 0T9  C23  H32  single  0.970  0.020  1.090
 0T9  C23  H33  single  0.970  0.020  1.090
 0T9  C24  H34  single  0.970  0.020  1.090
 0T9  C24  H35  single  0.970  0.020  1.090
 0T9  C25  H36  single  0.970  0.020  1.090
 0T9  C27  H37  single  0.970  0.020  1.090
 0T9  C27  H38  single  0.970  0.020  1.090
 0T9  C27  H39  single  0.970  0.020  1.090
 0T9  C26  H40  single  0.970  0.020  1.090
 0T9  C26  H41  single  0.970  0.020  1.090
 0T9  C28  H42  single  0.970  0.020  1.090
 0T9  C28  H43  single  0.970  0.020  1.090
 0T9  C28  H44  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
 0T9  H2   C2   H1   106.67  3.000
 0T9  H2   C2   C1   110.14  3.000
 0T9  H1   C2   C1   109.61  3.000
 0T9  H2   C2   C6   109.24  3.000
 0T9  H1   C2   C6   110.57  3.000
 0T9  C1   C2   C6   110.54  3.000
 0T9  C11  C4   C3   120.47  3.000
 0T9  C11  C4   C5   122.86  3.000
 0T9  C3   C4   C5   116.67  3.000
 0T9  C7   C5   C8   111.82  3.000
 0T9  C8   C5   C6   108.53  3.000
 0T9  C7   C5   C6   109.58  3.000
 0T9  C8   C5   C4   110.18  3.000
 0T9  C6   C5   C4   108.45  3.000
 0T9  C7   C5   C4   108.22  3.000
 0T9  H4   C6   H3   106.21  3.000
 0T9  H4   C6   C5   109.52  3.000
 0T9  H3   C6   C5   108.54  3.000
 0T9  H4   C6   C2   108.84  3.000
 0T9  H3   C6   C2   108.75  3.000
 0T9  C5   C6   C2   114.65  3.000
 0T9  H5   C8   C9   105.61  3.000
 0T9  H5   C8   C12  106.86  3.000
 0T9  C9   C8   C12  112.32  3.000
 0T9  H5   C8   C5   106.27  3.000
 0T9  C9   C8   C5   112.14  3.000
 0T9  C12  C8   C5   113.01  3.000
 0T9  H8   C16  H7   106.79  3.000
 0T9  H8   C16  H6   106.97  3.000
 0T9  H7   C16  H6   106.78  3.000
 0T9  H8   C16  C14  112.84  3.000
 0T9  H7   C16  C14  112.42  3.000
 0T9  H6   C16  C14  110.68  3.000
 0T9  C17  C14  C15   99.84  3.000
 0T9  C15  C14  C13  106.64  3.000
 0T9  C17  C14  C13  116.53  3.000
 0T9  C15  C14  C16  112.62  3.000
 0T9  C17  C14  C16  109.67  3.000
 0T9  C13  C14  C16  111.07  3.000
 0T9  H10  C13  H9   106.67  3.000
 0T9  H10  C13  C12  109.92  3.000
 0T9  H9   C13  C12  108.45  3.000
 0T9  H10  C13  C14  108.84  3.000
 0T9  H9   C13  C14  111.70  3.000
 0T9  C12  C13  C14  111.15  3.000
 0T9  H12  C12  H11  105.45  3.000
 0T9  H12  C12  C13  108.77  3.000
 0T9  H11  C12  C13  108.44  3.000
 0T9  H12  C12  C8   110.00  3.000
 0T9  H11  C12  C8   109.54  3.000
 0T9  C13  C12  C8   114.26  3.000
 0T9  H15  C7   H14  107.00  3.000
 0T9  H15  C7   H13  107.92  3.000
 0T9  H14  C7   H13  106.82  3.000
 0T9  H15  C7   C5   111.55  3.000
 0T9  H14  C7   C5   111.45  3.000
 0T9  H13  C7   C5   111.83  3.000
 0T9  H16  C1   C3   108.04  3.000
 0T9  H16  C1   O1   110.32  3.000
 0T9  C3   C1   O1   111.97  3.000
 0T9  H16  C1   C2   108.21  3.000
 0T9  C3   C1   C2   109.64  3.000
 0T9  O1   C1   C2   108.60  3.000
 0T9  H17  O1   C1   108.16  3.000
 0T9  H19  C3   H18  106.62  3.000
 0T9  H19  C3   C1   107.88  3.000
 0T9  H18  C3   C1   110.16  3.000
 0T9  H19  C3   C4   110.39  3.000
 0T9  H18  C3   C4   109.53  3.000
 0T9  C1   C3   C4   112.11  3.000
 0T9  H20  C11  C10  116.53  3.000
 0T9  H20  C11  C4   118.58  3.000
 0T9  C10  C11  C4   124.90  3.000
 0T9  H22  C10  H21  105.22  3.000
 0T9  H22  C10  C9   109.58  3.000
 0T9  H21  C10  C9   110.25  3.000
 0T9  H22  C10  C11  109.21  3.000
 0T9  H21  C10  C11  109.49  3.000
 0T9  C9   C10  C11  112.80  3.000
 0T9  H23  C9   C15  109.53  3.000
 0T9  H23  C9   C10  108.40  3.000
 0T9  C15  C9   C10  110.33  3.000
 0T9  H23  C9   C8   109.56  3.000
 0T9  C10  C9   C8   109.81  3.000
 0T9  C15  C9   C8   109.21  3.000
 0T9  H24  C15  C21  106.39  3.000
 0T9  H24  C15  C9   106.07  3.000
 0T9  C21  C15  C9   118.62  3.000
 0T9  H24  C15  C14  105.51  3.000
 0T9  C21  C15  C14  104.68  3.000
 0T9  C9   C15  C14  114.62  3.000
 0T9  H26  C21  H25  106.78  3.000
 0T9  H26  C21  C18  111.00  3.000
 0T9  H25  C21  C18  108.95  3.000
 0T9  H26  C21  C15  114.49  3.000
 0T9  H25  C21  C15  112.72  3.000
 0T9  C18  C21  C15  102.84  3.000
 0T9  C17  C18  O2   124.74  3.000
 0T9  O2   C18  C21  125.73  3.000
 0T9  C17  C18  C21  109.51  3.000
 0T9  H27  C17  C19  108.38  3.000
 0T9  H27  C17  C18  106.01  3.000
 0T9  C19  C17  C18  111.34  3.000
 0T9  H27  C17  C14  106.85  3.000
 0T9  C18  C17  C14  102.18  3.000
 0T9  C19  C17  C14  121.04  3.000
 0T9  H28  C19  C20  108.44  3.000
 0T9  H28  C19  C22  108.08  3.000
 0T9  C20  C19  C22  106.43  3.000
 0T9  H28  C19  C17  109.44  3.000
 0T9  C20  C19  C17  110.57  3.000
 0T9  C22  C19  C17  113.70  3.000
 0T9  H31  C22  H30  106.88  3.000
 0T9  H31  C22  H29  108.21  3.000
 0T9  H30  C22  H29  108.09  3.000
 0T9  H31  C22  C19  111.17  3.000
 0T9  H30  C22  C19  111.19  3.000
 0T9  H29  C22  C19  111.13  3.000
 0T9  C23  C20  O3   122.75  3.000
 0T9  O3   C20  C19  121.23  3.000
 0T9  C23  C20  C19  115.89  3.000
 0T9  H33  C23  H32  104.64  3.000
 0T9  H33  C23  C24  111.45  3.000
 0T9  H32  C23  C24  110.93  3.000
 0T9  H33  C23  C20  106.13  3.000
 0T9  H32  C23  C20  107.92  3.000
 0T9  C24  C23  C20  115.13  3.000
 0T9  H35  C24  H34  106.24  3.000
 0T9  H35  C24  C25  108.68  3.000
 0T9  H34  C24  C25  109.14  3.000
 0T9  H35  C24  C23  109.03  3.000
 0T9  H34  C24  C23  109.82  3.000
 0T9  C25  C24  C23  113.67  3.000
 0T9  H36  C25  C26  107.68  3.000
 0T9  H36  C25  C27  108.10  3.000
 0T9  C26  C25  C27  111.61  3.000
 0T9  H36  C25  C24  107.73  3.000
 0T9  C27  C25  C24  111.80  3.000
 0T9  C26  C25  C24  109.73  3.000
 0T9  H39  C27  H38  107.68  3.000
 0T9  H39  C27  H37  106.82  3.000
 0T9  H38  C27  H37  107.65  3.000
 0T9  H39  C27  C25  111.79  3.000
 0T9  H38  C27  C25  110.68  3.000
 0T9  H37  C27  C25  111.99  3.000
 0T9  H41  C26  H40  106.02  3.000
 0T9  H41  C26  C28  108.71  3.000
 0T9  H40  C26  C28  109.64  3.000
 0T9  H41  C26  C25  108.63  3.000
 0T9  H40  C26  C25  108.97  3.000
 0T9  C28  C26  C25  114.51  3.000
 0T9  H44  C28  H43  107.53  3.000
 0T9  H44  C28  H42  107.26  3.000
 0T9  H43  C28  H42  107.57  3.000
 0T9  H44  C28  C26  112.19  3.000
 0T9  H43  C28  C26  111.02  3.000
 0T9  H42  C28  C26  111.05  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
 0T9  Var_01  C9   C10  C11  C4     12.83  30.0  1
 0T9  Var_02  C1   C2   C6   C5    -57.05  30.0  1
 0T9  Var_03  C1   C3   C4   C5     51.80  30.0  1
 0T9  Var_04  C10  C11  C4   C5      1.65  30.0  1
 0T9  Var_05  C14  C13  C12  C8    -54.07  30.0  1
 0T9  Var_06  C17  C18  C21  C15     4.76  30.0  1
 0T9  Var_07  C24  C23  C20  C19  -168.63  30.0  1
 0T9  Var_08  C25  C24  C23  C20   174.12  30.0  3
 0T9  Var_09  H42  C28  C26  C25  -175.73  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
 0T9  chir_01  C5   C6   C8   C4   positiv
 0T9  chir_02  C8   C12  C5   C9   positiv
 0T9  chir_03  C14  C13  C17  C15  positiv
 0T9  chir_04  C1   C2   O1   C3   positiv
 0T9  chir_05  C9   C8   C15  C10  positiv
 0T9  chir_06  C15  C21  C9   C14  negativ
 0T9  chir_07  C17  C18  C14  C19  negativ
 0T9  chir_08  C19  C17  C20  C22  negativ
 0T9  chir_09  C25  C27  C24  C26  positiv

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
 0T9  plan-1  C21  0.020
 0T9  plan-1  C18  0.020
 0T9  plan-1  O2   0.020
 0T9  plan-1  C17  0.020
 0T9  plan-2  C19  0.020
 0T9  plan-2  C20  0.020
 0T9  plan-2  O3   0.020
 0T9  plan-2  C23  0.020

