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849

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.37Å1.44ÅAromatic
C1C5doub1.40Å1.43ÅAromatic
C2C3doub1.39Å1.43ÅAromatic
C2C11sing1.51Å1.56Å
C3C4sing1.38Å1.40ÅAromatic
C4C6doub1.39Å1.41ÅAromatic
C5C6sing1.41Å1.42ÅAromatic
C5C9sing1.46Å1.40ÅAromatic
C6N7sing1.38Å1.36ÅAromatic
N7C8sing1.38Å1.44ÅAromatic
C8C9doub1.36Å1.44ÅAromatic
C8C10sing1.48Å1.43ÅAromatic
C9F28sing1.35Å1.37Å
C10C21sing1.40Å1.46ÅAromatic
C10C25doub1.39Å1.44ÅAromatic
C11C12sing1.53Å1.59Å
C11C16sing1.53Å1.59Å
C12C13sing1.53Å1.55Å
C13N14sing1.47Å1.54Å
N14C15sing1.47Å1.52Å
N14C17sing1.47Å1.54Å
C15C16sing1.53Å1.55Å
C17C18sing1.53Å1.56Å
C18N19sing1.47Å1.49Å
N19C20sing1.47Å1.49Å
C21C22doub1.39Å1.44ÅAromatic
C21O26sing1.36Å1.43Å
C22C23sing1.38Å1.41ÅAromatic
C23C24doub1.38Å1.41ÅAromatic
C24C25sing1.38Å1.42ÅAromatic
O26C27sing1.43Å1.46Å
C1H1sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C11H11sing1.09Å1.10Å
C4H4sing1.08Å1.08Å
N7H7sing0.97Å1.00Å
C25H25sing1.08Å1.08Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
N19H19sing1.01Å1.00Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C20H203sing1.09Å1.10Å
C22H22sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C5118.3°119.8°
C1C2C3119.8°120.5°
C1C2C11120.7°119.8°
C2C1H1120.8°120.1°
C1C5C6119.8°119.9°
C1C5C9132.9°133.8°
C5C1H1120.9°120.1°
C3C2C11119.5°119.7°
C2C3C4121.8°120.7°
C2C3H3119.1°119.6°
C2C11C12117.2°109.5°
C2C11C16111.3°109.5°
C2C11H11102.6°109.5°
C3C4C6118.6°119.9°
C4C3H3119.1°119.7°
C3C4H4120.7°120.1°
C4C6C5121.7°119.3°
C4C6N7127.7°133.3°
C6C4H4120.7°120.0°
C6C5C9107.3°106.4°
C5C6N7110.6°107.4°
C5C9C8107.4°106.9°
C5C9F28125.2°126.5°
C6N7C8107.0°109.8°
C6N7H7126.5°125.1°
N7C8C9107.7°109.5°
N7C8C10123.0°125.2°
C8N7H7126.5°125.1°
C9C8C10129.3°125.3°
C8C9F28127.5°126.5°
C8C10C21122.1°120.1°
C8C10C25120.1°120.2°
C21C10C25117.7°119.6°
C10C21C22119.3°119.7°
C10C21O26119.3°120.1°
C10C25C24121.1°119.9°
C10C25H25119.4°120.0°
C12C11C16110.0°109.2°
C11C12C13117.0°109.3°
C12C11H11104.2°109.6°
C11C12H121107.0°109.6°
C11C12H122105.3°109.5°
C11C16C15115.8°109.3°
C16C11H11111.0°109.6°
C11C16H161107.4°109.5°
C11C16H162105.9°109.5°
C12C13N14112.8°109.5°
C13C12H121107.0°109.5°
C13C12H122105.3°109.5°
C12C13H131108.4°109.5°
C12C13H132107.6°109.5°
C13N14C15113.4°111.2°
C13N14C17111.4°111.0°
N14C13H131108.4°109.5°
N14C13H132107.6°109.4°
C15N14C17111.5°111.0°
N14C15C16110.7°109.5°
N14C15H151109.1°109.5°
N14C15H152108.8°109.4°
N14C17C18112.8°109.5°
N14C17H171108.4°109.4°
N14C17H172107.6°109.5°
C15C16H161107.4°109.5°
C15C16H162106.0°109.5°
C16C15H151109.1°109.4°
C16C15H152108.8°109.4°
C17C18N19112.7°109.5°
C18C17H171108.4°109.4°
C18C17H172107.6°109.5°
C17C18H181108.4°109.4°
C17C18H182107.7°109.5°
C18N19C20114.5°111.0°
N19C18H181108.4°109.5°
N19C18H182107.7°109.5°
C18N19H19107.8°111.0°
C20N19H19107.8°111.0°
N19C20H201109.5°109.5°
N19C20H202109.5°109.5°
N19C20H203109.4°109.5°
C22C21O26121.4°120.1°
C21C22C23121.0°120.1°
C21C22H22119.5°119.9°
C21O26C27127.2°117.0°
C22C23C24120.1°120.4°
C23C22H22119.5°120.0°
C22C23H23119.9°119.8°
C23C24C25120.7°120.2°
C24C23H23119.9°119.8°
C23C24H24119.6°119.9°
C24C25H25119.4°120.0°
C25C24H24119.7°119.9°
O26C27H271109.5°109.5°
O26C27H272109.5°109.5°
O26C27H273109.5°109.4°
H121C12H122115.6°109.6°
H161C16H162114.5°109.5°
H131C13H132112.1°109.5°
H151C15H152110.4°109.5°
H171C17H172112.1°109.5°
H181C18H182112.0°109.4°
H201C20H202109.5°109.5°
H201C20H203109.5°109.4°
H202C20H203109.5°109.4°
H271C27H272109.5°109.5°
H271C27H273109.4°109.4°
H272C27H273109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C5H1180.0°179.7°
C1C2C3C11179.9°179.9°
C1C2C3C40.2°0.1°
C2C1C5C60.2°0.0°
C2C1C5C9179.6°180.0°
C1C2C11C1212.3°120.0°
C1C2C11C16115.5°120.3°
C1C2C3H3179.7°180.0°
C1C2C11H11125.7°0.1°
C5C1C2C30.1°0.0°
C5C1C2C11179.8°180.0°
C1C5C6C40.3°0.0°
C1C5C6C9179.8°180.0°
C1C5C6N7179.7°180.0°
C1C5C9C8179.7°179.9°
C1C5C9F280.3°0.0°
C2C3C4H3180.0°179.9°
C2C3C4C60.1°0.1°
C3C2C11C12167.8°59.9°
C3C2C11C1664.4°59.7°
C3C2C1H1179.8°179.8°
C3C2C11H1154.4°179.9°
C2C3C4H4179.9°180.0°
C11C2C3C4179.7°180.0°
C2C11C12C16128.4°119.9°
C2C11C12H11112.5°120.1°
C2C11C16H11113.7°120.1°
C2C11C12C1388.3°177.6°
C2C11C16C1586.6°177.6°
C11C2C1H10.2°0.3°
C11C2C3H30.4°0.0°
C2C11C12H12131.7°57.7°
C2C11C12H122155.3°62.5°
C2C11C16H161153.4°62.5°
C2C11C16H16230.5°57.6°
C3C4C6H4180.0°179.9°
C3C4C6C50.2°0.0°
C3C4C6N7179.8°180.0°
C4C6C5N7180.0°180.0°
C4C6C5C9179.5°180.0°
C4C6N7C8179.1°179.9°
C6C4C3H3179.9°180.0°
C4C6N7H71.0°0.0°
C5C6N7C80.9°0.1°
C6C5C9C80.1°0.1°
C6C5C9F28179.9°180.0°
C6C5C1H1179.9°179.7°
C5C6C4H4179.8°180.0°
C5C6N7H7179.0°180.0°
C9C5C6N70.5°0.0°
C5C9C8N70.7°0.1°
C5C9C8F28180.0°179.9°
C5C9C8C10179.3°180.0°
C9C5C1H10.4°0.3°
C6N7C8H7180.0°179.9°
C6N7C8C91.0°0.1°
C6N7C8C10179.0°180.0°
N7C6C4H40.2°0.0°
N7C8C9C10179.9°179.9°
N7C8C9F28179.4°180.0°
N7C8C10C2153.4°115.0°
N7C8C10C25125.9°64.8°
C9C8C10C21126.7°64.9°
C9C8C10C2554.0°115.3°
C9C8N7H7179.0°180.0°
C10C8C9F280.7°0.1°
C8C10C21C25179.3°179.8°
C8C10C21C22179.5°180.0°
C8C10C21O260.6°0.0°
C8C10C25C24179.5°179.7°
C10C8N7H71.1°0.1°
C8C10C25H250.5°0.0°
C10C21C22O26179.8°179.9°
C10C21C22C230.1°0.1°
C21C10C25C240.2°0.5°
C10C21O26C27166.1°180.0°
C21C10C25H25179.8°179.8°
C10C21C22H22179.9°180.0°
C25C10C21C220.2°0.2°
C25C10C21O26179.9°179.8°
C10C25C24C230.0°0.5°
C10C25C24H25180.0°179.8°
C10C25C24H24180.0°179.7°
C12C11C16H11114.8°120.0°
C11C12C13H121120.0°120.0°
C11C12C13H122116.5°119.9°
C11C12C13N1444.5°59.2°
C12C11C16C1545.0°57.7°
C11C12H121H122116.9°120.2°
C12C11C16H16175.1°177.6°
C12C11C16H162162.1°62.3°
C11C12C13H13175.5°179.2°
C11C12C13H132163.0°60.8°
C16C11C12C1340.1°57.7°
C11C16C15N1454.0°59.2°
C11C16C15H161120.0°119.9°
C11C16C15H162117.1°120.0°
C16C11C12H121160.1°62.2°
C16C11C12H12276.4°177.6°
C11C16H161H162117.4°120.1°
C11C16C15H15166.0°179.2°
C11C16C15H152173.5°60.8°
C12C13N14H131120.0°120.0°
C12C13N14H132118.6°120.0°
C12C13N14C1552.0°61.8°
C12C13N14C17178.8°62.4°
C13C12C11H11159.2°62.3°
C13C12H121H122116.9°120.0°
C12C13H131H132118.6°120.0°
C13N14C15C17126.7°124.1°
C13N14C15C1656.3°61.7°
C13N14C17C1851.8°170.0°
N14C13C12H121164.4°60.8°
N14C13C12H12272.0°179.1°
N14C13H131H132118.6°120.0°
C13N14C15H15163.7°178.3°
C13N14C15H152175.8°58.2°
C13N14C17H17168.2°70.1°
C13N14C17H172170.3°50.0°
N14C15C16H151120.0°120.0°
N14C15C16H152119.5°120.0°
C15N14C17C1876.1°65.7°
N14C15C16H16166.0°179.1°
N14C15C16H162171.1°60.8°
C15N14C13H13168.0°178.2°
C15N14C13H132170.6°58.3°
N14C15H151H152119.5°120.0°
C15N14C17H171163.9°54.2°
C15N14C17H17242.5°174.2°
C17N14C15C16176.9°62.4°
N14C17C18H171120.0°119.9°
N14C17C18H172118.5°120.1°
N14C17C18N19167.3°180.0°
C17N14C13H13158.8°57.6°
C17N14C13H13262.7°177.6°
C17N14C15H15163.1°57.6°
C17N14C15H15257.4°177.6°
N14C17H171H172118.6°120.1°
N14C17C18H18147.3°60.0°
N14C17C18H18274.1°59.9°
C15C16C11H11159.7°62.3°
C15C16H161H162117.4°120.1°
C16C15H151H152119.5°120.0°
C17C18N19H181120.0°120.0°
C17C18N19H182118.6°120.0°
C17C18N19C20148.3°180.0°
C18C17H171H172118.6°120.0°
C17C18H181H182118.7°120.0°
C17C18N19H1991.7°56.1°
C18N19C20H19120.0°123.9°
N19C18C17H17172.7°60.1°
N19C18C17H17248.7°59.9°
N19C18H181H182118.7°120.1°
C18N19C20H201125.7°60.0°
C18N19C20H202114.3°60.0°
C18N19C20H2035.6°180.0°
C20N19C18H18128.3°60.0°
C20N19C18H18293.0°60.0°
N19C20H201H202120.0°120.1°
N19C20H201H203120.0°120.0°
N19C20H202H203120.0°120.0°
C21C22C23H22180.0°179.9°
C21C22C23C240.1°0.1°
C22C21O26C2714.1°0.0°
C21C22C23H23179.9°179.9°
O26C21C22C23180.0°180.0°
O26C21C22H220.0°0.1°
C21O26C27H271152.8°60.0°
C21O26C27H27287.2°60.0°
C21O26C27H27332.9°180.0°
C22C23C24H23180.0°180.0°
C22C23C24C250.1°0.2°
C22C23C24H24179.9°180.0°
C23C24C25H24180.0°179.8°
C23C24C25H25180.0°179.7°
C24C23C22H22179.9°180.0°
C25C24C23H23179.9°179.8°
O26C27H271H272120.0°120.0°
O26C27H271H273120.0°120.0°
O26C27H272H273120.0°120.0°
H3C3C4H40.1°0.1°
H11C11C12H12180.8°177.8°
H11C11C12H12242.7°57.6°
H11C11C16H16139.7°57.6°
H11C11C16H16283.1°177.7°
H25C25C24H240.0°0.1°
H121C12C13H13144.4°59.2°
H121C12C13H13277.0°179.2°
H122C12C13H131168.0°60.9°
H122C12C13H13246.5°59.1°
H161C16C15H151173.9°60.9°
H161C16C15H15253.5°59.1°
H162C16C15H15151.1°59.2°
H162C16C15H15269.4°179.2°
H171C17C18H181167.3°179.9°
H171C17C18H18245.9°60.0°
H172C17C18H18171.3°60.1°
H172C17C18H182167.3°180.0°
H181C18N19H19148.4°176.0°
H182C18N19H1927.0°63.9°
H19N19C20H2015.6°176.0°
H19N19C20H202125.6°63.9°
H19N19C20H203114.4°56.1°
H201C20H202H203120.0°119.9°
H22C22C23H230.1°0.0°
H23C23C24H240.1°0.0°
H271C27H272H273120.0°120.0°

224931

PDB entries from 2024-09-11

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