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P85

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C9C8doub1.39Å1.38ÅAromatic
C9C10sing1.36Å1.42ÅAromatic
C8C7sing1.36Å1.39ÅAromatic
C10C5doub1.40Å1.41ÅAromatic
F55C26sing1.35Å1.33Å
C26C25doub1.39Å1.45ÅAromatic
C26C27sing1.38Å1.43ÅAromatic
C7C6doub1.41Å1.44ÅAromatic
C25C24sing1.38Å1.39ÅAromatic
C5C6sing1.42Å1.37ÅAromatic
C5C4sing1.41Å1.47ÅAromatic
C27C28doub1.38Å1.39ÅAromatic
C6C1sing1.41Å1.48ÅAromatic
C4C3doub1.36Å1.36ÅAromatic
C24C23doub1.38Å1.40ÅAromatic
C28C23sing1.38Å1.46ÅAromatic
C23C22sing1.51Å1.49Å
C1C11sing1.51Å1.59Å
C1C2doub1.36Å1.36ÅAromatic
C3C2sing1.39Å1.48ÅAromatic
N21C22sing1.47Å1.47Å
N21C19sing1.35Å1.41Å
C18C17sing1.53Å1.50Å
C18N13sing1.47Å1.50Å
C11N13sing1.47Å1.59Å
C11C12sing1.53Å1.48Å
C17C16sing1.53Å1.47Å
C16C19sing1.51Å1.52Å
C16C15sing1.53Å1.48Å
N13C14sing1.47Å1.49Å
C19O20doub1.21Å1.19Å
C14C15sing1.53Å1.52Å
C27H271sing1.08Å1.08Å
C28H281sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
N21H211sing0.97Å1.00Å
C16H161sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C12H123sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C2H21sing1.08Å1.08Å
C3H31sing1.08Å1.08Å
C4H41sing1.08Å1.08Å
C10H101sing1.08Å1.08Å
C9H91sing1.08Å1.08Å
C8H81sing1.08Å1.08Å
C7H71sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C8C9C10121.0°121.0°
C9C8C7119.8°121.0°
C8C9H91119.5°119.5°
C9C8H81120.1°119.5°
C9C10C5119.3°119.7°
C9C10H101120.4°120.1°
C10C9H91119.5°119.5°
C8C7C6119.5°119.7°
C7C8H81120.1°119.6°
C8C7H71120.3°120.2°
C10C5C6120.0°119.4°
C10C5C4119.3°121.3°
C5C10H101120.4°120.2°
F55C26C25120.1°120.0°
F55C26C27121.1°120.0°
C25C26C27118.8°120.0°
C26C25C24122.1°119.9°
C26C25H251118.9°120.0°
C26C27C28118.9°119.9°
C26C27H271120.5°120.0°
C7C6C5120.5°119.4°
C7C6C1120.2°121.3°
C6C7H71120.3°120.2°
C25C24C23118.7°120.1°
C24C25H251119.0°120.1°
C25C24H241120.6°119.9°
C6C5C4120.7°119.3°
C5C6C1119.3°119.4°
C5C4C3120.0°119.7°
C5C4H41120.0°120.1°
C27C28C23121.3°120.1°
C28C27H271120.5°120.1°
C27C28H281119.4°120.0°
C6C1C11121.8°120.2°
C6C1C2120.0°119.6°
C4C3C2119.4°121.0°
C4C3H31120.3°119.5°
C3C4H41120.0°120.2°
C24C23C28120.1°120.0°
C24C23C22121.2°120.0°
C23C24H241120.6°120.0°
C28C23C22118.5°120.0°
C23C28H281119.4°119.9°
C23C22N21108.1°109.5°
C23C22H221109.8°109.5°
C23C22H222109.8°109.4°
C11C1C2118.1°120.2°
C1C11N13107.6°109.5°
C1C11C12106.0°109.5°
C1C11H111106.7°109.5°
C1C2C3120.6°121.0°
C1C2H21119.7°119.5°
C3C2H21119.7°119.5°
C2C3H31120.3°119.5°
C22N21C19120.7°120.0°
N21C22H221109.8°109.5°
N21C22H222109.8°109.5°
C22N21H211119.7°120.0°
N21C19C16120.1°120.0°
N21C19O20121.0°120.0°
C19N21H211119.7°120.0°
C17C18N13114.8°109.5°
C18C17C16110.9°109.3°
C18C17H172109.1°109.5°
C18C17H171109.1°109.6°
C17C18H182108.1°109.4°
C17C18H181108.1°109.4°
C18N13C11119.0°111.0°
C18N13C14113.9°111.2°
N13C18H182108.1°109.5°
N13C18H181108.1°109.4°
N13C11C12120.9°109.5°
C11N13C14112.6°111.0°
N13C11H111106.8°109.5°
C12C11H111108.0°109.4°
C11C12H123109.5°109.4°
C11C12H122109.5°109.5°
C11C12H121109.5°109.5°
C17C16C19107.2°109.5°
C17C16C15109.0°109.2°
C17C16H161109.3°109.6°
C16C17H172109.1°109.5°
C16C17H171109.1°109.5°
C19C16C15113.7°109.5°
C16C19O20118.9°120.0°
C19C16H161108.6°109.5°
C16C15C14113.2°109.3°
C15C16H161109.1°109.6°
C16C15H151108.6°109.5°
C16C15H152108.6°109.5°
N13C14C15121.1°109.5°
N13C14H141106.5°109.5°
N13C14H142106.5°109.5°
C15C14H141106.5°109.5°
C15C14H142106.5°109.4°
C14C15H151108.5°109.5°
C14C15H152108.5°109.5°
H221C22H222109.4°109.5°
H172C17H171109.5°109.4°
H182C18H181109.5°109.5°
H141C14H142109.5°109.5°
H151C15H152109.5°109.5°
H123C12H122109.4°109.5°
H123C12H121109.4°109.4°
H122C12H121109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C8C9C10H91180.0°179.5°
C9C8C7H81180.0°179.5°
C8C9C10C50.2°0.0°
C9C8C7C61.3°1.0°
C8C9C10H101179.8°179.9°
C9C8C7H71178.8°180.0°
C10C9C8C70.6°0.5°
C9C10C5H101180.0°180.0°
C9C10C5C60.4°0.0°
C9C10C5C4178.5°179.5°
C10C9C8H81179.4°180.0°
C8C7C6H71180.0°179.0°
C8C7C6C51.1°1.0°
C8C7C6C1179.7°179.5°
C7C8C9H91179.3°180.0°
C10C5C6C70.2°0.5°
C10C5C6C4178.1°179.6°
C10C5C6C1179.5°180.0°
C10C5C4C3179.9°179.7°
C10C5C4H410.0°0.3°
C5C10C9H91179.8°179.5°
F55C26C25C27179.9°179.8°
F55C26C25C24178.7°180.0°
F55C26C27C28179.8°180.0°
F55C26C27H2710.2°0.0°
F55C26C25H2511.3°0.0°
C26C25C24H251180.0°180.0°
C25C26C27C280.2°0.2°
C26C25C24C230.4°0.1°
C25C26C27H271179.8°179.8°
C26C25C24H241179.6°179.9°
C27C26C25C241.2°0.2°
C26C27C28H271180.0°179.9°
C26C27C28C231.6°0.1°
C26C27C28H281178.4°180.0°
C27C26C25H251178.8°179.8°
C7C6C5C1179.2°179.5°
C7C6C5C4177.8°180.0°
C7C6C1C110.5°0.3°
C7C6C1C2178.4°180.0°
C6C7C8H81178.7°179.5°
C25C24C23H241180.0°180.0°
C25C24C23C281.5°0.3°
C25C24C23C22176.2°180.0°
C6C5C4C31.9°0.2°
C5C6C1C11178.7°179.8°
C5C6C1C20.8°0.5°
C6C5C4H41178.1°179.9°
C6C5C10H101179.6°179.9°
C5C6C7H71178.9°180.0°
C4C5C6C11.4°0.4°
C5C4C3H41180.0°180.0°
C5C4C3C21.6°0.0°
C5C4C3H31178.4°179.9°
C4C5C10H1011.5°0.5°
C27C28C23C242.5°0.4°
C27C28C23H281180.0°179.9°
C27C28C23C22177.4°179.9°
C6C1C11C2177.9°179.7°
C6C1C2C30.7°0.3°
C6C1C11N13104.7°153.4°
C6C1C11C12124.7°86.5°
C6C1C11H1119.7°33.4°
C6C1C2H21179.4°179.8°
C1C6C7H710.3°0.5°
C4C3C2C11.1°0.0°
C4C3C2H31180.0°180.0°
C4C3C2H21178.9°180.0°
C24C23C28C22174.9°179.7°
C24C23C22N21134.1°89.8°
C24C23C28H281177.5°179.7°
C23C24C25H251179.6°180.0°
C24C23C22H221106.1°30.3°
C24C23C22H22214.3°150.3°
C28C23C22N2140.7°89.9°
C23C28C27H271178.4°179.9°
C28C23C24H241178.5°179.7°
C28C23C22H22179.1°150.0°
C28C23C22H222160.5°30.0°
C23C22N21H221119.8°120.1°
C23C22N21H222119.8°119.9°
C23C22N21C19126.8°180.0°
C22C23C28H2812.6°0.1°
C22C23C24H2413.8°0.0°
C23C22H221H222120.6°120.0°
C23C22N21H21153.2°0.0°
C11C1C2C3178.6°180.0°
C1C11N13C1845.8°65.0°
C1C11N13C12121.8°120.0°
C1C11N13H111114.3°120.0°
C1C11C12H111114.1°119.9°
C1C11N13C14177.1°170.8°
C1C11C12H123180.0°60.0°
C1C11C12H12260.0°180.0°
C1C11C12H12160.0°59.9°
C11C1C2H211.4°0.1°
C1C2C3H21180.0°179.9°
C2C1C11N1373.2°26.9°
C2C1C11C1257.4°93.2°
C2C1C11H111172.4°146.9°
C1C2C3H31178.9°180.0°
C2C3C4H41178.3°179.9°
C22N21C19H211180.0°180.0°
C22N21C19C16178.9°180.0°
C22N21C19O202.1°0.1°
N21C22H221H222120.6°120.0°
N21C19C16C1796.6°60.4°
N21C19C16O20179.0°179.9°
N21C19C16C15142.9°180.0°
C19N21C22H2217.0°59.9°
C19N21C22H222113.3°60.1°
N21C19C16H16121.3°59.8°
C17C18N13H182120.7°120.0°
C17C18N13H181120.8°120.0°
C17C18N13C11166.5°174.1°
C18C17C16H172120.2°120.0°
C18C17C16H171120.2°120.0°
C18C17C16C19170.4°177.5°
C18C17C16C1566.2°57.7°
C17C18N13C1429.9°61.7°
C18C17C16H16152.9°62.3°
C18C17H172H171119.4°120.2°
C17C18H182H181117.6°120.0°
C18N13C11C14137.1°124.2°
C18N13C11C12167.6°174.9°
N13C18C17C1655.9°59.2°
C18N13C14C1517.3°61.7°
N13C18C17H17264.3°179.2°
N13C18C17H171176.2°60.8°
N13C18H182H181117.6°120.0°
C18N13C14H141104.3°58.3°
C18N13C14H142138.9°178.3°
C18N13C11H11168.5°55.0°
N13C11C12H111123.3°120.0°
C11N13C14C15156.6°174.1°
C11N13C18H18245.7°65.9°
C11N13C18H18172.8°54.2°
C11N13C14H14135.0°65.9°
C11N13C14H14281.8°54.1°
N13C11C12H12357.4°60.1°
N13C11C12H122177.4°60.0°
N13C11C12H12162.5°180.0°
C12C11N13C1455.3°50.7°
C11C12H123H122120.0°120.0°
C11C12H123H121120.0°120.0°
C11C12H122H121120.0°120.0°
C17C16C19C15120.4°119.6°
C17C16C19H161117.9°120.2°
C17C16C15H161119.2°120.0°
C17C16C19O2084.3°119.7°
C17C16C15C1451.6°57.7°
C16C17H172H171119.4°120.0°
C16C17C18H18264.9°60.8°
C16C17C18H181176.7°179.2°
C17C16C15H15168.9°62.3°
C17C16C15H152172.2°177.6°
C19C16C15H161121.3°120.1°
C19C16C15C14171.0°177.5°
C16C19N21H2111.1°0.1°
C19C16C17H17269.5°62.5°
C19C16C17H17150.1°57.5°
C19C16C15H15150.5°57.6°
C19C16C15H15268.4°62.5°
C16C15C14N1328.7°59.2°
C15C16C19O2036.1°0.1°
C16C15C14H151120.6°119.9°
C16C15C14H152120.6°119.9°
C15C16C17H17254.0°177.6°
C15C16C17H171173.5°62.4°
C16C15C14H14192.9°60.9°
C16C15C14H142150.3°179.2°
C16C15H151H152118.3°120.1°
N13C14C15H141121.6°120.0°
N13C14C15H142121.6°120.0°
C14N13C18H18290.8°58.3°
C14N13C18H181150.7°178.3°
N13C14H141H142114.8°120.0°
N13C14C15H15191.9°60.8°
N13C14C15H152149.3°179.1°
C14N13C11H11168.6°69.2°
O20C19N21H211177.8°180.0°
O20C19C16H161157.7°120.1°
C14C15C16H16167.6°62.3°
C15C14H141H142114.8°119.9°
C14C15H151H152118.3°120.1°
H271C27C28H2811.6°0.1°
H251C25C24H2410.4°0.0°
H221C22N21H211173.0°120.0°
H222C22N21H21166.6°120.0°
H161C16C17H172173.1°57.7°
H161C16C17H17167.3°177.7°
H161C16C15H151171.8°177.7°
H161C16C15H15252.9°57.6°
H172C17C18H182175.0°59.1°
H172C17C18H18156.5°60.9°
H171C17C18H18255.4°179.2°
H171C17C18H18163.1°59.2°
H141C14C15H151146.5°179.2°
H141C14C15H15227.6°59.1°
H142C14C15H15129.7°59.3°
H142C14C15H15289.1°60.9°
H111C11C12H12365.9°180.0°
H111C11C12H12254.1°60.0°
H111C11C12H121174.1°60.0°
H123C12H122H121119.9°120.0°
H21C2C3H311.1°0.1°
H31C3C4H411.6°0.1°
H101C10C9H910.2°0.5°
H91C9C8H810.6°0.4°
H81C8C7H711.2°0.5°

219140

PDB entries from 2024-05-01

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