data_IBP
#
_chem_comp.id IBP
_chem_comp.name IBUPROFEN
_chem_comp.type NON-POLYMER
_chem_comp.pdbx_type HETAIN
_chem_comp.formula "C13 H18 O2"
_chem_comp.mon_nstd_parent_comp_id ?
_chem_comp.pdbx_synonyms "2-(4-ISOBUTYLPHENYL)PROPIONIC ACID"
_chem_comp.pdbx_formal_charge 0
_chem_comp.pdbx_initial_date 2000-04-10
_chem_comp.pdbx_modified_date 2020-06-17
_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 206.281
_chem_comp.one_letter_code ?
_chem_comp.three_letter_code IBP
_chem_comp.pdbx_model_coordinates_details ?
_chem_comp.pdbx_model_coordinates_missing_flag N
_chem_comp.pdbx_ideal_coordinates_details ?
_chem_comp.pdbx_ideal_coordinates_missing_flag N
_chem_comp.pdbx_model_coordinates_db_code 1EQG
_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
IBP C1 C1 C 0 1 N N N N N N 67.886 20.551 192.867 -0.364 -0.176 -3.442 C1 IBP 1
IBP C2 C2 C 0 1 N N N N N N 68.473 23.285 186.859 -0.931 -0.349 2.970 C2 IBP 2
IBP C3 C3 C 0 1 N N N N N N 68.608 24.781 187.174 0.010 0.473 3.851 C3 IBP 3
IBP C4 C4 C 0 1 N N N N N N 68.059 25.613 186.018 -0.455 0.394 5.307 C4 IBP 4
IBP C5 C5 C 0 1 N N N N N N 70.054 25.158 187.423 1.430 -0.083 3.739 C5 IBP 5
IBP C6 C6 C 0 1 N N S N N N 67.852 19.721 191.594 0.825 -0.050 -2.526 C6 IBP 6
IBP C7 C7 C 0 1 N N N N N N 66.601 18.848 191.541 1.515 1.293 -2.768 C7 IBP 7
IBP C8 C8 C 0 1 Y N N N N N 67.991 20.663 190.375 0.366 -0.129 -1.093 C8 IBP 8
IBP C9 C9 C 0 1 Y N N N N N 69.229 20.777 189.706 0.844 -1.130 -0.268 C9 IBP 9
IBP C10 C10 C 0 1 Y N N N N N 69.380 21.620 188.580 0.424 -1.201 1.046 C10 IBP 10
IBP C11 C11 C 0 1 Y N N N N N 68.296 22.385 188.074 -0.473 -0.271 1.536 C11 IBP 11
IBP C12 C12 C 0 1 Y N N N N N 67.059 22.273 188.742 -0.955 0.726 0.710 C12 IBP 12
IBP C13 C13 C 0 1 Y N N N N N 66.907 21.429 189.870 -0.531 0.800 -0.603 C13 IBP 13
IBP O1 O1 O 0 1 N N N N N N 69.056 20.622 193.431 -0.194 -0.134 -4.773 O1 IBP 14
IBP O2 O2 O 0 1 N N N N N N 66.901 21.095 193.346 -1.471 -0.316 -2.979 O2 IBP 15
IBP H21 1H2 H 0 1 N N N N N N 67.644 23.118 186.132 -0.921 -1.388 3.299 H21 IBP 16
IBP H22 2H2 H 0 1 N N N N N N 69.339 22.940 186.247 -1.943 0.047 3.050 H22 IBP 17
IBP H31 1H3 H 0 1 N N N N N N 68.020 24.990 188.098 0.000 1.512 3.523 H31 IBP 18
IBP H41 1H4 H 0 1 N N N N N N 68.157 26.699 186.246 0.215 0.980 5.935 H41 IBP 19
IBP H42 2H4 H 0 1 N N N N N N 68.538 25.346 185.047 -1.467 0.791 5.387 H42 IBP 20
IBP H43 3H4 H 0 1 N N N N N N 67.009 25.333 185.764 -0.445 -0.644 5.636 H43 IBP 21
IBP H51 1H5 H 0 1 N N N N N N 70.152 26.244 187.651 1.440 -1.122 4.068 H51 IBP 22
IBP H52 2H5 H 0 1 N N N N N N 70.511 24.527 188.221 1.762 -0.027 2.702 H52 IBP 23
IBP H53 3H5 H 0 1 N N N N N N 70.709 24.856 186.572 2.101 0.503 4.367 H53 IBP 24
IBP H61 1H6 H 0 1 N N N N N N 68.712 19.011 191.576 1.526 -0.860 -2.728 H61 IBP 25
IBP H71 1H7 H 0 1 N N N N N N 66.576 18.239 190.607 0.813 2.103 -2.566 H71 IBP 26
IBP H72 2H7 H 0 1 N N N N N N 66.506 18.209 192.450 2.375 1.384 -2.106 H72 IBP 27
IBP H73 3H7 H 0 1 N N N N N N 65.672 19.453 191.661 1.847 1.350 -3.805 H73 IBP 28
IBP H91 1H9 H 0 1 N N N N N N 70.093 20.197 190.069 1.546 -1.856 -0.651 H91 IBP 29
IBP H101 1H10 H 0 0 N N N N N N 70.364 21.682 188.085 0.797 -1.983 1.690 H101 IBP 30
IBP H121 1H12 H 0 0 N N N N N N 66.196 22.855 188.376 -1.656 1.452 1.093 H121 IBP 31
IBP H131 1H13 H 0 0 N N N N N N 65.923 21.366 190.365 -0.904 1.582 -1.247 H131 IBP 32
IBP HO1 HO1 H 0 1 N N N N N N 69.077 21.140 194.226 -0.958 -0.215 -5.361 HO1 IBP 33
#
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
IBP C1 C6 SING N N 1
IBP C1 O1 SING N N 2
IBP C1 O2 DOUB N N 3
IBP C2 C3 SING N N 4
IBP C2 C11 SING N N 5
IBP C2 H21 SING N N 6
IBP C2 H22 SING N N 7
IBP C3 C4 SING N N 8
IBP C3 C5 SING N N 9
IBP C3 H31 SING N N 10
IBP C4 H41 SING N N 11
IBP C4 H42 SING N N 12
IBP C4 H43 SING N N 13
IBP C5 H51 SING N N 14
IBP C5 H52 SING N N 15
IBP C5 H53 SING N N 16
IBP C6 C7 SING N N 17
IBP C6 C8 SING N N 18
IBP C6 H61 SING N N 19
IBP C7 H71 SING N N 20
IBP C7 H72 SING N N 21
IBP C7 H73 SING N N 22
IBP C8 C9 DOUB Y N 23
IBP C8 C13 SING Y N 24
IBP C9 C10 SING Y N 25
IBP C9 H91 SING N N 26
IBP C10 C11 DOUB Y N 27
IBP C10 H101 SING N N 28
IBP C11 C12 SING Y N 29
IBP C12 C13 DOUB Y N 30
IBP C12 H121 SING N N 31
IBP C13 H131 SING N N 32
IBP O1 HO1 SING N N 33
#
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
IBP SMILES ACDLabs 10.04 O=C(O)C(c1ccc(cc1)CC(C)C)C
IBP SMILES_CANONICAL CACTVS 3.341 CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O
IBP SMILES CACTVS 3.341 CC(C)Cc1ccc(cc1)[CH](C)C(O)=O
IBP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O
IBP SMILES "OpenEye OEToolkits" 1.5.0 CC(C)Cc1ccc(cc1)C(C)C(=O)O
IBP InChI InChI 1.03 InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
IBP InChIKey InChI 1.03 HEFNNWSXXWATRW-JTQLQIEISA-N
#
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
IBP "SYSTEMATIC NAME" ACDLabs 10.04 "(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid"
IBP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid"
#
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
IBP 'Create component' 2000-04-10 RCSB
IBP 'Modify descriptor' 2011-06-04 RCSB
IBP 'Modify synonyms' 2020-06-05 PDBE
#
_pdbx_chem_comp_synonyms.ordinal 1
_pdbx_chem_comp_synonyms.comp_id IBP
_pdbx_chem_comp_synonyms.name "2-(4-ISOBUTYLPHENYL)PROPIONIC ACID"
_pdbx_chem_comp_synonyms.provenance ?
_pdbx_chem_comp_synonyms.type ?
#
_pdbe_chem_comp_drugbank_details.comp_id IBP
_pdbe_chem_comp_drugbank_details.drugbank_id DB09213
_pdbe_chem_comp_drugbank_details.type 'small molecule'
_pdbe_chem_comp_drugbank_details.name Dexibuprofen
_pdbe_chem_comp_drugbank_details.description
'Dexibuprofen, S(+)-ibuprofen, is a non-steroidal anti-inflammatory drug (NSAID). It is a pharmacologically effective enantiomer of racemic ibuprofen that differs in physicochemical properties. It is proposed to be more pharmacologically active and tolerable with a better safety profile than ibuprofen due to higher concentration of active S enantiomer. Dexibuprofen has a slower dissolution rate in the simulated gastric and enteric juices compared with the racemic ibuprofen and displays improved oral bioavilability [A19259]. For Metabolism, Enzymes, Carriers, Transporters Sections, refer to [Ibuprofen].'
_pdbe_chem_comp_drugbank_details.cas_number 51146-56-6
_pdbe_chem_comp_drugbank_details.mechanism_of_action
'Like common NSAIDs, dexibuprofen is an active enantiomer of [ibuprofen] that suppresses the prostanoid synthesis in the inflammatory cells via inhibition of the COX-2 isoform of the arachidonic acid COX.[T28] For more information, refer to [ibuprofen].'
#
loop_
_pdbe_chem_comp_synonyms.comp_id
_pdbe_chem_comp_synonyms.name
_pdbe_chem_comp_synonyms.provenance
_pdbe_chem_comp_synonyms.type
IBP '2-(4-ISOBUTYLPHENYL)PROPIONIC ACID' wwPDB ?
IBP '(+)-(S)-p-isobutylhydratropic acid' DrugBank ?
IBP '(2S)-2-(4-isobutylphenyl)propanoic acid' DrugBank ?
IBP '(S)-α-methyl-4-(2-methylpropyl)benzeneacetic acid' DrugBank ?
IBP d-ibuproten DrugBank ?
IBP Dexibuprofen DrugBank ?
#
_pdbe_chem_comp_drugbank_classification.comp_id IBP
_pdbe_chem_comp_drugbank_classification.drugbank_id DB09213
_pdbe_chem_comp_drugbank_classification.parent 'Phenylpropanoic acids'
_pdbe_chem_comp_drugbank_classification.kingdom 'Organic compounds'
_pdbe_chem_comp_drugbank_classification.class 'Phenylpropanoic acids'
_pdbe_chem_comp_drugbank_classification.superclass 'Phenylpropanoids and polyketides'
_pdbe_chem_comp_drugbank_classification.description
'This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.'
#
loop_
_pdbe_chem_comp_drugbank_targets.comp_id
_pdbe_chem_comp_drugbank_targets.drugbank_id
_pdbe_chem_comp_drugbank_targets.name
_pdbe_chem_comp_drugbank_targets.organism
_pdbe_chem_comp_drugbank_targets.uniprot_id
_pdbe_chem_comp_drugbank_targets.pharmacologically_active
_pdbe_chem_comp_drugbank_targets.ordinal
IBP DB09213 'Prostaglandin G/H synthase 2' Humans P35354 yes 1
IBP DB09213 'Prostaglandin G/H synthase 1' Humans P23219 unknown 2
IBP DB09213 'Apoptosis regulator Bcl-2' Humans P10415 unknown 3
IBP DB09213 Thrombomodulin Humans P07204 unknown 4
IBP DB09213 'Tissue-type plasminogen activator' Humans P00750 unknown 5
IBP DB09213 'Fatty acid-binding protein, intestinal' Humans P12104 unknown 6
IBP DB09213 'Peroxisome proliferator-activated receptor gamma' Humans P37231 unknown 7
IBP DB09213 'Cystic fibrosis transmembrane conductance regulator' Humans P13569 unknown 8
IBP DB09213 'Solute carrier family 15 member 1' Humans P46059 unknown 9
IBP DB09213 'Peroxisome proliferator-activated receptor alpha' Humans Q07869 unknown 10
IBP DB09213 'Platelet glycoprotein Ib alpha chain' Humans P07359 unknown 11
IBP DB09213 'Protein S100-A7' Humans P31151 unknown 12
#
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
IBP C1 C 6.897 3.518 1
IBP C2 C 5.598 -3.232 2
IBP C3 C 4.299 -3.982 3
IBP C4 C 4.299 -5.482 4
IBP C5 C 3.000 -3.232 5
IBP C6 C 5.598 2.768 6
IBP C7 C 4.299 3.518 7
IBP C8 C 5.598 1.268 8
IBP C9 C 6.897 0.517 9
IBP C10 C 6.897 -0.983 10
IBP C11 C 5.598 -1.732 11
IBP C12 C 4.299 -0.983 12
IBP C13 C 4.299 0.517 13
IBP O1 O 6.897 5.018 14
IBP O2 O 8.196 2.768 15
#
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
IBP C1 C6 SINGLE NONE 1
IBP C1 O1 SINGLE NONE 2
IBP C1 O2 DOUBLE NONE 3
IBP C2 C3 SINGLE NONE 4
IBP C2 C11 SINGLE NONE 5
IBP C3 C4 SINGLE NONE 6
IBP C3 C5 SINGLE NONE 7
IBP C6 C7 SINGLE BEGINDASH 8
IBP C6 C8 SINGLE NONE 9
IBP C8 C9 DOUBLE NONE 10
IBP C8 C13 SINGLE NONE 11
IBP C9 C10 SINGLE NONE 12
IBP C10 C11 DOUBLE NONE 13
IBP C11 C12 SINGLE NONE 14
IBP C12 C13 DOUBLE NONE 15
#
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
IBP MurckoScaffold S1 scaffold c1ccccc1 InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H UHOVQNZJYSORNB-UHFFFAOYSA-N
IBP phenyl F1 fragment c1ccccc1 InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H UHOVQNZJYSORNB-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
IBP C8 S1 1
IBP C9 S1 1
IBP C10 S1 1
IBP C11 S1 1
IBP C12 S1 1
IBP C13 S1 1
IBP C8 F1 1
IBP C9 F1 1
IBP C10 F1 1
IBP C11 F1 1
IBP C12 F1 1
IBP C13 F1 1
#
_pdbe_chem_comp_rdkit_properties.comp_id IBP
_pdbe_chem_comp_rdkit_properties.exactmw 206.131
_pdbe_chem_comp_rdkit_properties.amw 206.285
_pdbe_chem_comp_rdkit_properties.lipinskiHBA 2
_pdbe_chem_comp_rdkit_properties.lipinskiHBD 1
_pdbe_chem_comp_rdkit_properties.NumRotatableBonds 7
_pdbe_chem_comp_rdkit_properties.NumHBD 1
_pdbe_chem_comp_rdkit_properties.NumHBA 2
_pdbe_chem_comp_rdkit_properties.NumHeavyAtoms 15
_pdbe_chem_comp_rdkit_properties.NumAtoms 33
_pdbe_chem_comp_rdkit_properties.NumHeteroatoms 2
_pdbe_chem_comp_rdkit_properties.NumAmideBonds 0
_pdbe_chem_comp_rdkit_properties.FractionCSP3 0.462
_pdbe_chem_comp_rdkit_properties.NumRings 1
_pdbe_chem_comp_rdkit_properties.NumAromaticRings 1
_pdbe_chem_comp_rdkit_properties.NumAliphaticRings 0
_pdbe_chem_comp_rdkit_properties.NumSaturatedRings 0
_pdbe_chem_comp_rdkit_properties.NumHeterocycles 0
_pdbe_chem_comp_rdkit_properties.NumAromaticHeterocycles 0
_pdbe_chem_comp_rdkit_properties.NumSaturatedHeterocycles 0
_pdbe_chem_comp_rdkit_properties.NumAliphaticHeterocycles 0
_pdbe_chem_comp_rdkit_properties.NumSpiroAtoms 0
_pdbe_chem_comp_rdkit_properties.NumBridgeheadAtoms 0
_pdbe_chem_comp_rdkit_properties.NumAtomStereoCenters 1
_pdbe_chem_comp_rdkit_properties.NumUnspecifiedAtomStereoCenters 0
_pdbe_chem_comp_rdkit_properties.labuteASA 116.318
_pdbe_chem_comp_rdkit_properties.tpsa 37.300
_pdbe_chem_comp_rdkit_properties.CrippenClogP 2.964
_pdbe_chem_comp_rdkit_properties.CrippenMR 60.503
_pdbe_chem_comp_rdkit_properties.chi0v 7.316
_pdbe_chem_comp_rdkit_properties.chi1v 3.658
_pdbe_chem_comp_rdkit_properties.chi2v 1.329
_pdbe_chem_comp_rdkit_properties.chi3v 1.329
_pdbe_chem_comp_rdkit_properties.chi4v 0.727
_pdbe_chem_comp_rdkit_properties.chi0n 25.316
_pdbe_chem_comp_rdkit_properties.chi1n 12.566
_pdbe_chem_comp_rdkit_properties.chi2n 1.329
_pdbe_chem_comp_rdkit_properties.chi3n 1.329
_pdbe_chem_comp_rdkit_properties.chi4n 0.727
_pdbe_chem_comp_rdkit_properties.hallKierAlpha -1.310
_pdbe_chem_comp_rdkit_properties.kappa1 2.195
_pdbe_chem_comp_rdkit_properties.kappa2 4.964
_pdbe_chem_comp_rdkit_properties.kappa3 3.388
_pdbe_chem_comp_rdkit_properties.Phi 0.727
#
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
IBP UniChem ChEMBL CHEMBL175
IBP UniChem DrugBank DB09213
IBP UniChem 'PubChem DOTF' 12014434
IBP UniChem ChEBI 43415
IBP UniChem ZINC ZINC000000002647
IBP UniChem eMolecules 502519
IBP UniChem fdasrs 671DKG7P5S
IBP UniChem PharmGKB PA166049174
IBP UniChem 'PubChem TPHARMA' 14822379
IBP UniChem LINCS LSM-2323
IBP UniChem ACTor 51146-56-6
IBP UniChem DrugCentral 3851
IBP UniChem BRENDA 226318
IBP UniChem BRENDA 35083
IBP UniChem ChemicalBook CB0699655
IBP UniChem ClinicalTrials DEXIBUPROFEN
IBP UniChem MedChemExpress HY-78131A
IBP UniChem 'Probes And Drugs' PD001306
IBP UniChem CCDC JEKNOC
IBP UniChem 'EPA CompTox Dashboard' DTXSID9048724
IBP UniChem SureChEMBL SCHEMBL43531
IBP UniChem 'PubChem TPHARMA' 15121090
IBP UniChem PubChem 39912
IBP UniChem Mcule MCULE-6401400613
IBP UniChem Nikkaji J384.813B
IBP UniChem BindingDb 50169047
#
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
IBP C1 3.533 -0.085 1.640 ETKDGv3 1
IBP C2 -2.232 0.103 -1.440 ETKDGv3 2
IBP C3 -3.185 -0.444 -0.355 ETKDGv3 3
IBP C4 -4.620 -0.502 -0.894 ETKDGv3 4
IBP C5 -2.751 -1.834 0.132 ETKDGv3 5
IBP C6 3.141 1.036 0.717 ETKDGv3 6
IBP C7 4.163 1.220 -0.411 ETKDGv3 7
IBP C8 1.754 0.798 0.157 ETKDGv3 8
IBP C9 0.765 1.684 0.379 ETKDGv3 9
IBP C10 -0.588 1.453 -0.168 ETKDGv3 10
IBP C11 -0.847 0.358 -0.902 ETKDGv3 11
IBP C12 0.237 -0.623 -1.148 ETKDGv3 12
IBP C13 1.462 -0.417 -0.651 ETKDGv3 13
IBP O1 4.113 -1.248 1.137 ETKDGv3 14
IBP O2 3.296 0.010 2.874 ETKDGv3 15
IBP H21 -2.637 1.057 -1.844 ETKDGv3 16
IBP H22 -2.183 -0.609 -2.293 ETKDGv3 17
IBP H31 -3.180 0.250 0.515 ETKDGv3 18
IBP H41 -4.955 0.510 -1.206 ETKDGv3 19
IBP H42 -4.683 -1.186 -1.769 ETKDGv3 20
IBP H43 -5.313 -0.864 -0.105 ETKDGv3 21
IBP H51 -3.473 -2.221 0.883 ETKDGv3 22
IBP H52 -2.700 -2.550 -0.716 ETKDGv3 23
IBP H53 -1.755 -1.781 0.621 ETKDGv3 24
IBP H61 3.153 1.978 1.312 ETKDGv3 25
IBP H71 5.167 1.431 0.017 ETKDGv3 26
IBP H72 3.871 2.081 -1.050 ETKDGv3 27
IBP H73 4.232 0.313 -1.047 ETKDGv3 28
IBP H91 0.942 2.580 0.961 ETKDGv3 29
IBP H101 -1.367 2.177 0.035 ETKDGv3 30
IBP H121 0.040 -1.515 -1.730 ETKDGv3 31
IBP H131 2.239 -1.145 -0.841 ETKDGv3 32
IBP HO1 4.361 -2.013 1.752 ETKDGv3 33
#