atomes-data (1.2.1-1build1)
Details
Core information at a glance
- Distribution
- ubuntu
- Origin
- ubuntu-stonking
- Repository
- https://nl.archive.ubuntu.com/ubuntu
- Codename
- stonking
- Component
- universe
- Source
- atomes
- Architecture
- amd64v3
- Section
- universe/science
- Priority
- optional
- Maintainer
- Ubuntu Developers <[email protected]>
Size & integrity
Byte sizes and integrity verification
- Installed size
- 7.1 kB
- Size expected
- 1.1 MB
- Size actual
- 1.1 MB
- Size match
Dependencies
Required package dependencies
- None
Description
atomic-scale 3D modeling toolbox (data)
Tags
Package classification tags
None
Checksums
Hash values and integrity verification status
| Type | Actual | Match |
|---|---|---|
| MD5 | f0f2d7dc…f20b97cd | |
| SHA-1 | 1ccfd296…46265103 | |
| SHA-256 | 07edd8c8…1b559b95 | |
| SHA-512 | 1e8c39fd…3763eda5 |
Contents
Files and directories included
. usr usr/share usr/share/atomes usr/share/atomes/library usr/share/atomes/library/force_fields usr/share/atomes/library/force_fields/amber94.ffl usr/share/atomes/library/force_fields/amber96.ffl usr/share/atomes/library/force_fields/amber98.ffl usr/share/atomes/library/force_fields/amber99.ffl usr/share/atomes/library/force_fields/cff91.ffl usr/share/atomes/library/force_fields/charmm-carb_36.ffl usr/share/atomes/library/force_fields/charmm-cgenff_36.ffl usr/share/atomes/library/force_fields/charmm-ethers_35.ffl usr/share/atomes/library/force_fields/charmm-lipid_36.ffl usr/share/atomes/library/force_fields/charmm-na_36.ffl usr/share/atomes/library/force_fields/charmm-prot_22.ffl usr/share/atomes/library/force_fields/charmm-prot_36.ffl usr/share/atomes/library/force_fields/charmm-prot_metals_22.ffl usr/share/atomes/library/force_fields/charmm-prot_metals_36.ffl usr/share/atomes/library/force_fields/charmm-silicates.ffl usr/share/atomes/library/force_fields/compass.ffl usr/share/atomes/library/force_fields/cvff.ffl usr/share/atomes/library/force_fields/cvff_aug.ffl usr/share/atomes/library/force_fields/oplsaap.ffl usr/share/atomes/library/force_fields/oplsaar.ffl usr/share/atomes/library/force_fields/pcff.ffl usr/share/atomes/library/molecules usr/share/atomes/library/molecules/Alcohols usr/share/atomes/library/molecules/Alcohols/2-aminoethanol.sml usr/share/atomes/library/molecules/Alcohols/but-2-yne-1_4-diol.sml usr/share/atomes/library/molecules/Alcohols/cyclohexanol.sml usr/share/atomes/library/molecules/Alcohols/cyclopentanol.sml usr/share/atomes/library/molecules/Alcohols/ethane-1_2-diol.sml usr/share/atomes/library/molecules/Alcohols/ethanol.sml usr/share/atomes/library/molecules/Alcohols/methanol.sml usr/share/atomes/library/molecules/Alcohols/propan-1-ol.sml usr/share/atomes/library/molecules/Alcohols/propan-2-ol.sml usr/share/atomes/library/molecules/Alcohols/propane-1_2_3-triol.sml usr/share/atomes/library/molecules/Aldehydes usr/share/atomes/library/molecules/Aldehydes/acetaldehyde.sml usr/share/atomes/library/molecules/Aldehydes/formaldehyde.sml usr/share/atomes/library/molecules/Alkanes usr/share/atomes/library/molecules/Alkanes/butane.sml usr/share/atomes/library/molecules/Alkanes/decane.sml usr/share/atomes/library/molecules/Alkanes/dodecane.sml usr/share/atomes/library/molecules/Alkanes/ethane.sml usr/share/atomes/library/molecules/Alkanes/heptane.sml usr/share/atomes/library/molecules/Alkanes/hexadecane.sml usr/share/atomes/library/molecules/Alkanes/hexane.sml usr/share/atomes/library/molecules/Alkanes/icosane.sml usr/share/atomes/library/molecules/Alkanes/methane.sml usr/share/atomes/library/molecules/Alkanes/methylpropane.sml usr/share/atomes/library/molecules/Alkanes/nonane.sml usr/share/atomes/library/molecules/Alkanes/octane.sml usr/share/atomes/library/molecules/Alkanes/pentadecane.sml usr/share/atomes/library/molecules/Alkanes/pentane.sml usr/share/atomes/library/molecules/Alkanes/propane.sml usr/share/atomes/library/molecules/Alkanes/tetracosane.sml usr/share/atomes/library/molecules/Alkanes/tetradecane.sml usr/share/atomes/library/molecules/Alkanes/tridecane.sml usr/share/atomes/library/molecules/Alkanes/undecane.sml usr/share/atomes/library/molecules/Alkenes usr/share/atomes/library/molecules/Alkenes/1-butene.sml usr/share/atomes/library/molecules/Alkenes/1-heptene.sml usr/share/atomes/library/molecules/Alkenes/1-hexene.sml usr/share/atomes/library/molecules/Alkenes/1-octene.sml usr/share/atomes/library/molecules/Alkenes/1-pentene.sml usr/share/atomes/library/molecules/Alkenes/2-methylbut-2-ene.sml usr/share/atomes/library/molecules/Alkenes/2-methylbuta-1_3-diene.sml usr/share/atomes/library/molecules/Alkenes/3z-3-ethylhepta-1_3-diene.sml usr/share/atomes/library/molecules/Alkenes/3z-penta-1_3-diene.sml usr/share/atomes/library/molecules/Alkenes/cis-2-butene.sml usr/share/atomes/library/molecules/Alkenes/e-2-heptene.sml usr/share/atomes/library/molecules/Alkenes/e-2-hexene.sml usr/share/atomes/library/molecules/Alkenes/e-2-octene.sml usr/share/atomes/library/molecules/Alkenes/e-2-pentene.sml usr/share/atomes/library/molecules/Alkenes/e-3-heptene.sml usr/share/atomes/library/molecules/Alkenes/e-3-hexene.sml usr/share/atomes/library/molecules/Alkenes/e-3-octene.sml usr/share/atomes/library/molecules/Alkenes/e-4-octene.sml usr/share/atomes/library/molecules/Alkenes/ethene.sml usr/share/atomes/library/molecules/Alkenes/piperylene.sml usr/share/atomes/library/molecules/Alkenes/propene.sml usr/share/atomes/library/molecules/Alkenes/trans-2-butene.sml usr/share/atomes/library/molecules/Alkenes/z-2-heptene.sml usr/share/atomes/library/molecules/Alkenes/z-2-hexene.sml usr/share/atomes/library/molecules/Alkenes/z-2-octene.sml usr/share/atomes/library/molecules/Alkenes/z-2-pentene.sml usr/share/atomes/library/molecules/Alkenes/z-3-heptene.sml usr/share/atomes/library/molecules/Alkenes/z-3-hexene.sml usr/share/atomes/library/molecules/Alkenes/z-3-octene.sml usr/share/atomes/library/molecules/Alkenes/z-4-octene.sml usr/share/atomes/library/molecules/Alkynes usr/share/atomes/library/molecules/Alkynes/ethyne.sml usr/share/atomes/library/molecules/Alkynes/propyne.sml usr/share/atomes/library/molecules/Amides usr/share/atomes/library/molecules/Amides/acetamide.sml usr/share/atomes/library/molecules/Amides/n_n-dimethylacetamide.sml usr/share/atomes/library/molecules/Amides/n_n-dimethylformamide.sml usr/share/atomes/library/molecules/Amides/oxamide.sml usr/share/atomes/library/molecules/Amides/urea.sml usr/share/atomes/library/molecules/Amides/urethane.sml usr/share/atomes/library/molecules/Amines usr/share/atomes/library/molecules/Amines/ammonia.sml usr/share/atomes/library/molecules/Amines/azepane.sml usr/share/atomes/library/molecules/Amines/azepine.sml usr/share/atomes/library/molecules/Amines/diethylamine.sml usr/share/atomes/library/molecules/Amines/dimethylamine.sml usr/share/atomes/library/molecules/Amines/ethylamine.sml usr/share/atomes/library/molecules/Amines/isopropylamine.sml usr/share/atomes/library/molecules/Amines/methylamine.sml usr/share/atomes/library/molecules/Amines/piperazine.sml usr/share/atomes/library/molecules/Amines/piperidine.sml usr/share/atomes/library/molecules/Amines/pyrrolidine.sml usr/share/atomes/library/molecules/Amines/r-sec-butylamine.sml usr/share/atomes/library/molecules/Amines/s-sec-butylamine.sml usr/share/atomes/library/molecules/Amines/tert-butylamine.sml usr/share/atomes/library/molecules/Amines/triethylamine.sml usr/share/atomes/library/molecules/Amines/triethylenediamine.sml usr/share/atomes/library/molecules/Amines/trimethylamine.sml usr/share/atomes/library/molecules/Amino_acids usr/share/atomes/library/molecules/Amino_acids/d-alanine.sml usr/share/atomes/library/molecules/Amino_acids/d-allo-threonine.sml usr/share/atomes/library/molecules/Amino_acids/d-arginine.sml usr/share/atomes/library/molecules/Amino_acids/d-asparagine.sml usr/share/atomes/library/molecules/Amino_acids/d-aspartic_acid.sml usr/share/atomes/library/molecules/Amino_acids/d-cysteine.sml usr/share/atomes/library/molecules/Amino_acids/d-glutamic_acid.sml usr/share/atomes/library/molecules/Amino_acids/d-glutamine.sml usr/share/atomes/library/molecules/Amino_acids/d-histidine.sml usr/share/atomes/library/molecules/Amino_acids/d-isoleucine.sml usr/share/atomes/library/molecules/Amino_acids/d-leucine.sml usr/share/atomes/library/molecules/Amino_acids/d-lysine.sml usr/share/atomes/library/molecules/Amino_acids/d-methionine.sml usr/share/atomes/library/molecules/Amino_acids/d-phenylalanine.sml usr/share/atomes/library/molecules/Amino_acids/d-proline.sml usr/share/atomes/library/molecules/Amino_acids/d-serine.sml usr/share/atomes/library/molecules/Amino_acids/d-threonine.sml usr/share/atomes/library/molecules/Amino_acids/d-tryptophan.sml usr/share/atomes/library/molecules/Amino_acids/d-tyrosine.sml usr/share/atomes/library/molecules/Amino_acids/d-valine.sml usr/share/atomes/library/molecules/Amino_acids/glycine.sml usr/share/atomes/library/molecules/Amino_acids/l-4-nitrophenylalanine.sml usr/share/atomes/library/molecules/Amino_acids/l-alanine.sml usr/share/atomes/library/molecules/Amino_acids/l-allo-isoleucine.sml usr/share/atomes/library/molecules/Amino_acids/l-arginine.sml usr/share/atomes/library/molecules/Amino_acids/l-asparagine.sml usr/share/atomes/library/molecules/Amino_acids/l-aspartic_acid.sml usr/share/atomes/library/molecules/Amino_acids/l-cysteine.sml usr/share/atomes/library/molecules/Amino_acids/l-glutamic_acid.sml usr/share/atomes/library/molecules/Amino_acids/l-glutamine.sml usr/share/atomes/library/molecules/Amino_acids/l-histidine.sml usr/share/atomes/library/molecules/Amino_acids/l-isoleucine.sml usr/share/atomes/library/molecules/Amino_acids/l-leucine.sml usr/share/atomes/library/molecules/Amino_acids/l-lysine.sml usr/share/atomes/library/molecules/Amino_acids/l-methionine.sml usr/share/atomes/library/molecules/Amino_acids/l-phenylalanine.sml usr/share/atomes/library/molecules/Amino_acids/l-proline.sml usr/share/atomes/library/molecules/Amino_acids/l-serine.sml usr/share/atomes/library/molecules/Amino_acids/l-threonine.sml usr/share/atomes/library/molecules/Amino_acids/l-tryptophan.sml usr/share/atomes/library/molecules/Amino_acids/l-tyrosine.sml usr/share/atomes/library/molecules/Amino_acids/l-valine.sml usr/share/atomes/library/molecules/Aromatics usr/share/atomes/library/molecules/Aromatics/1h-indole.sml usr/share/atomes/library/molecules/Aromatics/2h-chromene.sml usr/share/atomes/library/molecules/Aromatics/4h-chromene.sml usr/share/atomes/library/molecules/Aromatics/acenaphthene.sml usr/share/atomes/library/molecules/Aromatics/acenaphthenequinone.sml usr/share/atomes/library/molecules/Aromatics/acenaphthylene.sml usr/share/atomes/library/molecules/Aromatics/acridine.sml usr/share/atomes/library/molecules/Aromatics/aniline.sml usr/share/atomes/library/molecules/Aromatics/anisole.sml usr/share/atomes/library/molecules/Aromatics/anthracene.sml usr/share/atomes/library/molecules/Aromatics/benzaldehyde.sml usr/share/atomes/library/molecules/Aromatics/benzene.sml usr/share/atomes/library/molecules/Aromatics/benzofuran.sml usr/share/atomes/library/molecules/Aromatics/benzoic_acid.sml usr/share/atomes/library/molecules/Aromatics/benzothiophene.sml usr/share/atomes/library/molecules/Aromatics/benzoyl_chloride.sml usr/share/atomes/library/molecules/Aromatics/caffeine.sml usr/share/atomes/library/molecules/Aromatics/carbazole.sml usr/share/atomes/library/molecules/Aromatics/chromone.sml usr/share/atomes/library/molecules/Aromatics/cinnoline.sml usr/share/atomes/library/molecules/Aromatics/coumarin.sml usr/share/atomes/library/molecules/Aromatics/cyclopentadienyl.sml usr/share/atomes/library/molecules/Aromatics/fluorene.sml usr/share/atomes/library/molecules/Aromatics/indene.sml usr/share/atomes/library/molecules/Aromatics/isoquinoline.sml usr/share/atomes/library/molecules/Aromatics/naphthalene.sml usr/share/atomes/library/molecules/Aromatics/naphthyridine.sml usr/share/atomes/library/molecules/Aromatics/nitrobenzene.sml usr/share/atomes/library/molecules/Aromatics/phenanthrene.sml usr/share/atomes/library/molecules/Aromatics/phenanthroline.sml usr/share/atomes/library/molecules/Aromatics/phenol.sml usr/share/atomes/library/molecules/Aromatics/phthalimide.sml usr/share/atomes/library/molecules/Aromatics/purine.sml usr/share/atomes/library/molecules/Aromatics/quinazoline.sml usr/share/atomes/library/molecules/Aromatics/quinoline.sml usr/share/atomes/library/molecules/Aromatics/tetralin.sml usr/share/atomes/library/molecules/Aromatics/toluene.sml usr/share/atomes/library/molecules/Aromatics/uric_acid.sml usr/share/atomes/library/molecules/Aromatics/xanthene.sml usr/share/atomes/library/molecules/Carboxylic_acids usr/share/atomes/library/molecules/Carboxylic_acids/acetic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/butanoic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/citric_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/d-lactic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/d-malic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/d-tartaric_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/dichloroacetic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/formic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/isobutyric_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/l-ascorbic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/l-lactic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/l-malic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/l-tartaric_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/maleic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/oxalic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/propanoic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/trichloroacetic_acid.sml usr/share/atomes/library/molecules/Carboxylic_acids/trifluoroacetic_acid.sml usr/share/atomes/library/molecules/Cyclic_alkanes usr/share/atomes/library/molecules/Cyclic_alkanes/abietic_acid.sml usr/share/atomes/library/molecules/Cyclic_alkanes/adamantane.sml usr/share/atomes/library/molecules/Cyclic_alkanes/camphene.sml usr/share/atomes/library/molecules/Cyclic_alkanes/cis-decahydronaphthalene.sml usr/share/atomes/library/molecules/Cyclic_alkanes/cubane.sml usr/share/atomes/library/molecules/Cyclic_alkanes/cyclobutane.sml usr/share/atomes/library/molecules/Cyclic_alkanes/cyclodecane.sml usr/share/atomes/library/molecules/Cyclic_alkanes/cycloheptane.sml usr/share/atomes/library/molecules/Cyclic_alkanes/cyclohexane-chair.sml usr/share/atomes/library/molecules/Cyclic_alkanes/cyclohexane-twist-boat.sml usr/share/atomes/library/molecules/Cyclic_alkanes/cyclononane.sml usr/share/atomes/library/molecules/Cyclic_alkanes/cyclooctane.sml usr/share/atomes/library/molecules/Cyclic_alkanes/cyclopentane.sml usr/share/atomes/library/molecules/Cyclic_alkanes/cyclopropane.sml usr/share/atomes/library/molecules/Cyclic_alkanes/norbornane.sml usr/share/atomes/library/molecules/Cyclic_alkanes/r-camphor.sml usr/share/atomes/library/molecules/Cyclic_alkanes/trans-decahydronaphthalene.sml usr/share/atomes/library/molecules/Cyclic_alkenes usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohepta-1_3-diene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohepta-1_3_5-triene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohepta-1_4-diene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohexa-1_3-diene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohexa-1_4-diene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/cyclohexene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/cycloocta-1_3-diene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/cycloocta-1_3_5-triene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/cycloocta-1_3_5_7-tetraene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/cycloocta-1_3_6-triene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/cyclopenta-1_3-diene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/cyclopentene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/e-cyclooctene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/z-cycloheptene.sml usr/share/atomes/library/molecules/Cyclic_alkenes/z-cyclooctene.sml usr/share/atomes/library/molecules/Cyclic_sugars usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-allopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-arabinopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-fucopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-galactopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-galacturonopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-glucopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-glucuronopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-gulopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-idopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-lyxopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-mannopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-psicopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-rhamnopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-ribopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-tagatopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-talopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-d-xylopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-arabinopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-fucopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-galactopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-lyxopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-rhamnopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-ribopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-sorbopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/alpha-l-xylopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-allopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-arabinopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-fructopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-fucopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-galactopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-glucopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-gulopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-idopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-lyxopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-mannopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-rhamnopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-ribopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-tagatopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-talopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-d-xylopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-l-arabinopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-l-lyxopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-l-ribopyranose.sml usr/share/atomes/library/molecules/Cyclic_sugars/beta-l-xylopyranose.sml usr/share/atomes/library/molecules/Ethers usr/share/atomes/library/molecules/Ethers/1_4-dioxane.sml usr/share/atomes/library/molecules/Ethers/di-tert-butylether.sml usr/share/atomes/library/molecules/Ethers/dibutylether.sml usr/share/atomes/library/molecules/Ethers/diethylether.sml usr/share/atomes/library/molecules/Ethers/diisopropylether.sml usr/share/atomes/library/molecules/Ethers/dimethylether.sml usr/share/atomes/library/molecules/Ethers/dipropylether.sml usr/share/atomes/library/molecules/Ethers/ethylmethylether.sml usr/share/atomes/library/molecules/Ethers/tetrahydrofuran.sml usr/share/atomes/library/molecules/Ethers/tetrahydropyran.sml usr/share/atomes/library/molecules/Fatty_acids 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