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XI8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C6doub1.38Å1.44ÅAromatic
C1C2sing1.38Å1.42ÅAromatic
C1C34sing1.51Å1.52Å
C2C3doub1.38Å1.37ÅAromatic
C3C4sing1.38Å1.37ÅAromatic
C4CL8sing1.74Å1.74Å
C4C5doub1.38Å1.40ÅAromatic
C5C6sing1.38Å1.36ÅAromatic
C5CL7sing1.74Å1.73Å
N9C21sing1.35Å1.40Å
N9C33sing1.46Å1.45Å
N9C34sing1.47Å1.48Å
C10C11sing1.41Å1.46Å
C10C14doub1.36Å1.32Å
C11N19doub1.33Å1.29Å
C11N32sing1.37Å1.43Å
C12N32sing1.36Å1.35Å
C12C13doub1.35Å1.36Å
C13C23sing1.51Å1.49Å
C13C14sing1.40Å1.42Å
C15O16doub1.22Å1.28Å
C15C17sing1.40Å1.45Å
C15N32sing1.35Å1.43Å
C17C18doub1.38Å1.40Å
C17C20sing1.51Å1.52Å
C18N19sing1.32Å1.37Å
C20C21sing1.51Å1.52Å
C21O22doub1.21Å1.23Å
C23C27sing1.53Å1.61Å
C23C31sing1.53Å1.53Å
C24C31sing1.53Å1.56Å
C24N25sing1.47Å1.49Å
N25C26sing1.47Å1.51Å
N25C28sing1.35Å1.37Å
C26C27sing1.53Å1.52Å
C28O29doub1.21Å1.26Å
C28C30sing1.51Å1.52Å
C10H38sing1.08Å1.08Å
C18H41sing1.08Å1.08Å
C20H43sing1.09Å1.10Å
C20H42sing1.09Å1.10Å
C23H44sing1.09Å1.10Å
C24H46sing1.09Å1.10Å
C24H45sing1.09Å1.10Å
C26H48sing1.09Å1.10Å
C26H47sing1.09Å1.10Å
C27H49sing1.09Å1.10Å
C27H50sing1.09Å1.10Å
C2H35sing1.08Å1.08Å
C3H36sing1.08Å1.08Å
C6H37sing1.08Å1.08Å
C12H39sing1.08Å1.08Å
C14H40sing1.08Å1.08Å
C30H53sing1.09Å1.10Å
C30H51sing1.09Å1.10Å
C30H52sing1.09Å1.10Å
C31H55sing1.09Å1.10Å
C31H54sing1.09Å1.10Å
C33H57sing1.09Å1.10Å
C33H56sing1.09Å1.10Å
C33H58sing1.09Å1.10Å
C34H60sing1.09Å1.10Å
C34H59sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C1C2123.2°120.0°
C6C1C34119.0°120.0°
C1C6C5115.1°120.0°
C1C6H37122.4°120.0°
C2C1C34117.7°120.0°
C1C2C3119.1°120.0°
C1C2H35120.5°120.0°
C1C34N9115.2°109.5°
C1C34H60108.0°109.5°
C1C34H59108.0°109.5°
C2C3C4117.2°120.0°
C3C2H35120.4°119.9°
C2C3H36121.4°120.0°
C3C4CL8115.7°120.0°
C3C4C5124.6°119.9°
C4C3H36121.4°120.0°
CL8C4C5119.7°120.1°
C4C5C6120.8°120.0°
C4C5CL7119.2°120.0°
C6C5CL7119.8°120.0°
C5C6H37122.5°120.0°
C21N9C33123.2°120.0°
C21N9C34117.7°120.0°
N9C21C20119.5°120.0°
N9C21O22119.2°120.0°
C33N9C34119.0°120.0°
N9C33H57109.5°109.5°
N9C33H56109.5°109.5°
N9C33H58109.4°109.5°
N9C34H60108.0°109.4°
N9C34H59108.0°109.5°
C11C10C14124.2°119.4°
C10C11N19125.8°119.5°
C10C11N32114.4°119.6°
C11C10H38117.9°120.3°
C10C14C13119.5°119.6°
C14C10H38117.9°120.3°
C10C14H40120.2°120.2°
N19C11N32119.9°120.9°
C11N19C18125.0°121.3°
C11N32C12119.1°120.5°
C11N32C15118.5°119.8°
N32C12C13125.6°120.7°
C12N32C15122.4°119.7°
N32C12H39117.2°119.7°
C12C13C23127.5°119.9°
C12C13C14117.1°120.1°
C13C12H39117.2°119.6°
C23C13C14115.3°119.9°
C13C23C27111.9°109.4°
C13C23C31111.2°109.5°
C13C23H44107.9°109.5°
C13C14H40120.2°120.2°
O16C15C17126.5°120.6°
O16C15N32114.3°120.4°
C17C15N32119.2°119.0°
C15C17C18117.8°118.9°
C15C17C20120.0°120.5°
C18C17C20122.1°120.5°
C17C18N19119.6°120.0°
C17C18H41120.2°119.9°
C17C20C21111.4°109.4°
C17C20H43109.0°109.5°
C17C20H42109.0°109.4°
N19C18H41120.2°120.0°
C20C21O22121.2°120.0°
C21C20H43109.0°109.5°
C21C20H42109.0°109.5°
C27C23C31111.8°109.5°
C23C27C26108.0°109.3°
C27C23H44106.4°109.5°
C23C27H49109.8°109.5°
C23C27H50109.8°109.5°
C23C31C24106.9°109.3°
C31C23H44107.3°109.4°
C23C31H55110.1°109.5°
C23C31H54110.1°109.5°
C31C24N25106.8°108.8°
C31C24H46110.1°109.6°
C31C24H45110.1°109.6°
C24C31H55110.1°109.5°
C24C31H54110.1°109.5°
C24N25C26112.8°118.7°
C24N25C28122.1°120.7°
N25C24H46110.2°109.6°
N25C24H45110.1°109.6°
C26N25C28125.0°120.6°
N25C26C27108.0°108.8°
N25C26H48109.8°109.5°
N25C26H47109.8°109.7°
N25C28O29121.5°120.0°
N25C28C30118.4°120.0°
C27C26H48109.8°109.6°
C27C26H47109.8°109.6°
C26C27H49109.8°109.5°
C26C27H50109.9°109.5°
O29C28C30120.2°120.0°
C28C30H53109.5°109.5°
C28C30H51109.5°109.5°
C28C30H52109.5°109.5°
H43C20H42109.5°109.5°
H46C24H45109.5°109.7°
H48C26H47109.5°109.6°
H49C27H50109.5°109.5°
H53C30H51109.5°109.5°
H53C30H52109.4°109.5°
H51C30H52109.5°109.4°
H55C31H54109.5°109.5°
H57C33H56109.5°109.5°
H57C33H58109.5°109.5°
H56C33H58109.5°109.4°
H60C34H59109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C1C2C34175.2°179.7°
C6C1C2C32.0°0.0°
C1C6C5C41.1°0.0°
C1C6C5H37180.0°179.9°
C1C6C5CL7174.4°179.9°
C6C1C34N938.4°90.0°
C6C1C2H35178.0°180.0°
C6C1C34H60159.3°150.1°
C6C1C34H5982.4°30.1°
C1C2C3H35180.0°180.0°
C1C2C3C41.3°0.0°
C2C1C6C51.9°0.1°
C2C1C34N9146.1°89.7°
C1C2C3H36178.8°179.9°
C2C1C6H37178.1°179.9°
C2C1C34H6025.3°30.3°
C2C1C34H5993.1°150.3°
C34C1C2C3173.2°179.7°
C34C1C6C5173.3°179.7°
C1C34N9C2178.2°90.0°
C1C34N9C33105.0°90.1°
C1C34N9H60120.8°120.0°
C1C34N9H59120.8°120.1°
C34C1C2H356.8°0.3°
C34C1C6H376.7°0.4°
C1C34H60H59117.4°120.1°
C2C3C4H36180.0°179.9°
C2C3C4CL8179.8°180.0°
C2C3C4C50.6°0.1°
C3C4CL8C5179.2°180.0°
C3C4C5C60.6°0.0°
C3C4C5CL7175.0°180.0°
C4C3C2H35178.7°180.0°
CL8C4C5C6179.7°180.0°
CL8C4C5CL74.2°0.0°
CL8C4C3H360.2°0.1°
C4C5C6CL7175.6°179.9°
C5C4C3H36179.4°180.0°
C4C5C6H37178.9°179.9°
CL7C5C6H375.6°0.0°
C21N9C33C34176.7°179.9°
N9C21C20C17154.2°180.0°
N9C21C20O22178.4°179.9°
N9C21C20H4333.9°60.0°
N9C21C20H4285.6°60.1°
C21N9C33H57180.0°90.0°
C21N9C33H5660.0°150.0°
C21N9C33H5860.0°30.1°
C21N9C34H6042.7°30.0°
C21N9C34H59161.0°149.9°
C33N9C21C201.6°0.1°
C33N9C21O22176.8°180.0°
N9C33H57H56120.0°120.0°
N9C33H57H58120.0°120.1°
N9C33H56H58120.0°119.9°
C33N9C34H60134.2°149.9°
C33N9C34H5915.8°30.0°
C34N9C21C20178.3°180.0°
C34N9C21O220.1°0.1°
C34N9C33H573.3°90.0°
C34N9C33H56123.3°30.1°
C34N9C33H58116.7°150.0°
N9C34H60H59117.4°119.9°
C11C10C14H38180.0°179.8°
C10C11N19N32178.4°180.0°
C10C11N32C122.1°0.1°
C11C10C14C131.2°0.1°
C10C11N32C15179.0°180.0°
C10C11N19C18179.5°180.0°
C11C10C14H40178.9°180.0°
C14C10C11N19176.9°180.0°
C14C10C11N321.6°0.0°
C10C14C13C123.3°0.2°
C10C14C13C23172.3°180.0°
C10C14C13H40180.0°179.9°
N19C11N32C12176.5°179.9°
N19C11N32C152.4°0.0°
C11N19C18C171.9°0.0°
N19C11C10H383.1°0.3°
C11N19C18H41178.1°179.9°
C11N32C12C15178.8°179.9°
C11N32C12C130.1°0.2°
C11N32C15O16175.7°180.0°
C11N32C15C172.5°0.0°
N32C11N19C182.2°0.0°
N32C11C10H38178.4°179.8°
C11N32C12H39179.9°180.0°
N32C12C13H39180.0°179.8°
N32C12C13C23172.1°179.9°
N32C12C13C142.9°0.2°
C12N32C15O165.5°0.0°
C12N32C15C17176.4°180.0°
C12C13C23C14175.1°179.8°
C13C12N32C15178.7°179.9°
C12C13C23C2718.4°120.1°
C12C13C23C31107.5°119.8°
C12C13C23H44135.2°0.1°
C12C13C14H40176.7°179.9°
C13C23C27C31125.6°120.0°
C13C23C27H44117.6°120.0°
C13C23C31H44117.7°120.0°
C13C23C31C24175.4°178.6°
C13C23C27C26177.5°178.6°
C13C23C27H4957.7°58.7°
C13C23C27H5062.7°61.4°
C23C13C12H397.8°0.1°
C23C13C14H407.7°0.1°
C13C23C31H5565.0°61.4°
C13C23C31H5455.8°58.7°
C14C13C23C27166.5°60.0°
C14C13C23C3167.6°60.0°
C13C14C10H38178.8°179.7°
C14C13C23H4449.7°180.0°
C14C13C12H39177.1°180.0°
O16C15C17N32177.9°180.0°
O16C15C17C18175.7°179.9°
O16C15C17C207.6°0.0°
C15C17C18C20176.7°179.9°
C15C17C18N191.9°0.1°
C15C17C20C2164.0°85.0°
C15C17C18H41178.2°180.0°
C15C17C20H4356.2°35.0°
C15C17C20H42175.7°155.0°
N32C15C17C182.2°0.1°
N32C15C17C20174.5°180.0°
C15N32C12H391.3°0.1°
C17C18N19H41180.0°179.9°
C18C17C20C21112.6°95.0°
C18C17C20H43127.2°144.9°
C18C17C20H427.7°24.9°
C20C17C18N19174.8°180.0°
C17C20C21H43120.3°120.0°
C17C20C21H42120.3°119.9°
C17C20C21O2227.5°0.1°
C20C17C18H415.2°0.1°
C17C20H43H42119.1°120.0°
C21C20H43H42119.1°120.0°
O22C21C20H43147.8°119.9°
O22C21C20H4292.8°120.0°
C27C23C31H44116.3°120.0°
C27C23C31C2458.6°61.4°
C23C27C26N2556.0°54.6°
C23C27C26H49119.8°119.9°
C23C27C26H50119.8°120.0°
C23C27C26H48175.7°65.1°
C23C27C26H4763.8°174.6°
C23C27H49H50120.6°120.1°
C27C23C31H5561.0°58.6°
C27C23C31H54178.2°178.7°
C23C31C24H55119.6°119.9°
C23C31C24H54119.6°119.9°
C23C31C24N2561.5°54.6°
C31C23C27C2656.9°61.4°
C23C31C24H46178.9°65.1°
C23C31C24H4558.1°174.4°
C31C23C27H49176.7°178.7°
C31C23C27H5062.9°58.6°
C23C31H55H54121.2°120.1°
C31C24N25H46119.6°119.7°
C31C24N25H45119.6°119.8°
C31C24N25C2667.1°53.6°
C31C24N25C28113.3°126.4°
C24C31C23H4457.7°58.6°
C31C24H46H45121.2°120.3°
C24C31H55H54121.2°120.1°
C24N25C26C28179.6°179.9°
C24N25C26C2765.3°53.6°
C24N25C28O291.1°174.6°
C24N25C28C30179.8°5.5°
N25C24H46H45121.2°120.4°
C24N25C26H48174.9°66.2°
C24N25C26H4754.5°173.5°
N25C24C31H5558.1°65.3°
N25C24C31H54178.9°174.6°
N25C26C27H48119.8°119.7°
N25C26C27H47119.8°119.9°
C26N25C28O29179.2°5.4°
C26N25C28C300.1°174.6°
C26N25C24H46173.3°66.2°
C26N25C24H4552.5°173.4°
N25C26H48H47120.7°120.4°
N25C26C27H49175.7°174.5°
N25C26C27H5063.8°65.4°
C28N25C26C27115.1°126.4°
N25C28O29C30179.1°180.0°
C28N25C24H466.3°113.9°
C28N25C24H45127.2°6.6°
C28N25C26H484.7°113.9°
C28N25C26H47125.2°6.5°
N25C28C30H53179.1°94.7°
N25C28C30H5160.9°25.4°
N25C28C30H5259.1°145.3°
C26C27C23H4459.9°58.6°
C27C26H48H47120.7°120.3°
C26C27H49H50120.7°120.1°
O29C28C30H530.0°85.3°
O29C28C30H51120.0°154.6°
O29C28C30H52120.0°34.7°
C28C30H53H51120.0°120.0°
C28C30H53H52120.0°120.0°
C28C30H51H52120.0°120.0°
H38C10C14H401.1°0.2°
H44C23C27H4959.9°61.3°
H44C23C27H50179.7°178.6°
H44C23C31H55177.3°178.6°
H44C23C31H5461.9°61.3°
H46C24C31H5561.5°174.9°
H46C24C31H5459.3°54.8°
H45C24C31H55177.7°54.5°
H45C24C31H5461.5°65.6°
H48C26C27H4964.5°54.8°
H48C26C27H5056.0°174.9°
H47C26C27H4956.0°65.5°
H47C26C27H50176.5°54.6°
H35C2C3H361.3°0.1°
H53C30H51H52120.0°120.0°
H57C33H56H58120.0°120.0°

248942

PDB entries from 2026-02-11

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