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JDX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C16sing1.38Å1.38ÅAromatic
C15C14doub1.38Å1.38ÅAromatic
C16C17doub1.38Å1.38ÅAromatic
C14C13sing1.40Å1.38ÅAromatic
C17C18sing1.38Å1.38ÅAromatic
C23C24sing1.39Å1.38ÅAromatic
C23C22doub1.38Å1.38ÅAromatic
C6C7sing1.38Å1.38ÅAromatic
C6C5doub1.38Å1.38ÅAromatic
C10C9doub1.38Å1.38ÅAromatic
C10C5sing1.38Å1.38ÅAromatic
C24C25doub1.38Å1.38ÅAromatic
C7C8doub1.39Å1.38ÅAromatic
C9C8sing1.39Å1.38ÅAromatic
C13C18doub1.40Å1.38ÅAromatic
C13C2sing1.48Å1.47Å
C30C22sing1.40Å1.39ÅAromatic
C30C29doub1.40Å1.38ÅAromatic
C30C31sing1.47Å1.49Å
C5C4sing1.51Å1.49Å
C18C19sing1.51Å1.49Å
C22C21sing1.51Å1.50Å
C25C29sing1.39Å1.38ÅAromatic
C29O28sing1.36Å1.38Å
C8O11sing1.36Å1.39Å
C2N3sing1.35Å1.37Å
C2O1doub1.22Å1.22Å
C31O33doub1.22Å1.26Å
C31O32sing1.35Å1.26Å
C27O28sing1.43Å1.42Å
C12O11sing1.43Å1.42Å
C4N3sing1.47Å1.44Å
C19N20sing1.47Å1.48Å
C21N20sing1.47Å1.50Å
N20C20sing1.47Å1.49Å
C15H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C4H41Csing1.09Å1.10Å
C4H42Csing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
N3H3sing0.97Å1.00Å
O32H32sing0.97Å0.95Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C12H123sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C20H203sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C16C15C14120.2°120.1°
C15C16C17120.1°120.3°
C16C15H15119.9°119.9°
C15C16H16119.9°119.8°
C15C14C13119.2°119.9°
C14C15H15119.9°120.0°
C15C14H14120.4°120.1°
C16C17C18120.2°120.2°
C17C16H16120.0°119.9°
C16C17H17119.9°120.0°
C14C13C18121.1°119.7°
C14C13C2119.0°120.2°
C13C14H14120.4°120.1°
C17C18C13119.2°119.8°
C17C18C19120.0°120.1°
C18C17H17119.9°119.8°
C24C23C22121.3°120.3°
C23C24C25119.5°120.4°
C24C23H23119.3°119.8°
C23C24H24120.2°119.8°
C23C22C30119.5°119.9°
C23C22C21117.7°120.1°
C22C23H23119.4°119.9°
C7C6C5120.6°120.1°
C6C7C8119.2°119.9°
C7C6H6119.7°119.9°
C6C7H7120.4°120.1°
C6C5C10119.8°120.1°
C6C5C4120.5°120.0°
C5C6H6119.7°120.0°
C9C10C5120.1°120.0°
C10C9C8119.8°120.0°
C9C10H10119.9°120.0°
C10C9H9120.1°120.0°
C10C5C4119.8°119.9°
C5C10H10120.0°120.0°
C24C25C29119.3°120.1°
C25C24H24120.3°119.8°
C24C25H25120.3°119.9°
C7C8C9120.6°119.9°
C7C8O11122.3°120.1°
C8C7H7120.4°120.0°
C9C8O11117.1°120.0°
C8C9H9120.1°120.0°
C18C13C2120.0°120.1°
C13C18C19120.8°120.0°
C13C2N3113.9°120.0°
C13C2O1120.5°120.1°
C22C30C29118.5°119.6°
C22C30C31121.8°120.2°
C30C22C21122.8°120.0°
C29C30C31119.6°120.2°
C30C29C25121.8°119.7°
C30C29O28118.6°120.1°
C30C31O33119.5°120.0°
C30C31O32115.4°120.0°
C5C4N3111.8°109.5°
C5C4H41C108.9°109.5°
C5C4H42C108.9°109.5°
C18C19N20114.0°109.5°
C18C19H191108.3°109.5°
C18C19H192108.3°109.4°
C22C21N20110.9°109.5°
C22C21H211109.1°109.4°
C22C21H212109.1°109.4°
C25C29O28119.6°120.2°
C29C25H25120.3°120.0°
C29O28C27109.3°117.0°
C8O11C12109.4°117.0°
N3C2O1125.6°120.0°
C2N3C4120.1°120.0°
C2N3H3120.0°120.0°
O33C31O32125.1°120.0°
C31O32H32109.5°117.0°
O28C27H271109.5°109.5°
O28C27H272109.5°109.5°
O28C27H273109.5°109.5°
O11C12H121109.5°109.5°
O11C12H122109.4°109.5°
O11C12H123109.5°109.5°
N3C4H41C108.9°109.4°
N3C4H42C108.9°109.5°
C4N3H3119.9°120.0°
C19N20C21115.1°111.0°
C19N20C20108.1°111.0°
N20C19H191108.3°109.5°
N20C19H192108.3°109.5°
C21N20C20115.6°111.0°
N20C21H211109.1°109.5°
N20C21H212109.1°109.5°
N20C20H201109.5°109.5°
N20C20H202109.5°109.5°
N20C20H203109.5°109.4°
H41CC4H42C109.4°109.5°
H191C19H192109.5°109.5°
H211C21H212109.5°109.4°
H271C27H272109.5°109.4°
H271C27H273109.5°109.5°
H272C27H273109.5°109.5°
H121C12H122109.5°109.4°
H121C12H123109.5°109.5°
H122C12H123109.5°109.5°
H201C20H202109.4°109.5°
H201C20H203109.5°109.4°
H202C20H203109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C16C15C14H15180.0°179.7°
C15C16C17H16180.0°179.9°
C16C15C14C130.1°0.1°
C15C16C17C180.0°0.1°
C16C15C14H14179.9°180.0°
C15C16C17H17180.0°179.9°
C14C15C16C170.1°0.1°
C15C14C13H14180.0°179.9°
C15C14C13C180.0°0.0°
C15C14C13C2179.9°180.0°
C14C15C16H16179.9°180.0°
C16C17C18H17180.0°180.0°
C16C17C18C130.1°0.0°
C16C17C18C19179.9°180.0°
C17C16C15H15179.9°179.8°
C14C13C18C170.1°0.0°
C14C13C18C2179.9°180.0°
C14C13C18C19179.9°180.0°
C14C13C2N355.3°0.0°
C14C13C2O1124.7°179.9°
C13C14C15H15179.9°179.8°
C17C18C13C19179.8°179.9°
C17C18C13C2180.0°180.0°
C17C18C19N2070.5°100.0°
C18C17C16H16180.0°180.0°
C17C18C19H19150.2°20.0°
C17C18C19H192168.8°140.0°
C24C23C22H23180.0°179.8°
C23C24C25H24180.0°179.9°
C24C23C22C300.3°0.0°
C24C23C22C21179.7°180.0°
C23C24C25C290.3°0.1°
C23C24C25H25179.7°180.0°
C22C23C24C250.4°0.0°
C23C22C30C21179.4°180.0°
C23C22C30C290.0°0.0°
C23C22C30C31179.3°180.0°
C23C22C21N20107.3°104.6°
C22C23C24H24179.6°179.9°
C23C22C21H211132.5°135.3°
C23C22C21H21213.0°15.4°
C7C6C5H6180.0°179.7°
C7C6C5C100.1°0.0°
C6C7C8H7180.0°179.9°
C6C7C8C90.2°0.0°
C7C6C5C4179.8°180.0°
C6C7C8O11179.9°179.9°
C6C5C10C90.1°0.0°
C6C5C10C4179.7°180.0°
C5C6C7C80.2°0.1°
C6C5C4N358.7°90.0°
C5C6C7H7179.8°180.0°
C6C5C10H10179.8°180.0°
C6C5C4H41C61.6°150.1°
C6C5C4H42C179.1°30.0°
C9C10C5H10180.0°180.0°
C10C9C8C70.3°0.0°
C10C9C8H9180.0°179.9°
C9C10C5C4179.8°180.0°
C10C9C8O11179.9°180.0°
C5C10C9C80.2°0.0°
C10C5C4N3121.6°90.0°
C10C5C6H6179.9°179.7°
C5C10C9H9179.8°179.9°
C10C5C4H41C118.0°30.0°
C10C5C4H42C1.2°150.0°
C24C25C29C300.0°0.1°
C24C25C29H25180.0°179.9°
C24C25C29O28179.7°179.9°
C25C24C23H23179.6°179.8°
C7C8C9O11179.8°179.9°
C7C8O11C123.0°180.0°
C8C7C6H6179.8°179.7°
C7C8C9H9179.7°179.9°
C9C8O11C12176.8°0.1°
C9C8C7H7179.8°179.9°
C8C9C10H10179.8°180.0°
C18C13C2N3124.6°180.0°
C18C13C2O155.4°0.0°
C13C18C19N20109.7°80.0°
C18C13C14H14180.0°180.0°
C13C18C17H17179.9°180.0°
C13C18C19H191129.6°160.0°
C13C18C19H19211.0°40.1°
C2C13C18C190.2°0.1°
C13C2N3O1180.0°179.9°
C13C2N3C4173.7°180.0°
C2C13C14H140.1°0.1°
C13C2N3H36.3°0.0°
C22C30C29C31179.3°180.0°
C22C30C29C250.1°0.0°
C22C30C29O28179.6°179.9°
C22C30C31O3336.0°95.5°
C22C30C31O32141.7°84.5°
C30C22C21N2072.1°75.4°
C30C22C23H23179.7°179.8°
C30C22C21H21148.1°44.7°
C30C22C21H212167.6°164.6°
C29C30C22C21179.4°180.0°
C30C29C25O28179.7°180.0°
C29C30C31O33144.8°84.6°
C29C30C31O3237.6°95.5°
C30C29O28C27167.8°180.0°
C30C29C25H25179.9°180.0°
C31C30C22C211.3°0.0°
C31C30C29C25179.2°180.0°
C31C30C29O281.1°0.0°
C30C31O33O32177.4°180.0°
C30C31O32H32177.5°179.9°
C5C4N3C299.6°180.0°
C5C4N3H41C120.3°120.0°
C5C4N3H42C120.4°120.0°
C4C5C6H60.2°0.3°
C4C5C10H100.2°0.0°
C5C4H41CH42C119.0°120.0°
C5C4N3H380.4°0.0°
C18C19N20H191120.7°120.0°
C18C19N20H192120.7°120.0°
C18C19N20C2176.8°170.0°
C18C19N20C20152.2°66.0°
C19C18C17H170.1°0.0°
C18C19H191H192117.9°120.0°
C22C21N20C19169.5°175.6°
C22C21N20H211120.2°120.0°
C22C21N20H212120.2°120.0°
C22C21N20C2042.2°60.4°
C21C22C23H230.3°0.2°
C22C21H211H212119.4°119.9°
C25C29O28C2711.8°0.1°
C29C25C24H24179.7°180.0°
O28C29C25H250.3°0.0°
C29O28C27H271180.0°60.1°
C29O28C27H27260.0°180.0°
C29O28C27H27360.0°59.9°
O11C8C7H70.1°0.0°
O11C8C9H90.1°0.1°
C8O11C12H121180.0°60.0°
C8O11C12H12260.0°60.0°
C8O11C12H12360.0°180.0°
C2N3C4H3180.0°180.0°
C2N3C4H41C140.0°60.0°
C2N3C4H42C20.7°60.0°
O1C2N3C46.3°0.1°
O1C2N3H3173.7°180.0°
O33C31O32H320.0°0.0°
O28C27H271H272120.0°120.0°
O28C27H271H273120.0°120.0°
O28C27H272H273120.0°120.1°
O11C12H121H122120.0°120.0°
O11C12H121H123120.0°120.0°
O11C12H122H123120.0°120.0°
N3C4H41CH42C118.9°120.0°
C19N20C21C20127.3°124.0°
N20C19H191H192117.9°120.0°
C19N20C21H21170.3°55.6°
C19N20C21H21249.3°64.4°
C19N20C20H201180.0°63.9°
C19N20C20H20260.0°176.0°
C19N20C20H20360.0°56.0°
C21N20C19H191162.5°70.0°
C21N20C19H19243.9°50.0°
N20C21H211H212119.3°120.0°
C21N20C20H20149.3°60.1°
C21N20C20H202169.3°60.0°
C21N20C20H20370.7°180.0°
C20N20C19H19131.5°54.0°
C20N20C19H19287.1°174.0°
C20N20C21H211162.4°179.6°
C20N20C21H21278.0°59.6°
N20C20H201H202120.0°120.1°
N20C20H201H203120.0°119.9°
N20C20H202H203120.0°120.0°
H15C15C16H160.1°0.3°
H15C15C14H140.1°0.3°
H16C16C17H170.0°0.0°
H23C23C24H240.4°0.3°
H24C24C25H250.3°0.1°
H6C6C7H70.2°0.3°
H10C10C9H90.2°0.1°
H41CC4N3H340.0°120.0°
H42CC4N3H3159.3°120.0°
H271C27H272H273120.0°120.0°
H121C12H122H123120.0°120.0°
H201C20H202H203120.0°120.0°

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