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3E6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O42C42sing1.43Å1.43Å
C62O62sing1.43Å1.43Å
C62C52sing1.53Å1.51Å
C42C52sing1.53Å1.53Å
C42C32sing1.53Å1.52Å
C52O52sing1.43Å1.44Å
O32C32sing1.43Å1.43Å
C32C22sing1.53Å1.52Å
O52C12sing1.43Å1.42Å
O31C31sing1.43Å1.42Å
O41C41sing1.43Å1.43Å
C31C41sing1.53Å1.51Å
C31C21sing1.53Å1.52Å
O21C21sing1.43Å1.42Å
C22C12sing1.53Å1.52Å
C22O22sing1.43Å1.42Å
C12O6sing1.43Å1.40Å
C41C51sing1.53Å1.51Å
C51C61sing1.53Å1.51Å
C51O51sing1.43Å1.44Å
C21C11sing1.53Å1.52Å
C11O51sing1.43Å1.42Å
C11OAMsing1.45Å1.42Å
O61C61sing1.43Å1.43Å
OALCAKdoub1.21Å1.20Å
O6C6sing1.43Å1.44Å
C6C5sing1.53Å1.51Å
OAMCAKsing1.34Å1.34Å
CAKCAIsing1.50Å1.53Å
CAJCAIsing1.55Å1.54Å
O4C4sing1.43Å1.43Å
CAICAHsing1.51Å1.56Å
CAICANsing1.53Å1.54Å
CAGCAHsing1.53Å1.53Å
CAGCAFsing1.54Å1.52Å
C5C4sing1.53Å1.52Å
C5O5sing1.43Å1.43Å
C4C3sing1.53Å1.52Å
O5C1sing1.43Å1.42Å
CAHCAQsing1.52Å1.56Å
CAFCADsing1.52Å1.52Å
CANCAOsing1.52Å1.51Å
CARCAQsing1.53Å1.54Å
CAECADsing1.54Å1.54Å
CAECAVsing1.55Å1.54Å
C3O3sing1.43Å1.43Å
C3C2sing1.53Å1.53Å
CAQCAPsing1.54Å1.55Å
CAQCASsing1.53Å1.57Å
CAOCAPsing1.53Å1.52Å
CADCASsing1.51Å1.55Å
CADCACsing1.55Å1.55Å
C1C2sing1.53Å1.53Å
C1O1sing1.43Å1.40Å
C2O2sing1.43Å1.43Å
O1CAVsing1.43Å1.41Å
CASCATsing1.52Å1.55Å
CAVCAUsing1.53Å1.53Å
CAVCABsing1.52Å1.53Å
CACCABsing1.52Å1.51Å
CAUCATsing1.52Å1.54Å
CABCAAdoub1.31Å1.32Å
O2CBIsing1.43Å1.40Å
OBLCBIsing1.43Å1.42Å
OBLCBMsing1.43Å1.44Å
CBICBJsing1.53Å1.52Å
CBRCBMsing1.53Å1.51Å
CBROBSsing1.43Å1.42Å
CBMCBNsing1.53Å1.53Å
CBJOBKsing1.43Å1.43Å
CBJCBPsing1.53Å1.52Å
CBNCBPsing1.53Å1.52Å
CBNOBOsing1.43Å1.43Å
CBPOBQsing1.43Å1.43Å
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
CAAH8sing1.08Å1.08Å
CAAH9sing1.08Å1.08Å
CACH10sing1.09Å1.10Å
CACH11sing1.09Å1.10Å
CAEH12sing1.10Å1.10Å
CAEH13sing1.08Å1.10Å
CAFH14sing1.09Å1.10Å
CAFH15sing1.09Å1.10Å
CAGH16sing1.09Å1.10Å
CAGH17sing1.09Å1.10Å
CAHH18sing1.12Å1.10Å
CAJH19sing1.09Å1.10Å
CAJH20sing1.09Å1.10Å
CAJH21sing1.09Å1.10Å
CANH22sing1.10Å1.10Å
CANH23sing1.09Å1.10Å
CAOH24sing1.09Å1.10Å
CAOH25sing1.10Å1.10Å
CAPH26sing1.09Å1.10Å
CAPH27sing1.09Å1.10Å
CARH28sing1.09Å1.10Å
CARH29sing1.09Å1.10Å
CARH30sing1.09Å1.10Å
CASH31sing1.12Å1.10Å
CATH32sing1.09Å1.10Å
CATH33sing1.10Å1.10Å
CAUH34sing1.09Å1.10Å
CAUH35sing1.10Å1.10Å
O4H36sing0.97Å0.95Å
O3H37sing0.97Å0.95Å
CBIH38sing1.09Å1.10Å
CBMH39sing1.09Å1.10Å
CBRH40sing1.09Å1.10Å
CBRH41sing1.09Å1.10Å
OBSH42sing0.97Å0.95Å
CBNH43sing1.09Å1.10Å
OBOH44sing0.97Å0.95Å
CBPH45sing1.09Å1.10Å
OBQH46sing0.97Å0.95Å
CBJH47sing1.09Å1.10Å
OBKH48sing0.97Å0.95Å
C21H49sing1.09Å1.10Å
C31H50sing1.09Å1.10Å
C41H51sing1.09Å1.10Å
C51H52sing1.09Å1.10Å
C61H53sing1.09Å1.10Å
C61H54sing1.09Å1.10Å
C11H55sing1.09Å1.10Å
O21H56sing0.97Å0.95Å
O31H57sing0.97Å0.95Å
O41H58sing0.97Å0.95Å
O61H59sing0.97Å0.95Å
C22H60sing1.09Å1.10Å
C32H61sing1.09Å1.10Å
C42H62sing1.09Å1.10Å
C52H63sing1.09Å1.10Å
C62H64sing1.09Å1.10Å
C62H65sing1.09Å1.10Å
C12H66sing1.09Å1.10Å
O22H67sing0.97Å0.95Å
O32H68sing0.97Å0.95Å
O42H69sing0.97Å0.95Å
O62H70sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O42C42C52108.6°109.5°
O42C42C32110.1°109.5°
O42C42H62110.1°109.6°
C42O42H69109.5°113.9°
O62C62C52111.3°109.5°
O62C62H64109.0°109.5°
O62C62H65109.0°109.5°
C62O62H70109.5°114.1°
C62C52C42113.2°109.5°
C62C52O52107.0°109.5°
C62C52H63109.0°109.5°
C52C62H64109.0°109.4°
C52C62H65109.0°109.4°
C52C42C32110.6°109.1°
C42C52O52108.9°109.4°
C52C42H62108.7°109.5°
C42C52H63108.8°109.5°
C42C32O32110.7°109.6°
C42C32C22111.5°109.0°
C42C32H61108.3°109.6°
C32C42H62108.8°109.6°
C52O52C12112.9°114.1°
O52C52H63110.0°109.5°
O32C32C22108.3°109.5°
O32C32H61109.6°109.6°
C32O32H68109.5°114.0°
C32C22C12111.4°109.1°
C32C22O22110.0°109.5°
C32C22H60108.1°109.6°
C22C32H61108.4°109.6°
O52C12C22110.8°109.4°
O52C12O6109.7°109.5°
O52C12H66110.0°109.5°
O31C31C41111.1°109.6°
O31C31C21110.1°109.6°
O31C31H50109.5°109.6°
C31O31H57109.5°114.0°
O41C41C31111.1°109.5°
O41C41C51110.2°109.5°
O41C41H51109.9°109.5°
C41O41H58109.5°114.0°
C41C31C21109.6°109.0°
C31C41C51108.0°109.2°
C41C31H50108.2°109.5°
C31C41H51108.8°109.5°
C31C21O21110.5°109.6°
C31C21C11109.7°109.2°
C31C21H49108.4°109.5°
C21C31H50108.2°109.5°
O21C21C11110.2°109.5°
O21C21H49109.7°109.5°
C21O21H56109.5°114.0°
C12C22O22109.8°109.5°
C22C12O6107.6°109.4°
C12C22H60108.1°109.5°
C22C12H66108.5°109.5°
O22C22H60109.4°109.5°
C22O22H67109.5°114.0°
C12O6C6114.2°114.0°
O6C12H66110.2°109.6°
C41C51C61113.9°109.5°
C41C51O51107.8°109.4°
C51C41H51108.8°109.6°
C41C51H52108.9°109.5°
C61C51O51107.4°109.5°
C51C61O61110.7°109.4°
C61C51H52108.9°109.5°
C51C61H53109.2°109.5°
C51C61H54109.1°109.5°
C51O51C11113.5°114.1°
O51C51H52109.9°109.5°
C21C11O51111.0°109.4°
C21C11OAM108.1°109.5°
C11C21H49108.3°109.6°
C21C11H55108.8°109.5°
O51C11OAM108.4°109.5°
O51C11H55110.3°109.5°
C11OAMCAK116.7°117.0°
OAMC11H55110.3°109.5°
O61C61H53109.2°109.5°
O61C61H54109.2°109.4°
C61O61H59109.5°114.0°
OALCAKOAM123.5°120.0°
OALCAKCAI123.8°120.0°
O6C6C5107.7°109.5°
O6C6H6109.9°109.4°
O6C6H7109.9°109.5°
C6C5C4113.2°109.5°
C6C5O5107.4°109.5°
C6C5H5108.7°109.5°
C5C6H6109.9°109.5°
C5C6H7109.9°109.5°
OAMCAKCAI112.8°120.0°
CAKCAICAJ104.9°106.9°
CAKCAICAH112.4°113.0°
CAKCAICAN113.4°110.1°
CAJCAICAH109.6°108.1°
CAJCAICAN108.3°106.2°
CAICAJH19109.5°109.5°
CAICAJH20109.5°109.4°
CAICAJH21109.5°109.5°
O4C4C5109.6°109.5°
O4C4C3109.3°109.5°
O4C4H4110.1°109.5°
C4O4H36109.5°114.0°
CAHCAICAN108.1°112.1°
CAICAHCAG116.3°113.0°
CAICAHCAQ116.0°116.0°
CAICAHH18103.5°106.0°
CAICANCAO114.3°112.3°
CAICANH22108.3°108.8°
CAICANH23108.2°109.0°
CAHCAGCAF109.0°107.4°
CAGCAHCAQ111.6°110.4°
CAHCAGH16109.6°111.2°
CAHCAGH17109.6°110.8°
CAGCAHH18103.8°105.1°
CAGCAFCAD113.0°109.6°
CAGCAFH14108.5°109.4°
CAGCAFH15108.5°109.3°
CAFCAGH16109.6°109.3°
CAFCAGH17109.6°108.6°
C4C5O5109.2°109.4°
C5C4C3110.1°109.2°
C5C4H4108.8°109.5°
C4C5H5108.6°109.5°
C5O5C1112.7°114.1°
O5C5H5109.7°109.5°
C4C3O3109.4°109.6°
C4C3C2111.9°109.0°
C4C3H3108.5°109.6°
C3C4H4108.9°109.5°
O5C1C2110.8°109.4°
O5C1O1110.2°109.5°
O5C1H1109.8°109.6°
CAHCAQCAR113.2°112.8°
CAHCAQCAP107.9°108.1°
CAHCAQCAS107.3°108.7°
CAQCAHH18103.5°105.4°
CAFCADCAE111.6°110.3°
CAFCADCAS111.9°114.1°
CAFCADCAC110.6°110.5°
CADCAFH14108.6°109.5°
CADCAFH15108.6°109.4°
CANCAOCAP111.3°110.4°
CAOCANH22108.2°109.2°
CAOCANH23108.3°109.4°
CANCAOH24109.0°110.7°
CANCAOH25109.0°108.6°
CARCAQCAP107.8°108.3°
CARCAQCAS113.2°110.5°
CAQCARH28109.5°109.4°
CAQCARH29109.4°109.4°
CAQCARH30109.4°109.5°
CADCAECAV101.7°100.3°
CAECADCAS112.5°112.1°
CAECADCAC100.6°102.1°
CADCAEH12111.4°110.3°
CADCAEH13111.4°114.2°
CAECAVO1114.0°112.4°
CAECAVCAU107.7°106.1°
CAECAVCAB102.2°104.0°
CAVCAEH12111.4°110.0°
CAVCAEH13111.4°112.3°
O3C3C2109.0°109.5°
O3C3H3109.7°109.6°
C3O3H37109.5°114.0°
C3C2C1111.2°109.1°
C3C2O2109.2°109.5°
C3C2H2109.3°109.6°
C2C3H3108.3°109.5°
CAPCAQCAS107.2°108.2°
CAQCAPCAO114.2°109.7°
CAQCAPH26108.3°109.3°
CAQCAPH27108.2°108.8°
CAQCASCAD117.3°115.2°
CAQCASCAT114.9°113.5°
CAQCASH31103.9°104.3°
CAPCAOH24109.0°111.2°
CAPCAOH25109.0°108.3°
CAOCAPH26108.3°109.7°
CAOCAPH27108.3°109.7°
CASCADCAC109.0°107.1°
CADCASCAT110.7°112.7°
CADCASH31104.1°105.2°
CADCACCAB105.3°105.2°
CADCACH10110.5°109.3°
CADCACH11110.5°109.4°
C2C1O1107.5°109.4°
C1C2O2107.0°109.5°
C2C1H1108.3°109.4°
C1C2H2109.3°109.5°
C1O1CAV120.7°113.9°
O1C1H1110.1°109.5°
C2O2CBI118.1°114.0°
O2C2H2110.7°109.6°
O1CAVCAU113.5°112.4°
O1CAVCAB108.6°112.4°
CASCATCAU116.3°114.9°
CATCASH31104.1°104.6°
CASCATH32107.8°109.4°
CASCATH33107.8°108.2°
CAUCAVCAB110.2°109.0°
CAVCAUCAT111.8°111.4°
CAVCAUH34108.9°109.6°
CAVCAUH35108.9°108.8°
CAVCABCAC107.7°107.0°
CAVCABCAA125.0°126.4°
CACCABCAA127.4°126.6°
CABCACH10110.5°110.8°
CABCACH11110.5°110.8°
CAUCATH32107.7°108.9°
CAUCATH33107.7°108.4°
CATCAUH34108.9°110.2°
CATCAUH35108.9°109.0°
CABCAAH8120.0°120.0°
CABCAAH9120.0°120.0°
O2CBIOBL110.5°109.5°
O2CBICBJ108.4°109.5°
O2CBIH38110.0°109.5°
CBIOBLCBM112.7°114.1°
OBLCBICBJ109.8°109.4°
OBLCBIH38109.8°109.5°
OBLCBMCBR106.7°109.5°
OBLCBMCBN109.2°109.4°
OBLCBMH39109.8°109.5°
CBICBJOBK109.7°109.5°
CBICBJCBP109.9°109.1°
CBJCBIH38108.4°109.5°
CBICBJH47108.0°109.5°
CBMCBROBS111.2°109.5°
CBRCBMCBN113.7°109.5°
CBRCBMH39108.8°109.5°
CBMCBRH40109.0°109.4°
CBMCBRH41109.1°109.5°
OBSCBRH40109.0°109.5°
OBSCBRH41109.0°109.5°
CBROBSH42109.5°114.0°
CBMCBNCBP110.5°109.2°
CBMCBNOBO109.3°109.5°
CBNCBMH39108.5°109.5°
CBMCBNH43108.6°109.6°
OBKCBJCBP111.8°109.5°
OBKCBJH47109.3°109.6°
CBJOBKH48109.5°114.0°
CBJCBPCBN111.1°109.0°
CBJCBPOBQ109.5°109.5°
CBJCBPH45108.2°109.6°
CBPCBJH47108.0°109.6°
CBPCBNOBO109.7°109.5°
CBNCBPOBQ110.2°109.6°
CBPCBNH43108.7°109.5°
CBNCBPH45108.2°109.5°
OBOCBNH43110.0°109.5°
CBNOBOH44109.5°114.0°
OBQCBPH45109.5°109.6°
CBPOBQH46109.5°114.0°
H6C6H7109.5°109.5°
H8CAAH9120.0°120.0°
H10CACH11109.4°111.1°
H12CAEH13109.5°109.4°
H14CAFH15109.5°109.6°
H16CAGH17109.5°109.4°
H19CAJH20109.5°109.5°
H19CAJH21109.4°109.5°
H20CAJH21109.5°109.5°
H22CANH23109.5°108.0°
H24CAOH25109.5°107.5°
H26CAPH27109.5°109.6°
H28CARH29109.4°109.5°
H28CARH30109.5°109.5°
H29CARH30109.5°109.5°
H32CATH33109.5°106.7°
H34CAUH35109.4°107.8°
H40CBRH41109.5°109.5°
H53C61H54109.5°109.5°
H64C62H65109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O42C42C52C6263.7°62.5°
O42C42C52C32120.9°119.9°
O42C42C52H62119.7°120.2°
O42C42C32H62120.7°120.2°
O42C42C52O52177.5°177.5°
O42C42C32O3268.6°63.3°
O42C42C32C22170.7°176.9°
O42C42C32H6151.5°57.0°
O42C42C52H6357.7°57.5°
O62C62C52H64120.3°120.0°
O62C62C52H65120.3°120.0°
O62C62C52C42173.9°175.0°
O62C62C52O5266.1°65.0°
O62C62C52H6352.7°55.0°
O62C62H64H65119.2°120.0°
C62C52C42O52118.8°120.0°
C62C52C42H63121.3°120.1°
C62C52C42C32175.4°177.6°
C62C52O52H63118.3°120.0°
C62C52O52C12173.9°178.8°
C62C52C42H6256.1°57.7°
C52C62H64H65119.1°120.0°
C52C62O62H70180.0°180.0°
C52C42C32H62119.3°119.9°
C42C52O52H63119.1°120.0°
C52C42C32O32171.4°176.9°
C52C42C32C2250.7°57.0°
C42C52O52C1263.5°61.2°
C52C42C32H6168.5°62.9°
C42C52C62H6465.8°55.0°
C42C52C62H6553.7°65.0°
C52C42O42H69180.0°180.0°
C32C42C52O5256.6°57.6°
C42C32O32C22122.6°119.5°
C42C32O32H61119.4°120.3°
C42C32C22H61119.1°119.9°
C42C32C22C1248.4°57.0°
C42C32C22O22170.4°176.9°
C42C32C22H6070.2°62.9°
C32C42C52H6363.2°62.3°
C42C32O32H68180.0°179.5°
C32C42O42H6958.8°60.4°
C52O52C12C2261.8°61.2°
C52O52C12O6179.6°178.9°
O52C52C42H6262.8°62.3°
O52C52C62H6454.2°175.0°
O52C52C62H65173.6°54.9°
C52O52C12H6658.2°58.8°
O32C32C22H61118.8°120.2°
O32C32C22C12170.5°176.9°
O32C32C22O2267.5°63.2°
O32C32C22H6051.9°57.0°
O32C32C42H6252.1°57.0°
C32C22C12O5253.0°57.6°
C32C22C12O22122.1°119.9°
C32C22C12H60118.6°120.0°
C32C22O22H60118.6°120.2°
C32C22C12O6172.9°177.6°
C22C32C42H6268.6°62.9°
C32C22C12H6667.9°62.3°
C32C22O22H67180.0°179.6°
C22C32O32H6857.4°60.0°
O52C12C22O6119.9°120.0°
O52C12C22H66120.9°120.0°
O52C12C22O22175.1°177.5°
O52C12O6H66121.2°120.1°
O52C12O6C677.4°65.1°
O52C12C22H6065.6°62.3°
C12O52C52H6355.6°58.8°
O31C31C41O4157.4°63.2°
O31C31C41C21121.9°119.9°
O31C31C41H50120.2°120.3°
O31C31C21H50119.6°120.2°
O31C31C21O2161.3°63.2°
O31C31C41C51178.3°176.9°
O31C31C21C11177.1°176.9°
O31C31C21H4959.0°56.9°
O31C31C41H5163.8°56.9°
O41C41C31C51120.9°119.9°
O41C41C31H51121.1°120.1°
O41C41C31C21179.3°176.9°
O41C41C51H51120.6°120.2°
O41C41C51C6157.1°62.5°
O41C41C51O51176.2°177.5°
O41C41C31H5062.9°57.0°
O41C41C51H5264.7°57.5°
C41C31C21H50117.9°119.9°
C41C31C21O21176.2°176.9°
C31C41C51H51117.9°119.9°
C31C41C51C61178.6°177.6°
C31C41C51O5162.3°57.7°
C41C31C21C1154.6°57.0°
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H14CAFCAGH17179.5°59.3°
H15CAFCAGH1659.5°179.9°
H15CAFCAGH1760.6°60.8°
H16CAGCAHH1873.9°165.8°
H17CAGCAHH18166.0°72.2°
H19CAJH20H21119.9°120.0°
H22CANCAOH2455.6°52.9°
H22CANCAOH2563.8°64.9°
H23CANCAOH24174.2°170.9°
H23CANCAOH2554.7°53.1°
H24CAOCAPH26174.2°59.0°
H24CAOCAPH2755.6°179.5°
H25CAOCAPH2654.7°58.9°
H25CAOCAPH2763.9°61.6°
H28CARH29H30120.0°120.1°
H31CASCATH3292.4°86.5°
H31CASCATH3325.6°29.3°
H32CATCAUH3477.3°45.0°
H32CATCAUH3542.0°73.0°
H33CATCAUH3440.7°160.8°
H33CATCAUH35160.0°42.7°
H38CBICBJH47179.7°177.6°
H39CBMCBRH4053.9°65.0°
H39CBMCBRH4165.5°175.0°
H39CBMCBNH43176.4°177.7°
H40CBROBSH4259.8°60.0°
H41CBROBSH4259.7°60.0°
H43CBNOBOH4460.8°59.8°
H43CBNCBPH45173.9°177.1°
H45CBPOBQH4661.4°59.8°
H45CBPCBJH47175.9°177.1°
H47CBJOBKH4861.7°60.1°
H49C21C31H50178.6°177.2°
H49C21C11H55173.3°177.7°
H49C21O21H5660.5°60.1°
H50C31C41H51176.0°177.2°
H50C31O31H5760.5°59.8°
H51C41C51H52174.8°177.7°
H51C41O41H5859.5°60.1°
H52C51C61H5371.6°65.0°
H52C51C61H54168.7°174.9°
H53C61O61H5959.8°60.0°
H54C61O61H5959.8°60.0°
H60C22C32H61170.7°177.2°
H60C22C12H66173.5°177.7°
H60C22O22H6761.4°60.2°
H61C32C42H62172.2°177.2°
H61C32O32H6860.6°60.2°
H62C42C52H63177.4°177.7°
H62C42O42H6961.1°59.9°
H63C52C62H64173.0°65.0°
H63C52C62H6567.5°174.9°
H64C62O62H7059.7°60.0°
H65C62O62H7059.8°60.1°

222415

PDB entries from 2024-07-10

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