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EJI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F1C2sing1.35Å1.34Å
C2C3doub1.38Å1.41ÅAromatic
C2C7sing1.38Å1.42ÅAromatic
C3C4sing1.38Å1.39ÅAromatic
C4C5doub1.38Å1.41ÅAromatic
C5C6sing1.38Å1.41ÅAromatic
C5C8sing1.51Å1.49Å
C6C7doub1.38Å1.41ÅAromatic
C8C9sing1.51Å1.56Å
C8C25sing1.53Å1.58Å
C9O10doub1.21Å1.22Å
C9N11sing1.35Å1.38Å
N11C12sing1.47Å1.44Å
N11C25sing1.47Å1.50Å
C12C13sing1.53Å1.56Å
C12C24sing1.53Å1.54Å
C13C14sing1.53Å1.54Å
C14N15sing1.47Å1.51Å
N15C16sing1.35Å1.43Å
N15C23sing1.47Å1.50Å
C16O17doub1.21Å1.24Å
C23C24sing1.53Å1.55Å
C25C26sing1.51Å1.50Å
C26C27doub1.38Å1.39ÅAromatic
C26C35sing1.38Å1.42ÅAromatic
C27C28sing1.38Å1.40ÅAromatic
C28C29doub1.40Å1.40ÅAromatic
C29C30sing1.48Å1.48Å
C29C34sing1.40Å1.41ÅAromatic
C30O31doub1.22Å1.23Å
C30O32sing1.35Å1.38Å
O32C33sing1.45Å1.43Å
C34C35doub1.38Å1.41ÅAromatic
C7H39sing1.08Å1.08Å
C8H40sing1.09Å1.10Å
C6H38sing1.08Å1.08Å
C4H37sing1.08Å1.08Å
C3H36sing1.08Å1.08Å
C12H41sing1.09Å1.10Å
C13H42sing1.09Å1.10Å
C13H43sing1.09Å1.10Å
C14H44sing1.09Å1.10Å
C14H45sing1.09Å1.10Å
C16H16sing1.08Å1.08Å
C23H48sing1.09Å1.10Å
C23H49sing1.09Å1.10Å
C24H51sing1.09Å1.10Å
C24H50sing1.09Å1.10Å
C25H52sing1.09Å1.10Å
C27H53sing1.08Å1.08Å
C28H54sing1.08Å1.08Å
C33H56sing1.09Å1.10Å
C33H57sing1.09Å1.10Å
C33H55sing1.09Å1.10Å
C34H58sing1.08Å1.08Å
C35H59sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F1C2C3117.6°120.0°
F1C2C7120.4°120.1°
C3C2C7122.0°120.0°
C2C3C4118.7°120.0°
C2C3H36120.6°120.0°
C2C7C6118.3°119.9°
C2C7H39120.9°120.0°
C3C4C5120.5°120.0°
C3C4H37119.7°120.0°
C4C3H36120.6°120.0°
C4C5C6120.3°120.1°
C4C5C8117.8°119.9°
C5C4H37119.8°120.0°
C6C5C8121.9°120.0°
C5C6C7120.1°120.1°
C5C6H38119.9°120.0°
C5C8C9116.0°113.3°
C5C8C25114.8°113.3°
C5C8H40113.0°112.7°
C6C7H39120.8°120.0°
C7C6H38119.9°119.9°
C9C8C2586.9°89.0°
C8C9O10136.1°135.5°
C8C9N1190.5°88.9°
C9C8H40111.9°113.3°
C8C25N1185.8°83.9°
C8C25C26113.8°114.1°
C25C8H40111.7°113.3°
C8C25H52113.0°114.1°
O10C9N11133.3°135.6°
C9N11C12133.9°130.9°
C9N11C2596.6°98.3°
C12N11C25129.4°130.9°
N11C12C13109.3°109.4°
N11C12C24107.8°109.4°
N11C12H41110.8°109.5°
N11C25C26112.7°114.2°
N11C25H52114.3°114.1°
C13C12C24110.3°109.6°
C12C13C14109.0°109.3°
C13C12H41109.2°109.4°
C12C13H42109.6°109.5°
C12C13H43109.6°109.5°
C12C24C23108.5°109.3°
C24C12H41109.4°109.5°
C12C24H51109.7°109.6°
C12C24H50109.7°109.5°
C13C14N15111.4°108.8°
C14C13H42109.5°109.5°
C14C13H43109.6°109.5°
C13C14H44109.0°109.6°
C13C14H45109.0°109.6°
C14N15C16123.8°120.7°
C14N15C23113.0°118.7°
N15C14H44109.0°109.6°
N15C14H45109.0°109.5°
C16N15C23116.4°120.6°
N15C16O17122.3°120.0°
N15C16H16118.9°120.0°
N15C23C24109.9°108.7°
N15C23H48109.3°109.6°
N15C23H49109.3°109.6°
O17C16H16118.8°120.0°
C24C23H48109.4°109.6°
C24C23H49109.3°109.6°
C23C24H51109.7°109.5°
C23C24H50109.7°109.4°
C25C26C27118.8°119.9°
C25C26C35120.7°119.8°
C26C25H52114.2°113.3°
C27C26C35120.4°120.3°
C26C27C28119.8°120.1°
C26C27H53120.1°119.9°
C26C35C34120.2°120.2°
C26C35H59119.9°119.9°
C27C28C29119.8°119.9°
C28C27H53120.1°120.0°
C27C28H54120.1°120.0°
C28C29C30116.8°120.2°
C28C29C34121.3°119.7°
C29C28H54120.1°120.1°
C30C29C34121.8°120.1°
C29C30O31125.2°120.0°
C29C30O32113.5°120.0°
C29C34C35118.4°119.8°
C29C34H58120.8°120.1°
O31C30O32121.3°120.0°
C30O32C33118.6°117.0°
O32C33H56109.5°109.5°
O32C33H57109.5°109.5°
O32C33H55109.5°109.5°
C35C34H58120.8°120.1°
C34C35H59119.9°119.9°
H42C13H43109.5°109.5°
H44C14H45109.5°109.7°
H48C23H49109.5°109.7°
H51C24H50109.4°109.5°
H56C33H57109.4°109.5°
H56C33H55109.5°109.5°
H57C33H55109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F1C2C3C7180.0°179.9°
F1C2C3C4179.2°180.0°
F1C2C7C6179.6°179.7°
F1C2C7H390.4°0.0°
F1C2C3H360.7°0.3°
C2C3C4H36180.0°179.7°
C2C3C4C50.3°0.3°
C3C2C7C60.4°0.4°
C3C2C7H39179.6°180.0°
C2C3C4H37179.7°180.0°
C7C2C3C40.7°0.1°
C2C7C6C50.4°0.3°
C2C7C6H39180.0°179.6°
C2C7C6H38179.7°179.7°
C7C2C3H36179.3°179.7°
C3C4C5H37180.0°179.7°
C3C4C5C60.4°0.3°
C3C4C5C8178.9°179.7°
C4C5C6C8178.5°180.0°
C4C5C6C70.7°0.0°
C4C5C8C9175.1°40.5°
C4C5C8C2585.7°59.0°
C4C5C8H4043.9°170.8°
C4C5C6H38179.3°179.9°
C5C4C3H36179.7°180.0°
C5C6C7H38180.0°179.9°
C6C5C8C93.4°139.5°
C6C5C8C2595.8°121.0°
C5C6C7H39179.7°180.0°
C6C5C8H40134.6°9.3°
C6C5C4H37179.6°180.0°
C8C5C6C7179.2°180.0°
C5C8C9C25116.2°115.0°
C5C8C9H40131.7°130.0°
C5C8C25H40130.2°130.0°
C5C8C9O1063.3°64.9°
C5C8C9N11118.5°115.0°
C5C8C25N11119.5°115.0°
C5C8C25C26127.5°131.2°
C8C5C6H380.8°0.0°
C8C5C4H371.1°0.0°
C5C8C25H524.9°1.3°
C9C8C25H40112.4°115.0°
C8C9O10N11177.5°179.9°
C8C9N11C12177.4°180.0°
C9C8C25N112.2°0.0°
C9C8C25C26115.2°113.8°
C9C8C25H52112.5°113.7°
C25C8C9O10179.5°180.0°
C8C25N11C12177.5°180.0°
C8C25N11C26114.0°113.7°
C8C25N11H52113.4°113.7°
C8C25C26H52131.8°132.9°
C8C25C26C27139.7°107.3°
C8C25C26C3543.9°72.4°
O10C9N11C120.8°0.0°
O10C9N11C25179.2°180.0°
O10C9C8H4068.4°65.0°
C9N11C12C25179.9°180.0°
C9N11C12C1342.3°54.5°
C9N11C12C2477.6°65.6°
C9N11C25C26116.5°113.7°
N11C9C8H40109.8°115.0°
C9N11C12H41162.7°174.4°
C9N11C25H52110.9°113.7°
N11C12C13C24118.4°120.0°
N11C12C13H41121.4°119.9°
N11C12C24H41120.6°120.0°
N11C12C13C14176.9°178.6°
N11C12C24C23179.9°178.6°
C12N11C25C2663.4°66.3°
N11C12C13H4263.2°58.7°
N11C12C13H4356.9°61.5°
N11C12C24H5160.0°61.4°
N11C12C24H5060.2°58.7°
C12N11C25H5269.2°66.3°
C25N11C12C13137.6°125.6°
C25N11C12C24102.5°114.4°
N11C25C26H52132.6°132.9°
N11C25C26C27124.7°158.5°
N11C25C26C3551.7°21.7°
N11C25C8H40110.2°115.0°
C25N11C12H4117.2°5.6°
C13C12C24H41120.1°120.1°
C12C13C14H42119.9°120.0°
C12C13C14H43119.9°119.9°
C12C13C14N1554.7°54.6°
C13C12C24C2360.6°61.4°
C12C13H42H43120.2°120.1°
C12C13C14H4465.6°65.2°
C12C13C14H45175.1°174.4°
C13C12C24H5159.3°58.5°
C13C12C24H50179.5°178.7°
C24C12C13C1458.5°61.4°
C12C24C23N1559.1°54.6°
C12C24C23H51119.9°120.0°
C12C24C23H50119.9°119.9°
C24C12C13H42178.4°178.7°
C24C12C13H4361.4°58.5°
C12C24C23H4860.9°65.1°
C12C24C23H49179.2°174.4°
C12C24H51H50120.4°120.2°
C13C14N15H44120.3°119.8°
C13C14N15H45120.3°119.8°
C13C14N15C16154.4°126.3°
C13C14N15C2355.7°53.6°
C14C13C12H4161.7°58.7°
C14C13H42H43120.2°120.1°
C13C14H44H45119.1°120.3°
C14N15C16C23148.9°180.0°
C14N15C16O17160.4°180.0°
C14N15C23C2457.3°53.6°
N15C14C13H42174.7°174.6°
N15C14C13H4365.2°65.3°
N15C14H44H45119.2°120.3°
C14N15C16H1619.6°0.0°
C14N15C23H4862.7°66.2°
C14N15C23H49177.4°173.4°
N15C16O17H16180.0°180.0°
C16N15C23C24150.4°126.4°
C16N15C14H4485.3°113.8°
C16N15C14H4534.1°6.6°
C16N15C23H4889.5°113.8°
C16N15C23H4930.4°6.6°
C23N15C16O1711.5°0.0°
N15C23C24H48120.1°119.8°
N15C23C24H49120.0°119.8°
C23N15C14H4464.5°66.2°
C23N15C14H45176.0°173.4°
C23N15C16H16168.5°180.0°
N15C23H48H49119.8°120.3°
N15C23C24H5160.7°65.4°
N15C23C24H50179.0°174.6°
C23C24C12H4159.5°58.6°
C24C23H48H49119.8°120.4°
C23C24H51H50120.4°120.0°
C25C26C27C35176.4°179.8°
C25C26C27C28179.1°180.0°
C25C26C35C34178.5°179.8°
C26C25C8H402.8°1.2°
C25C26C27H530.8°0.1°
C25C26C35H591.4°0.0°
C26C27C28H53180.0°179.9°
C26C27C28C291.1°0.0°
C27C26C35C342.3°0.5°
C27C26C25H527.9°25.6°
C26C27C28H54178.9°180.0°
C27C26C35H59177.7°179.7°
C35C26C27C282.8°0.3°
C26C35C34C290.0°0.4°
C26C35C34H59180.0°179.8°
C35C26C25H52175.7°154.7°
C35C26C27H53177.2°179.8°
C26C35C34H58180.0°179.7°
C27C28C29H54180.0°180.0°
C27C28C29C30176.7°179.9°
C27C28C29C341.1°0.1°
C28C29C30C34175.5°179.9°
C28C29C30O316.3°0.1°
C28C29C30O32176.5°180.0°
C28C29C34C351.6°0.1°
C29C28C27H53178.9°179.9°
C28C29C34H58178.4°180.0°
C29C30O31O32177.1°179.9°
C29C30O32C33180.0°179.9°
C30C29C34C35176.9°179.7°
C30C29C28H543.4°0.1°
C30C29C34H583.1°0.2°
C34C29C30O31169.2°180.0°
C34C29C30O328.0°0.1°
C29C34C35H58180.0°179.9°
C34C29C28H54178.9°180.0°
C29C34C35H59179.9°179.8°
O31C30O32C332.7°0.0°
C30O32C33H56180.0°60.0°
C30O32C33H5760.0°60.0°
C30O32C33H5560.0°180.0°
O32C33H56H57120.0°120.0°
O32C33H56H55120.0°120.0°
O32C33H57H55120.0°120.0°
H39C7C6H380.3°0.1°
H40C8C25H52135.1°131.3°
H37C4C3H360.3°0.2°
H41C12C13H4258.2°61.3°
H41C12C13H43178.3°178.6°
H41C12C24H51179.4°178.6°
H41C12C24H5060.4°61.2°
H42C13C14H4454.4°54.8°
H42C13C14H4565.0°65.7°
H43C13C14H44174.5°174.9°
H43C13C14H4555.1°54.5°
H48C23C24H51179.2°174.9°
H48C23C24H5059.0°54.8°
H49C23C24H5159.3°54.4°
H49C23C24H5061.0°65.7°
H53C27C28H541.1°0.1°
H56C33H57H55120.0°120.0°
H58C34C35H590.1°0.1°

225946

PDB entries from 2024-10-09

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