# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Sat Jun 20 03:50:31 2020
#   Inital geometry file: a 166 line input string
#   Ligand name: (2R)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: NCCNCCO[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](N)C[C@H]1NC(=O)[C@H](O)CCN
#
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
 AB9  AB9  (2R)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide  ligand  78  35  .  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_AB9
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
 AB9  C11   C  CH1   0   0.261  -3.8849  -0.3879   1.1103
 AB9  C12   C  CH1   0  -0.095   1.0542   1.5266   0.2917
 AB9  C21   C  CH1   0  -0.106  -4.3845  -1.7706   0.6800
 AB9  C22   C  CH2   0  -0.454  -0.0611   2.4309   0.8018
 AB9  C23   C  C     0   0.499   3.2672   2.5420  -0.1009
 AB9  C24   C  CH1   0  -0.079   4.6707   2.6227   0.4868
 AB9  C25   C  CH2   0  -0.476   5.3436   1.2729   0.2156
 AB9  C26   C  CH2   0  -0.277   6.5403   0.9994   1.1104
 AB9  C29   C  CH2   0  -0.170   2.5449  -1.4722   1.3045
 AB9  C30   C  CH2   0  -0.300   3.3038  -2.6260   0.6852
 AB9  C31   C  CH1   0  -0.001  -4.9838  -1.6683  -0.7167
 AB9  C32   C  CH1   0  -0.099  -1.4335   1.9560   0.3418
 AB9  C33   C  CH2   0  -0.301   6.0196  -2.8281  -1.8973
 AB9  C35   C  CH2   0  -0.265   4.9778  -3.3184  -0.9052
 AB9  O11   O  O2    0  -0.519  -2.8563   0.0080   0.2617
 AB9  N21   N  NH2   0  -0.831  -3.2958  -2.7365   0.7335
 AB9  O31   O  OH1   0  -0.677  -5.5168  -2.9297  -1.0705
 AB9  C41   C  CH1   0   0.033  -6.0765  -0.5979  -0.7201
 AB9  O41   O  OH1   0  -0.676  -6.5707  -0.3698  -2.0194
 AB9  C51   C  CH1   0   0.018  -5.5312   0.7259  -0.1902
 AB9  O51   O  O2    0  -0.505  -4.9391   0.5275   1.0864
 AB9  C61   C  CH2   0  -0.305  -6.5934   1.7947  -0.0172
 AB9  N61   N  NH2   0  -0.796  -5.9892   3.0329   0.4456
 AB9  N12   N  NH1   0  -0.627   2.3557   1.9907   0.7114
 AB9  N32   N  NH2   0  -0.820  -2.4507   2.8221   0.9141
 AB9  C42   C  CH1   0   0.042  -1.6470   0.5158   0.7959
 AB9  C52   C  CH1   0   0.037  -0.5260  -0.4163   0.3239
 AB9  O52   O  OH1   0  -0.709  -0.6879  -1.7130   0.8184
 AB9  C62   C  CH1   0   0.058   0.8347   0.0958   0.7854
 AB9  O62   O  O2    0  -0.498   1.8567  -0.7448   0.3098
 AB9  N31   N  NH1   0  -0.607   4.3502  -2.2066  -0.2219
 AB9  N34   N  NH2   0  -0.802   6.6312  -3.9519  -2.5904
 AB9  O36   O  O     0  -0.495   3.0490   2.8887  -1.2537
 AB9  N27   N  NH2   0  -0.791   7.0603  -0.3359   0.8501
 AB9  O28   O  OH1   0  -0.659   5.3827   3.7125  -0.0293
 AB9  H11   H  HCH1  0   0.246  -3.5407  -0.4210   2.1513
 AB9  H12   H  HCH1  0   0.254   1.0472   1.5310  -0.8014
 AB9  H21   H  HCH1  0   0.237  -5.1943  -2.0421   1.3720
 AB9  H221  H  HCH2  0   0.256   0.1111   3.4507   0.4490
 AB9  H222  H  HCH2  0   0.229  -0.0358   2.4659   1.8966
 AB9  H24   H  HCH1  0   0.252   4.6052   2.7799   1.5687
 AB9  H251  H  HCH2  0   0.251   4.6170   0.4693   0.3518
 AB9  H252  H  HCH2  0   0.235   5.6400   1.2304  -0.8385
 AB9  H261  H  HCH2  0   0.202   7.2868   1.7947   0.9855
 AB9  H262  H  HCH2  0   0.218   6.2151   1.0385   2.1535
 AB9  H291  H  HCH2  0   0.219   1.8481  -1.8875   2.0408
 AB9  H292  H  HCH2  0   0.190   3.2358  -0.8167   1.8560
 AB9  H301  H  HCH2  0   0.219   2.5933  -3.2489   0.1323
 AB9  H302  H  HCH2  0   0.193   3.6742  -3.2522   1.5135
 AB9  H3    H  HCH1  0   0.226  -4.1968  -1.3772  -1.4248
 AB9  H32   H  HCH1  0   0.206  -1.4396   1.9627  -0.7615
 AB9  H331  H  HCH2  0   0.193   6.7423  -2.1926  -1.3655
 AB9  H332  H  HCH2  0   0.215   5.5277  -2.1870  -2.6324
 AB9  H351  H  HCH2  0   0.213   4.2101  -3.8801  -1.4458
 AB9  H352  H  HCH2  0   0.180   5.4498  -4.0358  -0.2105
 AB9  H211  H  HNH2  0   0.369  -3.2294  -3.1139   1.6715
 AB9  H212  H  HNH2  0   0.369  -3.5176  -3.5283   0.1414
 AB9  H4    H  HOH1  0   0.460  -5.4080  -3.0600  -2.0162
 AB9  H41   H  HCH1  0   0.208  -6.8817  -0.9359  -0.0488
 AB9  H2    H  HOH1  0   0.454  -7.1356  -1.1087  -2.2635
 AB9  H51   H  HCH1  0   0.216  -4.7841   1.1142  -0.8963
 AB9  H611  H  HCH2  0   0.235  -7.0486   1.9776  -0.9910
 AB9  H612  H  HCH2  0   0.196  -7.3906   1.4122   0.6375
 AB9  H11A  H  HNH2  0   0.353  -6.6680   3.7810   0.3958
 AB9  H12A  H  HNH2  0   0.344  -5.7375   2.9497   1.4214
 AB9  H5    H  HNH1  0   0.397   2.6309   1.7909   1.6612
 AB9  H321  H  HNH2  0   0.343  -2.2845   3.7727   0.6064
 AB9  H322  H  HNH2  0   0.356  -3.3705   2.5833   0.5638
 AB9  H42   H  HCH1  0   0.217  -1.6872   0.5019   1.8950
 AB9  H52   H  HCH1  0   0.187  -0.5310  -0.4048  -0.7810
 AB9  H1    H  HOH1  0   0.464  -1.6012  -2.0396   0.6311
 AB9  H62   H  HCH1  0   0.214   0.8332   0.1149   1.8877
 AB9  H31   H  HNH1  0   0.346   5.0678  -1.6920   0.2833
 AB9  H341  H  HNH2  0   0.348   7.2973  -3.6046  -3.2679
 AB9  H342  H  HNH2  0   0.338   7.1748  -4.4950  -1.9308
 AB9  H271  H  HNH2  0   0.347   7.4886  -0.3572  -0.0676
 AB9  H272  H  HNH2  0   0.353   7.8040  -0.5470   1.5038
 AB9  H28   H  HOH1  0   0.442   5.2796   3.7024  -0.9885

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
 AB9  C11  C21   single  1.532  0.020  1.532
 AB9  C11  O11   single  1.391  0.020  1.391
 AB9  C11  O51   single  1.396  0.020  1.396
 AB9  C11  H11   single  0.970  0.020  1.090
 AB9  C12  C22   single  1.524  0.020  1.524
 AB9  C12  N12   single  1.444  0.020  1.444
 AB9  C12  C62   single  1.529  0.020  1.529
 AB9  C12  H12   single  0.970  0.020  1.090
 AB9  C21  C31   single  1.523  0.020  1.523
 AB9  C21  N21   single  1.456  0.020  1.456
 AB9  C21  H21   single  0.970  0.020  1.090
 AB9  C22  C32   single  1.523  0.020  1.523
 AB9  C22  H221  single  0.970  0.020  1.090
 AB9  C22  H222  single  0.970  0.020  1.090
 AB9  C23  C24   single  1.524  0.020  1.524
 AB9  C23  N12   single  1.340  0.020  1.340
 AB9  C23  O36   double  1.223  0.020  1.223
 AB9  C24  C25   single  1.532  0.020  1.532
 AB9  C24  O28   single  1.400  0.020  1.400
 AB9  C24  H24   single  0.970  0.020  1.090
 AB9  C25  C26   single  1.519  0.020  1.519
 AB9  C25  H251  single  0.970  0.020  1.090
 AB9  C25  H252  single  0.970  0.020  1.090
 AB9  C26  N27   single  1.456  0.020  1.456
 AB9  C26  H261  single  0.970  0.020  1.090
 AB9  C26  H262  single  0.970  0.020  1.090
 AB9  C29  C30   single  1.514  0.020  1.514
 AB9  C29  O62   single  1.411  0.020  1.411
 AB9  C29  H291  single  0.970  0.020  1.090
 AB9  C29  H292  single  0.970  0.020  1.090
 AB9  C30  N31   single  1.447  0.020  1.447
 AB9  C30  H301  single  0.970  0.020  1.090
 AB9  C30  H302  single  0.970  0.020  1.090
 AB9  C31  O31   single  1.414  0.020  1.414
 AB9  C31  C41   single  1.530  0.020  1.530
 AB9  C31  H3    single  0.970  0.020  1.090
 AB9  C32  N32   single  1.453  0.020  1.453
 AB9  C32  C42   single  1.525  0.020  1.525
 AB9  C32  H32   single  0.970  0.020  1.090
 AB9  C33  C35   single  1.520  0.020  1.520
 AB9  C33  N34   single  1.455  0.020  1.455
 AB9  C33  H331  single  0.970  0.020  1.090
 AB9  C33  H332  single  0.970  0.020  1.090
 AB9  C35  N31   single  1.448  0.020  1.448
 AB9  C35  H351  single  0.970  0.020  1.090
 AB9  C35  H352  single  0.970  0.020  1.090
 AB9  O11  C42   single  1.416  0.020  1.416
 AB9  N21  H211  single  0.890  0.020  1.040
 AB9  N21  H212  single  0.890  0.020  1.040
 AB9  O31  H4    single  0.850  0.020  0.980
 AB9  C41  O41   single  1.409  0.020  1.409
 AB9  C41  C51   single  1.527  0.020  1.527
 AB9  C41  H41   single  0.970  0.020  1.090
 AB9  O41  H2    single  0.850  0.020  0.980
 AB9  C51  O51   single  1.421  0.020  1.421
 AB9  C51  C61   single  1.517  0.020  1.517
 AB9  C51  H51   single  0.970  0.020  1.090
 AB9  C61  N61   single  1.453  0.020  1.453
 AB9  C61  H611  single  0.970  0.020  1.090
 AB9  C61  H612  single  0.970  0.020  1.090
 AB9  N61  H11A  single  0.890  0.020  1.040
 AB9  N61  H12A  single  0.890  0.020  1.040
 AB9  N12  H5    single  0.860  0.020  1.020
 AB9  N32  H321  single  0.890  0.020  1.040
 AB9  N32  H322  single  0.890  0.020  1.040
 AB9  C42  C52   single  1.532  0.020  1.532
 AB9  C42  H42   single  0.970  0.020  1.090
 AB9  C52  O52   single  1.397  0.020  1.397
 AB9  C52  C62   single  1.525  0.020  1.525
 AB9  C52  H52   single  0.970  0.020  1.090
 AB9  O52  H1    single  0.850  0.020  0.980
 AB9  C62  O62   single  1.406  0.020  1.406
 AB9  C62  H62   single  0.970  0.020  1.090
 AB9  N31  H31   single  0.890  0.020  1.040
 AB9  N34  H341  single  0.890  0.020  1.040
 AB9  N34  H342  single  0.890  0.020  1.040
 AB9  N27  H271  single  0.890  0.020  1.040
 AB9  N27  H272  single  0.890  0.020  1.040
 AB9  O28  H28   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
 AB9  H11   C11  O51   105.84  3.000
 AB9  H11   C11  O11   110.83  3.000
 AB9  O51   C11  O11   111.17  3.000
 AB9  H11   C11  C21   109.98  3.000
 AB9  O51   C11  C21   109.92  3.000
 AB9  O11   C11  C21   109.07  3.000
 AB9  H12   C12  C62   109.01  3.000
 AB9  H12   C12  N12   107.16  3.000
 AB9  C62   C12  N12   109.64  3.000
 AB9  H12   C12  C22   109.13  3.000
 AB9  C62   C12  C22   110.00  3.000
 AB9  N12   C12  C22   111.81  3.000
 AB9  H21   C21  N21   111.33  3.000
 AB9  H21   C21  C31   107.70  3.000
 AB9  N21   C21  C31   111.86  3.000
 AB9  H21   C21  C11   106.64  3.000
 AB9  N21   C21  C11   110.15  3.000
 AB9  C31   C21  C11   108.98  3.000
 AB9  H222  C22  H221  106.82  3.000
 AB9  H222  C22  C32   109.42  3.000
 AB9  H221  C22  C32   109.59  3.000
 AB9  H222  C22  C12   109.67  3.000
 AB9  H221  C22  C12   109.29  3.000
 AB9  C32   C22  C12   111.92  3.000
 AB9  O36   C23  N12   124.52  3.000
 AB9  O36   C23  C24   120.84  3.000
 AB9  N12   C23  C24   114.49  3.000
 AB9  H24   C24  O28   106.43  3.000
 AB9  H24   C24  C25   109.12  3.000
 AB9  O28   C24  C25   113.39  3.000
 AB9  H24   C24  C23   109.49  3.000
 AB9  O28   C24  C23   111.55  3.000
 AB9  C25   C24  C23   106.83  3.000
 AB9  H252  C25  H251  105.75  3.000
 AB9  H252  C25  C26   110.28  3.000
 AB9  H251  C25  C26   108.56  3.000
 AB9  H252  C25  C24   108.86  3.000
 AB9  H251  C25  C24   109.51  3.000
 AB9  C26   C25  C24   113.59  3.000
 AB9  H262  C26  H261  106.55  3.000
 AB9  H262  C26  N27   108.03  3.000
 AB9  H261  C26  N27   113.64  3.000
 AB9  H262  C26  C25   108.74  3.000
 AB9  H261  C26  C25   109.77  3.000
 AB9  N27   C26  C25   109.94  3.000
 AB9  H292  C29  H291  106.76  3.000
 AB9  H292  C29  O62   110.63  3.000
 AB9  H291  C29  O62   111.03  3.000
 AB9  H292  C29  C30   110.14  3.000
 AB9  H291  C29  C30   107.75  3.000
 AB9  O62   C29  C30   110.43  3.000
 AB9  H302  C30  H301  105.92  3.000
 AB9  H302  C30  N31   113.12  3.000
 AB9  H301  C30  N31   108.52  3.000
 AB9  H302  C30  C29   107.10  3.000
 AB9  H301  C30  C29   108.36  3.000
 AB9  N31   C30  C29   113.46  3.000
 AB9  H3    C31  C41   108.97  3.000
 AB9  H3    C31  O31   110.19  3.000
 AB9  C41   C31  O31   110.75  3.000
 AB9  H3    C31  C21   109.09  3.000
 AB9  C41   C31  C21   109.28  3.000
 AB9  O31   C31  C21   108.53  3.000
 AB9  H32   C32  C42   107.62  3.000
 AB9  H32   C32  N32   112.73  3.000
 AB9  C42   C32  N32   110.34  3.000
 AB9  H32   C32  C22   107.76  3.000
 AB9  C42   C32  C22   109.30  3.000
 AB9  N32   C32  C22   109.01  3.000
 AB9  H332  C33  H331  106.40  3.000
 AB9  H332  C33  N34   108.78  3.000
 AB9  H331  C33  N34   113.61  3.000
 AB9  H332  C33  C35   108.66  3.000
 AB9  H331  C33  C35   108.74  3.000
 AB9  N34   C33  C35   110.48  3.000
 AB9  H352  C35  H351  106.09  3.000
 AB9  H352  C35  N31   112.77  3.000
 AB9  H351  C35  N31   108.85  3.000
 AB9  H352  C35  C33   109.10  3.000
 AB9  H351  C35  C33   108.91  3.000
 AB9  N31   C35  C33   110.94  3.000
 AB9  C42   O11  C11   120.22  3.000
 AB9  H212  N21  H211  105.32  3.000
 AB9  H212  N21  C21   109.46  3.000
 AB9  H211  N21  C21   109.27  3.000
 AB9  H4    O31  C31   108.93  3.000
 AB9  H41   C41  C51   108.40  3.000
 AB9  H41   C41  O41   110.81  3.000
 AB9  C51   C41  O41   107.76  3.000
 AB9  H41   C41  C31   107.82  3.000
 AB9  C51   C41  C31   110.54  3.000
 AB9  O41   C41  C31   111.47  3.000
 AB9  H2    O41  C41   108.41  3.000
 AB9  H51   C51  C61   107.48  3.000
 AB9  H51   C51  O51   110.08  3.000
 AB9  C61   C51  O51   106.72  3.000
 AB9  H51   C51  C41   109.04  3.000
 AB9  C61   C51  C41   113.61  3.000
 AB9  O51   C51  C41   109.85  3.000
 AB9  C51   O51  C11   114.93  3.000
 AB9  H612  C61  H611  106.69  3.000
 AB9  H612  C61  N61   114.07  3.000
 AB9  H611  C61  N61   108.36  3.000
 AB9  H612  C61  C51   109.29  3.000
 AB9  H611  C61  C51   107.98  3.000
 AB9  N61   C61  C51   110.21  3.000
 AB9  H12A  N61  H11A  105.99  3.000
 AB9  H12A  N61  C61   109.92  3.000
 AB9  H11A  N61  C61   109.60  3.000
 AB9  H5    N12  C23   117.83  3.000
 AB9  H5    N12  C12   117.12  3.000
 AB9  C23   N12  C12   124.70  3.000
 AB9  H322  N32  H321  105.38  3.000
 AB9  H322  N32  C32   111.03  3.000
 AB9  H321  N32  C32   108.95  3.000
 AB9  H42   C42  C52   109.08  3.000
 AB9  H42   C42  O11   109.95  3.000
 AB9  C52   C42  O11   106.88  3.000
 AB9  H42   C42  C32   108.33  3.000
 AB9  C52   C42  C32   112.35  3.000
 AB9  O11   C42  C32   110.23  3.000
 AB9  H52   C52  C62   107.64  3.000
 AB9  H52   C52  O52   111.29  3.000
 AB9  C62   C52  O52   107.93  3.000
 AB9  H52   C52  C42   107.36  3.000
 AB9  C62   C52  C42   110.80  3.000
 AB9  O52   C52  C42   111.76  3.000
 AB9  H1    O52  C52   110.30  3.000
 AB9  H62   C62  O62   110.46  3.000
 AB9  H62   C62  C52   107.89  3.000
 AB9  O62   C62  C52   110.20  3.000
 AB9  H62   C62  C12   107.86  3.000
 AB9  O62   C62  C12   110.23  3.000
 AB9  C52   C62  C12   110.15  3.000
 AB9  C62   O62  C29   115.09  3.000
 AB9  H31   N31  C35   108.48  3.000
 AB9  H31   N31  C30   110.21  3.000
 AB9  C35   N31  C30   112.75  3.000
 AB9  H342  N34  H341  105.48  3.000
 AB9  H342  N34  C33   109.24  3.000
 AB9  H341  N34  C33   109.30  3.000
 AB9  H272  N27  H271  105.66  3.000
 AB9  H272  N27  C26   109.76  3.000
 AB9  H271  N27  C26   109.40  3.000
 AB9  H28   O28  C24   107.70  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
 AB9  CONST_01  C24   C23  N12  C12   180.00   0.0  0
 AB9  CONST_02  O36   C23  N12  C12     0.00   0.0  0
 AB9  CONST_03  H5    N12  C23  C24     0.00   0.0  0
 AB9  Var_01    H11A  N61  C61  C51   169.67  30.0  3
 AB9  Var_02    H291  C29  O62  C62    43.30  30.0  1
 AB9  Var_03    N27   C26  C25  C24   176.11  30.0  3
 AB9  Var_04    C35   N31  C30  C29  -174.28  30.0  3
 AB9  Var_05    C33   C35  N31  C30   177.13  30.0  2
 AB9  Var_06    N31   C30  C29  O62    63.95  30.0  3
 AB9  Var_07    N34   C33  C35  N31  -179.25  30.0  1
 AB9  Var_08    H271  N27  C26  C25    69.53  30.0  3
 AB9  Var_09    H341  N34  C33  C35   178.04  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
 AB9  chir_01  C11  C21  O11  O51  negativ
 AB9  chir_02  C12  N12  C22  C62  positiv
 AB9  chir_03  C21  N21  C11  C31  negativ
 AB9  chir_04  C24  C23  C25  O28  negativ
 AB9  chir_05  C31  C21  O31  C41  negativ
 AB9  chir_06  C32  N32  C22  C42  negativ
 AB9  chir_07  C41  O41  C31  C51  negativ
 AB9  chir_08  C51  O51  C41  C61  negativ
 AB9  chir_09  C42  O11  C32  C52  positiv
 AB9  chir_10  C52  O52  C62  C42  positiv
 AB9  chir_11  C62  O62  C12  C52  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
 AB9  plan-1  C12  0.020
 AB9  plan-1  C23  0.020
 AB9  plan-1  C24  0.020
 AB9  plan-1  N12  0.020
 AB9  plan-1  O36  0.020
 AB9  plan-1  H5   0.020

