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J67

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N2O1sing1.42Å1.41Å
O1HO1sing0.97Å0.95Å
C3N2doub1.30Å1.29Å
C4C3sing1.49Å1.48Å
C32C3sing1.48Å1.47Å
N6C4sing1.34Å1.34Å
O5C4doub1.22Å1.21Å
C7N6sing1.46Å1.46Å
N6C19sing1.39Å1.40Å
C7C8sing1.51Å1.50Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C18C8doub1.39Å1.39ÅAromatic
C8C9sing1.38Å1.39ÅAromatic
C9C10doub1.38Å1.39ÅAromatic
C9H9sing1.08Å1.08Å
C12C10sing1.38Å1.40ÅAromatic
C10F11sing1.35Å1.35Å
C13C12doub1.38Å1.39ÅAromatic
C12H12sing1.08Å1.08Å
C18C13sing1.39Å1.39ÅAromatic
C14C13sing1.51Å1.51Å
O15C14sing1.43Å1.44Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C16O15sing1.43Å1.44Å
C16O17sing1.43Å1.44Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
O17C18sing1.36Å1.37Å
C20C19doub1.39Å1.40ÅAromatic
C19C32sing1.40Å1.41ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C20H20sing1.08Å1.08Å
C21C22doub1.38Å1.39ÅAromatic
C21H21sing1.08Å1.08Å
C22C23sing1.40Å1.41ÅAromatic
C22H22sing1.08Å1.08Å
C32C23doub1.40Å1.41ÅAromatic
C23C24sing1.47Å1.48Å
C24C25doub1.34Å1.34Å
C24H24sing1.08Å1.08Å
C25C26sing1.47Å1.48Å
C25H25sing1.08Å1.08Å
C31C26doub1.40Å1.41ÅAromatic
C26C27sing1.40Å1.41ÅAromatic
C27C28doub1.38Å1.39ÅAromatic
C27H27sing1.08Å1.08Å
C29C28sing1.38Å1.39ÅAromatic
C28H28sing1.08Å1.08Å
C30C29doub1.38Å1.40ÅAromatic
C29H29sing1.08Å1.08Å
C31C30sing1.38Å1.39ÅAromatic
C30H30sing1.08Å1.08Å
C31H31sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2O1HO1109.5°114.0°
O1N2C3117.8°120.0°
N2C3C4126.6°127.6°
N2C3C32128.1°127.5°
C4C3C32105.4°104.9°
C3C4N6108.0°107.7°
C3C4O5125.6°126.1°
C3C32C19106.2°106.5°
C3C32C23132.8°133.2°
N6C4O5126.4°126.1°
C4N6C7123.3°124.3°
C4N6C19111.1°111.4°
C7N6C19125.5°124.3°
N6C7C8113.8°109.5°
N6C7H7108.0°109.5°
N6C7H7A107.0°109.5°
N6C19C20131.9°131.4°
N6C19C32109.3°109.4°
C8C7H7108.1°109.4°
C8C7H7A107.1°109.5°
C7C8C18118.2°120.0°
C7C8C9121.5°120.0°
H7C7H7A112.9°109.5°
C18C8C9120.4°120.0°
C8C18C13119.8°119.9°
C8C18O17118.9°119.5°
C8C9C10119.9°120.0°
C8C9H9120.0°120.0°
C10C9H9120.0°120.0°
C9C10C12119.9°120.0°
C9C10F11119.7°120.0°
C12C10F11120.3°120.0°
C10C12C13119.8°120.0°
C10C12H12120.1°120.0°
C13C12H12120.1°120.0°
C12C13C18120.1°120.0°
C12C13C14121.6°119.6°
C18C13C14118.3°120.4°
C13C18O17121.3°120.5°
C13C14O15108.1°109.3°
C13C14H14109.9°109.5°
C13C14H14A110.2°109.5°
O15C14H14109.9°109.5°
O15C14H14A110.2°109.5°
C14O15C16114.3°113.1°
H14C14H14A108.5°109.5°
O15C16O17110.8°108.6°
O15C16H16109.0°109.6°
O15C16H16A108.7°109.6°
O17C16H16109.0°109.6°
O17C16H16A108.7°109.6°
C16O17C18120.9°116.9°
H16C16H16A110.5°109.8°
C20C19C32118.8°119.1°
C19C20C21120.6°120.5°
C19C20H20119.7°119.7°
C19C32C23121.0°120.3°
C21C20H20119.7°119.8°
C20C21C22120.8°120.8°
C20C21H21119.6°119.6°
C22C21H21119.6°119.6°
C21C22C23120.3°119.8°
C21C22H22119.9°120.1°
C23C22H22119.9°120.1°
C22C23C32118.5°119.4°
C22C23C24121.7°120.3°
C32C23C24119.8°120.3°
C23C24C25121.2°120.0°
C23C24H24119.4°120.0°
C25C24H24119.4°120.0°
C24C25C26122.8°120.0°
C24C25H25118.6°120.0°
C26C25H25118.6°120.0°
C25C26C31118.7°120.1°
C25C26C27121.7°120.2°
C31C26C27119.6°119.7°
C26C31C30119.9°119.8°
C26C31H31120.0°120.1°
C26C27C28119.8°119.8°
C26C27H27120.1°120.1°
C28C27H27120.1°120.1°
C27C28C29120.1°120.2°
C27C28H28120.0°119.9°
C29C28H28120.0°119.9°
C28C29C30120.8°120.3°
C28C29H29119.6°119.9°
C30C29H29119.6°119.8°
C29C30C31119.9°120.2°
C29C30H30120.1°119.9°
C31C30H30120.1°119.9°
C30C31H31120.1°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1N2C3C40.4°0.0°
O1N2C3C32179.4°179.7°
HO1O1N2C349.7°179.9°
N2C3C4C32179.9°179.8°
N2C3C4N6177.4°180.0°
N2C3C4O52.1°0.0°
N2C3C32C19177.7°179.8°
N2C3C32C231.7°0.7°
C3C4N6O5179.4°180.0°
C3C4N6C7177.9°180.0°
C3C4N6C192.0°0.0°
C4C3C32C192.4°0.4°
C4C3C32C23178.2°179.5°
C32C3C4N62.7°0.2°
C32C3C4O5177.8°179.7°
C3C32C19N61.3°0.4°
C3C32C19C20179.5°179.8°
C3C32C19C23179.5°179.2°
C3C32C23C22179.9°179.5°
C3C32C23C240.9°0.7°
C4N6C7C19175.3°180.0°
C4N6C7C887.4°90.0°
C4N6C7H732.7°150.1°
C4N6C7H7A154.6°30.0°
C4N6C19C20177.4°180.0°
C4N6C19C320.5°0.3°
O5C4N6C72.6°0.0°
O5C4N6C19178.5°180.0°
N6C7C8H7120.0°120.0°
N6C7C8H7A118.1°120.0°
N6C7H7H7A118.2°120.0°
N6C7C8C18116.7°79.7°
N6C7C8C964.3°100.0°
C7N6C19C201.6°0.1°
C7N6C19C32176.3°179.7°
C19N6C7C897.4°90.0°
C19N6C7H7142.6°30.0°
C19N6C7H7A20.7°150.0°
N6C19C20C32177.7°179.7°
N6C19C20C21178.3°180.0°
N6C19C20H201.7°0.0°
N6C19C32C23179.2°179.6°
C8C7H7H7A118.2°120.0°
C7C8C18C9179.1°179.7°
C7C8C9C10179.7°180.0°
C7C8C9H90.3°0.1°
C7C8C18C13180.0°179.7°
C7C8C18O170.7°0.4°
H7C7C8C18123.3°40.3°
H7C7C8C955.7°140.0°
H7AC7C8C181.4°160.3°
H7AC7C8C9177.6°20.0°
C18C8C9C100.7°0.3°
C18C8C9H9179.3°179.7°
C8C18C13C120.8°0.6°
C8C18C13O17179.3°179.3°
C8C18C13C14179.8°179.5°
C8C18O17C16175.4°163.2°
C8C9C10H9180.0°180.0°
C8C9C10C120.2°0.0°
C8C9C10F11179.8°179.9°
C9C8C18C130.9°0.6°
C9C8C18O17179.8°179.9°
C9C10C12F11179.6°179.9°
C9C10C12C130.1°0.0°
C9C10C12H12180.0°180.0°
H9C9C10C12179.8°180.0°
H9C9C10F110.2°0.1°
C10C12C13H12180.0°179.9°
C10C12C13C180.3°0.3°
C10C12C13C14179.7°179.8°
F11C10C12C13179.7°179.9°
F11C10C12H120.4°0.1°
C12C13C18C14179.4°179.8°
C12C13C14O15150.1°164.1°
C12C13C14H1489.9°76.0°
C12C13C14H14A29.5°44.1°
C12C13C18O17180.0°179.9°
H12C12C13C18179.7°179.7°
H12C12C13C140.3°0.1°
C18C13C14O1529.3°15.8°
C18C13C14H1490.6°104.1°
C18C13C14H14A149.9°135.8°
C13C18O17C165.3°16.1°
C13C14O15H14120.0°119.9°
C13C14O15H14A120.5°120.0°
C13C14H14H14A120.6°120.1°
C13C14O15C1657.6°48.6°
C14C13C18O170.5°0.2°
O15C14H14H14A120.6°120.1°
C14O15C16O1754.2°65.5°
C14O15C16H1665.8°54.2°
C14O15C16H16A173.7°174.8°
H14C14O15C1662.4°71.4°
H14AC14O15C16178.1°168.6°
O15C16O17H16120.0°119.7°
O15C16O17H16A119.4°119.7°
O15C16H16H16A119.4°120.5°
O15C16O17C1821.0°47.2°
O17C16H16H16A119.5°120.5°
H16C16O17C1899.0°72.5°
H16AC16O17C18140.5°166.9°
C19C20C21H20180.0°180.0°
C19C20C21C220.1°0.0°
C19C20C21H21179.9°180.0°
C20C19C32C231.0°0.6°
C32C19C20C210.6°0.3°
C32C19C20H20179.4°179.7°
C19C32C23C220.7°0.5°
C19C32C23C24179.7°179.7°
C20C21C22H21180.0°180.0°
C20C21C22C230.4°0.0°
C20C21C22H22179.6°180.0°
H20C20C21C22179.9°180.0°
H20C20C21H210.1°0.0°
C21C22C23H22180.0°180.0°
C21C22C23C320.0°0.3°
C21C22C23C24179.0°180.0°
H21C21C22C23179.6°180.0°
H21C21C22H220.4°0.0°
C22C23C32C24179.0°179.7°
C22C23C24C2518.0°0.0°
C22C23C24H24162.0°180.0°
H22C22C23C32180.0°179.8°
H22C22C23C241.0°0.0°
C32C23C24C25161.0°179.7°
C32C23C24H2419.0°0.2°
C23C24C25H24180.0°179.9°
C23C24C25C26178.7°180.0°
C23C24C25H251.3°0.0°
C24C25C26H25180.0°180.0°
C24C25C26C31143.6°0.3°
C24C25C26C2736.2°180.0°
H24C24C25C261.3°0.0°
H24C24C25H25178.6°179.9°
C25C26C31C27179.8°179.7°
C25C26C27C28179.7°180.0°
C25C26C27H270.2°0.0°
C25C26C31C30179.8°179.8°
C25C26C31H310.2°0.0°
H25C25C26C3136.4°179.7°
H25C25C26C27143.8°0.0°
C31C26C27C280.1°0.2°
C31C26C27H27180.0°179.8°
C26C31C30C290.1°0.5°
C26C31C30H31180.0°179.8°
C26C31C30H30179.9°179.8°
C26C27C28H27180.0°180.0°
C26C27C28C290.2°0.0°
C26C27C28H28179.8°180.0°
C27C26C31C300.0°0.5°
C27C26C31H31180.0°179.7°
C27C28C29H28180.0°180.0°
C27C28C29C300.2°0.0°
C27C28C29H29179.7°179.9°
H27C27C28C29179.9°180.0°
H27C27C28H280.2°0.0°
C28C29C30H29180.0°179.9°
C28C29C30C310.2°0.3°
C28C29C30H30179.8°180.0°
H28C28C29C30179.7°180.0°
H28C28C29H290.3°0.1°
C29C30C31H30180.0°179.7°
C29C30C31H31179.9°179.7°
H29C29C30C31179.8°179.8°
H29C29C30H300.2°0.1°
H30C30C31H310.1°0.0°

224931

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