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A1IN3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAWOAVsing1.43Å1.51Å
CAWCAXsing1.53Å1.58Å
OAVCAUsing1.36Å1.39Å
CAXCAYsing1.51Å1.39Å
CAYCAZdoub1.31Å1.38Å
OASCATsing1.43Å1.43Å
OASCARsing1.36Å1.39Å
CAUCARdoub1.39Å1.40ÅAromatic
CAUCBFsing1.39Å1.36ÅAromatic
OBGCBFsing1.36Å1.44Å
OBGCBHsing1.43Å1.43Å
CAZCBAsing1.51Å1.42Å
CARCAQsing1.39Å1.36ÅAromatic
CBFCBIdoub1.39Å1.40ÅAromatic
CBACBBsing1.53Å1.51Å
CAQCAPdoub1.38Å1.41ÅAromatic
CBBOBCsing1.45Å1.48Å
CBICAPsing1.38Å1.44ÅAromatic
CAPCAIsing1.51Å1.42Å
OBCCsing1.34Å1.41Å
CAKCALsing1.53Å1.44Å
CAKCAJsing1.53Å1.57Å
CALCAMsing1.53Å1.51Å
CAICAJsing1.53Å1.55Å
CAICABsing1.51Å1.48Å
CAJCAOsing1.53Å1.51Å
COdoub1.21Å1.21Å
CCAsing1.50Å1.40Å
CAHNsing1.47Å1.51Å
CAHCAGsing1.53Å1.55Å
CABOAAdoub1.21Å1.24Å
CABNsing1.34Å1.39Å
NCAsing1.47Å1.54Å
CAMCANsing1.53Å1.58Å
CACBsing1.53Å1.57Å
CAGCAFsing1.52Å1.47Å
CAFCBsing1.52Å1.54Å
CAOCANsing1.53Å1.49Å
CAKHAKsing1.09Å1.10Å
CAKHB6sing1.09Å1.10Å
CALHALsing1.09Å1.10Å
CALHB7sing1.09Å1.10Å
CAMHAMsing1.09Å1.10Å
CAMHB8sing1.09Å1.10Å
CANHANsing1.09Å1.10Å
CANHB9sing1.09Å1.10Å
CAOHCAsing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAJHAJsing1.09Å1.10Å
CAIHAIsing1.09Å1.10Å
CAHHAHsing1.09Å1.10Å
CAHHB5sing1.09Å1.10Å
CAGHAGsing1.09Å1.10Å
CAGHB4sing1.09Å1.10Å
CAFHAFsing1.09Å1.10Å
CAFHB3sing1.09Å1.10Å
CBHB2sing1.09Å1.10Å
CBHB1sing1.09Å1.10Å
CAHAsing1.09Å1.10Å
CBBHCGsing1.09Å1.10Å
CBBHBBsing1.09Å1.10Å
CBAHCFsing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
CAZHAZsing1.08Å1.08Å
CAYHAYsing1.08Å1.08Å
CAXHCEsing1.09Å1.10Å
CAXHAXsing1.09Å1.10Å
CAWHCDsing1.09Å1.10Å
CAWHAWsing1.09Å1.10Å
CATHCCsing1.09Å1.10Å
CATHATsing1.09Å1.10Å
CATHCBsing1.09Å1.10Å
CAQHAQsing1.08Å1.08Å
CBIHBIsing1.08Å1.08Å
CBHHCIsing1.09Å1.10Å
CBHHBHsing1.09Å1.10Å
CBHHCHsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAVCAWCAX111.0°109.4°
CAWOAVCAU121.9°116.1°
OAVCAWHCD109.1°109.4°
OAVCAWHAW109.1°109.5°
CAWCAXCAY103.7°109.6°
CAWCAXHCE110.9°109.5°
CAWCAXHAX110.9°109.4°
CAXCAWHCD109.1°109.5°
CAXCAWHAW109.1°109.5°
OAVCAUCAR117.8°120.2°
OAVCAUCBF119.7°120.1°
CAXCAYCAZ118.2°120.0°
CAXCAYHAY120.9°120.0°
CAYCAXHCE110.9°109.4°
CAYCAXHAX110.9°109.4°
CAYCAZCBA121.1°119.8°
CAYCAZHAZ119.5°120.0°
CAZCAYHAY120.9°120.0°
CATOASCAR117.9°117.0°
OASCATHCC109.5°109.5°
OASCATHAT109.5°109.5°
OASCATHCB109.5°109.5°
OASCARCAU114.1°120.0°
OASCARCAQ124.3°120.1°
CARCAUCBF122.5°119.8°
CAUCARCAQ121.6°119.8°
CAUCBFOBG115.3°120.0°
CAUCBFCBI116.7°120.0°
CBFOBGCBH114.5°117.0°
OBGCBFCBI128.0°120.0°
OBGCBHHCI109.5°109.4°
OBGCBHHBH109.5°109.5°
OBGCBHHCH109.5°109.5°
CAZCBACBB106.0°110.0°
CAZCBAHCF110.3°109.4°
CAZCBAHBA110.3°109.3°
CBACAZHAZ119.4°120.2°
CARCAQCAP119.0°120.2°
CARCAQHAQ120.5°119.9°
CBFCBICAP122.1°119.9°
CBFCBIHBI118.9°120.0°
CBACBBOBC106.2°110.3°
CBACBBHCG110.3°109.3°
CBACBBHBB110.3°109.2°
CBBCBAHCF110.3°109.3°
CBBCBAHBA110.3°109.4°
CAQCAPCBI118.0°120.2°
CAQCAPCAI119.8°119.6°
CAPCAQHAQ120.5°119.9°
CBBOBCC113.0°117.6°
OBCCBBHCG110.3°109.4°
OBCCBBHBB110.3°109.3°
CBICAPCAI122.1°120.1°
CAPCBIHBI119.0°120.0°
CAPCAICAJ114.2°109.9°
CAPCAICAB110.6°107.1°
CAPCAIHAI107.6°110.0°
OBCCO121.1°119.7°
OBCCCA119.0°120.6°
CALCAKCAJ108.4°109.5°
CAKCALCAM115.1°109.5°
CALCAKHAK109.7°109.5°
CALCAKHB6109.7°109.5°
CAKCALHAL108.0°109.4°
CAKCALHB7108.1°109.5°
CAKCAJCAI110.7°109.5°
CAKCAJCAO110.4°109.5°
CAJCAKHAK109.8°109.4°
CAJCAKHB6109.7°109.5°
CAKCAJHAJ108.2°109.4°
CALCAMCAN105.6°109.5°
CAMCALHAL108.1°109.5°
CAMCALHB7108.0°109.5°
CALCAMHAM110.4°109.4°
CALCAMHB8110.4°109.5°
CAJCAICAB111.0°109.9°
CAICAJCAO110.4°109.5°
CAICAJHAJ108.3°109.5°
CAJCAIHAI106.1°109.9°
CAICABOAA117.9°119.0°
CAICABN120.4°122.0°
CABCAIHAI106.9°109.9°
CAJCAOCAN107.5°109.5°
CAJCAOHCA109.9°109.5°
CAJCAOHAO109.9°109.4°
CAOCAJHAJ108.8°109.4°
OCCA119.8°119.7°
CCAN106.8°109.9°
CCACB112.0°109.5°
CCAHA109.4°109.8°
NCAHCAG112.0°109.4°
CAHNCAB119.9°121.0°
CAHNCA115.9°119.2°
NCAHHAH108.8°109.5°
NCAHHB5108.8°109.5°
CAHCAGCAF108.0°112.5°
CAGCAHHAH108.8°109.4°
CAGCAHHB5108.9°109.5°
CAHCAGHAG109.8°108.8°
CAHCAGHB4109.8°108.8°
OAACABN121.6°119.0°
CABNCA123.8°119.7°
NCACB113.8°109.0°
NCAHA107.5°109.3°
CAMCANCAO110.2°109.5°
CANCAMHAM110.4°109.5°
CANCAMHB8110.4°109.5°
CAMCANHAN109.3°109.5°
CAMCANHB9109.3°109.4°
CACBCAF107.3°110.0°
CACBHB2110.0°109.4°
CACBHB1110.0°109.3°
CBCAHA107.2°109.3°
CAGCAFCB109.7°112.9°
CAFCAGHAG109.9°108.9°
CAFCAGHB4109.8°108.9°
CAGCAFHAF109.4°108.8°
CAGCAFHB3109.4°108.8°
CBCAFHAF109.4°108.8°
CBCAFHB3109.4°108.9°
CAFCBHB2110.0°109.3°
CAFCBHB1110.0°109.3°
CAOCANHAN109.3°109.5°
CAOCANHB9109.3°109.5°
CANCAOHCA109.9°109.5°
CANCAOHAO110.0°109.5°
HAKCAKHB6109.5°109.5°
HALCALHB7109.5°109.5°
HAMCAMHB8109.5°109.4°
HANCANHB9109.5°109.5°
HCACAOHAO109.5°109.4°
HAHCAHHB5109.5°109.5°
HAGCAGHB4109.4°108.8°
HAFCAFHB3109.4°108.7°
HB2CBHB1109.5°109.4°
HCGCBBHBB109.5°109.4°
HCFCBAHBA109.5°109.3°
HCECAXHAX109.5°109.5°
HCDCAWHAW109.5°109.5°
HCCCATHAT109.5°109.5°
HCCCATHCB109.5°109.5°
HATCATHCB109.5°109.5°
HCICBHHBH109.5°109.4°
HCICBHHCH109.5°109.5°
HBHCBHHCH109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAVCAWCAXHCD120.2°119.9°
OAVCAWCAXHAW120.2°120.0°
OAVCAWCAXCAY50.1°102.3°
CAWOAVCAUCAR121.6°105.0°
CAWOAVCAUCBF57.6°75.5°
OAVCAWCAXHCE69.0°17.7°
OAVCAWCAXHAX169.1°137.7°
OAVCAWHCDHAW119.3°120.1°
CAXCAWOAVCAU32.6°45.7°
CAWCAXCAYHCE119.1°120.1°
CAWCAXCAYHAX119.1°120.0°
CAWCAXCAYCAZ150.7°159.6°
CAWCAXCAYHAY29.3°19.8°
CAWCAXHCEHAX122.7°119.9°
CAXCAWHCDHAW119.3°120.1°
OAVCAUCAROAS0.0°2.6°
OAVCAUCARCBF179.1°179.6°
OAVCAUCBFOBG0.4°2.3°
OAVCAUCARCAQ179.7°177.4°
OAVCAUCBFCBI179.6°177.8°
CAUOAVCAWHCD87.6°165.6°
CAUOAVCAWHAW152.8°74.3°
CAXCAYCAZHAY180.0°179.4°
CAXCAYCAZCBA171.0°178.2°
CAXCAYCAZHAZ9.0°2.0°
CAYCAXHCEHAX122.6°120.0°
CAYCAXCAWHCD170.3°137.8°
CAYCAXCAWHAW70.2°17.7°
CAYCAZCBAHAZ180.0°179.8°
CAYCAZCBACBB174.7°179.1°
CAYCAZCBAHCF55.3°59.0°
CAYCAZCBAHBA65.8°60.7°
CAZCAYCAXHCE31.6°39.5°
CAZCAYCAXHAX90.2°80.5°
CATOASCARCAU167.6°180.0°
CATOASCARCAQ12.8°0.0°
OASCATHCCHAT120.0°120.0°
OASCATHCCHCB120.0°120.0°
OASCATHATHCB120.0°120.0°
OASCARCAUCAQ179.7°180.0°
OASCARCAUCBF179.1°177.0°
OASCARCAQCAP177.8°179.4°
CAROASCATHCC180.0°60.0°
CAROASCATHAT60.0°180.0°
CAROASCATHCB60.0°60.0°
OASCARCAQHAQ2.2°0.6°
CARCAUCBFOBG179.5°177.3°
CARCAUCBFCBI0.5°2.6°
CAUCARCAQCAP1.8°0.6°
CAUCARCAQHAQ178.2°179.4°
CAUCBFOBGCBI179.9°179.9°
CAUCBFOBGCBH170.6°180.0°
CBFCAUCARCAQ0.6°3.1°
CAUCBFCBICAP1.7°0.2°
CAUCBFCBIHBI178.4°179.8°
OBGCBFCBICAP178.2°179.9°
OBGCBFCBIHBI1.7°0.1°
CBFOBGCBHHCI180.0°180.0°
CBFOBGCBHHBH60.0°60.0°
CBFOBGCBHHCH60.0°60.0°
CBHOBGCBFCBI9.5°0.1°
OBGCBHHCIHBH120.0°119.9°
OBGCBHHCIHCH120.0°120.0°
OBGCBHHBHHCH120.0°120.0°
CAZCBACBBHCF119.4°120.2°
CAZCBACBBHBA119.4°120.1°
CAZCBACBBOBC74.4°78.6°
CAZCBACBBHCG45.0°41.6°
CAZCBACBBHBB166.1°161.3°
CAZCBAHCFHBA121.6°119.7°
CBACAZCAYHAY9.0°1.2°
CARCAQCAPHAQ180.0°180.0°
CARCAQCAPCBI2.9°2.2°
CARCAQCAPCAI179.4°176.2°
CBFCBICAPCAQ2.9°2.7°
CBFCBICAPHBI180.0°180.0°
CBFCBICAPCAI179.3°175.8°
CBACBBOBCHCG119.5°120.2°
CBACBBOBCHBB119.5°120.0°
CBACBBOBCC160.0°102.1°
CBACBBHCGHBB121.5°119.5°
CBBCBAHCFHBA121.6°119.8°
CBBCBACAZHAZ5.3°0.8°
CAQCAPCBICAI176.4°178.4°
CAQCAPCAICAJ70.7°45.2°
CAQCAPCAICAB55.4°74.2°
CAQCAPCAIHAI171.8°166.4°
CAQCAPCBIHBI177.1°177.4°
CBBOBCCO2.1°5.4°
CBBOBCCCA178.5°174.6°
OBCCBBHCGHBB121.5°119.7°
OBCCBBCBAHCF166.1°161.2°
OBCCBBCBAHBA45.0°41.5°
CBICAPCAICAJ105.7°136.4°
CBICAPCAICAB128.3°104.2°
CBICAPCAIHAI11.9°15.2°
CBICAPCAQHAQ177.1°177.7°
CAPCAICAJCAK41.9°55.2°
CAPCAICAJCAB125.8°117.7°
CAPCAICAJHAI118.4°121.2°
CAPCAICABHAI116.9°119.5°
CAPCAICAJCAO164.5°175.3°
CAPCAICABOAA96.6°23.1°
CAPCAICABN80.2°156.9°
CAPCAICAJHAJ76.5°64.8°
CAICAPCAQHAQ0.6°3.8°
CAICAPCBIHBI0.7°4.2°
OBCCOCA176.4°180.0°
OBCCCAN4.2°75.8°
OBCCCACB121.0°164.5°
OBCCCAHA120.3°44.5°
COBCCBBHCG80.5°137.7°
COBCCBBHBB40.6°17.9°
CALCAKCAJHAK119.8°120.0°
CALCAKCAJHB6119.8°120.1°
CAKCALCAMHAL120.8°119.9°
CAKCALCAMHB7120.8°120.0°
CALCAKCAJCAI179.6°180.0°
CALCAKCAJCAO57.1°59.9°
CAKCALCAMCAN59.4°60.0°
CALCAKHAKHB6120.5°120.0°
CAKCALHALHB7117.5°120.0°
CAKCALCAMHAM178.7°180.0°
CAKCALCAMHB860.0°60.1°
CALCAKCAJHAJ61.8°60.0°
CAJCAKCALCAM58.3°60.0°
CAKCAJCAICAO122.5°120.0°
CAKCAJCAIHAJ118.4°120.0°
CAKCAJCAICAB167.8°172.9°
CAKCAJCAOHAJ118.5°119.9°
CAKCAJCAOCAN60.5°60.0°
CAJCAKHAKHB6120.5°120.0°
CAJCAKCALHAL62.5°60.0°
CAJCAKCALHB7179.1°180.0°
CAKCAJCAOHCA59.2°180.0°
CAKCAJCAOHAO179.8°60.1°
CAKCAJCAIHAI76.5°66.0°
CALCAMCANHAM119.4°120.0°
CALCAMCANHB8119.4°120.1°
CALCAMCANCAO60.4°60.0°
CAMCALCAKHAK61.6°60.0°
CAMCALCAKHB6178.1°180.0°
CAMCALHALHB7117.5°120.1°
CALCAMHAMHB8121.8°120.0°
CALCAMCANHAN59.7°60.0°
CALCAMCANHB9179.5°179.9°
CAJCAICABHAI115.3°121.1°
CAICAJCAOHAJ118.7°120.0°
CAJCAICABOAA31.2°96.3°
CAJCAICABN152.0°83.7°
CAICAJCAOCAN176.8°180.0°
CAICAJCAKHAK59.8°60.0°
CAICAJCAKHB660.5°60.0°
CAICAJCAOHCA63.6°60.0°
CAICAJCAOHAO57.0°60.0°
CABCAICAJCAO69.7°67.1°
CAICABNCAH5.7°5.6°
CAICABOAAN176.8°180.0°
CAICABNCA178.5°174.7°
CABCAICAJHAJ49.3°52.9°
CAJCAOCANCAM63.2°60.0°
CAJCAOCANHCA119.7°120.0°
CAJCAOCANHAO119.7°120.0°
CAOCAJCAKHAK62.7°60.0°
CAOCAJCAKHB6177.0°180.0°
CAJCAOCANHAN56.9°60.0°
CAJCAOCANHB9176.6°180.0°
CAJCAOHCAHAO120.9°120.0°
CAOCAJCAIHAI46.1°54.0°
OCCAN179.3°104.2°
OCCACB55.4°15.5°
OCCAHA63.3°135.5°
CCANCAH84.9°129.1°
CCANCAB88.2°51.1°
CCANCB124.1°120.0°
CCANHA117.3°120.6°
CCACBHA120.0°120.3°
CCACBCAF73.4°177.9°
CCACBHB246.3°61.9°
CCACBHB1167.0°57.9°
NCAHCAGHAH120.4°120.0°
NCAHCAGHB5120.4°120.0°
CAHNCABOAA171.0°174.4°
CAHNCABCA172.9°179.7°
CAHNCACB39.2°9.1°
NCAHCAGCAF57.0°52.5°
NCAHHAHHB5118.8°120.0°
NCAHCAGHAG62.8°68.2°
NCAHCAGHB4176.8°173.3°
CAHNCAHA157.8°110.3°
CAGCAHNCAB144.3°134.1°
CAGCAHNCA42.3°45.6°
CAHCAGCAFHAG119.8°120.8°
CAHCAGCAFHB4119.8°120.8°
CAHCAGCAFCB69.9°5.6°
CAGCAHHAHHB5118.9°120.0°
CAHCAGHAGHB4120.7°118.5°
CAHCAGCAFHAF170.0°126.5°
CAHCAGCAFHB350.1°115.3°
OAACABNCA1.9°5.3°
OAACABCAIHAI146.5°142.6°
CABNCACB147.6°171.1°
NCABCAIHAI36.7°37.4°
CABNCAHHAH23.9°14.1°
CABNCAHHB595.3°105.9°
CABNCAHA29.0°69.5°
NCACBHA118.8°119.4°
NCACBCAF47.9°57.7°
CANCAHHAH162.6°165.6°
CANCAHHB578.1°74.4°
NCACBHB2167.5°177.8°
NCACBHB171.8°62.4°
CAMCANCAOHAN120.1°120.0°
CAMCANCAOHB9120.1°120.0°
CANCAMCALHAL61.4°59.9°
CANCAMCALHB7179.8°180.0°
CANCAMHAMHB8121.8°120.0°
CAMCANHANHB9119.7°119.9°
CAMCANCAOHCA56.5°180.0°
CAMCANCAOHAO177.1°60.0°
CACBCAFCAG65.1°49.8°
CACBCAFHB2119.7°120.2°
CACBCAFHB1119.7°120.0°
CACBCAFHAF174.9°71.1°
CACBCAFHB355.0°170.7°
CACBHB2HB1121.0°119.7°
CAGCAFCBHAF120.0°120.8°
CAGCAFCBHB3120.1°120.9°
CAFCAGCAHHAH177.3°172.5°
CAFCAGCAHHB563.4°67.5°
CAFCAGHAGHB4120.7°118.5°
CAGCAFHAFHB3119.9°118.3°
CAGCAFCBHB2175.3°170.0°
CAGCAFCBHB154.6°70.2°
CBCAFCAGHAG49.8°115.1°
CBCAFCAGHB4170.3°126.4°
CBCAFHAFHB3119.9°118.4°
CAFCBHB2HB1121.0°119.7°
CAFCBCAHA166.7°61.7°
CAOCANCAMHAM179.8°180.0°
CAOCANCAMHB859.0°60.0°
CAOCANHANHB9119.7°120.1°
CANCAOHCAHAO120.9°120.0°
CANCAOCAJHAJ58.0°60.0°
HAKCAKCALHAL177.6°180.0°
HAKCAKCALHB759.2°60.0°
HAKCAKCAJHAJ178.3°180.0°
HB6CAKCALHAL57.3°60.0°
HB6CAKCALHB761.1°59.9°
HB6CAKCAJHAJ58.0°60.0°
HALCALCAMHAM57.9°60.0°
HALCALCAMHB8179.2°180.0°
HB7CALCAMHAM60.4°60.0°
HB7CALCAMHB860.8°60.0°
HAMCAMCANHAN59.7°60.0°
HAMCAMCANHB960.1°60.0°
HB8CAMCANHAN179.1°180.0°
HB8CAMCANHB961.1°60.0°
HANCANCAOHCA176.6°60.0°
HANCANCAOHAO62.8°180.0°
HB9CANCAOHCA63.7°60.0°
HB9CANCAOHAO57.0°60.0°
HCACAOCAJHAJ177.7°60.1°
HAOCAOCAJHAJ61.7°180.0°
HAJCAJCAIHAI165.1°174.0°
HAHCAHCAGHAG57.5°51.8°
HAHCAHCAGHB462.9°66.7°
HB5CAHCAGHAG176.8°171.8°
HB5CAHCAGHB456.4°53.3°
HAGCAGCAFHAF70.2°5.8°
HAGCAGCAFHB3169.9°124.0°
HB4CAGCAFHAF50.2°112.7°
HB4CAGCAFHB369.7°5.5°
HAFCAFCBHB255.2°49.1°
HAFCAFCBHB165.4°168.9°
HB3CAFCBHB264.7°69.1°
HB3CAFCBHB1174.7°50.6°
HB2CBCAHA73.7°58.4°
HB1CBCAHA47.0°178.2°
HCGCBBCBAHCF74.4°78.5°
HCGCBBCBAHBA164.5°161.7°
HBBCBBCBAHCF46.7°41.1°
HBBCBBCBAHBA74.5°78.6°
HCFCBACAZHAZ124.7°120.9°
HBACBACAZHAZ114.2°119.4°
HAZCAZCAYHAY171.0°178.7°
HAYCAYCAXHCE148.4°139.9°
HAYCAYCAXHAX89.8°100.2°
HCECAXCAWHCD51.2°102.2°
HCECAXCAWHAW170.8°137.7°
HAXCAXCAWHCD70.6°17.8°
HAXCAXCAWHAW48.9°102.3°
HCCCATHATHCB120.0°120.0°
HCICBHHBHHCH120.0°120.1°

248335

PDB entries from 2026-01-28

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