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O4D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16C17sing1.41Å1.43ÅAromatic
C16C15doub1.35Å1.38ÅAromatic
C17C14doub1.35Å1.39ÅAromatic
C15N6sing1.37Å1.42ÅAromatic
C14N6sing1.37Å1.40ÅAromatic
N6C1sing1.40Å1.39Å
C21C8sing1.51Å1.52Å
C1C5sing1.46Å1.44ÅAromatic
C1N4doub1.31Å1.35ÅAromatic
C8C5doub1.40Å1.43ÅAromatic
C8C12sing1.37Å1.39ÅAromatic
C5C3sing1.41Å1.44ÅAromatic
N4N2sing1.40Å1.35ÅAromatic
O18C10doub1.21Å1.23Å
C12C13doub1.39Å1.44ÅAromatic
C26C23sing1.53Å1.56Å
C26N20sing1.46Å1.48Å
C3N2sing1.37Å1.40ÅAromatic
C3N7doub1.33Å1.37ÅAromatic
N2C9sing1.46Å1.48Å
C10N20sing1.35Å1.39Å
C10C9sing1.51Å1.52Å
C23C22sing1.53Å1.55Å
C13N7sing1.32Å1.35ÅAromatic
C13C29sing1.51Å1.49Å
C22N11sing1.47Å1.52Å
C25N11sing1.47Å1.51Å
C25C27sing1.53Å1.55Å
N11C24sing1.47Å1.56Å
C27O19sing1.43Å1.36Å
C24C28sing1.53Å1.59Å
O19C28sing1.43Å1.34Å
C12H32sing1.08Å1.08Å
C14H33sing1.08Å1.08Å
C15H34sing1.08Å1.08Å
C16H35sing1.08Å1.08Å
C17H36sing1.08Å1.08Å
C21H39sing1.09Å1.10Å
C21H40sing1.09Å1.10Å
C21H38sing1.09Å1.10Å
C22H41sing1.09Å1.10Å
C22H42sing1.09Å1.10Å
C23H43sing1.09Å1.10Å
C23H44sing1.09Å1.10Å
C24H46sing1.09Å1.10Å
C24H45sing1.09Å1.10Å
C25H48sing1.09Å1.10Å
C25H47sing1.09Å1.10Å
C26H50sing1.09Å1.10Å
C26H49sing1.09Å1.10Å
C27H51sing1.09Å1.10Å
C27H52sing1.09Å1.10Å
C28H54sing1.09Å1.10Å
C28H53sing1.09Å1.10Å
C29H55sing1.09Å1.10Å
C29H57sing1.09Å1.10Å
C29H56sing1.09Å1.10Å
C9H30sing1.09Å1.10Å
C9H31sing1.09Å1.10Å
N20H37sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C17C16C15108.4°107.4°
C16C17C14108.3°107.5°
C17C16H35125.8°126.3°
C16C17H36125.9°126.3°
C16C15N6106.9°108.3°
C16C15H34126.6°125.8°
C15C16H35125.8°126.3°
C17C14N6106.8°108.2°
C17C14H33126.6°125.9°
C14C17H36125.8°126.3°
C15N6C14109.6°108.7°
C15N6C1124.9°125.7°
N6C15H34126.6°125.9°
C14N6C1125.4°125.7°
N6C14H33126.6°125.9°
N6C1C5127.7°126.2°
N6C1N4119.7°126.3°
C21C8C5124.1°120.9°
C21C8C12120.4°120.9°
C8C21H39109.5°109.5°
C8C21H40109.5°109.4°
C8C21H38109.5°109.4°
C5C1N4112.0°107.5°
C1C5C8138.8°134.2°
C1C5C3102.8°106.4°
C1N4N2107.2°110.1°
C5C8C12115.5°118.2°
C8C5C3118.4°119.3°
C8C12C13120.9°119.6°
C8C12H32119.6°120.2°
C5C3N2106.9°106.6°
C5C3N7126.9°119.8°
N4N2C3111.0°109.4°
N4N2C9120.2°125.3°
O18C10N20124.5°120.0°
O18C10C9117.5°119.9°
C12C13N7125.8°121.5°
C12C13C29120.0°119.2°
C13C12H32119.5°120.2°
C23C26N20109.3°109.5°
C26C23C22112.6°109.4°
C26C23H43108.7°109.5°
C26C23H44108.7°109.5°
C23C26H50109.5°109.5°
C23C26H49109.5°109.5°
C26N20C10121.0°120.0°
N20C26H50109.5°109.5°
N20C26H49109.5°109.4°
C26N20H37119.5°120.0°
N2C3N7126.1°133.5°
C3N2C9128.8°125.3°
C3N7C13112.4°121.5°
N2C9C10105.0°109.5°
N2C9H30110.6°109.5°
N2C9H31110.6°109.5°
N20C10C9117.9°120.0°
C10N20H37119.5°120.0°
C10C9H30110.6°109.5°
C10C9H31110.6°109.4°
C23C22N11108.9°109.5°
C23C22H41109.6°109.4°
C23C22H42109.6°109.5°
C22C23H43108.7°109.5°
C22C23H44108.7°109.5°
N7C13C29114.0°119.3°
C13C29H55109.5°109.4°
C13C29H57109.5°109.4°
C13C29H56109.5°109.5°
C22N11C25107.3°111.0°
C22N11C24115.0°111.0°
N11C22H41109.6°109.4°
N11C22H42109.6°109.4°
N11C25C27111.4°109.3°
C25N11C24113.4°110.7°
N11C25H48109.0°109.5°
N11C25H47109.0°109.5°
C25C27O19107.5°109.2°
C27C25H48109.0°109.5°
C27C25H47109.0°109.6°
C25C27H51110.0°109.5°
C25C27H52110.0°109.5°
N11C24C28115.5°109.3°
N11C24H46108.0°109.5°
N11C24H45107.9°109.6°
C27O19C28115.1°113.8°
O19C27H51109.9°109.5°
O19C27H52110.0°109.5°
C24C28O19114.0°109.2°
C28C24H46108.0°109.5°
C28C24H45108.0°109.5°
C24C28H54108.3°109.5°
C24C28H53108.3°109.5°
O19C28H54108.3°109.5°
O19C28H53108.3°109.6°
H39C21H40109.5°109.5°
H39C21H38109.4°109.5°
H40C21H38109.5°109.5°
H41C22H42109.5°109.5°
H43C23H44109.5°109.5°
H46C24H45109.5°109.5°
H48C25H47109.5°109.5°
H50C26H49109.5°109.5°
H51C27H52109.5°109.6°
H54C28H53109.5°109.5°
H55C29H57109.5°109.5°
H55C29H56109.4°109.5°
H57C29H56109.4°109.5°
H30C9H31109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C17C16C15H35180.0°179.8°
C16C17C14H36180.0°179.9°
C17C16C15N60.1°0.4°
C16C17C14N60.2°0.1°
C16C17C14H33179.8°179.7°
C17C16C15H34179.9°180.0°
C15C16C17C140.0°0.2°
C16C15N6H34180.0°179.6°
C16C15N6C140.2°0.4°
C16C15N6C1176.2°179.6°
C15C16C17H36180.0°179.7°
C17C14N6C150.2°0.3°
C17C14N6H33180.0°179.7°
C17C14N6C1176.2°179.7°
C14C17C16H35180.0°180.0°
C15N6C14C1176.4°180.0°
C15N6C1C547.6°35.0°
C15N6C1N4122.8°144.7°
C15N6C14H33179.7°179.9°
N6C15C16H35179.9°179.8°
C14N6C1C5136.5°145.0°
C14N6C1N453.1°35.4°
C14N6C15H34179.8°180.0°
N6C14C17H36179.8°180.0°
N6C1C5N4171.0°179.7°
N6C1C5C811.5°0.2°
N6C1C5C3168.2°179.7°
N6C1N4N2169.9°179.8°
C1N6C14H333.8°0.1°
C1N6C15H343.8°0.0°
C21C8C5C13.2°0.0°
C21C8C5C12179.5°180.0°
C21C8C5C3177.2°180.0°
C21C8C12C13179.7°180.0°
C21C8C12H320.3°0.0°
C8C21H39H40120.0°120.0°
C8C21H39H38120.0°120.0°
C8C21H40H38120.0°119.9°
C1C5C8C3179.7°179.9°
C1C5C8C12177.3°180.0°
C5C1N4N21.9°0.0°
C1C5C3N22.5°0.1°
C1C5C3N7176.6°180.0°
N4C1C5C8177.6°180.0°
N4C1C5C32.7°0.0°
C1N4N2C30.2°0.1°
C1N4N2C9179.7°179.9°
C5C8C12C130.1°0.0°
C8C5C3N2177.8°180.0°
C8C5C3N73.1°0.1°
C5C8C12H32179.9°180.0°
C5C8C21H3990.2°90.0°
C5C8C21H40149.7°150.0°
C5C8C21H3829.7°30.0°
C12C8C5C32.4°0.0°
C8C12C13H32180.0°180.0°
C8C12C13N72.6°0.0°
C8C12C13C29172.4°180.0°
C12C8C21H3990.3°90.0°
C12C8C21H4029.8°30.0°
C12C8C21H38149.8°150.0°
C5C3N2N41.6°0.1°
C5C3N2N7179.1°179.9°
C5C3N2C9178.0°180.0°
C5C3N7C130.9°0.1°
N4N2C3C9179.5°179.9°
N4N2C3N7177.6°180.0°
N4N2C9C1074.9°89.9°
N4N2C9H3044.3°150.1°
N4N2C9H31165.8°30.1°
O18C10N20C263.4°0.1°
O18C10C9N228.2°0.0°
O18C10N20C9177.4°180.0°
O18C10C9H30147.5°120.1°
O18C10C9H3191.1°120.0°
O18C10N20H37176.6°180.0°
C12C13N7C32.0°0.0°
C12C13N7C29175.2°180.0°
C12C13C29H55175.5°90.0°
C12C13C29H5764.5°150.0°
C12C13C29H5655.5°30.0°
C23C26N20H50120.0°120.0°
C23C26N20H49120.0°120.0°
C23C26N20C1078.0°180.0°
C26C23C22H43120.5°120.0°
C26C23C22H44120.4°120.0°
C26C23C22N11144.8°180.0°
C26C23C22H4124.9°60.0°
C26C23C22H4295.3°60.0°
C26C23H43H44118.6°120.0°
C23C26H50H49120.1°120.0°
C23C26N20H37102.0°0.0°
C26N20C10H37180.0°180.0°
C26N20C10C9179.2°180.0°
N20C26C23C2252.0°180.0°
N20C26C23H4368.4°60.0°
N20C26C23H44172.5°60.0°
N20C26H50H49120.1°119.9°
C3N2C9C10105.6°89.9°
N2C3N7C13179.8°180.0°
C3N2C9H30135.1°30.1°
C3N2C9H3113.7°150.1°
N7C3N2C92.9°0.1°
C3N7C13C29173.2°180.0°
N2C9C10N20149.4°180.0°
N2C9C10H30119.3°120.1°
N2C9C10H31119.3°120.0°
N2C9H30H31122.1°120.0°
C10N20C26H50162.0°60.0°
C10N20C26H4942.0°59.9°
N20C10C9H3030.1°60.0°
N20C10C9H3191.3°60.0°
C10C9H30H31122.1°119.9°
C9C10N20H370.8°0.0°
C23C22N11H41119.9°119.9°
C23C22N11H42119.9°120.0°
C23C22N11C2576.5°170.0°
C23C22N11C24156.3°66.3°
C23C22H41H42120.3°120.1°
C22C23H43H44118.6°120.0°
C22C23C26H5067.9°60.0°
C22C23C26H49172.0°60.0°
N7C13C12H32177.4°180.0°
N7C13C29H550.0°90.0°
N7C13C29H57120.0°30.0°
N7C13C29H56120.0°150.0°
C29C13C12H327.7°0.0°
C13C29H55H57120.0°119.9°
C13C29H55H56120.0°120.0°
C13C29H57H56120.0°120.1°
C22N11C25C24128.1°123.8°
C22N11C25C27164.2°177.6°
C22N11C24C28142.1°177.6°
N11C22H41H42120.2°120.0°
N11C22C23H4394.8°60.0°
N11C22C23H4424.3°60.0°
C22N11C24H4697.0°62.5°
C22N11C24H4521.2°57.6°
C22N11C25H4843.9°57.7°
C22N11C25H4775.5°62.4°
N11C25C27H48120.3°119.9°
N11C25C27H47120.3°120.0°
N11C25C27O1962.1°56.9°
C25N11C24C2818.1°58.6°
C25N11C22H41163.6°70.0°
C25N11C22H4243.4°50.0°
C25N11C24H46139.0°61.3°
C25N11C24H45102.8°178.6°
N11C25H48H47119.1°120.0°
N11C25C27H51178.3°176.8°
N11C25C27H5257.6°63.1°
C27C25N11C2436.1°58.6°
C25C27O19H51119.7°119.9°
C25C27O19H52119.7°120.0°
C25C27O19C2873.0°58.7°
C27C25H48H47119.1°120.2°
C25C27H51H52120.9°120.1°
N11C24C28H46120.9°119.9°
N11C24C28H45120.9°120.0°
N11C24C28O1923.9°56.8°
C24N11C22H4136.4°53.6°
C24N11C22H4283.8°173.7°
N11C24H46H45117.3°120.2°
C24N11C25H4884.2°178.6°
C24N11C25H47156.4°61.4°
N11C24C28H5496.8°63.1°
N11C24C28H53144.6°176.8°
C27O19C28C2453.3°58.7°
O19C27C25H4858.2°176.8°
O19C27C25H47177.6°63.1°
O19C27H51H52120.9°120.1°
C27O19C28H5467.4°61.3°
C27O19C28H53174.0°178.6°
C24C28O19H54120.7°120.0°
C24C28O19H53120.7°120.0°
C28C24H46H45117.3°120.1°
C24C28H54H53117.9°120.1°
O19C28C24H46144.8°63.1°
O19C28C24H4597.0°176.8°
C28O19C27H51167.4°178.6°
C28O19C27H5246.7°61.3°
O19C28H54H53117.9°120.1°
H33C14C17H360.2°0.4°
H34C15C16H350.1°0.2°
H35C16C17H360.0°0.1°
H39C21H40H38119.9°120.1°
H41C22C23H43145.3°59.9°
H41C22C23H4495.6°180.0°
H42C22C23H4325.1°180.0°
H42C22C23H44144.2°59.9°
H43C23C26H50171.6°180.0°
H43C23C26H4951.5°60.0°
H44C23C26H5052.5°60.0°
H44C23C26H4967.5°180.0°
H46C24C28H5424.1°177.0°
H46C24C28H5394.6°56.9°
H45C24C28H54142.4°56.9°
H45C24C28H5323.7°63.2°
H48C25C27H5161.5°63.3°
H48C25C27H52177.9°56.8°
H47C25C27H5158.0°56.8°
H47C25C27H5262.7°177.0°
H50C26N20H3718.0°120.0°
H49C26N20H37138.1°120.0°
H55C29H57H56120.0°120.0°

224931

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