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58X

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAICAGsing1.51Å1.50Å
CAFCABsing1.51Å1.50Å
OALCAJdoub1.22Å1.31Å
CAGCAEsing1.51Å1.51Å
CAGCAHdoub1.33Å1.33Å
CABCACdoub1.31Å1.33Å
CABCAAsing1.51Å1.50Å
CAECADsing1.53Å1.53Å
CADCACsing1.51Å1.50Å
CAJCAHsing1.47Å1.47Å
CAJOAKsing1.35Å1.21Å
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CACH4sing1.08Å1.08Å
CADH5sing1.09Å1.10Å
CADH6sing1.09Å1.10Å
CAEH7sing1.09Å1.10Å
CAEH8sing1.09Å1.10Å
CAFH9sing1.09Å1.10Å
CAFH10sing1.09Å1.10Å
CAFH11sing1.09Å1.10Å
CAHH12sing1.08Å1.08Å
CAIH13sing1.09Å1.10Å
CAIH14sing1.09Å1.10Å
CAIH15sing1.09Å1.10Å
OAKH16sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAICAGCAE115.4°120.0°
CAICAGCAH125.1°120.0°
CAGCAIH13109.5°109.4°
CAGCAIH14109.4°109.5°
CAGCAIH15109.4°109.4°
CAFCABCAC124.2°120.0°
CAFCABCAA114.2°120.0°
CABCAFH9109.5°109.5°
CABCAFH10109.5°109.5°
CABCAFH11109.5°109.5°
OALCAJCAH117.7°120.0°
OALCAJOAK122.7°120.0°
CAECAGCAH119.5°120.0°
CAGCAECAD105.4°109.5°
CAGCAEH7110.5°109.5°
CAGCAEH8110.5°109.5°
CAGCAHCAJ130.0°120.0°
CAGCAHH12115.0°120.1°
CACCABCAA121.6°120.0°
CABCACCAD130.4°120.0°
CABCACH4114.8°120.0°
CABCAAH1109.5°109.5°
CABCAAH2109.5°109.4°
CABCAAH3109.5°109.5°
CAECADCAC113.1°109.5°
CAECADH5108.6°109.4°
CAECADH6108.5°109.5°
CADCAEH7110.5°109.5°
CADCAEH8110.5°109.5°
CADCACH4114.8°120.0°
CACCADH5108.5°109.5°
CACCADH6108.6°109.5°
CAHCAJOAK119.6°120.1°
CAJCAHH12115.0°119.9°
CAJOAKH16109.5°117.1°
H1CAAH2109.4°109.5°
H1CAAH3109.5°109.5°
H2CAAH3109.5°109.4°
H5CADH6109.5°109.5°
H7CAEH8109.5°109.5°
H9CAFH10109.5°109.5°
H9CAFH11109.5°109.5°
H10CAFH11109.4°109.4°
H13CAIH14109.4°109.5°
H13CAIH15109.5°109.5°
H14CAIH15109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAICAGCAECAH179.4°180.0°
CAICAGCAECAD87.5°85.0°
CAICAGCAHCAJ1.0°9.8°
CAICAGCAEH7153.1°155.0°
CAICAGCAEH831.8°34.9°
CAICAGCAHH12179.0°170.3°
CAGCAIH13H14120.0°120.0°
CAGCAIH13H15120.0°120.0°
CAGCAIH14H15120.0°120.0°
CAFCABCACCAA178.4°179.9°
CAFCABCACCAD2.5°6.7°
CAFCABCAAH1180.0°89.9°
CAFCABCAAH260.0°30.0°
CAFCABCAAH360.0°150.0°
CAFCABCACH4177.5°173.3°
CABCAFH9H10120.0°120.0°
CABCAFH9H11120.0°120.0°
CABCAFH10H11120.0°120.0°
OALCAJCAHCAG2.2°5.8°
OALCAJCAHOAK179.7°179.9°
OALCAJCAHH12177.8°174.1°
OALCAJOAKH160.0°0.1°
CAGCAECADH7119.4°120.0°
CAGCAECADH8119.3°120.0°
CAGCAECADCAC176.9°180.0°
CAECAGCAHCAJ178.3°170.3°
CAGCAECADH562.6°60.0°
CAGCAECADH656.4°60.0°
CAGCAEH7H8121.9°120.0°
CAECAGCAHH121.7°9.7°
CAECAGCAIH13180.0°95.5°
CAECAGCAIH1460.0°144.5°
CAECAGCAIH1560.0°24.4°
CAHCAGCAECAD91.8°95.0°
CAGCAHCAJH12180.0°180.0°
CAGCAHCAJOAK177.5°174.1°
CAHCAGCAEH727.5°25.0°
CAHCAGCAEH8148.8°145.0°
CAHCAGCAIH130.7°84.5°
CAHCAGCAIH14119.3°35.5°
CAHCAGCAIH15120.7°155.5°
CABCACCADCAE115.7°125.1°
CABCACCADH4180.0°180.0°
CACCABCAAH11.4°90.0°
CACCABCAAH2118.6°150.0°
CACCABCAAH3121.4°30.1°
CABCACCADH54.8°114.9°
CABCACCADH6123.8°5.1°
CACCABCAFH9180.0°6.7°
CACCABCAFH1060.0°126.8°
CACCABCAFH1160.0°113.3°
CAACABCACCAD179.1°173.3°
CABCAAH1H2120.0°120.0°
CABCAAH1H3120.0°120.1°
CABCAAH2H3120.0°120.0°
CAACABCACH40.9°6.7°
CAACABCAFH91.5°173.3°
CAACABCAFH10118.5°53.3°
CAACABCAFH11121.5°66.6°
CAECADCACH5120.5°119.9°
CAECADCACH6120.5°120.0°
CAECADCACH464.3°54.9°
CAECADH5H6118.3°120.0°
CADCAEH7H8121.9°120.0°
CACCADH5H6118.4°120.1°
CACCADCAEH757.5°60.0°
CACCADCAEH863.8°60.0°
CAHCAJOAKH16179.7°180.0°
OAKCAJCAHH122.5°5.9°
H1CAAH2H3120.0°120.0°
H4CACCADH5175.2°65.1°
H4CACCADH656.2°174.9°
H5CADCAEH7178.0°180.0°
H5CADCAEH856.7°60.0°
H6CADCAEH763.0°60.0°
H6CADCAEH8175.7°180.0°
H9CAFH10H11120.0°120.0°
H13CAIH14H15120.0°120.0°

217705

PDB entries from 2024-03-27

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