data_UR3
#
_chem_comp.id UR3
_chem_comp.name "3-METHYLURIDINE-5'-MONOPHOSHATE"
_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 2004-03-17
_chem_comp.pdbx_modified_date 2011-12-06
_chem_comp.pdbx_ambiguous_flag N
_chem_comp.pdbx_release_status REL
_chem_comp.pdbx_replaced_by ?
_chem_comp.pdbx_replaces 3MU
_chem_comp.formula_weight 338.208
_chem_comp.one_letter_code U
_chem_comp.three_letter_code UR3
_chem_comp.pdbx_model_coordinates_details ?
_chem_comp.pdbx_model_coordinates_missing_flag Y
_chem_comp.pdbx_ideal_coordinates_details Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag N
_chem_comp.pdbx_model_coordinates_db_code 1S72
_chem_comp.pdbx_subcomponent_list ?
_chem_comp.pdbx_processing_site PDBJ
#
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
UR3 P P P 0 1 N N N N N N 83.450 123.847 103.670 -4.415 1.039 -0.133 P UR3 1
UR3 OP1 O1P O 0 1 N N N N N N 84.632 122.966 103.596 -5.489 0.102 0.264 OP1 UR3 2
UR3 OP2 O2P O 0 1 N N N N N N 83.358 125.029 102.775 -4.087 2.030 1.093 OP2 UR3 3
UR3 "O5'" "O5'" O 0 1 N N N N N N 82.146 122.943 103.494 -3.092 0.207 -0.518 "O5'" UR3 4
UR3 "C5'" "C5'" C 0 1 N N N N N N 82.010 121.689 104.212 -2.480 -0.735 0.365 "C5'" UR3 5
UR3 "C4'" "C4'" C 0 1 N N R N N N 80.681 121.011 103.896 -1.249 -1.343 -0.311 "C4'" UR3 6
UR3 "O4'" "O4'" O 0 1 N N N N N N 79.562 121.808 104.369 -0.242 -0.333 -0.493 "O4'" UR3 7
UR3 "C1'" "C1'" C 0 1 N N R N N N 78.423 121.548 103.558 1.038 -0.982 -0.338 "C1'" UR3 8
UR3 N1 N1 N 0 1 N N N N N N 77.927 122.815 103.002 2.075 -0.004 -0.002 N1 UR3 9
UR3 C6 C6 C 0 1 N N N N N N 78.670 123.968 103.070 1.895 0.836 1.064 C6 UR3 10
UR3 C2 C2 C 0 1 N N N N N N 76.675 122.810 102.411 3.198 0.058 -0.740 C2 UR3 11
UR3 O2 O2 O 0 1 N N N N N N 75.997 121.793 102.303 3.339 -0.701 -1.680 O2 UR3 12
UR3 N3 N3 N 0 1 N N N N N N 76.251 124.033 101.938 4.167 0.947 -0.454 N3 UR3 13
UR3 C3U C3U C 0 1 N N N N N N 74.884 124.081 101.356 5.379 0.994 -1.274 C3U UR3 14
UR3 C4 C4 C 0 1 N N N N N N 76.955 125.226 101.976 4.025 1.796 0.584 C4 UR3 15
UR3 O4 O4 O 0 1 N N N N N N 76.478 126.242 101.461 4.900 2.602 0.843 O4 UR3 16
UR3 C5 C5 C 0 1 N N N N N N 78.240 125.136 102.591 2.851 1.738 1.373 C5 UR3 17
UR3 "C2'" "C2'" C 0 1 N N R N N N 78.844 120.548 102.483 0.807 -1.960 0.842 "C2'" UR3 18
UR3 "O2'" "O2'" O 0 1 N N N N N N 78.525 119.241 102.913 1.722 -3.056 0.783 "O2'" UR3 19
UR3 "C3'" "C3'" C 0 1 N N S N N N 80.344 120.786 102.434 -0.644 -2.437 0.590 "C3'" UR3 20
UR3 "O3'" "O3'" O 0 1 N N N N N N 81.004 119.655 101.924 -0.646 -3.697 -0.084 "O3'" UR3 21
UR3 OP3 O3P O 0 1 N Y N N N N ? ? ? -4.897 1.901 -1.405 OP3 UR3 22
UR3 HOP2 HOP2 H 0 0 N N N N N N 84.132 125.072 102.225 -3.390 2.673 0.904 HOP2 UR3 23
UR3 "H5'" "H5'1" H 0 1 N N N N N N 82.832 121.019 103.921 -2.178 -0.229 1.282 "H5'" UR3 24
UR3 "H5''" "H5'2" H 0 0 N N N N N N 82.063 121.887 105.293 -3.191 -1.525 0.603 "H5''" UR3 25
UR3 "H4'" "H4'" H 0 1 N N N N N N 80.666 120.036 104.405 -1.528 -1.766 -1.276 "H4'" UR3 26
UR3 "H1'" "H1'" H 0 1 N N N N N N 77.631 121.088 104.167 1.305 -1.527 -1.244 "H1'" UR3 27
UR3 H6 H6 H 0 1 N N N N N N 79.645 123.927 103.532 0.993 0.777 1.654 H6 UR3 28
UR3 H3U1 H3U1 H 0 0 N N N N N N 74.665 125.104 101.017 5.234 1.692 -2.099 H3U1 UR3 29
UR3 H3U2 H3U2 H 0 0 N N N N N N 74.825 123.391 100.501 6.219 1.325 -0.663 H3U2 UR3 30
UR3 H3U3 H3U3 H 0 0 N N N N N N 74.150 123.783 102.119 5.588 0.001 -1.671 H3U3 UR3 31
UR3 H5 H5 H 0 1 N N N N N N 78.864 126.014 102.668 2.721 2.407 2.212 H5 UR3 32
UR3 "H2'" "H2'" H 0 1 N N N N N N 78.378 120.797 101.518 0.886 -1.442 1.798 "H2'" UR3 33
UR3 "HO2'" "HO'2" H 0 0 N N N N N N 78.785 118.616 102.247 1.617 -3.696 1.501 "HO2'" UR3 34
UR3 "H3'" "H3'" H 0 1 N N N N N N 80.566 121.690 101.849 -1.192 -2.504 1.529 "H3'" UR3 35
UR3 "HO3'" H3T H 0 0 N Y N N N N 80.775 119.539 101.009 -0.275 -4.422 0.437 "HO3'" UR3 36
UR3 HOP3 HOP3 H 0 0 N N N N N N -0.760 0.567 0.047 -5.691 2.429 -1.244 HOP3 UR3 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
UR3 P OP1 DOUB N N 1
UR3 P OP2 SING N N 2
UR3 P "O5'" SING N N 3
UR3 P OP3 SING N N 4
UR3 OP2 HOP2 SING N N 5
UR3 "O5'" "C5'" SING N N 6
UR3 "C5'" "C4'" SING N N 7
UR3 "C5'" "H5'" SING N N 8
UR3 "C5'" "H5''" SING N N 9
UR3 "C4'" "O4'" SING N N 10
UR3 "C4'" "C3'" SING N N 11
UR3 "C4'" "H4'" SING N N 12
UR3 "O4'" "C1'" SING N N 13
UR3 "C1'" N1 SING N N 14
UR3 "C1'" "C2'" SING N N 15
UR3 "C1'" "H1'" SING N N 16
UR3 N1 C6 SING N N 17
UR3 N1 C2 SING N N 18
UR3 C6 C5 DOUB N N 19
UR3 C6 H6 SING N N 20
UR3 C2 O2 DOUB N N 21
UR3 C2 N3 SING N N 22
UR3 N3 C3U SING N N 23
UR3 N3 C4 SING N N 24
UR3 C3U H3U1 SING N N 25
UR3 C3U H3U2 SING N N 26
UR3 C3U H3U3 SING N N 27
UR3 C4 O4 DOUB N N 28
UR3 C4 C5 SING N N 29
UR3 C5 H5 SING N N 30
UR3 "C2'" "O2'" SING N N 31
UR3 "C2'" "C3'" SING N N 32
UR3 "C2'" "H2'" SING N N 33
UR3 "O2'" "HO2'" SING N N 34
UR3 "C3'" "O3'" SING N N 35
UR3 "C3'" "H3'" SING N N 36
UR3 "O3'" "HO3'" SING N N 37
UR3 OP3 HOP3 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
UR3 SMILES ACDLabs 12.01 O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C=C1)C)C(O)C2O
UR3 InChI InChI 1.03 InChI=1S/C10H15N2O9P/c1-11-6(13)2-3-12(10(11)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
UR3 InChIKey InChI 1.03 KZSHODFDDQCIMT-ZOQUXTDFSA-N
UR3 SMILES_CANONICAL CACTVS 3.370 CN1C(=O)C=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O
UR3 SMILES CACTVS 3.370 CN1C(=O)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
UR3 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
UR3 SMILES "OpenEye OEToolkits" 1.7.6 CN1C(=O)C=CN(C1=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
UR3 "SYSTEMATIC NAME" ACDLabs 12.01 "3-methyluridine 5'-(dihydrogen phosphate)"
UR3 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "[(2R,3S,4R,5R)-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-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
UR3 'Create component' 2004-03-17 PDBJ
UR3 'Modify descriptor' 2011-06-04 RCSB
UR3 'Other modification' 2011-12-06 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
UR3 P P 10.336 -4.683 1
UR3 OP1 O 11.218 -5.896 2
UR3 OP2 O 11.550 -3.801 3
UR3 "O5'" O 9.455 -3.469 4
UR3 "C5'" C 7.963 -3.626 5
UR3 "C4'" C 7.081 -2.412 6
UR3 "O4'" O 7.545 -0.986 7
UR3 "C1'" C 6.331 -0.104 8
UR3 N1 N 6.331 1.396 9
UR3 C6 C 5.032 2.146 10
UR3 C2 C 7.630 2.146 11
UR3 O2 O 8.929 1.396 12
UR3 N3 N 7.630 3.646 13
UR3 C3U C 8.929 4.396 14
UR3 C4 C 6.331 4.396 15
UR3 O4 O 6.331 5.896 16
UR3 C5 C 5.032 3.646 17
UR3 "C2'" C 5.118 -0.986 18
UR3 "O2'" O 3.691 -0.522 19
UR3 "C3'" C 5.581 -2.412 20
UR3 "O3'" O 4.699 -3.626 21
UR3 OP3 O 9.123 -5.564 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
UR3 P OP1 DOUBLE NONE 1
UR3 P OP2 SINGLE NONE 2
UR3 P "O5'" SINGLE NONE 3
UR3 P OP3 SINGLE NONE 4
UR3 "O5'" "C5'" SINGLE NONE 5
UR3 "C4'" "C5'" SINGLE BEGINDASH 6
UR3 "C4'" "O4'" SINGLE NONE 7
UR3 "C4'" "C3'" SINGLE NONE 8
UR3 "O4'" "C1'" SINGLE NONE 9
UR3 "C1'" N1 SINGLE BEGINDASH 10
UR3 "C1'" "C2'" SINGLE NONE 11
UR3 N1 C6 SINGLE NONE 12
UR3 N1 C2 SINGLE NONE 13
UR3 C6 C5 DOUBLE NONE 14
UR3 C2 O2 DOUBLE NONE 15
UR3 C2 N3 SINGLE NONE 16
UR3 N3 C3U SINGLE NONE 17
UR3 N3 C4 SINGLE NONE 18
UR3 C4 O4 DOUBLE NONE 19
UR3 C4 C5 SINGLE NONE 20
UR3 "C2'" "O2'" SINGLE BEGINWEDGE 21
UR3 "C2'" "C3'" SINGLE NONE 22
UR3 "C3'" "O3'" SINGLE BEGINWEDGE 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
UR3 MurckoScaffold S1 scaffold 'O=c1ccn([C@H]2CCCO2)c(=O)[nH]1' InChI=1S/C8H10N2O3/c11-6-3-4-10(8(12)9-6)7-2-1-5-13-7/h3-4,7H,1-2,5H2,(H,9,11,12)/t7-/m1/s1 CWWIKVUHBBTKHC-SSDOTTSWSA-N
UR3 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
UR3 pyrimidine F2 fragment c1cncnc1 InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H CZPWVGJYEJSRLH-UHFFFAOYSA-N
UR3 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
UR3 "C4'" S1 1
UR3 "O4'" S1 1
UR3 "C1'" S1 1
UR3 N1 S1 1
UR3 C6 S1 1
UR3 C2 S1 1
UR3 O2 S1 1
UR3 N3 S1 1
UR3 C4 S1 1
UR3 O4 S1 1
UR3 C5 S1 1
UR3 "C2'" S1 1
UR3 "C3'" S1 1
UR3 OP2 F1 1
UR3 P F1 1
UR3 OP1 F1 1
UR3 "O5'" F1 1
UR3 OP3 F1 1
UR3 C5 F2 1
UR3 C6 F2 1
UR3 N1 F2 1
UR3 C2 F2 1
UR3 N3 F2 1
UR3 C4 F2 1
UR3 "C2'" F3 1
UR3 "C3'" F3 1
UR3 "C4'" F3 1
UR3 "O4'" F3 1
UR3 "C1'" F3 1
UR3 "C5'" F3 1
UR3 "O5'" F3 1
UR3 "O3'" F3 1
UR3 "O2'" F3 1
#
_pdbe_chem_comp_rdkit_properties.comp_id UR3
_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 4
_pdbe_chem_comp_rdkit_properties.NumRotatableBonds 9
_pdbe_chem_comp_rdkit_properties.NumHBD 4
_pdbe_chem_comp_rdkit_properties.NumHBA 11
_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 144.172
_pdbe_chem_comp_rdkit_properties.tpsa 160.450
_pdbe_chem_comp_rdkit_properties.CrippenClogP -0.925
_pdbe_chem_comp_rdkit_properties.CrippenMR 70.079
_pdbe_chem_comp_rdkit_properties.chi0v 10.910
_pdbe_chem_comp_rdkit_properties.chi1v 6.461
_pdbe_chem_comp_rdkit_properties.chi2v 2.434
_pdbe_chem_comp_rdkit_properties.chi3v 2.434
_pdbe_chem_comp_rdkit_properties.chi4v 1.428
_pdbe_chem_comp_rdkit_properties.chi0n 25.016
_pdbe_chem_comp_rdkit_properties.chi1n 12.134
_pdbe_chem_comp_rdkit_properties.chi2n 2.119
_pdbe_chem_comp_rdkit_properties.chi3n 2.119
_pdbe_chem_comp_rdkit_properties.chi4n 1.233
_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
UR3 UniChem ChEMBL CHEMBL215940
UR3 UniChem ChEBI 74773
UR3 UniChem ZINC ZINC000013517711
UR3 UniChem PubChem 44602426
UR3 UniChem BindingDb 50199190
#
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
UR3 P 3.893 2.505 -1.106 ETKDGv3 1
UR3 OP1 2.813 3.494 -1.486 ETKDGv3 2
UR3 OP2 5.160 2.613 -2.222 ETKDGv3 3
UR3 "O5'" 3.266 0.920 -1.132 ETKDGv3 4
UR3 "C5'" 2.303 0.804 -0.111 ETKDGv3 5
UR3 "C4'" 1.665 -0.588 -0.160 ETKDGv3 6
UR3 "O4'" 0.785 -0.738 0.929 ETKDGv3 7
UR3 "C1'" -0.199 -1.672 0.540 ETKDGv3 8
UR3 N1 -1.521 -1.255 1.039 ETKDGv3 9
UR3 C6 -2.388 -2.249 1.621 ETKDGv3 10
UR3 C2 -1.999 0.100 0.881 ETKDGv3 11
UR3 O2 -1.264 0.975 0.347 ETKDGv3 12
UR3 N3 -3.320 0.448 1.332 ETKDGv3 13
UR3 C3U -3.794 1.834 1.259 ETKDGv3 14
UR3 C4 -4.110 -0.564 1.978 ETKDGv3 15
UR3 O4 -5.241 -0.288 2.461 ETKDGv3 16
UR3 C5 -3.603 -1.938 2.075 ETKDGv3 17
UR3 "C2'" -0.206 -1.796 -0.993 ETKDGv3 18
UR3 "O2'" 0.056 -3.120 -1.402 ETKDGv3 19
UR3 "C3'" 0.869 -0.823 -1.441 ETKDGv3 20
UR3 "O3'" 1.673 -1.365 -2.458 ETKDGv3 21
UR3 OP3 4.485 2.877 0.437 ETKDGv3 22
UR3 HOP2 4.769 2.302 -3.078 ETKDGv3 23
UR3 "H5'" 1.501 1.571 -0.219 ETKDGv3 24
UR3 "H5''" 2.786 0.923 0.886 ETKDGv3 25
UR3 "H4'" 2.471 -1.353 -0.067 ETKDGv3 26
UR3 "H1'" 0.079 -2.648 0.999 ETKDGv3 27
UR3 H6 -2.053 -3.276 1.705 ETKDGv3 28
UR3 H3U1 -3.390 2.340 0.357 ETKDGv3 29
UR3 H3U2 -4.901 1.869 1.187 ETKDGv3 30
UR3 H3U3 -3.468 2.386 2.165 ETKDGv3 31
UR3 H5 -4.222 -2.707 2.521 ETKDGv3 32
UR3 "H2'" -1.186 -1.490 -1.421 ETKDGv3 33
UR3 "HO2'" 0.938 -3.389 -1.032 ETKDGv3 34
UR3 "H3'" 0.377 0.119 -1.784 ETKDGv3 35
UR3 "HO3'" 2.093 -0.600 -2.930 ETKDGv3 36
UR3 HOP3 4.884 3.778 0.344 ETKDGv3 37
#