# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Sun Jun 21 15:24:38 2020
#   Inital geometry file: a 165 line input string
#   Ligand name: (1S,3S)-3-ethyl-3,10,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)cccc5C(=O)c4cc3C1
#
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
 AKT  AKT  '(1S,3S)-3-ethyl-3,10,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside'  ligand  70  37  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_AKT
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
 AKT  O12   O  O     0  -0.374  -4.5132   2.2471  -1.4700
 AKT  C12   C  CR6   0   0.315  -4.1835   1.2675  -0.8332
 AKT  C15   C  CR66  0  -0.033  -5.1421   0.1585  -0.5904
 AKT  C1    C  CR16  0  -0.304  -6.4502   0.3400  -1.0030
 AKT  C2    C  CR16  0  -0.217  -7.3849  -0.6611  -0.7757
 AKT  C3    C  CR16  0  -0.375  -7.0138  -1.8312  -0.1506
 AKT  C16   C  CR66  0  -0.126  -4.7345  -1.0289   0.0496
 AKT  C4    C  CR6   0   0.376  -5.6939  -2.0366   0.2638
 AKT  O4    O  OH1   0  -0.589  -5.3509  -3.1785   0.8600
 AKT  C5    C  CR6   0   0.429  -3.3349  -1.1895   0.4774
 AKT  O5    O  O     0  -0.454  -2.9243  -2.2518   0.9459
 AKT  C18   C  CR66  0  -0.016  -2.8255   1.1457  -0.2640
 AKT  C17   C  CR66  0  -0.213  -2.4246  -0.0498   0.3517
 AKT  C6    C  CR6   0   0.384  -1.1141  -0.1422   0.8547
 AKT  O6    O  OH1   0  -0.609  -0.6659  -1.2448   1.4355
 AKT  C11   C  CR16  0  -0.384  -1.9582   2.2100  -0.3558
 AKT  C19   C  CR6   0   0.130  -0.6660   2.1301   0.1764
 AKT  C10   C  CH2   0  -0.534   0.2026   3.3537   0.1094
 AKT  C20   C  CR6   0  -0.026  -0.2375   0.9593   0.7794
 AKT  C7    C  CH1   0   0.000   1.1539   0.8069   1.3454
 AKT  C8    C  CH2   0  -0.469   1.8737   2.1459   1.4619
 AKT  C9    C  CT    0   0.202   1.6944   3.0649   0.2614
 AKT  O9    O  OH1   0  -0.665   2.1772   2.3704  -0.8742
 AKT  C13   C  CH2   0  -0.425   2.4848   4.3595   0.4909
 AKT  C14   C  CH3   0  -0.699   2.4867   5.3331  -0.6813
 AKT  O7    O  O2    0  -0.493   1.8267  -0.1336   0.5284
 AKT  C1'   C  CH1   0   0.277   2.6351  -1.0595   1.1883
 AKT  C2'   C  CH2   0  -0.481   2.9729  -2.1653   0.2021
 AKT  C3'   C  CH1   0  -0.067   3.9572  -1.6909  -0.8688
 AKT  N3'   N  NT    0  -0.417   4.2698  -2.7728  -1.7933
 AKT  C8'   C  CH3   0  -0.524   3.1230  -3.1511  -2.6146
 AKT  C7'   C  CH3   0  -0.544   5.4439  -2.5549  -2.6107
 AKT  C4'   C  CH1   0  -0.002   5.1839  -1.1089  -0.1686
 AKT  O4'   O  OH1   0  -0.672   5.8589  -2.1426   0.5095
 AKT  C5'   C  CH1   0   0.021   4.7231   0.0067   0.7720
 AKT  O5'   O  O2    0  -0.506   3.7888  -0.4726   1.7282
 AKT  C6'   C  CH3   0  -0.714   5.8654   0.6421   1.5400
 AKT  H2    H  HCR6  0   0.272  -6.7441   1.2567  -1.4932
 AKT  H3    H  HCR6  0   0.282  -8.4116  -0.5258  -1.0880
 AKT  H4    H  HCR6  0   0.292  -7.7498  -2.6081   0.0222
 AKT  HO4   H  HOH1  0   0.484  -6.1330  -3.7297   0.9872
 AKT  HO6   H  HOH1  0   0.484  -1.3948  -1.9116   1.3948
 AKT  H11   H  HCR6  0   0.258  -2.2770   3.1256  -0.8374
 AKT  H101  H  HCH2  0   0.267  -0.1154   4.0421   0.8994
 AKT  H102  H  HCH2  0   0.264   0.0003   3.8753  -0.8306
 AKT  H7    H  HCH1  0   0.235   1.0625   0.4018   2.3629
 AKT  H81   H  HCH2  0   0.265   2.9334   1.9772   1.6580
 AKT  H82   H  HCH2  0   0.248   1.4827   2.6626   2.3434
 AKT  HO9   H  HOH1  0   0.442   1.9680   2.8874  -1.6593
 AKT  H131  H  HCH2  0   0.229   3.5173   4.0898   0.7327
 AKT  H132  H  HCH2  0   0.221   2.0853   4.8605   1.3768
 AKT  H141  H  HCH3  0   0.242   3.0145   6.2474  -0.4104
 AKT  H142  H  HCH3  0   0.222   2.9962   4.9223  -1.5543
 AKT  H143  H  HCH3  0   0.231   1.4799   5.6230  -0.9853
 AKT  H1'   H  HCH1  0   0.221   2.1041  -1.4730   2.0550
 AKT  H2'1  H  HCH2  0   0.237   3.4086  -3.0051   0.7470
 AKT  H2'2  H  HCH2  0   0.245   2.0424  -2.5254  -0.2387
 AKT  H3'   H  HCH1  0   0.209   3.5031  -0.8408  -1.4099
 AKT  H8'1  H  HCH3  0   0.222   3.2980  -2.9467  -3.6749
 AKT  H8'2  H  HCH3  0   0.223   2.8862  -4.2141  -2.5195
 AKT  H8'3  H  HCH3  0   0.225   2.2246  -2.5944  -2.3448
 AKT  H7'1  H  HCH3  0   0.237   6.3490  -2.5194  -2.0063
 AKT  H7'2  H  HCH3  0   0.238   5.5593  -3.3952  -3.2963
 AKT  H7'3  H  HCH3  0   0.190   5.4017  -1.6395  -3.2216
 AKT  H4'   H  HCH1  0   0.229   5.8359  -0.6314  -0.9139
 AKT  H1    H  HOH1  0   0.453   6.6949  -1.7997   0.8393
 AKT  H5'   H  HCH1  0   0.222   4.2544   0.7762   0.1446
 AKT  H6'1  H  HCH3  0   0.234   6.6812   0.9032   0.8645
 AKT  H6'2  H  HCH3  0   0.245   5.5417   1.5601   2.0316
 AKT  H6'3  H  HCH3  0   0.229   6.2603  -0.0233   2.3096

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
 AKT  O12  C12   double    1.214  0.020  1.214
 AKT  C12  C15   single    1.486  0.020  1.486
 AKT  C12  C18   single    1.477  0.020  1.477
 AKT  C15  C1    aromatic  1.384  0.020  1.384
 AKT  C15  C16   aromatic  1.409  0.020  1.409
 AKT  C1   C2    aromatic  1.388  0.020  1.388
 AKT  C1   H2    single    0.930  0.020  1.080
 AKT  C2   C3    aromatic  1.378  0.020  1.378
 AKT  C2   H3    single    0.930  0.020  1.080
 AKT  C3   C4    aromatic  1.399  0.020  1.399
 AKT  C3   H4    single    0.930  0.020  1.080
 AKT  C16  C4    aromatic  1.408  0.020  1.408
 AKT  C16  C5    single    1.472  0.020  1.472
 AKT  C4   O4    single    1.333  0.020  1.333
 AKT  O4   HO4   single    0.850  0.020  0.980
 AKT  C5   O5    double    1.231  0.020  1.231
 AKT  C5   C17   single    1.464  0.020  1.464
 AKT  C18  C17   aromatic  1.403  0.020  1.403
 AKT  C18  C11   aromatic  1.376  0.020  1.376
 AKT  C17  C6    aromatic  1.407  0.020  1.407
 AKT  C6   O6    single    1.324  0.020  1.324
 AKT  C6   C20   aromatic  1.410  0.020  1.410
 AKT  O6   HO6   single    0.850  0.020  0.980
 AKT  C11  C19   aromatic  1.400  0.020  1.400
 AKT  C11  H11   single    0.930  0.020  1.080
 AKT  C19  C10   single    1.502  0.020  1.502
 AKT  C19  C20   aromatic  1.385  0.020  1.385
 AKT  C10  C9    single    1.527  0.020  1.527
 AKT  C10  H101  single    0.970  0.020  1.090
 AKT  C10  H102  single    0.970  0.020  1.090
 AKT  C20  C7    single    1.510  0.020  1.510
 AKT  C7   C8    single    1.525  0.020  1.525
 AKT  C7   O7    single    1.416  0.020  1.416
 AKT  C7   H7    single    0.970  0.020  1.090
 AKT  C8   C9    single    1.522  0.020  1.522
 AKT  C8   H81   single    0.970  0.020  1.090
 AKT  C8   H82   single    0.970  0.020  1.090
 AKT  C9   O9    single    1.416  0.020  1.416
 AKT  C9   C13   single    1.534  0.020  1.534
 AKT  O9   HO9   single    0.850  0.020  0.980
 AKT  C13  C14   single    1.524  0.020  1.524
 AKT  C13  H131  single    0.970  0.020  1.090
 AKT  C13  H132  single    0.970  0.020  1.090
 AKT  C14  H141  single    0.970  0.020  1.090
 AKT  C14  H142  single    0.970  0.020  1.090
 AKT  C14  H143  single    0.970  0.020  1.090
 AKT  O7   C1'   single    1.395  0.020  1.395
 AKT  C1'  C2'   single    1.520  0.020  1.520
 AKT  C1'  O5'   single    1.402  0.020  1.402
 AKT  C1'  H1'   single    0.970  0.020  1.090
 AKT  C2'  C3'   single    1.530  0.020  1.530
 AKT  C2'  H2'1  single    0.970  0.020  1.090
 AKT  C2'  H2'2  single    0.970  0.020  1.090
 AKT  C3'  N3'   single    1.457  0.020  1.457
 AKT  C3'  C4'   single    1.528  0.020  1.528
 AKT  C3'  H3'   single    0.970  0.020  1.090
 AKT  N3'  C8'   single    1.460  0.020  1.460
 AKT  N3'  C7'   single    1.447  0.020  1.447
 AKT  C8'  H8'1  single    0.970  0.020  1.090
 AKT  C8'  H8'2  single    0.970  0.020  1.090
 AKT  C8'  H8'3  single    0.970  0.020  1.090
 AKT  C7'  H7'1  single    0.970  0.020  1.090
 AKT  C7'  H7'2  single    0.970  0.020  1.090
 AKT  C7'  H7'3  single    0.970  0.020  1.090
 AKT  C4'  O4'   single    1.409  0.020  1.409
 AKT  C4'  C5'   single    1.530  0.020  1.530
 AKT  C4'  H4'   single    0.970  0.020  1.090
 AKT  O4'  H1    single    0.850  0.020  0.980
 AKT  C5'  O5'   single    1.420  0.020  1.420
 AKT  C5'  C6'   single    1.516  0.020  1.516
 AKT  C5'  H5'   single    0.970  0.020  1.090
 AKT  C6'  H6'1  single    0.970  0.020  1.090
 AKT  C6'  H6'2  single    0.970  0.020  1.090
 AKT  C6'  H6'3  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
 AKT  C18   C12  C15   117.93  3.000
 AKT  C18   C12  O12   121.21  3.000
 AKT  C15   C12  O12   120.85  3.000
 AKT  C16   C15  C1    121.30  3.000
 AKT  C16   C15  C12   121.10  3.000
 AKT  C1    C15  C12   117.60  3.000
 AKT  H2    C1   C2    120.19  3.000
 AKT  H2    C1   C15   120.26  3.000
 AKT  C2    C1   C15   119.55  3.000
 AKT  H3    C2   C3    119.54  3.000
 AKT  H3    C2   C1    120.11  3.000
 AKT  C3    C2   C1    120.35  3.000
 AKT  H4    C3   C4    119.23  3.000
 AKT  H4    C3   C2    119.87  3.000
 AKT  C4    C3   C2    120.90  3.000
 AKT  C5    C16  C4    121.70  3.000
 AKT  C5    C16  C15   119.92  3.000
 AKT  C4    C16  C15   118.37  3.000
 AKT  O4    C4   C16   120.39  3.000
 AKT  O4    C4   C3    120.08  3.000
 AKT  C16   C4   C3    119.53  3.000
 AKT  HO4   O4   C4    109.85  3.000
 AKT  C17   C5   O5    119.79  3.000
 AKT  C17   C5   C16   118.76  3.000
 AKT  O5    C5   C16   121.44  3.000
 AKT  C11   C18  C17   120.54  3.000
 AKT  C11   C18  C12   119.33  3.000
 AKT  C17   C18  C12   120.13  3.000
 AKT  C6    C17  C18   118.62  3.000
 AKT  C6    C17  C5    119.83  3.000
 AKT  C18   C17  C5    121.55  3.000
 AKT  C20   C6   O6    117.61  3.000
 AKT  C20   C6   C17   120.59  3.000
 AKT  O6    C6   C17   121.79  3.000
 AKT  HO6   O6   C6    107.09  3.000
 AKT  H11   C11  C19   119.29  3.000
 AKT  H11   C11  C18   119.88  3.000
 AKT  C19   C11  C18   120.82  3.000
 AKT  C20   C19  C10   121.95  3.000
 AKT  C20   C19  C11   119.96  3.000
 AKT  C10   C19  C11   118.06  3.000
 AKT  H102  C10  H101  105.45  3.000
 AKT  H102  C10  C9    110.88  3.000
 AKT  H101  C10  C9    109.32  3.000
 AKT  H102  C10  C19   108.65  3.000
 AKT  H101  C10  C19   108.18  3.000
 AKT  C9    C10  C19   113.98  3.000
 AKT  C7    C20  C19   122.25  3.000
 AKT  C7    C20  C6    118.31  3.000
 AKT  C19   C20  C6    119.43  3.000
 AKT  H7    C7   O7    109.20  3.000
 AKT  H7    C7   C8    106.99  3.000
 AKT  O7    C7   C8    113.77  3.000
 AKT  H7    C7   C20   107.92  3.000
 AKT  O7    C7   C20   106.78  3.000
 AKT  C8    C7   C20   112.03  3.000
 AKT  H82   C8   H81   105.97  3.000
 AKT  H82   C8   C9    107.95  3.000
 AKT  H81   C8   C9    110.46  3.000
 AKT  H82   C8   C7    107.92  3.000
 AKT  H81   C8   C7    109.67  3.000
 AKT  C9    C8   C7    114.47  3.000
 AKT  C13   C9   O9    110.99  3.000
 AKT  C13   C9   C8    109.31  3.000
 AKT  O9    C9   C8    107.23  3.000
 AKT  C13   C9   C10   111.01  3.000
 AKT  O9    C9   C10   110.25  3.000
 AKT  C8    C9   C10   107.92  3.000
 AKT  HO9   O9   C9    108.45  3.000
 AKT  H132  C13  H131  106.18  3.000
 AKT  H132  C13  C14   109.33  3.000
 AKT  H131  C13  C14   109.04  3.000
 AKT  H132  C13  C9    108.65  3.000
 AKT  H131  C13  C9    108.13  3.000
 AKT  C14   C13  C9    115.13  3.000
 AKT  H143  C14  H142  107.94  3.000
 AKT  H143  C14  H141  107.05  3.000
 AKT  H142  C14  H141  106.77  3.000
 AKT  H143  C14  C13   112.52  3.000
 AKT  H142  C14  C13   112.06  3.000
 AKT  H141  C14  C13   110.21  3.000
 AKT  C1'   O7   C7    116.31  3.000
 AKT  H1'   C1'  O5'   104.58  3.000
 AKT  H1'   C1'  C2'   110.24  3.000
 AKT  O5'   C1'  C2'   111.80  3.000
 AKT  H1'   C1'  O7    110.09  3.000
 AKT  O5'   C1'  O7    112.40  3.000
 AKT  C2'   C1'  O7    107.75  3.000
 AKT  H2'2  C2'  H2'1  106.75  3.000
 AKT  H2'2  C2'  C3'   111.61  3.000
 AKT  H2'1  C2'  C3'   109.34  3.000
 AKT  H2'2  C2'  C1'   108.23  3.000
 AKT  H2'1  C2'  C1'   108.93  3.000
 AKT  C3'   C2'  C1'   111.81  3.000
 AKT  H3'   C3'  C4'   105.14  3.000
 AKT  H3'   C3'  N3'   110.40  3.000
 AKT  C4'   C3'  N3'   113.67  3.000
 AKT  H3'   C3'  C2'   108.48  3.000
 AKT  C4'   C3'  C2'   108.30  3.000
 AKT  N3'   C3'  C2'   110.60  3.000
 AKT  C7'   N3'  C8'   111.00  3.000
 AKT  C7'   N3'  C3'   114.88  3.000
 AKT  C8'   N3'  C3'   112.38  3.000
 AKT  H8'3  C8'  H8'2  107.24  3.000
 AKT  H8'3  C8'  H8'1  106.03  3.000
 AKT  H8'2  C8'  H8'1  107.50  3.000
 AKT  H8'3  C8'  N3'   112.05  3.000
 AKT  H8'2  C8'  N3'   111.91  3.000
 AKT  H8'1  C8'  N3'   111.79  3.000
 AKT  H7'3  C7'  H7'2  107.20  3.000
 AKT  H7'3  C7'  H7'1  108.21  3.000
 AKT  H7'2  C7'  H7'1  106.62  3.000
 AKT  H7'3  C7'  N3'   114.04  3.000
 AKT  H7'2  C7'  N3'   108.96  3.000
 AKT  H7'1  C7'  N3'   111.46  3.000
 AKT  H4'   C4'  C5'   106.18  3.000
 AKT  H4'   C4'  O4'   111.16  3.000
 AKT  C5'   C4'  O4'   112.55  3.000
 AKT  H4'   C4'  C3'   109.33  3.000
 AKT  C5'   C4'  C3'   108.52  3.000
 AKT  O4'   C4'  C3'   109.02  3.000
 AKT  H1    O4'  C4'   108.66  3.000
 AKT  H5'   C5'  C6'   108.50  3.000
 AKT  H5'   C5'  O5'   109.91  3.000
 AKT  C6'   C5'  O5'   107.22  3.000
 AKT  H5'   C5'  C4'   106.76  3.000
 AKT  C6'   C5'  C4'   112.95  3.000
 AKT  O5'   C5'  C4'   111.46  3.000
 AKT  C5'   O5'  C1'   115.04  3.000
 AKT  H6'3  C6'  H6'2  107.62  3.000
 AKT  H6'3  C6'  H6'1  108.18  3.000
 AKT  H6'2  C6'  H6'1  107.43  3.000
 AKT  H6'3  C6'  C5'   111.98  3.000
 AKT  H6'2  C6'  C5'   110.95  3.000
 AKT  H6'1  C6'  C5'   110.49  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
 AKT  CONST_01  C3    C2   C1   C15     0.00   0.0  0
 AKT  CONST_02  C3    C4   C16  C15     0.00   0.0  0
 AKT  CONST_03  C4    C16  C15  C1      0.00   0.0  0
 AKT  CONST_04  C4    C3   C2   C1      0.00   0.0  0
 AKT  CONST_05  C16   C15  C1   C2      0.00   0.0  0
 AKT  CONST_06  C16   C4   C3   C2      0.00   0.0  0
 AKT  CONST_07  C20   C6   C17  C18     0.00   0.0  0
 AKT  CONST_08  C20   C19  C11  C18     0.00   0.0  0
 AKT  CONST_09  C19   C11  C18  C17     0.00   0.0  0
 AKT  CONST_10  C19   C20  C6   C17     0.00   0.0  0
 AKT  CONST_11  C11   C18  C17  C6      0.00   0.0  0
 AKT  CONST_12  C11   C19  C20  C6      0.00   0.0  0
 AKT  CONST_13  O4    C4   C16  C15   180.00   0.0  0
 AKT  CONST_14  O4    C4   C3   C2    180.00   0.0  0
 AKT  CONST_15  C5    C16  C4   O4      0.00   0.0  0
 AKT  CONST_16  O6    C6   C17  C5      0.00   0.0  0
 AKT  CONST_17  O6    C6   C17  C18   180.00   0.0  0
 AKT  CONST_18  C19   C20  C6   O6    180.00   0.0  0
 AKT  CONST_19  C7    C20  C6   O6      0.00   0.0  0
 AKT  CONST_20  H2    C1   C15  C12     0.00   0.0  0
 AKT  CONST_21  H11   C11  C18  C12     0.00   0.0  0
 AKT  CONST_22  H3    C2   C1   C15   180.00   0.0  0
 AKT  CONST_23  H4    C3   C2   C1    180.00   0.0  0
 AKT  Var_01    C9    C10  C19  C11  -160.33  30.0  1
 AKT  Var_02    H141  C14  C13  C9    176.39  30.0  3
 AKT  Var_03    H8'1  C8'  N3'  C3'   115.47  30.0  3
 AKT  Var_04    H7'1  C7'  N3'  C3'    65.36  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
 AKT  chir_01  C7   C20  C8   O7   positiv
 AKT  chir_02  C9   C13  C8   C10  negativ
 AKT  chir_03  C1'  O5'  O7   C2'  negativ
 AKT  chir_04  C3'  N3'  C4'  C2'  positiv
 AKT  chir_05  C4'  O4'  C5'  C3'  positiv
 AKT  chir_06  C5'  O5'  C4'  C6'  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
 AKT  plan-1  O12  0.020
 AKT  plan-1  C12  0.020
 AKT  plan-1  C15  0.020
 AKT  plan-1  C1   0.020
 AKT  plan-1  C2   0.020
 AKT  plan-1  C3   0.020
 AKT  plan-1  C16  0.020
 AKT  plan-1  C4   0.020
 AKT  plan-1  O4   0.020
 AKT  plan-1  C5   0.020
 AKT  plan-1  O5   0.020
 AKT  plan-1  C18  0.020
 AKT  plan-1  C17  0.020
 AKT  plan-1  C6   0.020
 AKT  plan-1  O6   0.020
 AKT  plan-1  C11  0.020
 AKT  plan-1  C19  0.020
 AKT  plan-1  C10  0.020
 AKT  plan-1  C20  0.020
 AKT  plan-1  C7   0.020
 AKT  plan-1  H2   0.020
 AKT  plan-1  H3   0.020
 AKT  plan-1  H4   0.020
 AKT  plan-1  H11  0.020

