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A1IN1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAWCAXsing1.53Å1.48Å
CAWOAVsing1.43Å1.46Å
CAXCAYsing1.53Å1.56Å
CAYOAZsing1.43Å1.48Å
OAVCAUsing1.36Å1.40Å
OAZCBAsing1.43Å1.50Å
OASCATsing1.43Å1.42Å
OASCARsing1.36Å1.37Å
CBACBBsing1.51Å1.44Å
CAUCARdoub1.39Å1.42ÅAromatic
CAUCBHsing1.39Å1.38ÅAromatic
OBICBJsing1.43Å1.44Å
OBICBHsing1.36Å1.37Å
CARCAQsing1.39Å1.39ÅAromatic
CBHCBKdoub1.39Å1.40ÅAromatic
CBBCBCdoub1.31Å1.40Å
CBCCBDsing1.51Å1.37Å
CAQCAPdoub1.38Å1.41ÅAromatic
CBKCAPsing1.38Å1.40ÅAromatic
CBDOBEsing1.45Å1.43Å
CAPCAIsing1.51Å1.46Å
OBECsing1.34Å1.36Å
CAKCALsing1.53Å1.45Å
CAKCAJsing1.53Å1.56Å
CALCAMsing1.53Å1.50Å
CAICAJsing1.53Å1.57Å
CAICABsing1.51Å1.44Å
CAJCAOsing1.53Å1.54Å
COdoub1.21Å1.21Å
CCAsing1.50Å1.44Å
CABOAAdoub1.21Å1.26Å
CABNsing1.34Å1.38Å
CAHNsing1.47Å1.55Å
CAHCAGsing1.53Å1.54Å
NCAsing1.47Å1.52Å
CAMCANsing1.53Å1.61Å
CACBsing1.53Å1.56Å
CAGCAFsing1.52Å1.42Å
CAFCBsing1.52Å1.52Å
CAOCANsing1.53Å1.50Å
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
CBDHCHsing1.09Å1.10Å
CBDHBDsing1.09Å1.10Å
CBCHBCsing1.08Å1.08Å
CBBHBBsing1.08Å1.08Å
CBAHCGsing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
CAYHCFsing1.09Å1.10Å
CAYHAYsing1.09Å1.10Å
CAXHCEsing1.09Å1.10Å
CAXHAXsing1.09Å1.10Å
CAWHAWsing1.09Å1.10Å
CAWHCDsing1.09Å1.10Å
CATHCCsing1.09Å1.10Å
CATHATsing1.09Å1.10Å
CATHCBsing1.09Å1.10Å
CAQHAQsing1.08Å1.08Å
CBKHBKsing1.08Å1.08Å
CBJHCJsing1.09Å1.10Å
CBJHBJsing1.09Å1.10Å
CBJHCIsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAXCAWOAV103.9°109.5°
CAWCAXCAY105.9°109.6°
CAWCAXHCE110.4°109.4°
CAWCAXHAX110.3°109.4°
CAXCAWHAW110.8°109.5°
CAXCAWHCD110.8°109.5°
CAWOAVCAU133.6°116.8°
OAVCAWHAW110.8°109.5°
OAVCAWHCD110.9°109.5°
CAXCAYOAZ108.0°109.6°
CAXCAYHCF109.8°109.4°
CAXCAYHAY109.8°109.5°
CAYCAXHCE110.4°109.4°
CAYCAXHAX110.4°109.5°
CAYOAZCBA116.9°114.3°
OAZCAYHCF109.9°109.4°
OAZCAYHAY109.8°109.5°
OAVCAUCAR127.7°120.1°
OAVCAUCBH113.5°120.1°
OAZCBACBB107.9°109.9°
OAZCBAHCG109.8°109.4°
OAZCBAHBA109.9°109.3°
CATOASCAR120.6°117.0°
OASCATHCC109.5°109.4°
OASCATHAT109.5°109.5°
OASCATHCB109.5°109.4°
OASCARCAU120.0°120.1°
OASCARCAQ119.9°120.0°
CBACBBCBC122.7°120.2°
CBACBBHBB118.6°120.0°
CBBCBAHCG109.9°109.4°
CBBCBAHBA109.8°109.4°
CARCAUCBH118.7°119.8°
CAUCARCAQ120.0°119.9°
CAUCBHOBI111.3°120.0°
CAUCBHCBK121.6°119.9°
CBJOBICBH118.4°117.0°
OBICBJHCJ109.5°109.5°
OBICBJHBJ109.5°109.5°
OBICBJHCI109.5°109.4°
OBICBHCBK127.1°120.1°
CARCAQCAP120.9°120.1°
CARCAQHAQ119.5°120.0°
CBHCBKCAP120.0°120.0°
CBHCBKHBK120.0°119.9°
CBBCBCCBD120.3°119.9°
CBBCBCHBC119.8°119.8°
CBCCBBHBB118.6°119.8°
CBCCBDOBE116.0°110.3°
CBCCBDHCH107.8°109.3°
CBCCBDHBD107.8°109.2°
CBDCBCHBC119.9°120.2°
CAQCAPCBK118.7°120.2°
CAQCAPCAI121.1°119.8°
CAPCAQHAQ119.5°119.9°
CBKCAPCAI120.2°119.9°
CAPCBKHBK120.0°120.0°
CBDOBEC124.6°117.0°
OBECBDHCH107.8°109.4°
OBECBDHBD107.8°109.3°
CAPCAICAJ110.8°109.6°
CAPCAICAB113.9°108.7°
CAPCAIHAI108.1°109.8°
OBECO119.3°119.8°
OBECCA117.8°120.3°
CALCAKCAJ107.3°109.5°
CAKCALCAM114.5°109.5°
CALCAKHAK110.0°109.5°
CALCAKHB6110.0°109.5°
CAKCALHAL108.2°109.4°
CAKCALHB7108.2°109.4°
CAKCAJCAI109.9°109.5°
CAKCAJCAO111.2°109.5°
CAJCAKHAK110.0°109.4°
CAJCAKHB6110.0°109.5°
CAKCAJHAJ108.1°109.4°
CALCAMCAN107.7°109.5°
CAMCALHAL108.2°109.5°
CAMCALHB7108.2°109.5°
CALCAMHAM109.9°109.5°
CALCAMHB8109.9°109.5°
CAJCAICAB108.8°109.6°
CAICAJCAO111.2°109.5°
CAICAJHAJ108.0°109.4°
CAJCAIHAI106.7°109.6°
CAICABOAA120.5°119.6°
CAICABN119.6°120.8°
CABCAIHAI108.3°109.6°
CAJCAOCAN107.5°109.5°
CAJCAOHCA110.0°109.5°
CAJCAOHAO110.0°109.5°
CAOCAJHAJ108.3°109.5°
OCCA121.6°119.9°
CCAN108.7°109.9°
CCACB111.4°109.4°
CCAHA110.6°109.8°
OAACABN119.9°119.6°
CABNCAH121.5°120.6°
CABNCA120.9°120.2°
NCAHCAG114.4°109.3°
CAHNCA117.1°119.2°
NCAHHAH108.2°109.5°
NCAHHB5108.2°109.5°
CAHCAGCAF103.9°112.5°
CAGCAHHAH108.2°109.5°
CAGCAHHB5108.2°109.5°
CAHCAGHAG110.9°108.9°
CAHCAGHB4110.8°108.9°
NCACB107.6°108.9°
NCAHA109.4°109.5°
CAMCANCAO108.9°109.5°
CANCAMHAM109.9°109.5°
CANCAMHB8109.9°109.5°
CAMCANHAN109.6°109.5°
CAMCANHB9109.6°109.4°
CACBCAF110.4°110.1°
CACBHB2109.2°109.4°
CACBHB1109.2°109.2°
CBCAHA109.0°109.3°
CAGCAFCB111.0°112.8°
CAFCAGHAG110.8°108.9°
CAFCAGHB4110.9°108.9°
CAGCAFHAF109.1°108.9°
CAGCAFHB3109.1°108.8°
CBCAFHAF109.1°108.8°
CBCAFHB3109.1°108.8°
CAFCBHB2109.2°109.4°
CAFCBHB1109.3°109.4°
CAOCANHAN109.6°109.5°
CAOCANHB9109.6°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°
HAFCAFHB3109.5°108.7°
HB2CBHB1109.5°109.3°
HCHCBDHBD109.5°109.3°
HCGCBAHBA109.5°109.4°
HCFCAYHAY109.5°109.4°
HCECAXHAX109.4°109.5°
HAWCAWHCD109.5°109.5°
HCCCATHAT109.5°109.5°
HCCCATHCB109.5°109.5°
HATCATHCB109.5°109.5°
HCJCBJHBJ109.5°109.5°
HCJCBJHCI109.5°109.5°
HBJCBJHCI109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAXCAWOAVHAW119.1°120.0°
CAXCAWOAVHCD119.1°120.0°
CAWCAXCAYHCE119.5°120.0°
CAWCAXCAYHAX119.5°120.0°
CAWCAXCAYOAZ123.2°127.0°
CAXCAWOAVCAU83.3°65.3°
CAWCAXCAYHCF117.0°113.0°
CAWCAXCAYHAY3.5°6.9°
CAWCAXHCEHAX121.6°119.9°
CAXCAWHAWHCD122.6°120.0°
OAVCAWCAXCAY120.8°138.4°
CAWOAVCAUCAR60.5°111.2°
CAWOAVCAUCBH121.9°68.8°
OAVCAWCAXHCE1.4°18.4°
OAVCAWCAXHAX119.7°101.6°
OAVCAWHAWHCD122.6°120.0°
CAXCAYOAZHCF119.8°120.0°
CAXCAYOAZHAY119.8°120.1°
CAXCAYOAZCBA159.3°156.7°
CAXCAYHCFHAY120.6°120.0°
CAYCAXHCEHAX121.6°120.0°
CAYCAXCAWHAW1.8°101.6°
CAYCAXCAWHCD120.0°18.4°
CAYOAZCBACBB105.7°165.5°
CAYOAZCBAHCG134.5°74.3°
CAYOAZCBAHBA14.0°45.4°
OAZCAYHCFHAY120.7°119.9°
OAZCAYCAXHCE3.8°7.0°
OAZCAYCAXHAX117.3°113.0°
OAVCAUCAROAS1.7°1.1°
OAVCAUCARCBH177.5°180.0°
OAVCAUCBHOBI0.8°1.1°
OAVCAUCARCAQ175.4°178.8°
OAVCAUCBHCBK177.3°179.0°
CAUOAVCAWHAW35.9°174.7°
CAUOAVCAWHCD157.6°54.6°
OAZCBACBBHCG119.7°120.1°
OAZCBACBBHBA119.8°120.0°
OAZCBACBBCBC127.8°62.8°
OAZCBACBBHBB52.2°117.9°
OAZCBAHCGHBA120.7°119.7°
CBAOAZCAYHCF81.0°36.7°
CBAOAZCAYHAY39.5°83.3°
CATOASCARCAU116.5°180.0°
CATOASCARCAQ66.4°0.1°
OASCATHCCHAT120.0°120.0°
OASCATHCCHCB120.0°119.9°
OASCATHATHCB120.0°119.9°
OASCARCAUCAQ177.1°179.9°
OASCARCAUCBH179.1°178.8°
OASCARCAQCAP179.7°179.8°
CAROASCATHCC180.0°180.0°
CAROASCATHAT60.0°59.9°
CAROASCATHCB60.0°60.0°
OASCARCAQHAQ0.3°0.1°
CBACBBCBCHBB180.0°179.3°
CBACBBCBCCBD172.6°178.3°
CBACBBCBCHBC7.4°1.3°
CBBCBAHCGHBA120.7°119.9°
CARCAUCBHOBI178.6°178.9°
CARCAUCBHCBK0.5°1.1°
CAUCARCAQCAP3.2°0.3°
CAUCARCAQHAQ176.7°179.8°
CAUCBHOBICBJ171.6°180.0°
CAUCBHOBICBK178.0°179.9°
CBHCAUCARCAQ2.1°1.2°
CAUCBHCBKCAP0.0°0.0°
CAUCBHCBKHBK180.0°180.0°
CBJOBICBHCBK6.4°0.0°
OBICBJHCJHBJ120.0°120.0°
OBICBJHCJHCI120.0°120.0°
OBICBJHBJHCI120.0°119.9°
OBICBHCBKCAP177.8°180.0°
OBICBHCBKHBK2.2°0.1°
CBHOBICBJHCJ180.0°60.0°
CBHOBICBJHBJ60.0°60.0°
CBHOBICBJHCI60.0°180.0°
CARCAQCAPHAQ180.0°179.9°
CARCAQCAPCBK2.7°0.8°
CARCAQCAPCAI179.1°178.6°
CBHCBKCAPCAQ1.1°1.0°
CBHCBKCAPHBK180.0°180.0°
CBHCBKCAPCAI179.3°178.5°
CBBCBCCBDHBC180.0°179.6°
CBBCBCCBDOBE36.1°97.7°
CBBCBCCBDHCH157.0°22.6°
CBBCBCCBDHBD84.9°142.1°
CBCCBBCBAHCG112.4°177.1°
CBCCBBCBAHBA8.1°57.2°
CBCCBDOBEHCH120.9°120.2°
CBCCBDOBEHBD120.9°120.1°
CBCCBDOBEC131.6°111.6°
CBCCBDHCHHBD117.1°119.4°
CBDCBCCBBHBB7.4°1.0°
CAQCAPCBKCAI178.2°179.4°
CAQCAPCAICAJ72.4°38.9°
CAQCAPCAICAB50.7°80.9°
CAQCAPCAIHAI171.0°159.3°
CAQCAPCBKHBK178.9°179.1°
CBKCAPCAICAJ105.7°141.6°
CBKCAPCAICAB131.2°98.6°
CBKCAPCAIHAI10.9°21.2°
CBKCAPCAQHAQ177.2°179.1°
CBDOBECO46.4°6.2°
CBDOBECCA146.4°173.8°
OBECBDHCHHBD117.0°119.7°
OBECBDCBCHBC143.9°82.7°
CAPCAICAJCAK45.9°51.7°
CAPCAICAJCAB126.0°119.2°
CAPCAICAJHAI117.4°120.5°
CAPCAICABHAI120.2°119.9°
CAPCAICAJCAO169.5°171.7°
CAPCAICABOAA93.8°14.2°
CAPCAICABN86.4°165.8°
CAPCAICAJHAJ71.8°68.2°
CAICAPCAQHAQ0.9°1.4°
CAICAPCBKHBK0.7°1.5°
OBECOCA166.7°180.0°
OBECCAN7.1°105.8°
OBECCACB111.4°134.6°
OBECCAHA127.3°14.7°
COBECBDHCH10.7°128.2°
COBECBDHBD107.5°8.5°
CALCAKCAJHAK119.7°119.9°
CALCAKCAJHB6119.7°120.1°
CAKCALCAMHAL120.7°120.0°
CAKCALCAMHB7120.8°120.0°
CALCAKCAJCAI177.4°180.0°
CALCAKCAJCAO59.0°59.9°
CAKCALCAMCAN60.1°60.0°
CALCAKHAKHB6121.0°120.1°
CAKCALHALHB7117.7°119.9°
CAKCALCAMHAM179.9°180.0°
CAKCALCAMHB859.6°60.0°
CALCAKCAJHAJ59.8°60.1°
CAJCAKCALCAM59.6°60.0°
CAKCAJCAICAO123.6°120.0°
CAKCAJCAIHAJ117.6°119.9°
CAKCAJCAICAB171.8°170.9°
CAKCAJCAOHAJ118.6°120.0°
CAKCAJCAOCAN61.4°60.0°
CAJCAKHAKHB6121.0°120.0°
CAJCAKCALHAL61.1°60.1°
CAJCAKCALHB7179.6°180.0°
CAKCAJCAOHCA58.3°180.0°
CAKCAJCAOHAO178.9°60.1°
CAKCAJCAIHAI71.5°68.8°
CALCAMCANHAM119.7°120.0°
CALCAMCANHB8119.7°120.0°
CALCAMCANCAO59.0°60.0°
CAMCALCAKHAK60.0°59.9°
CAMCALCAKHB6179.3°180.0°
CAMCALHALHB7117.7°120.1°
CALCAMHAMHB8120.8°120.0°
CALCAMCANHAN60.9°60.0°
CALCAMCANHB9178.9°180.0°
CAJCAICABHAI115.6°120.2°
CAICAJCAOHAJ118.5°120.0°
CAJCAICABOAA30.4°105.6°
CAJCAICABN149.5°74.4°
CAICAJCAOCAN175.7°180.0°
CAICAJCAKHAK63.0°60.1°
CAICAJCAKHB657.7°59.9°
CAICAJCAOHCA64.6°60.0°
CAICAJCAOHAO56.0°60.0°
CABCAICAJCAO64.5°69.0°
CAICABOAAN179.9°179.9°
CAICABNCAH6.5°0.7°
CAICABNCA178.3°179.2°
CABCAICAJHAJ54.2°51.0°
CAJCAOCANCAM60.3°60.0°
CAJCAOCANHCA119.7°120.0°
CAJCAOCANHAO119.7°120.0°
CAOCAJCAKHAK60.7°60.0°
CAOCAJCAKHB6178.6°179.9°
CAJCAOCANHAN59.7°60.0°
CAJCAOCANHB9179.8°180.0°
CAJCAOHCAHAO120.9°120.0°
CAOCAJCAIHAI52.1°51.2°
OCCAN174.0°74.2°
OCCACB55.6°45.4°
OCCAHA65.8°165.3°
CCANCAB90.1°52.9°
CCANCAH82.0°127.0°
CCANCB120.8°119.9°
CCANHA120.9°120.6°
CCACBHA122.3°120.2°
CCACBCAF68.6°177.2°
CCACBHB251.5°62.6°
CCACBHB1171.2°57.0°
OAACABNCAH173.6°179.2°
OAACABNCA1.9°0.8°
OAACABCAIHAI146.0°134.2°
CABNCAHCA172.0°179.9°
CABNCAHCAG145.3°132.9°
CABNCACB149.1°172.8°
NCABCAIHAI33.8°45.9°
CABNCAHHAH24.6°12.9°
CABNCAHHB593.9°107.1°
CABNCAHA30.8°67.8°
NCAHCAGHAH120.7°119.9°
NCAHCAGHB5120.8°120.0°
CAHNCACB38.8°7.1°
NCAHCAGCAF54.3°52.0°
NCAHHAHHB5117.8°120.0°
NCAHCAGHAG64.8°68.7°
NCAHCAGHB4173.4°172.8°
CAHNCAHA157.1°112.3°
CAGCAHNCA42.6°47.2°
CAHCAGCAFHAG119.1°120.8°
CAHCAGCAFHB4119.1°120.8°
CAHCAGCAFCB69.2°4.0°
CAGCAHHAHHB5117.7°120.1°
CAHCAGHAGHB4122.6°118.5°
CAHCAGCAFHAF170.6°124.8°
CAHCAGCAFHB351.1°116.8°
NCACBHA118.6°119.5°
NCACBCAF50.5°57.0°
CANCAHHAH163.3°167.1°
CANCAHHB578.1°72.8°
NCACBHB2170.6°177.2°
NCACBHB169.7°63.2°
CAMCANCAOHAN119.9°120.0°
CAMCANCAOHB9119.9°119.9°
CANCAMCALHAL60.6°60.0°
CANCAMCALHB7179.1°180.0°
CANCAMHAMHB8120.9°120.0°
CAMCANHANHB9120.3°120.0°
CAMCANCAOHCA59.5°180.0°
CAMCANCAOHAO179.9°60.0°
CACBCAFCAG72.0°51.0°
CACBCAFHB2120.1°120.2°
CACBCAFHB1120.1°120.1°
CACBCAFHAF167.8°69.8°
CACBCAFHB348.3°171.9°
CACBHB2HB1119.6°119.5°
CAGCAFCBHAF120.2°120.9°
CAGCAFCBHB3120.2°120.9°
CAFCAGCAHHAH175.0°171.9°
CAFCAGCAHHB566.5°68.0°
CAFCAGHAGHB4122.5°118.5°
CAGCAFHAFHB3119.3°118.4°
CAGCAFCBHB2167.9°171.3°
CAGCAFCBHB148.2°69.0°
CBCAFCAGHAG50.0°116.8°
CBCAFCAGHB4171.7°124.8°
CBCAFHAFHB3119.3°118.4°
CAFCBHB2HB1119.6°119.8°
CAFCBCAHA169.1°62.6°
CAOCANCAMHAM178.8°180.0°
CAOCANCAMHB860.7°60.0°
CAOCANHANHB9120.3°120.0°
CANCAOHCAHAO120.9°120.1°
CANCAOCAJHAJ57.2°60.0°
HAKCAKCALHAL179.3°180.0°
HAKCAKCALHB760.7°60.1°
HAKCAKCAJHAJ179.5°180.0°
HB6CAKCALHAL58.6°60.0°
HB6CAKCALHB759.9°59.9°
HB6CAKCAJHAJ59.9°60.0°
HALCALCAMHAM59.1°60.0°
HALCALCAMHB8179.7°180.0°
HB7CALCAMHAM59.4°60.0°
HB7CALCAMHB861.2°60.0°
HAMCAMCANHAN58.8°60.0°
HAMCAMCANHB961.4°60.0°
HB8CAMCANHAN179.4°179.9°
HB8CAMCANHB959.2°60.0°
HANCANCAOHCA179.4°60.0°
HANCANCAOHAO60.0°180.0°
HB9CANCAOHCA60.5°60.0°
HB9CANCAOHAO60.2°60.0°
HCACAOCAJHAJ176.9°60.0°
HAOCAOCAJHAJ62.5°179.9°
HAJCAJCAIHAI170.8°171.2°
HAHCAHCAGHAG55.9°51.2°
HAHCAHCAGHB465.8°67.3°
HB5CAHCAGHAG174.4°171.3°
HB5CAHCAGHB452.7°52.8°
HAGCAGCAFHAF70.2°4.0°
HAGCAGCAFHB3170.2°122.4°
HB4CAGCAFHAF51.5°114.4°
HB4CAGCAFHB368.1°3.9°
HAFCAFCBHB247.7°50.4°
HAFCAFCBHB172.0°170.1°
HB3CAFCBHB271.9°67.9°
HB3CAFCBHB1168.4°51.8°
HB2CBCAHA70.8°57.7°
HB1CBCAHA48.9°177.3°
HCHCBDCBCHBC23.0°157.0°
HBDCBDCBCHBC95.1°37.5°
HBCCBCCBBHBB172.6°179.4°
HBBCBBCBAHCG67.5°2.2°
HBBCBBCBAHBA172.0°122.1°
HCFCAYCAXHCE123.6°127.0°
HCFCAYCAXHAX2.5°7.0°
HAYCAYCAXHCE116.0°113.1°
HAYCAYCAXHAX122.9°126.9°
HCECAXCAWHAW117.7°138.4°
HCECAXCAWHCD120.5°101.6°
HAXCAXCAWHAW121.2°18.5°
HAXCAXCAWHCD0.6°138.4°
HCCCATHATHCB120.0°120.1°
HCJCBJHBJHCI120.0°120.1°

248335

PDB entries from 2026-01-28

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