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N0Q

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAECACsing1.43Å1.50Å
OAFCAJsing1.43Å1.39Å
CAOCAPsing1.53Å1.54Å
CAOCANsing1.53Å1.54Å
CAICAJsing1.53Å1.55Å
CAINABsing1.47Å1.44Å
CAMCALsing1.53Å1.48Å
CAMCANsing1.53Å1.44Å
CALCAAsing1.53Å1.60Å
CAJCACsing1.53Å1.48Å
CAPC1sing1.53Å1.55Å
CACCADsing1.53Å1.49Å
NABCAAsing1.47Å1.47Å
CAACADsing1.53Å1.52Å
N2C1sing1.46Å1.48Å
N2S3sing1.66Å1.62Å
CADCAHsing1.53Å1.51Å
C6S3sing1.76Å1.61Å
CAHOAKsing1.43Å1.43Å
O4S3doub1.42Å1.49Å
S3O5doub1.42Å1.45Å
N2H4sing0.97Å1.00Å
CAPH5sing1.09Å1.10Å
CAPH6sing1.09Å1.10Å
CAOH7sing1.09Å1.10Å
CAOH8sing1.09Å1.10Å
CANH9sing1.09Å1.10Å
CANH10sing1.09Å1.10Å
CAMH11sing1.09Å1.10Å
CAMH12sing1.09Å1.10Å
CALH13sing1.09Å1.10Å
CALH14sing1.09Å1.10Å
CAAH15sing1.09Å1.10Å
NABH16sing1.01Å1.00Å
CAIH18sing1.09Å1.10Å
CAIH19sing1.09Å1.10Å
CAJH20sing1.09Å1.10Å
OAFH21sing0.97Å0.95Å
CACH22sing1.09Å1.10Å
OAEH23sing0.97Å0.95Å
CADH24sing1.09Å1.10Å
CAHH25sing1.09Å1.10Å
CAHH26sing1.09Å1.10Å
OAKH27sing0.97Å0.95Å
C1H28sing1.09Å1.10Å
C1H29sing1.09Å1.10Å
C6C2sing1.41Å90.36ÅAromatic
C2C3doub1.42Å0.00ÅAromatic
C3C4sing1.40Å0.00ÅAromatic
C4C5doub1.36Å0.00ÅAromatic
C5C7sing1.39Å0.00ÅAromatic
C7C6doub1.36Å90.36ÅAromatic
C3C8sing1.41Å0.00ÅAromatic
C8C9doub1.38Å0.00ÅAromatic
C9C10sing1.39Å0.00ÅAromatic
C10C11doub1.36Å0.00ÅAromatic
C11C2sing1.41Å0.00ÅAromatic
C8N1sing1.39Å0.00Å
N1C13sing1.47Å0.00Å
N1C14sing1.47Å0.00Å
C4H1sing1.08Å0.00Å
C5H2sing1.08Å0.00Å
C7H3sing1.08Å0.00Å
C9H17sing1.08Å0.00Å
C10H30sing1.08Å0.00Å
C11H31sing1.08Å0.00Å
C13H32sing1.09Å0.00Å
C13H33sing1.09Å0.00Å
C13H34sing1.09Å0.00Å
C14H35sing1.09Å0.00Å
C14H36sing1.09Å0.00Å
C14H37sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAECACCAJ107.9°109.5°
OAECACCAD109.3°109.5°
OAECACH22109.7°109.6°
CACOAEH23109.5°114.0°
OAFCAJCAI108.2°109.5°
OAFCAJCAC111.4°109.5°
OAFCAJH20110.3°109.6°
CAJOAFH21109.5°114.0°
CAPCAOCAN109.9°109.5°
CAOCAPC1116.4°109.5°
CAOCAPH5107.7°109.5°
CAOCAPH6107.7°109.5°
CAPCAOH7109.4°109.5°
CAPCAOH8109.4°109.5°
CAOCANCAM111.5°109.5°
CANCAOH7109.4°109.4°
CANCAOH8109.4°109.5°
CAOCANH9109.0°109.5°
CAOCANH10108.9°109.5°
CAJCAINAB107.2°109.5°
CAICAJCAC109.6°109.3°
CAJCAIH18110.0°109.5°
CAJCAIH19110.0°109.5°
CAICAJH20108.2°109.5°
CAINABCAA112.3°111.2°
CAINABH16108.8°111.0°
NABCAIH18110.1°109.4°
NABCAIH19110.0°109.4°
CALCAMCAN102.7°109.5°
CAMCALCAA107.1°109.5°
CALCAMH11111.1°109.5°
CALCAMH12111.1°109.4°
CAMCALH13110.1°109.5°
CAMCALH14110.0°109.5°
CAMCANH9108.9°109.5°
CAMCANH10109.0°109.4°
CANCAMH11111.1°109.5°
CANCAMH12111.1°109.5°
CALCAANAB111.1°109.4°
CALCAACAD113.7°109.5°
CAACALH13110.0°109.5°
CAACALH14110.1°109.4°
CALCAAH15106.9°109.4°
CAJCACCAD110.2°109.2°
CACCAJH20109.0°109.4°
CAJCACH22109.9°109.5°
CAPC1N2105.6°109.5°
C1CAPH5107.7°109.5°
C1CAPH6107.7°109.4°
CAPC1H28110.4°109.5°
CAPC1H29110.5°109.5°
CACCADCAA113.7°109.3°
CACCADCAH113.9°109.5°
CADCACH22109.8°109.5°
CACCADH24107.4°109.5°
NABCAACAD108.8°109.5°
NABCAAH15108.4°109.5°
CAANABH16108.7°111.0°
CAACADCAH107.3°109.5°
CADCAAH15107.7°109.5°
CAACADH24107.0°109.5°
C1N2S3120.3°120.0°
C1N2H4106.7°120.1°
N2C1H28110.5°109.5°
N2C1H29110.4°109.5°
N2S3C6107.3°107.2°
N2S3O4108.3°106.4°
N2S3O5111.7°106.4°
S3N2H4106.7°120.0°
CADCAHOAK113.5°109.5°
CAHCADH24107.2°109.5°
CADCAHH25108.4°109.4°
CADCAHH26108.5°109.5°
C6S3O4111.3°106.4°
C6S3O5105.8°106.4°
S3C6C288.8°120.2°
S3C6C788.8°120.1°
OAKCAHH25108.5°109.5°
OAKCAHH26108.5°109.5°
CAHOAKH27109.5°114.0°
O4S3O5112.3°123.2°
H5CAPH6109.5°109.5°
H7CAOH8109.4°109.5°
H9CANH10109.5°109.5°
H11CAMH12109.5°109.4°
H13CALH14109.5°109.4°
H18CAIH19109.5°109.5°
H25CAHH26109.5°109.5°
H28C1H29109.4°109.4°
C6C2C390.0°119.3°
C2C6C70.0°119.7°
C6C2C1190.0°121.2°
C2C3C490.0°119.4°
C2C3C890.0°119.3°
C3C2C1190.0°119.5°
C3C4C590.0°119.7°
C4C3C890.0°121.3°
C3C4H190.0°120.2°
C4C5C790.0°120.9°
C5C4H190.0°120.1°
C4C5H290.0°119.5°
C5C7C690.0°121.0°
C7C5H290.0°119.6°
C5C7H390.0°119.5°
C6C7H390.0°119.5°
C3C8C990.0°119.4°
C3C8N190.0°120.3°
C8C9C1090.0°120.7°
C9C8N190.0°120.3°
C8C9H1790.0°119.6°
C9C10C1190.0°121.1°
C10C9H1790.0°119.7°
C9C10H3090.0°119.4°
C10C11C290.0°120.0°
C11C10H3090.0°119.5°
C10C11H3190.0°120.0°
C2C11H3190.0°120.0°
C8N1C1390.0°111.0°
C8N1C1490.0°111.0°
C13N1C1490.0°111.0°
N1C13H3290.0°109.5°
N1C13H3390.0°109.5°
N1C13H3490.0°109.4°
N1C14H3590.0°109.5°
N1C14H3690.0°109.5°
N1C14H3790.0°109.5°
H32C13H3390.0°109.5°
H32C13H3490.0°109.4°
H33C13H3490.0°109.5°
H35C14H3690.0°109.5°
H35C14H3790.0°109.4°
H36C14H3790.0°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAECACCAJOAF56.6°57.6°
OAECACCAJCAI63.2°177.6°
OAECACCAJCAD119.3°119.9°
OAECACCAJH22119.6°120.2°
OAECACCADH22120.3°120.2°
OAECACCADCAA66.7°177.5°
OAECACCADCAH56.7°57.6°
OAECACCAJH20178.5°62.5°
OAECACCADH24175.2°62.5°
OAFCAJCAICAC121.7°119.9°
OAFCAJCAIH20119.5°120.2°
OAFCAJCAINAB175.9°60.7°
OAFCAJCACH20122.0°120.1°
OAFCAJCACCAD175.8°62.3°
OAFCAJCAIH1864.4°179.3°
OAFCAJCAIH1956.3°59.2°
OAFCAJCACH2263.1°177.8°
CAPCAOCANH7120.1°120.0°
CAPCAOCANH8120.1°120.0°
CAPCAOCANCAM147.7°180.0°
CAOCAPC1H5121.0°120.0°
CAOCAPC1H6121.0°119.9°
CAOCAPC1N2123.5°180.0°
CAOCAPH5H6116.8°120.0°
CAPCAOH7H8119.8°120.0°
CAPCAOCANH992.0°60.0°
CAPCAOCANH1027.4°60.0°
CAOCAPC1H284.0°60.0°
CAOCAPC1H29117.2°60.0°
CAOCANCAMCAL122.2°180.0°
CAOCANCAMH9120.3°120.0°
CAOCANCAMH10120.3°120.0°
CANCAOCAPC148.0°180.0°
CANCAOCAPH573.0°60.0°
CANCAOCAPH6169.0°60.1°
CANCAOH7H8119.8°119.9°
CAOCANH9H10119.1°120.0°
CAOCANCAMH113.3°60.0°
CAOCANCAMH12118.9°60.0°
CAJCAINABH18119.7°120.1°
CAJCAINABH19119.6°120.0°
CAICAJCACH20118.3°119.9°
CAICAJCACCAD56.1°57.7°
CAJCAINABCAA64.7°61.8°
CAJCAINABH16174.9°62.3°
CAJCAIH18H19121.0°120.0°
CAICAJOAFH21180.0°60.0°
CAICAJCACH22177.2°62.2°
CAINABCAACAL66.9°178.2°
NABCAICAJCAC62.4°59.2°
CAINABCAAH16120.4°124.1°
CAINABCAACAD59.1°61.8°
CAINABCAAH15175.9°58.3°
NABCAIH18H19121.0°119.9°
NABCAICAJH2056.4°179.1°
CALCAMCANH11118.9°120.1°
CALCAMCANH12118.9°120.0°
CAMCALCAAH13119.7°120.1°
CAMCALCAAH14119.6°120.0°
CAMCALCAANAB78.2°65.0°
CAMCALCAACAD158.7°175.0°
CALCAMCANH91.9°59.9°
CALCAMCANH10117.5°60.0°
CALCAMH11H12123.1°119.9°
CAMCALH13H14121.1°120.0°
CAMCALCAAH1539.9°55.0°
CANCAMCALCAA96.7°180.0°
CAMCANCAOH727.6°60.0°
CAMCANCAOH892.2°60.0°
CAMCANH9H10119.1°120.0°
CANCAMH11H12123.1°120.0°
CANCAMCALH13143.6°60.0°
CANCAMCALH1422.9°60.0°
CALCAACADCAC72.9°179.2°
CALCAANABCAD125.9°120.0°
CALCAANABH15117.2°119.9°
CALCAACADH15118.3°119.9°
CALCAACADCAH53.9°59.2°
CAACALCAMH11144.3°59.9°
CAACALCAMH1222.2°60.0°
CAACALH13H14121.1°119.9°
CALCAANABH1653.6°57.7°
CALCAACADH24168.7°60.9°
CAJCACCADH22121.2°119.9°
CAJCACCADCAA51.8°57.6°
CAJCACCADCAH175.1°62.3°
CACCAJCAIH1857.3°60.8°
CACCAJCAIH19178.0°179.2°
CACCAJOAFH2159.4°179.8°
CAJCACOAEH23180.0°60.1°
CAJCACCADH2466.4°177.6°
CAPC1N2H28119.4°120.0°
CAPC1N2H29119.4°120.1°
CAPC1N2S3172.4°163.6°
CAPC1N2H450.9°16.4°
C1CAPH5H6116.8°120.0°
C1CAPCAOH772.1°60.0°
C1CAPCAOH8168.1°60.0°
CAPC1H28H29121.8°120.1°
CACCADCAANAB51.5°59.2°
CACCADCAACAH126.8°119.9°
CACCADCAAH24118.4°120.0°
CACCADCAHH24118.6°120.1°
CACCADCAHOAK64.6°172.5°
CACCADCAAH15168.8°60.9°
CADCACCAJH2062.2°177.6°
CADCACOAEH2360.1°179.7°
CACCADCAHH2556.0°52.5°
CACCADCAHH26174.8°67.5°
NABCAACADH15117.3°120.1°
NABCAACADCAH178.3°60.8°
NABCAACALH1341.4°55.1°
NABCAACALH14162.2°175.0°
CAANABCAIH1854.9°58.3°
CAANABCAIH19175.6°178.3°
NABCAACADH2466.9°179.1°
CAACADCAHH24114.7°120.1°
CAACADCAHOAK168.7°67.7°
CADCAACALH1381.7°65.0°
CADCAACALH1439.0°55.0°
CADCAANABH16179.5°62.3°
CAACADCACH22173.0°62.3°
CAACADCAHH2570.7°172.3°
CAACADCAHH2648.1°52.3°
C1N2S3H4121.5°180.0°
C1N2S3C6169.2°65.2°
C1N2S3O470.6°48.4°
C1N2S3O553.7°178.7°
N2C1CAPH5115.5°60.0°
N2C1CAPH62.4°60.0°
N2C1H28H29121.8°120.0°
N2S3C6O4118.4°113.6°
N2S3C6O5119.4°113.5°
N2S3O4O5123.9°122.9°
S3N2C1H2868.2°76.4°
S3N2C1H2953.0°43.5°
N2S3C6C228.4°64.2°
N2S3C6C728.4°116.1°
CADCAHOAKH25120.6°120.0°
CADCAHOAKH26120.6°120.0°
CAHCADCAAH1564.4°179.2°
CAHCADCACH2263.7°177.8°
CADCAHH25H26118.2°120.0°
CADCAHOAKH27180.0°180.0°
C6S3O4O5118.4°122.9°
C6S3N2H447.7°114.8°
S3C6C2C790.0°179.8°
S3C6C2C390.0°180.0°
S3C6C7C590.0°179.6°
S3C6C2C1190.0°0.0°
S3C6C7H390.0°0.3°
OAKCAHCADH2454.1°52.4°
OAKCAHH25H26118.2°120.0°
O4S3N2H4167.9°131.7°
O4S3C6C289.9°177.7°
O4S3C6C789.9°2.5°
O5S3N2H467.8°1.2°
O5S3C6C2147.8°49.3°
O5S3C6C7147.8°130.4°
H4N2C1H28170.3°103.6°
H4N2C1H2968.5°136.5°
H5CAPCAOH7166.9°60.0°
H5CAPCAOH847.1°180.0°
H5CAPC1H28125.0°60.0°
H5CAPC1H293.9°180.0°
H6CAPCAOH748.9°180.0°
H6CAPCAOH870.9°59.9°
H6CAPC1H28117.0°180.0°
H6CAPC1H29121.8°60.0°
H7CAOCANH9147.9°180.0°
H7CAOCANH1092.7°60.0°
H8CAOCANH928.1°60.0°
H8CAOCANH10147.5°180.0°
H9CANCAMH11117.0°180.0°
H9CANCAMH12120.8°60.0°
H10CANCAMH11123.6°60.0°
H10CANCAMH121.4°180.0°
H11CAMCALH1324.7°180.0°
H11CAMCALH1496.0°60.0°
H12CAMCALH1397.5°60.0°
H12CAMCALH14141.8°180.0°
H13CALCAAH15159.6°175.1°
H14CALCAAH1579.7°65.0°
H15CAANABH1663.6°177.6°
H15CAACADH2450.4°59.1°
H16NABCAIH1865.5°177.6°
H16NABCAIH1955.2°57.7°
H18CAICAJH20176.1°59.1°
H19CAICAJH2063.2°60.9°
H20CAJOAFH2161.8°60.2°
H20CAJCACH2258.9°57.7°
H22CACOAEH2360.2°60.1°
H22CACCADH2454.8°57.7°
H24CADCAHH25174.6°67.6°
H24CADCAHH2666.5°172.4°
H25CAHOAKH2759.4°60.1°
H26CAHOAKH2759.4°60.0°
C6C2C3C1190.0°180.0°
C6C2C3C490.0°0.1°
C2C6C7C590.0°0.6°
C6C2C3C890.0°180.0°
C6C2C11C1090.0°180.0°
C2C6C7H390.0°180.0°
C6C2C11H3190.0°0.0°
C2C3C4C890.0°179.9°
C2C3C4C590.0°0.0°
C3C2C6C790.0°0.3°
C2C3C8C990.0°0.1°
C3C2C11C1090.0°0.0°
C2C3C8N190.0°180.0°
C2C3C4H190.0°179.9°
C3C2C11H3190.0°180.0°
C3C4C5H190.0°179.9°
C3C4C5C790.0°0.3°
C4C3C8C990.0°180.0°
C4C3C2C1190.0°180.0°
C4C3C8N190.0°0.1°
C3C4C5H290.0°180.0°
C4C5C7H290.0°179.6°
C4C5C7C690.0°0.7°
C5C4C3C890.0°179.9°
C4C5C7H390.0°180.0°
C5C7C6H390.0°179.3°
C7C5C4H190.0°179.7°
C7C6C2C1190.0°179.7°
C6C7C5H290.0°179.7°
C3C8C9N190.0°179.9°
C3C8C9C1090.0°0.1°
C8C3C2C1190.0°0.0°
C3C8N1C1390.0°120.0°
C3C8N1C1490.0°116.0°
C8C3C4H190.0°0.0°
C3C8C9H1790.0°180.0°
C8C9C10H1790.0°180.0°
C8C9C10C1190.0°0.0°
C9C8N1C1390.0°60.0°
C9C8N1C1490.0°63.9°
C8C9C10H3090.0°180.0°
C9C10C11H3090.0°180.0°
C9C10C11C290.0°0.0°
C10C9C8N190.0°180.0°
C9C10C11H3190.0°180.0°
C10C11C2H3190.0°180.0°
C11C10C9H1790.0°180.0°
C2C11C10H3090.0°180.0°
C8N1C13C1490.0°124.0°
N1C8C9H1790.0°0.1°
C8N1C13H3290.0°60.0°
C8N1C13H3390.0°180.0°
C8N1C13H3490.0°60.0°
C8N1C14H3590.0°60.0°
C8N1C14H3690.0°180.0°
C8N1C14H3790.0°60.0°
N1C13H32H3390.0°120.0°
N1C13H32H3490.0°119.9°
N1C13H33H3490.0°120.0°
C13N1C14H3590.0°176.1°
C13N1C14H3690.0°56.0°
C13N1C14H3790.0°64.0°
C14N1C13H3290.0°64.0°
C14N1C13H3390.0°56.0°
C14N1C13H3490.0°176.0°
N1C14H35H3690.0°120.1°
N1C14H35H3790.0°120.0°
N1C14H36H3790.0°120.0°
H1C4C5H290.0°0.1°
H2C5C7H390.0°0.3°
H17C9C10H3090.0°0.0°
H30C10C11H3190.0°0.0°
H32C13H33H3490.0°120.0°
H35C14H36H3790.0°119.9°

222624

PDB entries from 2024-07-17

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