data_3TD
#
_chem_comp.id 3TD
_chem_comp.name (1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
_chem_comp.type "RNA LINKING"
_chem_comp.pdbx_type ATOMN
_chem_comp.formula "C10 H15 N2 O9 P"
_chem_comp.mon_nstd_parent_comp_id U
_chem_comp.pdbx_synonyms ?
_chem_comp.pdbx_formal_charge 0
_chem_comp.pdbx_initial_date 2011-01-18
_chem_comp.pdbx_modified_date 2011-12-14
_chem_comp.pdbx_ambiguous_flag N
_chem_comp.pdbx_release_status REL
_chem_comp.pdbx_replaced_by ?
_chem_comp.pdbx_replaces ?
_chem_comp.formula_weight 338.208
_chem_comp.one_letter_code ?
_chem_comp.three_letter_code 3TD
_chem_comp.pdbx_model_coordinates_details ?
_chem_comp.pdbx_model_coordinates_missing_flag N
_chem_comp.pdbx_ideal_coordinates_details Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag N
_chem_comp.pdbx_model_coordinates_db_code 3IZT
_chem_comp.pdbx_subcomponent_list ?
_chem_comp.pdbx_processing_site RCSB
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.alt_atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.charge
_chem_comp_atom.pdbx_align
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_leaving_atom_flag
_chem_comp_atom.pdbx_stereo_config
_chem_comp_atom.pdbx_backbone_atom_flag
_chem_comp_atom.pdbx_n_terminal_atom_flag
_chem_comp_atom.pdbx_c_terminal_atom_flag
_chem_comp_atom.model_Cartn_x
_chem_comp_atom.model_Cartn_y
_chem_comp_atom.model_Cartn_z
_chem_comp_atom.pdbx_model_Cartn_x_ideal
_chem_comp_atom.pdbx_model_Cartn_y_ideal
_chem_comp_atom.pdbx_model_Cartn_z_ideal
_chem_comp_atom.pdbx_component_atom_id
_chem_comp_atom.pdbx_component_comp_id
_chem_comp_atom.pdbx_ordinal
3TD P P P 0 1 N N N N N N -0.106 0.017 -0.147 4.263 -1.099 -0.157 P 3TD 1
3TD N1 N1 N 0 1 N N N N N N 5.169 0.693 5.003 -4.373 -0.595 -1.385 N1 3TD 2
3TD C2 C2 C 0 1 N N N N N N 6.482 0.820 5.302 -4.459 -1.339 -0.266 C2 3TD 3
3TD O2 O2 O 0 1 N N N N N N 6.745 1.369 6.398 -5.427 -2.054 -0.095 O2 3TD 4
3TD N3 N3 N 0 1 N N N N N N 7.452 0.374 4.438 -3.488 -1.302 0.665 N3 3TD 5
3TD C4 C4 C 0 1 N N N N N N 7.064 -0.184 3.239 -2.408 -0.515 0.490 C4 3TD 6
3TD O4 O4 O 0 1 N N N N N N 7.926 -0.582 2.418 -1.528 -0.481 1.332 O4 3TD 7
3TD C5 C5 C 0 1 N N N N N N 5.694 -0.330 2.897 -2.305 0.273 -0.682 C5 3TD 8
3TD C6 C6 C 0 1 N N N N N N 4.759 0.133 3.844 -3.294 0.217 -1.600 C6 3TD 9
3TD "C1'" "C1'" C 0 1 N N S N N N 5.237 -0.968 1.625 -1.108 1.162 -0.902 "C1'" 3TD 10
3TD C10 C10 C 0 1 N N N N N N 8.853 0.516 4.782 -3.605 -2.121 1.874 C10 3TD 11
3TD "C2'" "C2'" C 0 1 N N R N N N 5.038 -2.488 1.767 -1.078 2.274 0.164 "C2'" 3TD 12
3TD "O2'" "O2'" O 0 1 N N N N N N 6.269 -3.208 1.718 -1.145 3.561 -0.453 "O2'" 3TD 13
3TD "C3'" "C3'" C 0 1 N N S N N N 4.090 -2.826 0.604 0.284 2.082 0.874 "C3'" 3TD 14
3TD "O3'" "O3'" O 0 1 N N N N N N 4.789 -3.371 -0.517 0.904 3.343 1.136 "O3'" 3TD 15
3TD "C4'" "C4'" C 0 1 N N R N N N 3.441 -1.459 0.246 1.089 1.279 -0.179 "C4'" 3TD 16
3TD "O4'" "O4'" O 0 1 N N N N N N 3.950 -0.502 1.189 0.101 0.399 -0.758 "O4'" 3TD 17
3TD "C5'" "C5'" C 0 1 N N N N N N 1.894 -1.492 0.280 2.201 0.472 0.493 "C5'" 3TD 18
3TD "O5'" "O5'" O 0 1 N N N N N N 1.380 -0.299 -0.044 2.999 -0.166 -0.507 "O5'" 3TD 19
3TD OP1 OP1 O 0 1 N N N N N N -0.722 -0.855 -1.217 5.410 -0.210 0.540 OP1 3TD 20
3TD OP2 OP2 O 0 1 N N N N N N -0.768 -0.240 1.149 3.841 -2.174 0.768 OP2 3TD 21
3TD HN1 HN1 H 0 1 N N N N N N 4.486 1.021 5.655 -5.082 -0.639 -2.046 HN1 3TD 22
3TD H6 H6 H 0 1 N N N N N N 3.702 0.039 3.641 -3.232 0.810 -2.500 H6 3TD 23
3TD "H1'" "H1'" H 0 1 N N N N N N 5.987 -0.785 0.841 -1.153 1.604 -1.898 "H1'" 3TD 24
3TD H10 H10 H 0 1 N N N N N N 9.473 0.104 3.973 -4.537 -2.686 1.841 H10 3TD 25
3TD H10A H10A H 0 0 N N N N N N 9.090 1.581 4.920 -2.763 -2.811 1.929 H10A 3TD 26
3TD H10B H10B H 0 0 N N N N N N 9.058 -0.029 5.715 -3.603 -1.475 2.752 H10B 3TD 27
3TD "H2'" "H2'" H 0 1 N N N N N N 4.518 -2.688 2.715 -1.899 2.147 0.870 "H2'" 3TD 28
3TD "HO2'" "HO2'" H 0 0 N N N N N N 6.096 -4.138 1.809 -1.129 4.298 0.173 "HO2'" 3TD 29
3TD "H3'" "H3'" H 0 1 N N N N N N 3.310 -3.517 0.956 0.167 1.510 1.794 "H3'" 3TD 30
3TD "HO3'" "HO3'" H 0 0 N Y N N N N 4.171 -3.566 -1.212 0.392 3.919 1.720 "HO3'" 3TD 31
3TD "H4'" "H4'" H 0 1 N N N N N N 3.758 -1.184 -0.771 1.500 1.945 -0.938 "H4'" 3TD 32
3TD "H5'" "H5'" H 0 1 N N N N N N 1.535 -2.245 -0.437 2.827 1.140 1.085 "H5'" 3TD 33
3TD "H5'A" "H5'A" H 0 0 N N N N N N 1.562 -1.763 1.293 1.760 -0.284 1.143 "H5'A" 3TD 34
3TD O9 O9 O 0 1 N Y N N N N -0.287 1.468 -0.527 4.839 -1.751 -1.512 O9 3TD 35
3TD H14 H14 H 0 1 N N N N N N -1.408 -1.389 -0.835 5.734 0.516 -0.010 H14 3TD 36
3TD H15 H15 H 0 1 N N N N N N -0.789 1.912 0.147 5.604 -2.327 -1.376 H15 3TD 37
#
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_ordinal
3TD P "O5'" SING N N 1
3TD P OP1 SING N N 2
3TD P OP2 DOUB N N 3
3TD N1 C2 SING N N 4
3TD N1 C6 SING N N 5
3TD N1 HN1 SING N N 6
3TD C2 O2 DOUB N N 7
3TD C2 N3 SING N N 8
3TD N3 C4 SING N N 9
3TD N3 C10 SING N N 10
3TD C4 O4 DOUB N N 11
3TD C4 C5 SING N N 12
3TD C5 C6 DOUB N N 13
3TD C5 "C1'" SING N N 14
3TD C6 H6 SING N N 15
3TD "C1'" "C2'" SING N N 16
3TD "C1'" "O4'" SING N N 17
3TD "C1'" "H1'" SING N N 18
3TD C10 H10 SING N N 19
3TD C10 H10A SING N N 20
3TD C10 H10B SING N N 21
3TD "C2'" "O2'" SING N N 22
3TD "C2'" "C3'" SING N N 23
3TD "C2'" "H2'" SING N N 24
3TD "O2'" "HO2'" SING N N 25
3TD "C3'" "O3'" SING N N 26
3TD "C3'" "C4'" SING N N 27
3TD "C3'" "H3'" SING N N 28
3TD "O3'" "HO3'" SING N N 29
3TD "C4'" "O4'" SING N N 30
3TD "C4'" "C5'" SING N N 31
3TD "C4'" "H4'" SING N N 32
3TD "C5'" "O5'" SING N N 33
3TD "C5'" "H5'" SING N N 34
3TD "C5'" "H5'A" SING N N 35
3TD P O9 SING N N 36
3TD OP1 H14 SING N N 37
3TD O9 H15 SING N N 38
#
loop_
_pdbx_chem_comp_descriptor.comp_id
_pdbx_chem_comp_descriptor.type
_pdbx_chem_comp_descriptor.program
_pdbx_chem_comp_descriptor.program_version
_pdbx_chem_comp_descriptor.descriptor
3TD SMILES ACDLabs 12.01 O=C1NC=C(C(=O)N1C)C2OC(COP(=O)(O)O)C(O)C2O
3TD InChI InChI 1.03 InChI=1S/C10H15N2O9P/c1-12-9(15)4(2-11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1
3TD InChIKey InChI 1.03 XBPGZENOIJPXSD-XUTVFYLZSA-N
3TD SMILES_CANONICAL CACTVS 3.370 CN1C(=O)NC=C([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O
3TD SMILES CACTVS 3.370 CN1C(=O)NC=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
3TD SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 CN1C(=O)C(=CNC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
3TD SMILES "OpenEye OEToolkits" 1.7.6 CN1C(=O)C(=CNC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
#
loop_
_pdbx_chem_comp_identifier.comp_id
_pdbx_chem_comp_identifier.type
_pdbx_chem_comp_identifier.program
_pdbx_chem_comp_identifier.program_version
_pdbx_chem_comp_identifier.identifier
3TD "SYSTEMATIC NAME" ACDLabs 12.01 (1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
3TD "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "[(2R,3S,4R,5S)-5-[3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate"
#
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
3TD 'Create component' 2011-01-18 RCSB
3TD 'Modify descriptor' 2011-06-04 RCSB
3TD 'Modify leaving atom flag' 2011-12-14 RCSB
#
loop_
_software.name
_software.version
_software.description
rdkit 2023.09.6 'Core functionality.'
pdbeccdutils 0.8.6 'Wrapper to provide 2D templates and molecular fragments.'
#
loop_
_pdbe_chem_comp_atom_depiction.comp_id
_pdbe_chem_comp_atom_depiction.atom_id
_pdbe_chem_comp_atom_depiction.element
_pdbe_chem_comp_atom_depiction.model_Cartn_x
_pdbe_chem_comp_atom_depiction.model_Cartn_y
_pdbe_chem_comp_atom_depiction.pdbx_ordinal
3TD P P 4.870 -0.632 1
3TD N1 N 14.735 -0.203 2
3TD C2 C 14.735 -1.702 3
3TD O2 O 16.034 -2.453 4
3TD N3 N 13.436 -2.453 5
3TD C4 C 12.137 -1.702 6
3TD O4 O 10.838 -2.453 7
3TD C5 C 12.137 -0.203 8
3TD C6 C 13.436 0.547 9
3TD "C1'" C 10.838 0.547 10
3TD C10 C 13.436 -3.953 11
3TD "C2'" C 10.681 2.039 12
3TD "O2'" O 11.796 3.043 13
3TD "C3'" C 9.214 2.351 14
3TD "O3'" O 8.604 3.721 15
3TD "C4'" C 8.464 1.052 16
3TD "O4'" O 9.467 -0.063 17
3TD "C5'" C 6.972 0.895 18
3TD "O5'" O 6.362 -0.475 19
3TD OP1 O 3.378 -0.789 20
3TD OP2 O 5.027 -2.124 21
3TD O9 O 4.713 0.860 22
#
loop_
_pdbe_chem_comp_bond_depiction.comp_id
_pdbe_chem_comp_bond_depiction.atom_id_1
_pdbe_chem_comp_bond_depiction.atom_id_2
_pdbe_chem_comp_bond_depiction.value_order
_pdbe_chem_comp_bond_depiction.bond_dir
_pdbe_chem_comp_bond_depiction.pdbx_ordinal
3TD P "O5'" SINGLE NONE 1
3TD P OP1 SINGLE NONE 2
3TD P OP2 DOUBLE NONE 3
3TD N1 C2 SINGLE NONE 4
3TD N1 C6 SINGLE NONE 5
3TD C2 O2 DOUBLE NONE 6
3TD C2 N3 SINGLE NONE 7
3TD N3 C4 SINGLE NONE 8
3TD N3 C10 SINGLE NONE 9
3TD C4 O4 DOUBLE NONE 10
3TD C4 C5 SINGLE NONE 11
3TD C5 C6 DOUBLE NONE 12
3TD "C1'" C5 SINGLE BEGINDASH 13
3TD "C1'" "C2'" SINGLE NONE 14
3TD "C1'" "O4'" SINGLE NONE 15
3TD "C2'" "O2'" SINGLE BEGINWEDGE 16
3TD "C2'" "C3'" SINGLE NONE 17
3TD "C3'" "O3'" SINGLE BEGINWEDGE 18
3TD "C3'" "C4'" SINGLE NONE 19
3TD "C4'" "O4'" SINGLE NONE 20
3TD "C4'" "C5'" SINGLE BEGINDASH 21
3TD "C5'" "O5'" SINGLE NONE 22
3TD P O9 SINGLE NONE 23
#
loop_
_pdbe_chem_comp_substructure.comp_id
_pdbe_chem_comp_substructure.substructure_name
_pdbe_chem_comp_substructure.id
_pdbe_chem_comp_substructure.substructure_type
_pdbe_chem_comp_substructure.substructure_smiles
_pdbe_chem_comp_substructure.substructure_inchis
_pdbe_chem_comp_substructure.substructure_inchikeys
3TD MurckoScaffold S1 scaffold 'O=c1[nH]cc([C@H]2CCCO2)c(=O)[nH]1' InChI=1S/C8H10N2O3/c11-7-5(4-9-8(12)10-7)6-2-1-3-13-6/h4,6H,1-3H2,(H2,9,10,11,12)/t6-/m1/s1 YRMMFKUTSWTZND-ZCFIWIBFSA-N
3TD phosphate F1 fragment O=P(O)(O)O InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) NBIIXXVUZAFLBC-UHFFFAOYSA-N
3TD pyrimidine F2 fragment c1cncnc1 InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H CZPWVGJYEJSRLH-UHFFFAOYSA-N
3TD ribose F3 fragment OCC1OCC(O)C1O InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2 KZVAAIRBJJYZOW-UHFFFAOYSA-N
#
loop_
_pdbe_chem_comp_substructure_mapping.comp_id
_pdbe_chem_comp_substructure_mapping.atom_id
_pdbe_chem_comp_substructure_mapping.substructure_id
_pdbe_chem_comp_substructure_mapping.substructure_ordinal
3TD N1 S1 1
3TD C2 S1 1
3TD O2 S1 1
3TD N3 S1 1
3TD C4 S1 1
3TD O4 S1 1
3TD C5 S1 1
3TD C6 S1 1
3TD "C1'" S1 1
3TD "C2'" S1 1
3TD "C3'" S1 1
3TD "C4'" S1 1
3TD "O4'" S1 1
3TD "O5'" F1 1
3TD P F1 1
3TD OP2 F1 1
3TD OP1 F1 1
3TD HN1 F1 1
3TD C5 F2 1
3TD C4 F2 1
3TD N3 F2 1
3TD C2 F2 1
3TD N1 F2 1
3TD C6 F2 1
3TD "C2'" F3 1
3TD "C3'" F3 1
3TD "C4'" F3 1
3TD "O4'" F3 1
3TD "C1'" F3 1
3TD "C5'" F3 1
3TD "O5'" F3 1
3TD "O3'" F3 1
3TD "O2'" F3 1
#
_pdbe_chem_comp_rdkit_properties.comp_id 3TD
_pdbe_chem_comp_rdkit_properties.exactmw 338.052
_pdbe_chem_comp_rdkit_properties.amw 338.209
_pdbe_chem_comp_rdkit_properties.lipinskiHBA 11
_pdbe_chem_comp_rdkit_properties.lipinskiHBD 5
_pdbe_chem_comp_rdkit_properties.NumRotatableBonds 9
_pdbe_chem_comp_rdkit_properties.NumHBD 5
_pdbe_chem_comp_rdkit_properties.NumHBA 10
_pdbe_chem_comp_rdkit_properties.NumHeavyAtoms 22
_pdbe_chem_comp_rdkit_properties.NumAtoms 37
_pdbe_chem_comp_rdkit_properties.NumHeteroatoms 12
_pdbe_chem_comp_rdkit_properties.NumAmideBonds 0
_pdbe_chem_comp_rdkit_properties.FractionCSP3 0.600
_pdbe_chem_comp_rdkit_properties.NumRings 2
_pdbe_chem_comp_rdkit_properties.NumAromaticRings 1
_pdbe_chem_comp_rdkit_properties.NumAliphaticRings 1
_pdbe_chem_comp_rdkit_properties.NumSaturatedRings 1
_pdbe_chem_comp_rdkit_properties.NumHeterocycles 2
_pdbe_chem_comp_rdkit_properties.NumAromaticHeterocycles 1
_pdbe_chem_comp_rdkit_properties.NumSaturatedHeterocycles 1
_pdbe_chem_comp_rdkit_properties.NumAliphaticHeterocycles 1
_pdbe_chem_comp_rdkit_properties.NumSpiroAtoms 0
_pdbe_chem_comp_rdkit_properties.NumBridgeheadAtoms 0
_pdbe_chem_comp_rdkit_properties.NumAtomStereoCenters 4
_pdbe_chem_comp_rdkit_properties.NumUnspecifiedAtomStereoCenters 0
_pdbe_chem_comp_rdkit_properties.labuteASA 144.020
_pdbe_chem_comp_rdkit_properties.tpsa 171.310
_pdbe_chem_comp_rdkit_properties.CrippenClogP -0.910
_pdbe_chem_comp_rdkit_properties.CrippenMR 69.877
_pdbe_chem_comp_rdkit_properties.chi0v 10.910
_pdbe_chem_comp_rdkit_properties.chi1v 6.488
_pdbe_chem_comp_rdkit_properties.chi2v 2.487
_pdbe_chem_comp_rdkit_properties.chi3v 2.487
_pdbe_chem_comp_rdkit_properties.chi4v 1.473
_pdbe_chem_comp_rdkit_properties.chi0n 25.016
_pdbe_chem_comp_rdkit_properties.chi1n 12.107
_pdbe_chem_comp_rdkit_properties.chi2n 2.172
_pdbe_chem_comp_rdkit_properties.chi3n 2.172
_pdbe_chem_comp_rdkit_properties.chi4n 1.278
_pdbe_chem_comp_rdkit_properties.hallKierAlpha -1.330
_pdbe_chem_comp_rdkit_properties.kappa1 5.947
_pdbe_chem_comp_rdkit_properties.kappa2 6.048
_pdbe_chem_comp_rdkit_properties.kappa3 3.357
_pdbe_chem_comp_rdkit_properties.Phi 1.635
#
loop_
_pdbe_chem_comp_external_mappings.comp_id
_pdbe_chem_comp_external_mappings.source
_pdbe_chem_comp_external_mappings.resource
_pdbe_chem_comp_external_mappings.resource_id
3TD UniChem ChEBI 74731
3TD UniChem ZINC ZINC000064746411
3TD UniChem SureChEMBL SCHEMBL14928635
3TD UniChem PubChem 52941584
#
loop_
_pdbe_chem_comp_rdkit_conformer.comp_id
_pdbe_chem_comp_rdkit_conformer.atom_id
_pdbe_chem_comp_rdkit_conformer.Cartn_x_rdkit
_pdbe_chem_comp_rdkit_conformer.Cartn_y_rdkit
_pdbe_chem_comp_rdkit_conformer.Cartn_z_rdkit
_pdbe_chem_comp_rdkit_conformer.rdkit_method
_pdbe_chem_comp_rdkit_conformer.rdkit_ordinal
3TD P -4.743 -1.078 -0.121 ETKDGv3 1
3TD N1 4.451 0.123 0.792 ETKDGv3 2
3TD C2 4.435 -1.033 -0.048 ETKDGv3 3
3TD O2 5.520 -1.597 -0.354 ETKDGv3 4
3TD N3 3.182 -1.534 -0.537 ETKDGv3 5
3TD C4 1.985 -0.797 -0.226 ETKDGv3 6
3TD O4 0.882 -1.143 -0.732 ETKDGv3 7
3TD C5 2.046 0.379 0.682 ETKDGv3 8
3TD C6 3.238 0.800 1.137 ETKDGv3 9
3TD "C1'" 0.790 1.150 1.042 ETKDGv3 10
3TD C10 3.139 -2.678 -1.453 ETKDGv3 11
3TD "C2'" 0.320 2.034 -0.126 ETKDGv3 12
3TD "O2'" 0.324 3.388 0.252 ETKDGv3 13
3TD "C3'" -1.091 1.549 -0.391 ETKDGv3 14
3TD "O3'" -1.994 2.604 -0.604 ETKDGv3 15
3TD "C4'" -1.437 0.789 0.882 ETKDGv3 16
3TD "O4'" -0.241 0.254 1.395 ETKDGv3 17
3TD "C5'" -2.441 -0.341 0.635 ETKDGv3 18
3TD "O5'" -3.651 0.202 0.161 ETKDGv3 19
3TD OP1 -6.175 -0.446 -0.764 ETKDGv3 20
3TD OP2 -5.054 -1.791 1.176 ETKDGv3 21
3TD HN1 5.359 0.486 1.158 ETKDGv3 22
3TD H6 3.300 1.674 1.774 ETKDGv3 23
3TD "H1'" 0.986 1.786 1.937 ETKDGv3 24
3TD H10 3.236 -2.320 -2.500 ETKDGv3 25
3TD H10A 3.961 -3.391 -1.232 ETKDGv3 26
3TD H10B 2.184 -3.234 -1.343 ETKDGv3 27
3TD "H2'" 0.936 1.897 -1.047 ETKDGv3 28
3TD "HO2'" 1.273 3.680 0.238 ETKDGv3 29
3TD "H3'" -1.088 0.856 -1.267 ETKDGv3 30
3TD "HO3'" -1.822 2.938 -1.523 ETKDGv3 31
3TD "H4'" -1.863 1.488 1.639 ETKDGv3 32
3TD "H5'" -2.605 -0.869 1.602 ETKDGv3 33
3TD "H5'A" -2.004 -1.054 -0.101 ETKDGv3 34
3TD O9 -4.081 -2.175 -1.228 ETKDGv3 35
3TD H14 -6.461 0.244 -0.113 ETKDGv3 36
3TD H15 -4.797 -2.841 -1.383 ETKDGv3 37
#