# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr 25 12:02:38 2020
#   Inital geometry file: a 158 line input string
#   Ligand name: [(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]oxy}tetrahydrofuran-2-yl]methyl decanoate (non-preferred name)
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCCCCCCCC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@@H](OC)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
#
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
 DSU  DSU  '[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]oxy}tetrahydrofuran-2-yl]methyl decanoate (non-preferred name)'  ligand  74  34  .  2021-08-08  2021-08-08  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_DSU
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
 DSU  O1N   O  O     0  -0.455   2.3958  -0.9531  -1.9837
 DSU  C1N   C  C     0   0.602   2.4758  -0.5511  -0.8494
 DSU  C2N   C  CH2   0  -0.572   3.6132   0.2705  -0.3076
 DSU  C3N   C  CH2   0  -0.421   4.9655  -0.1412  -0.8804
 DSU  C4N   C  CH2   0  -0.416   6.1075   0.6507  -0.2573
 DSU  C5N   C  CH2   0  -0.413   7.4778   0.2175  -0.7625
 DSU  C6N   C  CH2   0  -0.412   8.6230   0.9717  -0.0992
 DSU  C7N   C  CH2   0  -0.412   9.9988   0.5262  -0.5783
 DSU  C8N   C  CH2   0  -0.407  11.1407   1.2654   0.1071
 DSU  C9N   C  CH2   0  -0.418  12.5199   0.8178  -0.3615
 DSU  C10   C  CH3   0  -0.663  13.6516   1.5588   0.3367
 DSU  O6'   O  O2    0  -0.460   1.5487  -0.7883   0.0730
 DSU  C6'   C  CH2   0  -0.176   0.4184  -1.5798  -0.2950
 DSU  C5'   C  CR15  0  -0.023  -0.3516  -1.8929   0.9628
 DSU  O2'   O  O     0  -0.497  -0.9031  -0.7092   1.5407
 DSU  C4'   C  CR15  0  -0.035  -1.5326  -2.8410   0.7102
 DSU  O4'   O  OH1   0  -0.662  -1.2583  -4.1860   0.9932
 DSU  C3'   C  CR15  0  -0.000  -2.5658  -2.2858   1.6773
 DSU  O3'   O  OH1   0  -0.665  -3.8954  -2.6226   1.3984
 DSU  C2'   C  CR5   0   0.426  -2.2922  -0.7775   1.5802
 DSU  C1'   C  CH2   0  -0.180  -2.7962   0.0102   2.7790
 DSU  O1'   O  OH1   0  -0.660  -2.3447   1.3334   2.6899
 DSU  O1    O  O2    0  -0.505  -2.7213  -0.2565   0.3348
 DSU  C1    C  CH1   0   0.265  -4.0564   0.0330   0.1073
 DSU  O5    O  O2    0  -0.497  -4.1986   1.4296   0.1354
 DSU  C5    C  CH1   0   0.304  -5.5362   1.8471  -0.0057
 DSU  O6    O  O2    0  -0.498  -5.5751   3.2186   0.1151
 DSU  C6    C  CH3   0  -0.409  -5.2777   3.7042   1.4108
 DSU  C4    C  CH1   0  -0.036  -6.0730   1.4565  -1.3812
 DSU  O4    O  OH1   0  -0.670  -5.3812   2.0994  -2.4208
 DSU  C3    C  CH1   0  -0.054  -5.8964  -0.0536  -1.5793
 DSU  O3    O  OH1   0  -0.671  -6.7315  -0.7720  -0.7005
 DSU  C2    C  CH1   0   0.013  -4.4538  -0.4728  -1.2840
 DSU  O2    O  OH1   0  -0.674  -4.2713  -1.8541  -1.4430
 DSU  H2N1  H  HCH2  0   0.258   3.6260   0.2094   0.7819
 DSU  H2N2  H  HCH2  0   0.278   3.4090   1.3182  -0.5542
 DSU  H3N1  H  HCH2  0   0.228   4.9697  -0.0055  -1.9644
 DSU  H3N2  H  HCH2  0   0.226   5.1265  -1.2083  -0.6996
 DSU  H4N1  H  HCH2  0   0.212   6.0729   0.5361   0.8317
 DSU  H4N2  H  HCH2  0   0.214   5.9661   1.7188  -0.4542
 DSU  H5N1  H  HCH2  0   0.210   7.5293   0.3556  -1.8481
 DSU  H5N2  H  HCH2  0   0.209   7.6021  -0.8569  -0.5878
 DSU  H6N1  H  HCH2  0   0.207   8.5585   0.8403   0.9868
 DSU  H6N2  H  HCH2  0   0.208   8.5060   2.0460  -0.2800
 DSU  H7N1  H  HCH2  0   0.207  10.0714   0.6693  -1.6623
 DSU  H7N2  H  HCH2  0   0.206  10.1094  -0.5506  -0.4081
 DSU  H8N1  H  HCH2  0   0.206  11.0638   1.1244   1.1912
 DSU  H8N2  H  HCH2  0   0.206  11.0324   2.3422  -0.0645
 DSU  H9N1  H  HCH2  0   0.210  12.5986   0.9627  -1.4435
 DSU  H9N2  H  HCH2  0   0.210  12.6261  -0.2584  -0.1927
 DSU  H101  H  HCH3  0   0.226  14.6284   1.2235  -0.0133
 DSU  H102  H  HCH3  0   0.216  13.5879   2.6340   0.1580
 DSU  H103  H  HCH3  0   0.216  13.6162   1.4043   1.4168
 DSU  H6'1  H  HCH2  0   0.244  -0.2080  -1.0430  -1.0122
 DSU  H6'2  H  HCH2  0   0.244   0.7449  -2.5151  -0.7581
 DSU  H5'   H  HCR5  0   0.250   0.3199  -2.3521   1.6972
 DSU  H4'   H  HCR5  0   0.241  -1.9078  -2.7243  -0.3144
 DSU  H7    H  HOH1  0   0.462  -0.8894  -4.6001   0.2077
 DSU  H3'   H  HCR5  0   0.247  -2.2930  -2.6087   2.6930
 DSU  H6    H  HOH1  0   0.472  -4.0264  -3.5538   1.6065
 DSU  H1'1  H  HCH2  0   0.218  -3.8897  -0.0573   2.8257
 DSU  H1'2  H  HCH2  0   0.220  -2.4201  -0.4913   3.6807
 DSU  H1'   H  HOH1  0   0.460  -2.8702   1.8715   3.2872
 DSU  H1    H  HCH1  0   0.211  -4.7084  -0.4142   0.8704
 DSU  H5    H  HCH1  0   0.189  -6.1570   1.3660   0.7722
 DSU  H61   H  HCH3  0   0.220  -4.2350   3.5344   1.6867
 DSU  H62   H  HCH3  0   0.240  -5.4694   4.7753   1.4077
 DSU  H63   H  HCH3  0   0.212  -5.9170   3.2370   2.1667
 DSU  H4    H  HCH1  0   0.231  -7.1480   1.6933  -1.4113
 DSU  HO4   H  HOH1  0   0.454  -5.4405   3.0513  -2.2893
 DSU  H3    H  HCH1  0   0.244  -6.1263  -0.2962  -2.6261
 DSU  HO3   H  HOH1  0   0.459  -7.6477  -0.6264  -0.9565
 DSU  H2    H  HCH1  0   0.243  -3.8048   0.0229  -2.0132
 DSU  HO2   H  HOH1  0   0.443  -4.4817  -2.2996  -0.6123

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
 DSU  O1N  C1N   double  1.206  0.020  1.206
 DSU  C1N  C2N   single  1.504  0.020  1.504
 DSU  C1N  O6'   single  1.329  0.020  1.329
 DSU  C2N  C3N   single  1.525  0.020  1.525
 DSU  C2N  H2N1  single  0.970  0.020  1.090
 DSU  C2N  H2N2  single  0.970  0.020  1.090
 DSU  C3N  C4N   single  1.523  0.020  1.523
 DSU  C3N  H3N1  single  0.970  0.020  1.090
 DSU  C3N  H3N2  single  0.970  0.020  1.090
 DSU  C4N  C5N   single  1.523  0.020  1.523
 DSU  C4N  H4N1  single  0.970  0.020  1.090
 DSU  C4N  H4N2  single  0.970  0.020  1.090
 DSU  C5N  C6N   single  1.523  0.020  1.523
 DSU  C5N  H5N1  single  0.970  0.020  1.090
 DSU  C5N  H5N2  single  0.970  0.020  1.090
 DSU  C6N  C7N   single  1.524  0.020  1.524
 DSU  C6N  H6N1  single  0.970  0.020  1.090
 DSU  C6N  H6N2  single  0.970  0.020  1.090
 DSU  C7N  C8N   single  1.523  0.020  1.523
 DSU  C7N  H7N1  single  0.970  0.020  1.090
 DSU  C7N  H7N2  single  0.970  0.020  1.090
 DSU  C8N  C9N   single  1.524  0.020  1.524
 DSU  C8N  H8N1  single  0.970  0.020  1.090
 DSU  C8N  H8N2  single  0.970  0.020  1.090
 DSU  C9N  C10   single  1.522  0.020  1.522
 DSU  C9N  H9N1  single  0.970  0.020  1.090
 DSU  C9N  H9N2  single  0.970  0.020  1.090
 DSU  C10  H101  single  0.970  0.020  1.090
 DSU  C10  H102  single  0.970  0.020  1.090
 DSU  C10  H103  single  0.970  0.020  1.090
 DSU  O6'  C6'   single  1.428  0.020  1.428
 DSU  C6'  C5'   single  1.508  0.020  1.508
 DSU  C6'  H6'1  single  0.970  0.020  1.090
 DSU  C6'  H6'2  single  0.970  0.020  1.090
 DSU  C5'  O2'   single  1.428  0.020  1.428
 DSU  C5'  C4'   single  1.535  0.020  1.535
 DSU  C5'  H5'   single  0.970  0.020  1.090
 DSU  O2'  C2'   single  1.391  0.020  1.391
 DSU  C4'  O4'   single  1.402  0.020  1.402
 DSU  C4'  C3'   single  1.520  0.020  1.520
 DSU  C4'  H4'   single  0.970  0.020  1.090
 DSU  O4'  H7    single  0.850  0.020  0.980
 DSU  C3'  O3'   single  1.400  0.020  1.400
 DSU  C3'  C2'   single  1.536  0.020  1.536
 DSU  C3'  H3'   single  0.970  0.020  1.090
 DSU  O3'  H6    single  0.850  0.020  0.980
 DSU  C2'  C1'   single  1.520  0.020  1.520
 DSU  C2'  O1    single  1.417  0.020  1.417
 DSU  C1'  O1'   single  1.401  0.020  1.401
 DSU  C1'  H1'1  single  0.970  0.020  1.090
 DSU  C1'  H1'2  single  0.970  0.020  1.090
 DSU  O1'  H1'   single  0.850  0.020  0.980
 DSU  O1   C1    single  1.385  0.020  1.385
 DSU  C1   O5    single  1.404  0.020  1.404
 DSU  C1   C2    single  1.533  0.020  1.533
 DSU  C1   H1    single  0.970  0.020  1.090
 DSU  O5   C5    single  1.408  0.020  1.408
 DSU  C5   O6    single  1.377  0.020  1.377
 DSU  C5   C4    single  1.527  0.020  1.527
 DSU  C5   H5    single  0.970  0.020  1.090
 DSU  O6   C6    single  1.415  0.020  1.415
 DSU  C6   H61   single  0.970  0.020  1.090
 DSU  C6   H62   single  0.970  0.020  1.090
 DSU  C6   H63   single  0.970  0.020  1.090
 DSU  C4   O4    single  1.404  0.020  1.404
 DSU  C4   C3    single  1.533  0.020  1.533
 DSU  C4   H4    single  0.970  0.020  1.090
 DSU  O4   HO4   single  0.850  0.020  0.980
 DSU  C3   O3    single  1.409  0.020  1.409
 DSU  C3   C2    single  1.531  0.020  1.531
 DSU  C3   H3    single  0.970  0.020  1.090
 DSU  O3   HO3   single  0.850  0.020  0.980
 DSU  C2   O2    single  1.402  0.020  1.402
 DSU  C2   H2    single  0.970  0.020  1.090
 DSU  O2   HO2   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
 DSU  O6'   C1N  C2N   112.02  3.000
 DSU  O6'   C1N  O1N   123.16  3.000
 DSU  C2N   C1N  O1N   124.82  3.000
 DSU  H2N2  C2N  H2N1  106.29  3.000
 DSU  H2N2  C2N  C3N   109.81  3.000
 DSU  H2N1  C2N  C3N   110.46  3.000
 DSU  H2N2  C2N  C1N   107.47  3.000
 DSU  H2N1  C2N  C1N   109.75  3.000
 DSU  C3N   C2N  C1N   112.82  3.000
 DSU  H3N2  C3N  H3N1  106.53  3.000
 DSU  H3N2  C3N  C4N   109.22  3.000
 DSU  H3N1  C3N  C4N   109.79  3.000
 DSU  H3N2  C3N  C2N   109.37  3.000
 DSU  H3N1  C3N  C2N   110.03  3.000
 DSU  C4N   C3N  C2N   111.77  3.000
 DSU  H4N2  C4N  H4N1  106.06  3.000
 DSU  H4N2  C4N  C5N   109.50  3.000
 DSU  H4N1  C4N  C5N   109.17  3.000
 DSU  H4N2  C4N  C3N   109.67  3.000
 DSU  H4N1  C4N  C3N   109.18  3.000
 DSU  C5N   C4N  C3N   113.01  3.000
 DSU  H5N2  C5N  H5N1  106.04  3.000
 DSU  H5N2  C5N  C6N   109.32  3.000
 DSU  H5N1  C5N  C6N   109.50  3.000
 DSU  H5N2  C5N  C4N   109.15  3.000
 DSU  H5N1  C5N  C4N   109.58  3.000
 DSU  C6N   C5N  C4N   113.02  3.000
 DSU  H6N2  C6N  H6N1  105.96  3.000
 DSU  H6N2  C6N  C7N   109.34  3.000
 DSU  H6N1  C6N  C7N   109.25  3.000
 DSU  H6N2  C6N  C5N   109.47  3.000
 DSU  H6N1  C6N  C5N   109.15  3.000
 DSU  C7N   C6N  C5N   113.40  3.000
 DSU  H7N2  C7N  H7N1  105.98  3.000
 DSU  H7N2  C7N  C8N   109.35  3.000
 DSU  H7N1  C7N  C8N   109.39  3.000
 DSU  H7N2  C7N  C6N   109.25  3.000
 DSU  H7N1  C7N  C6N   109.44  3.000
 DSU  C8N   C7N  C6N   113.18  3.000
 DSU  H8N2  C8N  H8N1  105.92  3.000
 DSU  H8N2  C8N  C9N   109.27  3.000
 DSU  H8N1  C8N  C9N   109.27  3.000
 DSU  H8N2  C8N  C7N   109.41  3.000
 DSU  H8N1  C8N  C7N   109.27  3.000
 DSU  C9N   C8N  C7N   113.43  3.000
 DSU  H9N2  C9N  H9N1  106.00  3.000
 DSU  H9N2  C9N  C10   109.62  3.000
 DSU  H9N1  C9N  C10   109.60  3.000
 DSU  H9N2  C9N  C8N   109.23  3.000
 DSU  H9N1  C9N  C8N   109.28  3.000
 DSU  C10   C9N  C8N   112.88  3.000
 DSU  H103  C10  H102  107.42  3.000
 DSU  H103  C10  H101  107.64  3.000
 DSU  H102  C10  H101  107.61  3.000
 DSU  H103  C10  C9N   111.15  3.000
 DSU  H102  C10  C9N   111.16  3.000
 DSU  H101  C10  C9N   111.66  3.000
 DSU  C6'   O6'  C1N   118.17  3.000
 DSU  H6'2  C6'  H6'1  108.26  3.000
 DSU  H6'2  C6'  C5'   109.16  3.000
 DSU  H6'1  C6'  C5'   110.89  3.000
 DSU  H6'2  C6'  O6'   110.30  3.000
 DSU  H6'1  C6'  O6'   110.51  3.000
 DSU  C5'   C6'  O6'   107.72  3.000
 DSU  H5'   C5'  C4'   108.84  3.000
 DSU  H5'   C5'  O2'   108.22  3.000
 DSU  C4'   C5'  O2'   106.34  3.000
 DSU  H5'   C5'  C6'   109.46  3.000
 DSU  C4'   C5'  C6'   112.57  3.000
 DSU  O2'   C5'  C6'   111.27  3.000
 DSU  C2'   O2'  C5'   110.88  3.000
 DSU  H4'   C4'  C3'   108.83  3.000
 DSU  H4'   C4'  O4'   110.95  3.000
 DSU  C3'   C4'  O4'   110.79  3.000
 DSU  H4'   C4'  C5'   110.54  3.000
 DSU  C3'   C4'  C5'   101.11  3.000
 DSU  O4'   C4'  C5'   114.13  3.000
 DSU  H7    O4'  C4'   108.87  3.000
 DSU  H3'   C3'  C2'   107.60  3.000
 DSU  H3'   C3'  O3'   110.42  3.000
 DSU  C2'   C3'  O3'   113.14  3.000
 DSU  H3'   C3'  C4'   108.16  3.000
 DSU  C2'   C3'  C4'   101.38  3.000
 DSU  O3'   C3'  C4'   115.53  3.000
 DSU  H6    O3'  C3'   108.59  3.000
 DSU  O1    C2'  C1'   113.72  3.000
 DSU  O1    C2'  C3'   111.27  3.000
 DSU  C1'   C2'  C3'   113.57  3.000
 DSU  O1    C2'  O2'   105.04  3.000
 DSU  C1'   C2'  O2'   109.14  3.000
 DSU  C3'   C2'  O2'   103.17  3.000
 DSU  H1'2  C1'  H1'1  106.17  3.000
 DSU  H1'2  C1'  O1'   111.91  3.000
 DSU  H1'1  C1'  O1'   112.47  3.000
 DSU  H1'2  C1'  C2'   107.29  3.000
 DSU  H1'1  C1'  C2'   109.41  3.000
 DSU  O1'   C1'  C2'   109.41  3.000
 DSU  H1'   O1'  C1'   108.26  3.000
 DSU  C1    O1   C2'   120.89  3.000
 DSU  H1    C1   C2    110.01  3.000
 DSU  H1    C1   O5    109.32  3.000
 DSU  C2    C1   O5    108.67  3.000
 DSU  H1    C1   O1    111.89  3.000
 DSU  C2    C1   O1    109.28  3.000
 DSU  O5    C1   O1    107.59  3.000
 DSU  C5    O5   C1    112.89  3.000
 DSU  H5    C5   C4    108.97  3.000
 DSU  H5    C5   O6    110.84  3.000
 DSU  C4    C5   O6    108.89  3.000
 DSU  H5    C5   O5    109.50  3.000
 DSU  C4    C5   O5    110.38  3.000
 DSU  O6    C5   O5    108.25  3.000
 DSU  C6    O6   C5    114.58  3.000
 DSU  H63   C6   H62   108.61  3.000
 DSU  H63   C6   H61   108.47  3.000
 DSU  H62   C6   H61   108.79  3.000
 DSU  H63   C6   O6    111.28  3.000
 DSU  H62   C6   O6    107.34  3.000
 DSU  H61   C6   O6    112.25  3.000
 DSU  H4    C4   C3    108.71  3.000
 DSU  H4    C4   O4    111.23  3.000
 DSU  C3    C4   O4    107.37  3.000
 DSU  H4    C4   C5    108.22  3.000
 DSU  C3    C4   C5    109.13  3.000
 DSU  O4    C4   C5    112.12  3.000
 DSU  HO4   O4   C4    108.73  3.000
 DSU  H3    C3   C2    108.69  3.000
 DSU  H3    C3   O3    110.95  3.000
 DSU  C2    C3   O3    107.36  3.000
 DSU  H3    C3   C4    108.45  3.000
 DSU  C2    C3   C4    110.68  3.000
 DSU  O3    C3   C4    110.69  3.000
 DSU  HO3   O3   C3    108.73  3.000
 DSU  H2    C2   O2    107.05  3.000
 DSU  H2    C2   C3    107.83  3.000
 DSU  O2    C2   C3    111.74  3.000
 DSU  H2    C2   C1    107.54  3.000
 DSU  O2    C2   C1    113.22  3.000
 DSU  C3    C2   C1    109.21  3.000
 DSU  HO2   O2   C2    109.17  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
 DSU  Var_01  C5'   C6'  O6'  C1N   170.67  30.0  3
 DSU  Var_02  H61   C6   O6   C5     67.86  30.0  3
 DSU  Var_03  C3N   C2N  C1N  O1N   -36.81  30.0  3
 DSU  Var_04  C4N   C3N  C2N  C1N  -176.73  30.0  3
 DSU  Var_05  C5N   C4N  C3N  C2N   177.35  30.0  3
 DSU  Var_06  C6N   C5N  C4N  C3N  -177.74  30.0  3
 DSU  Var_07  C7N   C6N  C5N  C4N   178.87  30.0  3
 DSU  Var_08  C8N   C7N  C6N  C5N  -178.93  30.0  3
 DSU  Var_09  C9N   C8N  C7N  C6N   179.63  30.0  3
 DSU  Var_10  C10   C9N  C8N  C7N  -179.69  30.0  3
 DSU  Var_11  H101  C10  C9N  C8N  -179.99  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
 DSU  chir_01  C5'  C6'  O2'  C4'  negativ
 DSU  chir_02  C4'  O4'  C5'  C3'  positiv
 DSU  chir_03  C3'  O3'  C4'  C2'  negativ
 DSU  chir_04  C2'  O2'  C1'  C3'  positiv
 DSU  chir_05  C1   O1   O5   C2   negativ
 DSU  chir_06  C5   O5   O6   C4   negativ
 DSU  chir_07  C4   O4   C5   C3   positiv
 DSU  chir_08  C3   O3   C2   C4   positiv
 DSU  chir_09  C2   O2   C3   C1   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
 DSU  plan-1  O1N  0.020
 DSU  plan-1  C1N  0.020
 DSU  plan-1  C2N  0.020
 DSU  plan-1  O6'  0.020

