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37G

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13C12doub1.38Å1.38ÅAromatic
C13C14sing1.39Å1.38ÅAromatic
C13H13sing1.08Å1.08Å
C15C14doub1.39Å1.39ÅAromatic
C15C16sing1.38Å1.39ÅAromatic
C15H15sing1.08Å1.08Å
C17C14sing1.48Å1.48ÅAromatic
C17C18doub1.40Å1.41ÅAromatic
C17C25sing1.39Å1.39ÅAromatic
C20C21sing1.47Å1.38ÅAromatic
C20C24sing1.41Å1.39ÅAromatic
C20C19doub1.39Å1.40ÅAromatic
C21C22doub1.37Å1.39ÅAromatic
C21C26sing1.47Å1.48Å
C22N23sing1.35Å1.34ÅAromatic
C22H22sing1.08Å1.08Å
C24N23sing1.38Å1.34ÅAromatic
C24C25doub1.39Å1.38ÅAromatic
C26O27doub1.22Å1.27Å
C26O28sing1.35Å1.34Å
C01C02sing1.53Å1.49Å
C01H01sing1.09Å1.10Å
C01H01Asing1.09Å1.10Å
C01H01Bsing1.09Å1.10Å
C02C03sing1.53Å1.53Å
C02C04sing1.51Å1.53Å
C02H02sing1.09Å1.10Å
C03H03sing1.09Å1.10Å
C03H03Asing1.09Å1.10Å
C03H03Bsing1.09Å1.10Å
C04O05sing1.34Å1.35ÅAromatic
C04C08doub1.35Å1.40ÅAromatic
O05N06sing1.21Å1.38ÅAromatic
N06C07doub1.31Å1.35ÅAromatic
C07C08sing1.42Å1.38ÅAromatic
C07C29sing1.48Å1.48ÅAromatic
C08C09sing1.51Å1.57Å
C09O10sing1.43Å1.44Å
C09H09sing1.09Å1.10Å
C09H09Asing1.09Å1.10Å
O10C11sing1.36Å1.35Å
C11C12sing1.39Å1.38ÅAromatic
C11C16doub1.39Å1.39ÅAromatic
C12H12sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C18C19sing1.37Å1.38ÅAromatic
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
N23HN23sing0.97Å1.00Å
C25H25sing1.08Å1.08Å
C29C30doub1.39Å1.40ÅAromatic
C29C35sing1.39Å1.38ÅAromatic
C30CL31sing1.74Å1.69Å
C30C32sing1.38Å1.38ÅAromatic
C32C33doub1.38Å1.38ÅAromatic
C32H32sing1.08Å1.08Å
C33C34sing1.38Å1.40ÅAromatic
C33H33sing1.08Å1.08Å
C34C35doub1.38Å1.39ÅAromatic
C34H34sing1.08Å1.08Å
C35CL36sing1.74Å1.71Å
O28H221sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12C13C14120.0°120.0°
C12C13H13120.0°120.0°
C13C12C11120.6°120.0°
C13C12H12119.7°120.0°
C14C13H13120.0°120.0°
C13C14C15119.9°119.8°
C13C14C17117.8°120.1°
C14C15C16120.1°119.9°
C14C15H15119.9°120.0°
C15C14C17122.3°120.0°
C16C15H15120.0°120.0°
C15C16C11119.8°120.1°
C15C16H16120.1°120.0°
C14C17C18120.1°119.8°
C14C17C25119.9°119.9°
C18C17C25119.9°120.4°
C17C18C19119.8°120.3°
C17C18H18120.1°119.9°
C17C25C24120.1°119.7°
C17C25H25119.9°120.2°
C21C20C24107.3°105.8°
C21C20C19132.7°133.9°
C20C21C22106.3°106.5°
C20C21C26127.0°126.8°
C24C20C19120.0°120.3°
C20C24N23108.2°107.5°
C20C24C25120.2°119.3°
C20C19C18119.9°119.9°
C20C19H19120.1°120.0°
C22C21C26126.7°126.7°
C21C22N23108.9°109.8°
C21C22H22125.5°125.2°
C21C26O27120.1°119.9°
C21C26O28119.6°120.0°
N23C22H22125.6°125.1°
C22N23C24109.3°110.4°
C22N23HN23125.4°124.8°
N23C24C25131.6°133.1°
C24N23HN23125.3°124.8°
C24C25H25119.9°120.1°
O27C26O28120.3°120.0°
C26O28H221109.5°117.0°
C02C01H01109.5°109.5°
C02C01H01A109.5°109.5°
C02C01H01B109.4°109.5°
C01C02C03113.1°109.5°
C01C02C04113.0°109.4°
C01C02H02105.7°109.5°
H01C01H01A109.5°109.4°
H01C01H01B109.5°109.4°
H01AC01H01B109.5°109.5°
C03C02C04113.4°109.5°
C03C02H02105.3°109.5°
C02C03H03109.5°109.5°
C02C03H03A109.4°109.5°
C02C03H03B109.4°109.4°
C04C02H02105.4°109.5°
C02C04O05124.5°126.7°
C02C04C08128.0°126.7°
H03C03H03A109.5°109.5°
H03C03H03B109.5°109.5°
H03AC03H03B109.5°109.5°
O05C04C08107.5°106.7°
C04O05N06108.4°111.8°
C04C08C07107.4°104.0°
C04C08C09128.5°128.0°
O05N06C07108.8°111.4°
N06C07C08107.8°106.1°
N06C07C29126.5°127.0°
C08C07C29125.6°126.9°
C07C08C09124.0°128.0°
C07C29C30120.3°120.1°
C07C29C35119.9°120.2°
C08C09O10111.7°109.5°
C08C09H09108.7°109.5°
C08C09H09A108.7°109.5°
O10C09H09108.7°109.5°
O10C09H09A108.7°109.5°
C09O10C11124.5°117.0°
H09C09H09A110.2°109.4°
O10C11C12118.1°119.9°
O10C11C16122.2°120.0°
C12C11C16119.7°120.1°
C11C12H12119.7°120.0°
C11C16H16120.1°119.9°
C19C18H18120.1°119.8°
C18C19H19120.1°120.1°
C30C29C35119.8°119.7°
C29C30CL31119.8°120.0°
C29C30C32120.3°119.9°
C29C35C34120.0°119.9°
C29C35CL36120.3°120.0°
CL31C30C32119.9°120.1°
C30C32C33119.6°120.2°
C30C32H32120.2°119.9°
C33C32H32120.2°119.9°
C32C33C34120.4°120.3°
C32C33H33119.8°119.9°
C34C33H33119.8°119.8°
C33C34C35119.8°120.1°
C33C34H34120.1°119.9°
C35C34H34120.1°119.9°
C34C35CL36119.7°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C12C13C14H13180.0°179.7°
C12C13C14C150.9°0.0°
C12C13C14C17179.0°180.0°
C13C12C11O10179.7°179.9°
C13C12C11H12180.0°179.9°
C13C12C11C160.2°0.1°
C13C14C15C17178.1°180.0°
C13C14C15C160.9°0.0°
C13C14C15H15179.0°180.0°
C13C14C17C1823.6°0.0°
C13C14C17C25154.2°179.7°
C14C13C12C110.5°0.1°
C14C13C12H12179.5°180.0°
H13C13C14C15179.1°179.7°
H13C13C14C171.0°0.3°
H13C13C12C11179.5°179.7°
H13C13C12H120.5°0.3°
C14C15C16H15180.0°180.0°
C15C14C17C18158.3°180.0°
C15C14C17C2523.9°0.3°
C14C15C16C110.7°0.0°
C14C15C16H16179.3°180.0°
C16C15C14C17179.0°180.0°
C15C16C11O10179.7°179.9°
C15C16C11C120.3°0.0°
C15C16C11H16180.0°180.0°
H15C15C14C171.0°0.0°
H15C15C16C11179.3°180.0°
H15C15C16H160.7°0.0°
C14C17C18C25177.8°179.7°
C14C17C25C24178.6°180.0°
C14C17C18C19178.5°180.0°
C14C17C18H181.5°0.1°
C14C17C25H251.4°0.0°
C17C18C19C200.2°0.0°
C18C17C25C240.8°0.3°
C17C18C19H18180.0°179.9°
C17C18C19H19179.8°180.0°
C18C17C25H25179.2°179.7°
C17C25C24C200.5°0.1°
C17C25C24N23179.5°180.0°
C17C25C24H25180.0°180.0°
C25C17C18C190.7°0.3°
C25C17C18H18179.3°179.8°
C21C20C24C19179.6°179.8°
C20C21C22C26179.4°179.9°
C20C21C22N230.5°0.1°
C20C21C22H22179.5°180.0°
C21C20C24N230.3°0.1°
C21C20C24C25179.7°180.0°
C20C21C26O278.9°0.0°
C20C21C26O28170.5°179.9°
C21C20C19C18179.4°180.0°
C21C20C19H190.6°0.0°
C24C20C21C220.5°0.1°
C24C20C21C26179.9°180.0°
C20C24N23C220.0°0.0°
C20C24N23C25180.0°180.0°
C24C20C19C180.0°0.2°
C24C20C19H19180.0°179.8°
C20C24N23HN23179.9°180.0°
C20C24C25H25179.5°179.9°
C19C20C21C22180.0°179.7°
C19C20C21C260.6°0.2°
C19C20C24N23179.9°179.8°
C19C20C24C250.1°0.2°
C20C19C18H19180.0°180.0°
C20C19C18H18179.7°179.9°
C21C22N23H22180.0°179.9°
C21C22N23C240.3°0.0°
C22C21C26O27171.8°179.9°
C22C21C26O288.7°0.0°
C21C22N23HN23179.7°180.0°
C26C21C22N23179.9°180.0°
C26C21C22H220.1°0.1°
C21C26O27O28179.5°180.0°
C21C26O28H221179.5°180.0°
C22N23C24HN23180.0°180.0°
C22N23C24C25180.0°180.0°
H22C22N23C24179.7°179.9°
H22C22N23HN230.2°0.1°
N23C24C25H250.5°0.0°
C25C24N23HN230.1°0.0°
O27C26O28H2210.0°0.0°
C02C01H01H01A120.0°120.0°
C02C01H01H01B120.0°120.1°
C02C01H01AH01B120.0°120.1°
C01C02C03C04130.4°120.0°
C01C02C03H02114.9°120.0°
C01C02C04H02115.0°120.0°
C01C02C03H03180.0°179.9°
C01C02C03H03A60.0°60.0°
C01C02C03H03B60.0°60.0°
C01C02C04O0555.8°60.0°
C01C02C04C08124.2°119.8°
H01C01H01AH01B120.0°119.9°
H01C01C02C03180.0°60.0°
H01C01C02C0449.5°180.0°
H01C01C02H0265.3°60.0°
H01AC01C02C0360.0°180.0°
H01AC01C02C0470.6°60.0°
H01AC01C02H02174.7°60.0°
H01BC01C02C0360.0°60.0°
H01BC01C02C04169.5°60.0°
H01BC01C02H0254.7°180.0°
C03C02C04H02114.6°120.0°
C02C03H03H03A120.0°120.0°
C02C03H03H03B120.0°119.9°
C02C03H03AH03B120.0°119.9°
C03C02C04O0574.6°60.0°
C03C02C04C08105.4°120.2°
C04C02C03H0349.6°60.0°
C04C02C03H03A169.7°180.0°
C04C02C03H03B70.4°60.0°
C02C04O05C08179.9°179.8°
C02C04O05N06179.9°180.0°
C02C04C08C07179.6°179.9°
C02C04C08C090.7°0.1°
H02C02C03H0365.1°60.1°
H02C02C03H03A54.9°60.0°
H02C02C03H03B174.9°180.0°
H02C02C04O05170.8°180.0°
H02C02C04C089.3°0.2°
H03C03H03AH03B120.0°120.1°
C04O05N06C070.1°0.0°
O05C04C08C070.4°0.4°
O05C04C08C09179.3°179.7°
C08C04O05N060.2°0.3°
C04C08C07N060.5°0.3°
C04C08C07C09179.0°179.9°
C04C08C07C29179.9°179.9°
C04C08C09O10112.6°84.1°
C04C08C09H097.4°155.9°
C04C08C09H09A127.4°35.9°
O05N06C07C080.4°0.2°
O05N06C07C29179.9°180.0°
N06C07C08C29179.6°179.8°
N06C07C08C09179.5°179.7°
N06C07C29C3077.8°58.7°
N06C07C29C35102.0°121.0°
C07C08C09O1066.2°95.8°
C07C08C09H09173.8°24.1°
C07C08C09H09A53.8°144.1°
C08C07C29C30102.7°121.6°
C08C07C29C3577.5°58.7°
C29C07C08C090.9°0.0°
C07C29C30C35179.8°179.7°
C07C29C30CL310.4°0.0°
C07C29C30C32179.8°180.0°
C07C29C35C34180.0°179.7°
C07C29C35CL360.1°0.1°
C08C09O10H09120.0°120.0°
C08C09O10H09A120.0°120.1°
C08C09H09H09A119.1°120.0°
C08C09O10C11177.2°180.0°
O10C09H09H09A119.1°120.0°
C09O10C11C12158.6°180.0°
C09O10C11C1622.0°0.0°
H09C09O10C1162.8°60.0°
H09AC09O10C1157.2°59.9°
O10C11C12C16179.4°180.0°
O10C11C12H120.3°0.0°
O10C11C16H160.3°0.0°
C12C11C16H16179.7°180.0°
C16C11C12H12179.8°180.0°
H18C18C19H190.3°0.1°
C29C30CL31C32179.4°180.0°
C29C30C32C330.2°0.0°
C29C30C32H32179.8°180.0°
C30C29C35C340.2°0.6°
C30C29C35CL36179.9°179.7°
C35C29C30CL31179.8°179.7°
C35C29C30C320.3°0.3°
C29C35C34C330.0°0.7°
C29C35C34CL36179.8°179.6°
C29C35C34H34180.0°179.6°
CL31C30C32C33179.6°180.0°
CL31C30C32H320.3°0.0°
C30C32C33H32180.0°180.0°
C30C32C33C340.1°0.0°
C30C32C33H33179.9°179.9°
C32C33C34H33180.0°179.9°
C32C33C34C350.2°0.4°
C32C33C34H34179.8°179.9°
H32C32C33C34180.0°179.9°
H32C32C33H330.0°0.0°
C33C34C35H34180.0°179.7°
C33C34C35CL36179.8°179.7°
H33C33C34C35179.8°179.7°
H33C33C34H340.2°0.0°
H34C34C35CL360.2°0.0°

246704

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