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XDR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAROAVsing1.45Å1.50Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CARC28sing1.53Å1.54Å
OAVCAYsing1.34Å1.37Å
CAYCBMsing1.51Å1.50Å
OADCAYdoub1.21Å1.22Å
CBMOAEsing1.43Å1.41Å
CBMCBNsing1.54Å1.61Å
OAEHOAEsing0.97Å0.95Å
CATCBMsing1.54Å1.52Å
CATCBLsing1.54Å1.49Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CBLNBJsing1.47Å1.48Å
CBLOAWsing1.43Å1.41Å
CBLHBLsing1.09Å1.10Å
OAWCBNsing1.43Å1.41Å
CBNCABsing1.53Å1.52Å
CBNNBKsing1.47Å1.51Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
NBKCBIsing1.39Å1.33ÅAromatic
NBKCBEsing1.37Å1.33ÅAromatic
CBECAMsing1.39Å1.39ÅAromatic
CBECBBdoub1.42Å1.40ÅAromatic
CAMCAIdoub1.39Å1.40ÅAromatic
CAMHAMsing1.08Å1.08Å
CAICAFsing1.38Å1.40ÅAromatic
CAIHAIsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CAJCAFdoub1.38Å1.40ÅAromatic
CAJHAJsing1.08Å1.08Å
CBBCAJsing1.40Å1.39ÅAromatic
CBFCBBsing1.46Å1.38ÅAromatic
CBFCAZdoub1.40Å1.40ÅAromatic
CBICBFsing1.41Å1.38ÅAromatic
CBHCBIdoub1.39Å1.38ÅAromatic
CBHCBGsing1.41Å1.39ÅAromatic
NBJCBHsing1.39Å1.32ÅAromatic
CBDNBJsing1.37Å1.34ÅAromatic
CBDCBCsing1.42Å1.41ÅAromatic
CALCBDdoub1.39Å1.39ÅAromatic
CALHALsing1.08Å1.08Å
CAHCALsing1.39Å1.39ÅAromatic
CAHCAGdoub1.38Å1.40ÅAromatic
CAHHAHsing1.08Å1.08Å
CAGCAKsing1.39Å1.40ÅAromatic
CAGHAGsing1.08Å1.08Å
CAKCBCdoub1.40Å1.39ÅAromatic
CAKHAKsing1.08Å1.08Å
CBCCBGsing1.46Å1.38ÅAromatic
CBGCBAdoub1.39Å1.39ÅAromatic
CBACAXsing1.48Å1.40Å
CBACAZsing1.41Å1.39ÅAromatic
CAZCASsing1.47Å1.52Å
CASHASsing1.08Å1.08Å
NAUCASdoub1.31Å1.46Å
CAXNAUsing1.35Å1.34Å
OACCAXdoub1.22Å1.24Å
C28H19sing1.09Å1.10Å
C28C29sing1.53Å1.09Å
C28H20sing1.09Å1.10Å
C29H21sing1.09Å1.10Å
C29C30sing1.53Å1.09Å
C29H22sing1.09Å1.10Å
C30C31sing1.53Å1.09Å
C30H23sing1.09Å1.10Å
C30H24sing1.09Å1.10Å
C31H25sing1.09Å1.10Å
C31C32sing1.53Å1.09Å
C31H26sing1.09Å1.10Å
C32H27sing1.09Å1.10Å
C32H28sing1.09Å1.10Å
C32H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAVCARHAR109.5°109.5°
OAVCARHARA109.5°109.4°
OAVCARC28109.4°109.5°
CAROAVCAY119.7°117.0°
HARCARHARA109.4°109.5°
HARCARC28109.5°109.5°
HARACARC28109.5°109.5°
CARC28H19109.5°109.5°
CARC28C29109.5°109.5°
CARC28H20109.5°109.5°
OAVCAYCBM121.5°120.0°
OAVCAYOAD121.5°120.0°
CBMCAYOAD116.5°120.0°
CAYCBMOAE117.6°110.3°
CAYCBMCBN98.9°110.3°
CAYCBMCAT118.0°110.3°
OAECBMCBN90.5°110.3°
CBMOAEHOAE109.5°114.0°
OAECBMCAT123.8°110.3°
CBNCBMCAT88.6°105.2°
CBMCBNOAW109.5°105.4°
CBMCBNCAB115.9°110.4°
CBMCBNNBK119.2°109.0°
CBMCATCBL110.1°105.2°
CBMCATHAT109.3°110.3°
CBMCATHATA109.1°110.3°
CBLCATHAT109.2°110.3°
CBLCATHATA109.1°110.3°
CATCBLNBJ100.8°109.0°
CATCBLOAW105.9°105.6°
CATCBLHBL116.2°110.5°
HATCATHATA110.0°110.4°
NBJCBLOAW107.1°110.3°
NBJCBLHBL115.2°110.3°
CBLNBJCBH125.3°124.0°
CBLNBJCBD126.4°127.1°
OAWCBLHBL110.7°111.1°
CBLOAWCBN104.7°110.6°
OAWCBNCAB102.3°110.5°
OAWCBNNBK103.6°110.4°
CABCBNNBK104.5°111.0°
CBNCABHAB109.5°109.5°
CBNCABHABA109.5°109.5°
CBNCABHABB109.5°109.5°
CBNNBKCBI127.7°124.0°
CBNNBKCBE124.0°127.2°
HABCABHABA109.4°109.5°
HABCABHABB109.4°109.4°
HABACABHABB109.5°109.5°
CBINBKCBE108.2°108.8°
NBKCBICBF110.8°110.0°
NBKCBICBH129.3°129.5°
NBKCBECAM132.0°130.6°
NBKCBECBB108.5°108.9°
CAMCBECBB119.5°120.5°
CBECAMCAI119.6°117.2°
CBECAMHAM120.2°121.4°
CBECBBCAJ120.8°121.4°
CBECBBCBF107.0°106.9°
CAICAMHAM120.2°121.4°
CAMCAICAF121.0°122.3°
CAMCAIHAI119.5°118.9°
CAFCAIHAI119.5°118.9°
CAICAFHAF120.4°119.1°
CAICAFCAJ119.2°121.8°
HAFCAFCAJ120.4°119.1°
CAFCAJHAJ120.1°121.6°
CAFCAJCBB119.8°116.9°
HAJCAJCBB120.1°121.6°
CAJCBBCBF132.2°131.7°
CBBCBFCAZ135.8°135.5°
CBBCBFCBI105.5°105.4°
CAZCBFCBI118.7°119.1°
CBFCAZCBA121.8°120.2°
CBFCAZCAS129.7°134.1°
CBFCBICBH119.8°120.5°
CBICBHCBG121.8°120.4°
CBICBHNBJ127.0°129.7°
CBGCBHNBJ111.2°109.9°
CBHCBGCBC105.1°105.3°
CBHCBGCBA119.4°119.2°
CBHNBJCBD108.3°108.9°
NBJCBDCBC108.5°108.9°
NBJCBDCAL130.5°130.5°
CBCCBDCAL121.1°120.5°
CBDCBCCAK120.0°121.4°
CBDCBCCBG106.9°106.9°
CBDCALHAL120.9°121.4°
CBDCALCAH118.3°117.2°
HALCALCAH120.8°121.4°
CALCAHCAG121.1°122.2°
CALCAHHAH119.4°118.9°
CAGCAHHAH119.4°118.9°
CAHCAGCAK120.4°121.9°
CAHCAGHAG119.8°119.1°
CAKCAGHAG119.8°119.1°
CAGCAKCBC119.1°116.8°
CAGCAKHAK120.5°121.6°
CBCCAKHAK120.5°121.6°
CAKCBCCBG133.1°131.6°
CBCCBGCBA135.5°135.5°
CBGCBACAX134.2°134.4°
CBGCBACAZ118.4°120.4°
CAXCBACAZ107.5°105.2°
CBACAXNAU112.0°108.0°
CBACAXOAC124.3°126.0°
CBACAZCAS108.4°105.7°
CAZCASHAS129.0°125.3°
CAZCASNAU102.0°109.5°
HASCASNAU129.0°125.3°
CASNAUCAX110.1°111.6°
NAUCAXOAC123.5°126.0°
H19C28C29109.5°109.4°
H19C28H20109.4°109.5°
C29C28H20109.5°109.5°
C28C29H21109.5°109.4°
C28C29C30109.5°109.5°
C28C29H22109.5°109.5°
H21C29C30109.5°109.4°
H21C29H22109.4°109.5°
C30C29H22109.4°109.5°
C29C30C31109.5°109.5°
C29C30H23109.5°109.5°
C29C30H24109.5°109.4°
C31C30H23109.5°109.5°
C31C30H24109.5°109.5°
C30C31H25109.5°109.5°
C30C31C32109.5°109.5°
C30C31H26109.4°109.4°
H23C30H24109.5°109.4°
H25C31C32109.5°109.5°
H25C31H26109.5°109.5°
C32C31H26109.5°109.4°
C31C32H27109.5°109.5°
C31C32H28109.5°109.5°
C31C32H29109.5°109.5°
H27C32H28109.5°109.5°
H27C32H29109.4°109.4°
H28C32H29109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAVCARHARHARA120.0°120.0°
OAVCARHARC28120.0°120.0°
OAVCARHARAC28120.0°120.0°
CAROAVCAYCBM162.4°180.0°
CAROAVCAYOAD9.5°0.1°
OAVCARC28H1949.1°60.0°
OAVCARC28C29169.1°180.0°
OAVCARC28H2070.9°60.0°
HARCARHARAC28120.0°120.0°
HARCAROAVCAY18.8°59.9°
HARCARC28H19169.1°60.0°
HARCARC28C2970.9°59.9°
HARCARC28H2049.1°180.0°
HARACAROAVCAY101.2°60.0°
HARACARC28H1970.9°180.0°
HARACARC28C2949.1°60.1°
HARACARC28H20169.1°60.0°
C28CAROAVCAY138.8°180.0°
CARC28H19C29120.0°120.0°
CARC28H19H20120.0°120.0°
CARC28C29H20120.0°120.0°
CARC28C29H2172.1°60.0°
CARC28C29C30167.9°180.0°
CARC28C29H2247.9°60.0°
OAVCAYCBMOAD172.3°180.0°
OAVCAYCBMOAE173.5°33.9°
OAVCAYCBMCBN78.3°88.2°
OAVCAYCBMCAT15.0°156.0°
CAYCBMOAECBN100.3°122.1°
CAYCBMOAECAT171.0°122.1°
CAYCBMCBNCAT118.1°118.9°
CAYCBMOAEHOAE85.2°59.3°
CAYCBMCATCBL61.6°119.0°
CAYCBMCATHAT178.4°122.1°
CAYCBMCATHATA58.1°0.0°
CAYCBMCBNOAW73.5°102.6°
CAYCBMCBNCAB41.5°16.8°
CAYCBMCBNNBK167.6°139.0°
OADCAYCBMOAE14.1°146.1°
OADCAYCBMCBN109.4°91.8°
OADCAYCBMCAT157.4°24.0°
OAECBMCBNCAT123.8°119.0°
OAECBMCATCBL127.4°119.0°
OAECBMCATHAT7.5°0.0°
OAECBMCATHATA112.8°122.1°
OAECBMCBNOAW168.4°135.3°
OAECBMCBNCAB76.6°105.3°
OAECBMCBNNBK49.5°16.9°
CBNCBMOAEHOAE174.5°178.6°
CBNCBMCATCBL37.7°0.0°
CBNCBMCATHAT82.2°118.9°
CBNCBMCATHATA157.5°118.9°
CBMCBNOAWCBL36.0°28.6°
CBMCBNOAWCAB123.4°119.3°
CBMCBNOAWNBK128.2°117.5°
CBMCBNCABNBK133.3°121.0°
CBMCBNCABHAB161.0°50.2°
CBMCBNCABHABA79.0°170.2°
CBMCBNCABHABB41.0°69.8°
CBMCBNNBKCBI86.7°85.4°
CBMCBNNBKCBE96.6°96.7°
HOAEOAECBMCAT85.8°62.8°
CBMCATCBLHAT120.0°118.9°
CBMCATCBLHATA119.7°118.9°
CBMCATHATHATA119.7°122.2°
CBMCATCBLNBJ134.0°102.1°
CBMCATCBLOAW22.5°16.4°
CBMCATCBLHBL100.8°136.6°
CATCBMCBNOAW44.6°16.4°
CATCBMCBNCAB159.6°135.7°
CATCBMCBNNBK74.3°102.1°
CBLCATHATHATA119.7°122.1°
CATCBLNBJOAW110.5°115.4°
CATCBLNBJHBL125.9°121.4°
CATCBLOAWHBL126.8°119.8°
CATCBLOAWCBN8.7°28.6°
CATCBLNBJCBH68.8°85.3°
CATCBLNBJCBD108.3°97.3°
HATCATCBLNBJ14.0°16.9°
HATCATCBLOAW97.4°135.4°
HATCATCBLHBL139.2°104.5°
HATACATCBLNBJ106.3°139.0°
HATACATCBLOAW142.3°102.5°
HATACATCBLHBL18.9°17.7°
NBJCBLOAWHBL126.3°122.7°
NBJCBLOAWCBN98.2°88.9°
CBLNBJCBHCBI2.3°7.6°
CBLNBJCBHCBG179.6°173.7°
CBLNBJCBHCBD177.6°177.8°
CBLNBJCBDCBC178.9°174.2°
CBLNBJCBDCAL0.9°5.7°
CBLOAWCBNCAB159.4°147.9°
CBLOAWCBNNBK92.2°88.9°
OAWCBLNBJCBH41.7°30.1°
OAWCBLNBJCBD141.2°147.3°
HBLCBLOAWCBN135.5°148.4°
HBLCBLNBJCBH165.3°153.3°
HBLCBLNBJCBD17.6°24.1°
OAWCBNCABNBK107.7°122.8°
OAWCBNCABHAB80.0°166.4°
OAWCBNCABHABA40.0°73.6°
OAWCBNCABHABB160.0°46.4°
OAWCBNNBKCBI35.2°29.9°
OAWCBNNBKCBE141.5°148.0°
CBNCABHABHABA120.0°120.0°
CBNCABHABHABB120.0°120.0°
CBNCABHABAHABB120.0°120.0°
CABCBNNBKCBI142.0°152.8°
CABCBNNBKCBE34.8°25.1°
NBKCBNCABHAB27.7°70.8°
NBKCBNCABHABA147.7°49.2°
NBKCBNCABHABB92.2°169.2°
CBNNBKCBICBE177.2°178.2°
CBNNBKCBECAM1.5°4.5°
CBNNBKCBECBB178.4°174.9°
CBNNBKCBICBF178.1°174.6°
CBNNBKCBICBH4.1°8.1°
HABCABHABAHABB120.0°120.0°
CBINBKCBECAM178.8°177.4°
CBINBKCBECBB1.1°3.2°
NBKCBICBFCBB0.4°2.6°
NBKCBICBFCAZ179.1°177.6°
NBKCBICBFCBH178.0°177.6°
NBKCBICBHCBG179.1°178.3°
NBKCBICBHNBJ3.0°0.4°
NBKCBECAMCBB179.8°179.3°
NBKCBECAMCAI179.9°179.0°
NBKCBECAMHAM0.1°0.9°
NBKCBECBBCAJ180.0°179.0°
NBKCBECBBCBF0.8°1.6°
CBENBKCBICBF1.0°3.7°
CBENBKCBICBH178.7°173.7°
CBECAMCAIHAM180.0°179.9°
CBECAMCAICAF0.3°0.0°
CBECAMCAIHAI179.7°179.9°
CAMCBECBBCAJ0.2°0.5°
CAMCBECBBCBF179.0°179.0°
CBBCBECAMCAI0.3°0.3°
CBBCBECAMHAM179.8°179.8°
CBECBBCAJCAF0.1°0.3°
CBECBBCAJHAJ179.9°179.7°
CBECBBCAJCBF179.0°179.2°
CBECBBCBFCAZ179.6°179.6°
CBECBBCBFCBI0.2°0.6°
CAMCAICAFHAI180.0°179.9°
CAMCAICAFHAF179.7°179.7°
CAMCAICAFCAJ0.2°0.2°
HAMCAMCAICAF179.7°179.9°
HAMCAMCAIHAI0.3°0.2°
CAICAFHAFCAJ180.0°179.9°
CAICAFCAJHAJ179.9°180.0°
CAICAFCAJCBB0.1°0.0°
HAICAICAFHAF0.2°0.3°
HAICAICAFCAJ179.8°179.8°
HAFCAFCAJHAJ0.1°0.0°
HAFCAFCAJCBB179.9°179.9°
CAFCAJHAJCBB180.0°180.0°
CAFCAJCBBCBF178.9°178.9°
HAJCAJCBBCBF1.1°1.1°
CAJCBBCBFCAZ1.3°1.1°
CAJCBBCBFCBI179.3°178.7°
CBBCBFCAZCBI179.3°179.8°
CBBCBFCBICBH178.4°175.1°
CBBCBFCAZCBA178.8°175.5°
CBBCBFCAZCAS0.2°4.4°
CAZCBFCBICBH1.1°4.8°
CBFCAZCBACBG0.2°0.2°
CBFCAZCBACAX179.3°179.0°
CBFCAZCBACAS179.2°179.9°
CBFCAZCASHAS1.1°0.8°
CBFCAZCASNAU178.9°179.3°
CBFCBICBHCBG1.5°1.1°
CBFCBICBHNBJ179.4°177.5°
CBICBFCAZCBA0.5°4.3°
CBICBFCAZCAS179.5°175.9°
CBICBHCBGNBJ178.2°178.9°
CBICBHNBJCBD179.9°174.6°
CBICBHCBGCBC180.0°175.9°
CBICBHCBGCBA1.2°3.0°
CBGCBHNBJCBD2.0°4.1°
CBHCBGCBCCBD0.8°0.8°
CBHCBGCBCCAK178.9°178.5°
CBHCBGCBCCBA178.5°178.7°
CBHCBGCBACAX179.3°177.7°
CBHCBGCBACAZ0.6°3.5°
CBHNBJCBDCBC1.4°3.6°
CBHNBJCBDCAL178.4°176.6°
NBJCBHCBGCBC1.8°3.0°
NBJCBHCBGCBA179.4°178.1°
NBJCBDCBCCAL179.8°179.9°
NBJCBDCALHAL2.2°0.8°
NBJCBDCALCAH177.8°179.2°
NBJCBDCBCCAK179.9°179.0°
NBJCBDCBCCBG0.3°1.7°
CBCCBDCALHAL178.0°179.3°
CBCCBDCALCAH2.0°0.7°
CBDCBCCAKCAG2.5°0.5°
CBDCBCCAKCBG179.7°179.1°
CBDCBCCAKHAK177.5°179.5°
CBDCBCCBGCBA179.3°179.4°
CBDCALHALCAH180.0°180.0°
CBDCALCAHCAG2.2°0.1°
CBDCALCAHHAH177.8°179.9°
CALCBDCBCCAK0.3°0.9°
CALCBDCBCCBG179.5°178.4°
HALCALCAHCAG177.8°179.9°
HALCALCAHHAH2.2°0.1°
CALCAHCAGHAH180.0°180.0°
CALCAHCAGCAK0.0°0.3°
CALCAHCAGHAG180.0°179.8°
CAHCAGCAKHAG180.0°179.9°
CAHCAGCAKCBC2.3°0.1°
CAHCAGCAKHAK177.7°179.9°
HAHCAHCAGCAK180.0°179.7°
HAHCAHCAGHAG0.0°0.2°
CAGCAKCBCHAK180.0°180.0°
CAGCAKCBCCBG177.3°178.7°
HAGCAGCAKCBC177.7°179.9°
HAGCAGCAKHAK2.3°0.0°
CAKCBCCBGCBA0.4°0.2°
HAKCAKCBCCBG2.8°1.3°
CBCCBGCBACAX2.3°3.8°
CBCCBGCBACAZ178.9°175.0°
CBGCBACAXCAZ178.9°178.9°
CBGCBACAZCAS179.5°180.0°
CBGCBACAXNAU179.2°179.9°
CBGCBACAXOAC4.2°0.1°
CAXCBACAZCAS1.5°0.9°
CBACAXNAUCAS1.0°0.6°
CBACAXNAUOAC175.1°180.0°
CBACAZCASHAS178.1°179.4°
CBACAZCASNAU2.0°0.6°
CAZCBACAXNAU0.3°1.0°
CAZCBACAXOAC174.7°179.0°
CAZCASHASNAU180.0°180.0°
CAZCASNAUCAX1.8°0.0°
HASCASNAUCAX178.3°180.0°
CASNAUCAXOAC176.1°179.4°
H19C28C29H20120.0°120.0°
H19C28C29H21167.9°180.0°
H19C28C29C3047.9°60.1°
H19C28C29H2272.1°60.0°
C28C29H21C30120.0°120.0°
C28C29H21H22120.0°120.0°
C28C29C30H22120.0°120.1°
C28C29C30C3173.4°180.0°
C28C29C30H2346.5°59.9°
C28C29C30H24166.6°60.0°
H20C28C29H2147.9°60.0°
H20C28C29C3072.1°60.0°
H20C28C29H22168.0°179.9°
H21C29C30H22120.0°120.0°
H21C29C30C31166.5°60.0°
H21C29C30H2373.5°60.0°
H21C29C30H2446.5°179.9°
C29C30C31H23120.0°120.1°
C29C30C31H24120.0°120.0°
C29C30H23H24120.0°119.9°
C29C30C31H25120.0°60.0°
C29C30C31C32120.0°179.9°
C29C30C31H260.0°60.0°
H22C29C30C3146.6°60.0°
H22C29C30H23166.5°180.0°
H22C29C30H2473.4°60.1°
C31C30H23H24120.0°120.0°
C30C31H25C32120.0°120.0°
C30C31H25H26120.0°120.0°
C30C31C32H26120.0°119.9°
C30C31C32H2745.8°180.0°
C30C31C32H28165.8°60.0°
C30C31C32H2974.1°60.0°
H23C30C31H25120.1°60.1°
H23C30C31C320.1°60.0°
H23C30C31H26120.0°179.9°
H24C30C31H250.0°180.0°
H24C30C31C32120.0°60.0°
H24C30C31H26120.0°60.0°
H25C31C32H26120.0°120.0°
H25C31C32H2774.2°60.0°
H25C31C32H2845.8°60.0°
H25C31C32H29165.9°180.0°
C31C32H27H28120.0°120.0°
C31C32H27H29120.0°120.0°
C31C32H28H29120.0°120.0°
H26C31C32H27165.8°60.0°
H26C31C32H2874.2°179.9°
H26C31C32H2945.8°59.9°
H27C32H28H29120.0°119.9°

224931

PDB entries from 2024-09-11

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