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I5T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C3sing1.38Å1.38ÅAromatic
C1C4doub1.38Å1.38ÅAromatic
C2C5sing1.39Å1.39ÅAromatic
C2C6doub1.38Å1.38ÅAromatic
C3C7doub1.38Å1.38ÅAromatic
C4C8sing1.38Å1.38ÅAromatic
C5C9doub1.38Å1.38ÅAromatic
C6C10sing1.40Å1.38ÅAromatic
C7C11sing1.38Å1.38ÅAromatic
C8C11doub1.38Å1.38ÅAromatic
C9C12sing1.39Å1.38ÅAromatic
C10C12doub1.40Å1.39ÅAromatic
C10C13sing1.47Å1.48Å
C11C21sing1.51Å1.47Å
C12O28sing1.35Å1.40Å
C13C15sing1.52Å1.52Å
C13O26doub1.21Å1.23Å
C14N24sing1.35Å1.38Å
C14N25sing1.35Å1.38Å
C14O27doub1.22Å1.22Å
C15C23sing1.54Å1.53Å
C16C19sing1.53Å1.52Å
C16C23sing1.53Å1.52Å
C17C20sing1.53Å1.52Å
C17C23sing1.53Å1.54Å
C18C21sing1.53Å1.50Å
C18C22sing1.53Å1.48Å
C19N24sing1.47Å1.45Å
C20N24sing1.47Å1.45Å
C21C22sing1.53Å1.49Å
C22N25sing1.46Å1.41Å
C23O28sing1.43Å1.46Å
C1H1sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C21H21sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
N25H25sing0.97Å1.00Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C1C4119.7°120.0°
C1C3C7118.2°120.0°
C3C1H1120.1°120.0°
C1C3H3120.9°120.0°
C1C4C8120.8°120.0°
C4C1H1120.1°120.0°
C1C4H4119.6°120.0°
C5C2C6119.9°120.3°
C2C5C9121.1°120.7°
C5C2H2120.1°119.9°
C2C5H5119.5°119.6°
C2C6C10118.6°119.5°
C6C2H2120.1°119.9°
C2C6H6120.7°120.3°
C3C7C11123.5°120.0°
C7C3H3120.9°120.0°
C3C7H7118.2°120.0°
C4C8C11120.8°120.0°
C8C4H4119.6°120.0°
C4C8H8119.6°119.9°
C5C9C12119.5°120.1°
C9C5H5119.4°119.6°
C5C9H9120.2°120.0°
C6C10C12121.8°120.3°
C6C10C13118.3°120.7°
C10C6H6120.7°120.2°
C7C11C8117.0°120.0°
C7C11C21122.5°120.0°
C11C7H7118.2°120.0°
C8C11C21120.6°120.0°
C11C8H8119.6°120.0°
C9C12C10119.1°119.1°
C9C12O28116.5°120.1°
C12C9H9120.3°119.9°
C12C10C13119.9°119.0°
C10C12O28124.4°120.8°
C10C13C15115.9°116.5°
C10C13O26119.9°121.8°
C11C21C18122.9°117.5°
C11C21C22118.3°117.5°
C11C21H21115.2°115.5°
C12O28C23116.3°118.7°
C15C13O26124.2°121.7°
C13C15C23113.2°107.1°
C13C15H151108.5°109.9°
C13C15H152108.5°110.0°
N24C14N25118.3°120.0°
N24C14O27122.1°120.0°
C14N24C19123.7°120.6°
C14N24C20118.5°120.7°
N25C14O27119.6°120.0°
C14N25C22114.7°120.0°
C14N25H25122.6°120.0°
C15C23C16105.0°109.2°
C15C23C17111.7°109.2°
C15C23O28113.4°109.4°
C23C15H151108.5°109.9°
C23C15H152108.5°109.9°
C19C16C23111.9°109.4°
C16C19N24113.2°108.7°
C19C16H161108.9°109.5°
C19C16H162108.9°109.5°
C16C19H191108.5°109.5°
C16C19H192108.5°109.6°
C16C23C17110.5°109.7°
C16C23O28105.3°109.6°
C23C16H161108.8°109.5°
C23C16H162108.9°109.6°
C20C17C23110.7°109.3°
C17C20N24112.9°108.8°
C20C17H171109.2°109.5°
C20C17H172109.2°109.5°
C17C20H201108.6°109.5°
C17C20H202108.6°109.6°
C17C23O28110.5°109.7°
C23C17H171109.2°109.5°
C23C17H172109.2°109.5°
C21C18C2260.1°60.0°
C18C21C2259.5°60.0°
C18C21H21114.6°117.5°
C21C18H181120.0°117.5°
C21C18H182120.0°117.5°
C18C22C2160.4°60.0°
C18C22N25126.0°117.5°
C22C18H181120.0°117.5°
C22C18H182120.0°117.5°
C18C22H22111.8°117.5°
C19N24C20117.8°118.7°
N24C19H191108.5°109.6°
N24C19H192108.5°109.6°
N24C20H201108.6°109.6°
N24C20H202108.6°109.6°
C21C22N25123.9°117.5°
C22C21H21114.7°117.5°
C21C22H22111.7°117.5°
C22N25H25122.7°120.0°
N25C22H22113.0°115.6°
H151C15H152109.5°110.0°
H161C16H162109.5°109.5°
H191C19H192109.5°109.7°
H171C17H172109.5°109.6°
H201C20H202109.5°109.7°
H181C18H182109.5°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C1C4H1180.0°179.8°
C1C3C7H3180.0°180.0°
C3C1C4C80.4°0.1°
C1C3C7C110.2°0.0°
C3C1C4H4179.6°180.0°
C1C3C7H7179.8°180.0°
C4C1C3C70.1°0.1°
C1C4C8H4180.0°179.9°
C1C4C8C110.5°0.0°
C4C1C3H3179.9°179.9°
C1C4C8H8179.5°179.9°
C5C2C6H2180.0°179.7°
C2C5C9H5180.0°179.9°
C5C2C6C100.4°0.0°
C2C5C9C121.2°0.0°
C5C2C6H6179.6°180.0°
C2C5C9H9178.8°179.9°
C6C2C5C90.5°0.1°
C2C6C10H6180.0°180.0°
C2C6C10C120.7°0.2°
C2C6C10C13178.5°179.5°
C6C2C5H5179.5°180.0°
C3C7C11H7180.0°180.0°
C3C7C11C80.2°0.1°
C3C7C11C21179.4°179.9°
C7C3C1H1179.9°179.8°
C4C8C11C70.2°0.1°
C4C8C11H8180.0°179.9°
C4C8C11C21179.8°179.9°
C8C4C1H1179.5°179.8°
C5C9C12H9180.0°179.9°
C5C9C12C100.9°0.2°
C5C9C12O28179.0°179.6°
C9C5C2H2179.4°179.8°
C6C10C12C90.1°0.3°
C6C10C12C13179.2°179.7°
C6C10C12O28179.9°179.5°
C6C10C13C15172.2°168.2°
C6C10C13O266.8°11.7°
C10C6C2H2179.6°179.7°
C7C11C8C21179.6°179.8°
C7C11C21C1856.7°171.4°
C7C11C21C2213.6°119.9°
C11C7C3H3179.8°180.0°
C7C11C8H8179.8°180.0°
C7C11C21H21154.7°25.7°
C8C11C21C18123.7°8.8°
C8C11C21C22166.0°59.9°
C11C8C4H4179.5°179.9°
C8C11C7H7179.8°179.9°
C8C11C21H2124.8°154.4°
C9C12C10O28179.9°179.8°
C9C12C10C13179.2°179.4°
C9C12O28C23163.2°157.5°
C12C9C5H5178.8°179.9°
C12C10C13C157.0°12.1°
C12C10C13O26174.0°168.0°
C10C12O28C2317.0°22.7°
C12C10C6H6179.3°179.8°
C10C12C9H9179.1°179.9°
C13C10C12O280.7°0.8°
C10C13C15O26179.0°179.9°
C10C13C15C2330.6°40.1°
C13C10C6H61.5°0.5°
C10C13C15H15190.0°159.4°
C10C13C15H152151.1°79.4°
C11C21C18C22106.0°107.5°
C11C21C18H21148.7°145.0°
C11C21C22H21141.3°145.0°
C11C21C22N25130.9°145.0°
C21C11C7H70.6°0.0°
C21C11C8H80.2°0.2°
C11C21C18H181144.6°145.0°
C11C21C18H1823.6°0.0°
C11C21C22H2210.0°0.0°
C12O28C23C1540.7°52.8°
C12O28C23C16155.0°66.9°
C12O28C23C1785.6°172.6°
O28C12C9H91.0°0.3°
C13C15C23H151120.6°119.3°
C13C15C23H152120.5°119.4°
C13C15C23C16162.0°61.1°
C13C15C23C1778.2°178.9°
C13C15C23O2847.5°58.8°
C13C15H151H152118.3°121.2°
O26C13C15C23150.5°140.0°
O26C13C15H15189.0°20.6°
O26C13C15H15229.9°100.6°
N24C14N25O27177.9°179.9°
C14N24C19C16132.9°126.4°
C14N24C20C17131.6°126.3°
C14N24C19C20179.0°179.9°
N24C14N25C22141.6°174.9°
N24C14N25H2538.3°5.2°
C14N24C19H191106.6°113.9°
C14N24C19H19212.3°6.6°
C14N24C20H20111.1°6.6°
C14N24C20H202107.9°113.8°
C14N25C22C18152.2°136.5°
N25C14N24C1916.5°174.9°
N25C14N24C20164.5°5.1°
C14N25C22C21132.1°155.0°
C14N25C22H25180.0°180.0°
C14N25C22H228.3°9.3°
O27C14N24C19161.4°5.0°
O27C14N24C2017.6°175.0°
O27C14N25C2240.4°5.0°
O27C14N25H25139.6°174.9°
C15C23C16C19174.8°179.1°
C15C23C16C17120.6°119.7°
C15C23C16O28120.0°119.8°
C15C23C17C20171.5°179.2°
C15C23C17O28127.3°119.9°
C23C15H151H152118.3°121.2°
C15C23C16H16154.4°61.0°
C15C23C16H16264.8°59.1°
C15C23C17H17168.3°59.2°
C15C23C17H17251.3°60.9°
C19C16C23H161120.4°119.9°
C19C16C23H162120.4°120.0°
C19C16C23C1754.1°61.2°
C16C19N24H191120.6°119.7°
C16C19N24H192120.6°119.8°
C16C19N24C2046.1°53.7°
C19C16C23O2865.3°59.3°
C19C16H161H162118.9°120.0°
C16C19H191H192118.3°120.4°
C16C23C17C2055.0°61.2°
C16C23C17O28116.2°120.4°
C23C16C19N2448.7°54.5°
C16C23C15H15141.4°58.2°
C16C23C15H15277.5°179.4°
C23C16H161H162118.9°120.1°
C23C16C19H19171.8°65.2°
C23C16C19H192169.3°174.3°
C16C23C17H171175.1°178.9°
C16C23C17H17265.2°58.8°
C20C17C23H171120.2°119.9°
C20C17C23H172120.2°119.9°
C17C20N24C1947.5°53.7°
C17C20N24H201120.5°119.7°
C17C20N24H202120.5°119.9°
C20C17C23O2861.3°59.3°
C20C17H171H172119.5°120.1°
C17C20H201H202118.4°120.3°
C23C17C20N2450.9°54.5°
C17C23C15H151161.3°61.8°
C17C23C15H15242.4°59.5°
C17C23C16H16166.2°58.7°
C17C23C16H162174.5°178.8°
C23C17H171H172119.5°120.1°
C23C17C20H201171.4°174.3°
C23C17C20H20269.6°65.3°
C21C18C22H181109.5°107.5°
C21C18C22H182109.5°107.5°
C18C21C22H21105.2°107.5°
C21C18C22N25112.4°107.5°
C21C18H181H182144.6°145.7°
C21C18C22H22103.3°107.4°
C18C22N25H22144.0°145.7°
C18C22N25H2527.7°43.6°
C22C18H181H182144.7°145.7°
N24C19C16H16171.6°65.4°
N24C19C16H162169.1°174.6°
N24C19H191H192118.3°120.4°
C19N24C20H201168.0°173.4°
C19N24C20H20273.0°66.1°
C20N24C19H19174.4°66.0°
C20N24C19H192166.7°173.5°
N24C20C17H171171.1°174.5°
N24C20C17H17269.3°65.4°
N24C20H201H202118.4°120.4°
C21C22N25H22140.4°145.7°
C21C22N25H2547.9°25.0°
N25C22C21H2110.5°0.0°
N25C22C18H1812.9°0.1°
N25C22C18H182138.2°145.0°
O28C23C15H15173.0°178.2°
O28C23C15H152168.1°60.6°
O28C23C16H161174.4°179.2°
O28C23C16H16255.1°60.7°
O28C23C17H17158.9°60.6°
O28C23C17H172178.6°179.2°
H1C1C3H30.1°0.3°
H1C1C4H40.5°0.1°
H3C3C7H70.2°0.0°
H4C4C8H80.5°0.0°
H2C2C5H50.5°0.3°
H2C2C6H60.4°0.3°
H5C5C9H91.2°0.0°
H21C21C18H1814.2°0.0°
H21C21C18H182145.2°145.0°
H21C21C22H22151.3°145.0°
H25N25C22H22171.7°170.7°
H161C16C19H191167.8°174.9°
H161C16C19H19248.9°54.4°
H162C16C19H19148.5°54.9°
H162C16C19H19270.4°65.6°
H171C17C20H20168.4°65.8°
H171C17C20H20250.6°54.6°
H172C17C20H20151.2°54.4°
H172C17C20H202170.2°174.8°
H181C18C22H22147.2°145.0°
H182C18C22H226.2°0.0°

225946

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