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EXW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACABsing1.53Å1.56Å
CAACARsing1.50Å1.51Å
CABCACsing1.52Å1.54Å
CACCADsing1.53Å1.35Å
CADCAEsing1.54Å1.64Å
CADCAIsing1.53Å1.52Å
CADCAJsing1.53Å1.57Å
CAECAFsing1.54Å1.57Å
CAFCAGsing1.54Å1.36Å
CAGCAHsing1.50Å1.54Å
CAHCATsing1.51Å1.50Å
CAHCAUdoub1.31Å1.55Å
CAJCAKsing1.50Å1.57Å
CAKCAMdoub1.32Å1.51Å
CAKFALsing1.36Å1.35Å
CAMCANsing1.52Å1.49Å
CAMCAOsing1.51Å1.54Å
CAOCAPsing1.52Å1.51Å
CAPCAQsing1.49Å1.50Å
CAQCARdoub1.30Å1.48Å
CARCASsing1.52Å1.49Å
CAAH1sing1.08Å1.10Å
CAAH2sing1.10Å1.10Å
CABH3sing1.08Å1.10Å
CABH4sing1.10Å1.10Å
CACH5sing1.10Å1.10Å
CAEH7sing1.09Å1.10Å
CAEH8sing1.09Å1.10Å
CAFH9sing1.09Å1.10Å
CAFH10sing1.09Å1.10Å
CAGH11sing1.09Å1.10Å
CAIH14sing1.09Å1.10Å
CAIH15sing1.09Å1.10Å
CAIH16sing1.09Å1.10Å
CAJH17sing1.08Å1.10Å
CAJH18sing1.10Å1.10Å
CANH21sing1.09Å1.10Å
CANH22sing1.09Å1.10Å
CANH23sing1.09Å1.10Å
CAOH24sing1.10Å1.10Å
CAOH25sing1.08Å1.10Å
CAPH26sing1.09Å1.10Å
CAPH27sing1.10Å1.10Å
CAQH28sing1.11Å1.08Å
CASH31sing1.09Å1.10Å
CASH32sing1.09Å1.10Å
CASH33sing1.09Å1.10Å
CATH34sing1.09Å1.10Å
CATH35sing1.09Å1.10Å
CATH36sing1.09Å1.10Å
CAUH37sing1.08Å1.08Å
CAUH38sing1.08Å1.08Å
CACCAGsing1.53Å1.70Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABCAACAR109.1°110.7°
CAACABCAC101.0°109.8°
CABCAAH1109.6°109.9°
CABCAAH2109.6°107.9°
CAACABH3111.5°109.6°
CAACABH4111.5°107.0°
CAACARCAQ105.7°125.7°
CAACARCAS114.8°117.0°
CARCAAH1109.6°111.4°
CARCAAH2109.6°108.6°
CABCACCAD124.8°112.1°
CACCABH3111.5°111.5°
CACCABH4111.5°109.8°
CABCACH5103.8°108.2°
CABCACCAG111.5°112.5°
CACCADCAE104.1°107.4°
CACCADCAI102.4°109.1°
CACCADCAJ126.3°110.8°
CADCACH5105.7°108.1°
CADCACCAG106.2°107.8°
CAECADCAI101.9°108.8°
CAECADCAJ112.0°109.1°
CADCAECAF106.1°106.3°
CADCAEH7110.3°109.8°
CADCAEH8110.3°109.9°
CAICADCAJ107.3°111.6°
CADCAIH14109.5°109.5°
CADCAIH15109.5°109.5°
CADCAIH16109.5°109.6°
CADCAJCAK135.9°111.4°
CADCAJH17102.5°110.2°
CADCAJH18102.5°109.0°
CAECAFCAG103.0°106.4°
CAFCAEH7110.3°110.2°
CAFCAEH8110.3°109.8°
CAECAFH9111.0°110.1°
CAECAFH10111.1°110.0°
CAFCAGCAH116.4°109.1°
CAGCAFH9111.1°109.9°
CAGCAFH10111.1°109.7°
CAFCAGH11107.8°109.4°
CAFCAGCAC104.0°106.5°
CAGCAHCAT113.9°120.0°
CAGCAHCAU128.7°120.0°
CAHCAGH11105.7°110.2°
CAHCAGCAC117.7°111.9°
CATCAHCAU112.8°120.0°
CAHCATH34109.5°109.5°
CAHCATH35109.5°109.5°
CAHCATH36109.5°109.5°
CAHCAUH37120.0°120.0°
CAHCAUH38120.0°120.0°
CAJCAKCAM123.4°121.3°
CAJCAKFAL112.2°119.0°
CAKCAJH17102.5°108.9°
CAKCAJH18102.5°108.7°
CAMCAKFAL105.1°119.7°
CAKCAMCAN108.8°118.0°
CAKCAMCAO120.5°123.0°
CANCAMCAO106.0°119.0°
CAMCANH21109.5°109.5°
CAMCANH22109.5°109.5°
CAMCANH23109.5°109.5°
CAMCAOCAP106.0°110.9°
CAMCAOH24110.4°108.2°
CAMCAOH25110.3°110.3°
CAOCAPCAQ107.8°113.3°
CAPCAOH24110.3°108.3°
CAPCAOH25110.3°111.2°
CAOCAPH26109.9°110.9°
CAOCAPH27109.9°107.9°
CAPCAQCAR120.3°129.3°
CAQCAPH26109.9°110.1°
CAQCAPH27109.9°107.9°
CAPCAQH28119.8°117.0°
CAQCARCAS108.8°117.3°
CARCAQH28119.9°113.8°
CARCASH31109.5°109.5°
CARCASH32109.5°109.4°
CARCASH33109.5°109.5°
H1CAAH2109.4°108.2°
H3CABH4109.5°109.2°
H5CACCAG102.5°107.9°
H7CAEH8109.4°110.8°
H9CAFH10109.5°110.7°
H11CAGCAC104.2°109.6°
H14CAIH15109.4°109.4°
H14CAIH16109.5°109.4°
H15CAIH16109.5°109.5°
H17CAJH18109.5°108.5°
H21CANH22109.4°109.5°
H21CANH23109.5°109.4°
H22CANH23109.5°109.4°
H24CAOH25109.5°107.8°
H26CAPH27109.5°106.4°
H31CASH32109.5°109.5°
H31CASH33109.4°109.5°
H32CASH33109.5°109.5°
H34CATH35109.5°109.4°
H34CATH36109.4°109.5°
H35CATH36109.4°109.4°
H37CAUH38120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABCAACARH1119.9°122.6°
CABCAACARH2120.0°118.3°
CAACABCACH3118.6°121.6°
CAACABCACH4118.6°117.3°
CAACABCACCAD124.9°75.1°
CABCAACARCAQ66.8°91.1°
CABCAACARCAS173.3°88.9°
CABCAAH1H2120.2°117.6°
CAACABH3H4124.0°116.8°
CAACABCACH54.2°44.0°
CAACABCACCAG105.4°163.1°
CARCAACABCAC178.3°162.5°
CAACARCAQCAP54.4°0.8°
CAACARCAQCAS123.7°180.0°
CARCAAH1H2120.2°119.3°
CARCAACABH363.1°39.8°
CARCAACABH459.7°78.4°
CAACARCAQH28125.6°179.4°
CAACARCASH31180.0°90.0°
CAACARCASH3260.0°150.0°
CAACARCASH3360.0°30.0°
CABCACCADH5119.8°119.2°
CABCACCADCAG131.8°124.4°
CABCACCADCAE111.6°124.6°
CABCACCADCAI142.6°117.7°
CABCACCADCAJ20.0°5.5°
CABCACCAGCAF98.2°138.5°
CABCACCAGCAH32.3°19.4°
CACCABCAAH161.7°39.0°
CACCABCAAH258.4°78.7°
CACCABH3H4123.9°121.5°
CABCACH5CAG116.1°122.0°
CABCACCAGH11148.9°103.2°
CACCADCAECAI106.2°117.9°
CACCADCAECAJ139.4°120.2°
CACCADCAICAJ134.6°122.8°
CACCADCAECAF1.4°14.1°
CADCACCAGCAF40.7°14.3°
CADCACCAGCAH171.2°104.8°
CACCADCAJCAK5.7°150.3°
CADCACCABH36.3°46.5°
CADCACCABH4116.5°167.6°
CADCACH5CAG111.0°116.3°
CACCADCAEH7118.0°133.3°
CACCADCAEH8120.9°104.6°
CADCACCAGH1172.2°132.7°
CACCADCAIH14180.0°60.1°
CACCADCAIH1560.0°180.0°
CACCADCAIH1660.0°59.9°
CACCADCAJH17117.6°29.3°
CACCADCAJH18128.9°89.6°
CAECADCAICAJ117.9°120.4°
CADCAECAFH7119.5°118.9°
CADCAECAFH8119.5°118.8°
CADCAECAFCAG27.7°23.0°
CAECADCAJCAK134.2°91.6°
CAECADCACH5128.6°116.3°
CADCAEH7H8121.6°121.5°
CADCAECAFH9146.7°96.1°
CADCAECAFH1091.2°141.8°
CAECADCAIH1472.5°176.9°
CAECADCAIH1547.5°63.1°
CAECADCAIH16167.5°56.9°
CAECADCAJH1711.0°147.3°
CAECADCAJH18102.5°28.4°
CAECADCACCAG20.2°0.1°
CAICADCAECAF107.6°103.8°
CAICADCAJCAK114.8°28.6°
CAICADCACH522.8°1.5°
CAICADCAEH711.9°15.4°
CAICADCAEH8132.9°137.4°
CADCAIH14H15120.0°120.0°
CADCAIH14H16120.0°120.1°
CADCAIH15H16120.0°120.1°
CAICADCAJH17122.0°92.5°
CAICADCAJH188.5°148.6°
CAICADCACCAG85.6°117.9°
CAJCADCAECAF138.0°134.3°
CADCAJCAKH17123.3°121.8°
CADCAJCAKH18123.2°120.2°
CADCAJCAKCAM13.6°118.3°
CADCAJCAKFAL113.7°62.1°
CAJCADCACH599.8°124.7°
CAJCADCAEH7102.5°106.5°
CAJCADCAEH818.5°15.5°
CAJCADCAIH1445.4°62.7°
CAJCADCAIH15165.4°57.2°
CAJCADCAIH1674.6°177.3°
CADCAJH17H18108.3°119.3°
CAJCADCACCAG151.8°118.9°
CAECAFCAGH9118.9°119.1°
CAECAFCAGH10119.0°118.9°
CAECAFCAGCAH169.6°97.8°
CAFCAEH7H8121.5°121.7°
CAECAFH9H10123.0°121.8°
CAECAFCAGH1171.8°141.5°
CAECAFCAGCAC38.4°23.1°
CAFCAGCAHH11119.7°120.2°
CAFCAGCAHCAC124.5°117.6°
CAFCAGCAHCAT63.5°57.5°
CAFCAGCAHCAU90.5°122.4°
CAFCAGCACH5151.3°102.2°
CAGCAFCAEH791.7°141.9°
CAGCAFCAEH8147.2°95.8°
CAGCAFH9H10123.0°121.4°
CAFCAGH11CAC110.1°116.5°
CAGCAHCATCAU158.2°179.9°
CAHCAGCACH578.2°138.6°
CAHCAGCAFH971.4°143.1°
CAHCAGCAFH1050.7°21.1°
CAHCAGH11CAC124.7°123.5°
CAGCAHCATH34180.0°90.1°
CAGCAHCATH3560.0°150.0°
CAGCAHCATH3660.0°30.0°
CAGCAHCAUH37154.2°0.0°
CAGCAHCAUH3825.7°180.0°
CATCAHCAGH1156.2°177.7°
CAHCATH34H35120.0°120.0°
CAHCATH34H36120.0°120.1°
CAHCATH35H36120.0°120.1°
CATCAHCAUH370.0°180.0°
CATCAHCAUH38180.0°0.0°
CATCAHCAGCAC172.0°60.0°
CAUCAHCAGH11149.8°2.2°
CAUCAHCATH3421.7°90.0°
CAUCAHCATH35141.8°29.9°
CAUCAHCATH3698.3°150.0°
CAHCAUH37H38180.0°180.0°
CAUCAHCAGCAC34.0°120.0°
CAJCAKCAMFAL130.3°179.5°
CAJCAKCAMCAN101.9°179.9°
CAJCAKCAMCAO135.5°0.0°
CAKCAJH17H18108.3°118.2°
CAKCAMCANCAO131.0°179.9°
CAKCAMCAOCAP121.1°55.9°
CAMCAKCAJH17109.7°3.5°
CAMCAKCAJH18136.8°121.5°
CAKCAMCANH21180.0°0.0°
CAKCAMCANH2260.0°120.1°
CAKCAMCANH2360.0°119.9°
CAKCAMCAOH24119.4°174.6°
CAKCAMCAOH251.7°67.8°
FALCAKCAMCAN127.8°0.6°
FALCAKCAMCAO5.2°179.5°
FALCAKCAJH17123.0°176.1°
FALCAKCAJH189.5°58.1°
CANCAMCAOCAP114.9°124.2°
CAMCANH21H22120.0°120.0°
CAMCANH21H23120.0°120.0°
CAMCANH22H23120.0°120.0°
CANCAMCAOH244.5°5.5°
CANCAMCAOH25125.6°112.1°
CAMCAOCAPH24119.5°118.7°
CAMCAOCAPH25119.4°123.1°
CAMCAOCAPCAQ53.0°147.0°
CAOCAMCANH2149.1°179.9°
CAOCAMCANH22169.0°59.8°
CAOCAMCANH2371.0°60.1°
CAMCAOH24H25121.6°119.3°
CAMCAOCAPH26172.8°22.6°
CAMCAOCAPH2766.7°93.6°
CAOCAPCAQH26119.7°124.8°
CAOCAPCAQH27119.7°119.4°
CAOCAPCAQCAR138.0°54.3°
CAPCAOH24H25121.6°120.4°
CAOCAPH26H27120.8°117.1°
CAOCAPCAQH2842.0°125.9°
CAPCAQCARH28180.0°179.8°
CAPCAQCARCAS69.3°179.3°
CAQCAPCAOH2466.4°94.3°
CAQCAPCAOH25172.5°23.9°
CAQCAPH26H27120.8°116.7°
CAQCARCAAH153.1°31.5°
CAQCARCAAH2173.2°150.5°
CARCAQCAPH26102.3°70.6°
CARCAQCAPH2718.3°173.7°
CAQCARCASH3161.9°90.0°
CAQCARCASH3258.1°30.0°
CAQCARCASH33178.1°150.0°
CASCARCAAH166.8°148.4°
CASCARCAAH253.3°29.4°
CASCARCAQH28110.7°0.6°
CARCASH31H32120.0°119.9°
CARCASH31H33120.0°120.0°
CARCASH32H33120.0°120.0°
H1CAACABH356.8°83.7°
H1CAACABH4179.6°158.1°
H2CAACABH3176.9°158.5°
H2CAACABH460.3°40.3°
H3CABCACH5114.4°165.6°
H3CABCACCAG136.0°75.3°
H4CABCACH5122.9°73.3°
H4CABCACCAG13.2°45.8°
H5CACCAGH1138.4°16.1°
H7CAECAFH927.2°22.9°
H7CAECAFH10149.3°99.3°
H8CAECAFH993.8°145.2°
H8CAECAFH1028.3°23.0°
H9CAFCAGH1147.1°22.4°
H9CAFCAGCAC157.3°96.0°
H10CAFCAGH11169.2°99.5°
H10CAFCAGCAC80.6°142.1°
H14CAIH15H16120.0°119.9°
H21CANH22H23120.0°120.0°
H24CAOCAPH2653.3°141.2°
H24CAOCAPH27173.8°25.1°
H25CAOCAPH2667.8°100.5°
H25CAOCAPH2752.7°143.3°
H26CAPCAQH2877.7°109.3°
H27CAPCAQH28161.7°6.5°
H31CASH32H33120.0°120.0°
H34CATH35H36120.0°120.0°

222624

PDB entries from 2024-07-17

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