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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.51Å1.51Å
C2C3doub1.38Å1.42ÅAromatic
C2C20sing1.40Å1.44ÅAromatic
C3C4sing1.38Å1.40ÅAromatic
C4C5doub1.39Å1.41ÅAromatic
C5N6sing1.40Å1.43Å
C5C19sing1.39Å1.41ÅAromatic
N6C7sing1.35Å1.37Å
C7O8doub1.22Å1.21Å
C7C9sing1.48Å1.46Å
C9C10doub1.40Å1.43ÅAromatic
C9C14sing1.40Å1.41ÅAromatic
C10C11sing1.38Å1.40ÅAromatic
C11C12doub1.38Å1.43ÅAromatic
C12C13sing1.38Å1.40ÅAromatic
C13C14doub1.38Å1.38ÅAromatic
C13C15sing1.51Å1.49Å
C15F16sing1.40Å1.39Å
C15F17sing1.40Å1.38Å
C15F18sing1.40Å1.37Å
C19C20doub1.39Å1.41ÅAromatic
C20C21sing1.48Å1.51Å
C21C22doub1.37Å1.38Å
C21C38sing1.46Å1.49Å
C22C23sing1.41Å1.47Å
C23C24doub1.40Å1.42ÅAromatic
C23C35sing1.41Å1.43ÅAromatic
C24N25sing1.32Å1.35ÅAromatic
N25C26doub1.33Å1.35ÅAromatic
C26N27sing1.38Å1.39Å
C26N34sing1.32Å1.31ÅAromatic
N27C28sing1.40Å1.41Å
C28C29doub1.39Å1.45ÅAromatic
C28C33sing1.39Å1.40ÅAromatic
C29C30sing1.38Å1.42ÅAromatic
C30C31doub1.38Å1.45ÅAromatic
C31C32sing1.38Å1.37ÅAromatic
C32C33doub1.38Å1.44ÅAromatic
N34C35doub1.33Å1.32ÅAromatic
C35N36sing1.37Å1.38Å
N36C37sing1.46Å1.51Å
N36C38sing1.35Å1.37Å
C38O39doub1.22Å1.22Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
C3H3sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
N6HN6sing0.97Å1.00Å
C10H10sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
N27HN27sing0.97Å1.00Å
C29H29sing1.08Å1.08Å
C30H30sing1.08Å1.08Å
C31H31sing1.08Å1.08Å
C32H32sing1.08Å1.08Å
C33H33sing1.08Å1.08Å
C37H37sing1.09Å1.10Å
C37H37Asing1.09Å1.10Å
C37H37Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3119.4°120.0°
C1C2C20121.6°120.0°
C2C1H1109.5°109.5°
C2C1H1A109.5°109.5°
C2C1H1B109.5°109.4°
C3C2C20119.0°120.0°
C2C3C4120.2°120.2°
C2C3H3119.9°119.9°
C2C20C19119.5°119.8°
C2C20C21120.6°120.0°
C3C4C5121.0°120.2°
C4C3H3119.9°119.9°
C3C4H4119.5°119.9°
C4C5N6115.9°120.0°
C4C5C19119.1°119.9°
C5C4H4119.5°119.9°
N6C5C19124.9°120.0°
C5N6C7128.6°120.0°
C5N6HN6115.7°120.0°
C5C19C20121.2°119.8°
C5C19H19119.4°120.1°
N6C7O8123.3°120.0°
N6C7C9120.8°120.0°
C7N6HN6115.7°120.0°
O8C7C9115.9°120.0°
C7C9C10123.4°120.1°
C7C9C14116.2°120.2°
C10C9C14120.5°119.7°
C9C10C11118.6°119.8°
C9C10H10120.7°120.1°
C9C14C13120.8°119.8°
C9C14H14119.6°120.0°
C10C11C12119.9°120.1°
C11C10H10120.7°120.1°
C10C11H11120.0°119.9°
C11C12C13120.7°120.3°
C12C11H11120.1°120.0°
C11C12H12119.6°119.8°
C12C13C14119.5°120.2°
C12C13C15121.5°119.9°
C13C12H12119.7°119.8°
C14C13C15119.0°119.9°
C13C14H14119.6°120.1°
C13C15F16114.2°109.5°
C13C15F17112.8°109.5°
C13C15F18105.3°109.5°
F16C15F17112.0°109.4°
F16C15F18109.3°109.5°
F17C15F18102.3°109.5°
C19C20C21119.8°120.1°
C20C19H19119.4°120.1°
C20C21C22123.3°120.3°
C20C21C38116.7°120.2°
C22C21C38120.0°119.4°
C21C22C23117.3°119.0°
C21C22H22121.3°120.5°
C21C38N36121.5°120.3°
C21C38O39119.9°119.9°
C22C23C24122.9°121.2°
C22C23C35120.5°120.2°
C23C22H22121.4°120.5°
C24C23C35116.6°118.6°
C23C24N25118.9°118.6°
C23C24H24120.5°120.7°
C23C35N34119.6°118.7°
C23C35N36121.2°120.4°
C24N25C26121.6°121.2°
N25C24H24120.5°120.7°
N25C26N27118.8°118.8°
N25C26N34120.4°122.4°
N27C26N34120.7°118.8°
C26N27C28128.9°120.0°
C26N27HN27115.6°119.9°
C26N34C35122.8°120.5°
N27C28C29123.3°120.1°
N27C28C33116.6°120.1°
C28N27HN27115.6°120.0°
C29C28C33120.1°119.9°
C28C29C30118.5°119.9°
C28C29H29120.8°120.0°
C28C33C32120.0°119.9°
C28C33H33120.0°120.1°
C29C30C31120.8°120.0°
C30C29H29120.7°120.1°
C29C30H30119.6°120.0°
C30C31C32119.3°120.2°
C31C30H30119.6°120.0°
C30C31H31120.4°119.9°
C31C32C33121.1°120.1°
C32C31H31120.3°119.9°
C31C32H32119.4°120.0°
C33C32H32119.4°120.0°
C32C33H33120.0°120.0°
N34C35N36119.1°120.9°
C35N36C37121.1°119.7°
C35N36C38119.5°120.6°
C37N36C38119.4°119.7°
N36C37H37109.5°109.4°
N36C37H37A109.4°109.5°
N36C37H37B109.5°109.5°
N36C38O39118.6°119.8°
H1C1H1A109.5°109.5°
H1C1H1B109.5°109.5°
H1AC1H1B109.5°109.5°
H37C37H37A109.5°109.5°
H37C37H37B109.4°109.5°
H37AC37H37B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C20178.9°179.7°
C1C2C3C4177.4°180.0°
C1C2C20C19179.3°179.8°
C1C2C20C212.6°0.0°
C2C1H1H1A120.0°120.0°
C2C1H1H1B120.0°120.0°
C2C1H1AH1B120.0°120.0°
C1C2C3H32.7°0.1°
C2C3C4H3180.0°180.0°
C2C3C4C53.7°0.0°
C3C2C20C190.4°0.5°
C3C2C20C21178.5°179.7°
C3C2C1H189.5°90.0°
C3C2C1H1A150.5°150.0°
C3C2C1H1B30.5°29.9°
C2C3C4H4176.3°179.9°
C20C2C3C41.6°0.3°
C2C20C19C50.4°0.4°
C2C20C19C21178.0°179.8°
C2C20C21C22102.8°75.0°
C2C20C21C3875.7°104.8°
C20C2C1H189.4°90.3°
C20C2C1H1A30.6°29.7°
C20C2C1H1B150.6°149.7°
C20C2C3H3178.4°179.7°
C2C20C19H19179.6°179.7°
C3C4C5H4180.0°179.9°
C3C4C5N6178.4°180.0°
C3C4C5C193.7°0.1°
C4C5N6C19177.8°179.9°
C4C5N6C7151.0°144.7°
C4C5C19C201.6°0.2°
C5C4C3H3176.3°180.0°
C4C5N6HN629.0°35.3°
C4C5C19H19178.4°180.0°
C5N6C7HN6180.0°180.0°
C5N6C7O82.3°4.0°
C5N6C7C9176.6°175.9°
N6C5C19C20179.3°179.8°
N6C5C4H41.6°0.1°
N6C5C19H190.7°0.1°
C19C5N6C726.8°35.3°
C5C19C20H19180.0°179.9°
C5C19C20C21178.4°179.8°
C19C5C4H4176.3°180.0°
C19C5N6HN6153.2°144.8°
N6C7O8C9178.9°180.0°
N6C7C9C101.7°0.0°
N6C7C9C14177.2°179.8°
O8C7C9C10179.4°180.0°
O8C7C9C141.7°0.2°
O8C7N6HN6177.7°176.0°
C7C9C10C14178.8°179.8°
C7C9C10C11178.4°180.0°
C7C9C14C13178.9°179.7°
C9C7N6HN63.4°4.0°
C7C9C10H101.6°0.0°
C7C9C14H141.0°0.0°
C9C10C11H10180.0°180.0°
C9C10C11C121.1°0.0°
C10C9C14C130.0°0.6°
C9C10C11H11178.9°179.9°
C10C9C14H14180.0°179.7°
C14C9C10C110.5°0.3°
C9C14C13C120.1°0.6°
C9C14C13H14180.0°179.7°
C9C14C13C15178.1°179.8°
C14C9C10H10179.5°179.8°
C10C11C12H11180.0°179.9°
C10C11C12C131.2°0.0°
C10C11C12H12178.7°180.0°
C11C12C13H12180.0°179.9°
C11C12C13C140.7°0.4°
C11C12C13C15177.4°180.0°
C12C11C10H10178.9°180.0°
C12C13C14C15178.2°179.6°
C12C13C15F1656.1°0.1°
C12C13C15F17174.6°119.9°
C12C13C15F1863.8°120.1°
C13C12C11H11178.8°179.9°
C12C13C14H14179.9°179.7°
C14C13C15F16125.8°179.7°
C14C13C15F173.6°59.7°
C14C13C15F18114.3°60.3°
C14C13C12H12179.3°179.7°
C13C15F16F17129.8°120.0°
C13C15F16F18117.7°120.0°
C13C15F17F18112.7°120.0°
C15C13C12H122.6°0.1°
C15C13C14H141.9°0.0°
F16C15F17F18116.9°120.0°
C19C20C21C2279.2°105.2°
C19C20C21C38102.3°75.0°
C20C21C22C38178.5°179.8°
C20C21C22C23179.4°180.0°
C20C21C38N36179.2°179.7°
C20C21C38O390.7°0.1°
C21C20C19H191.6°0.1°
C20C21C22H220.6°0.1°
C21C22C23H22180.0°179.9°
C21C22C23C24178.2°180.0°
C21C22C23C352.5°0.1°
C22C21C38N360.6°0.5°
C22C21C38O39179.3°179.7°
C38C21C22C232.1°0.3°
C21C38N36C350.8°0.5°
C21C38N36C37179.9°179.8°
C21C38N36O39179.9°179.8°
C38C21C22H22177.9°179.8°
C22C23C24C35179.3°179.9°
C22C23C24N25179.8°179.9°
C22C23C35N34179.3°179.9°
C22C23C35N361.2°0.0°
C22C23C24H240.2°0.1°
C23C24N25H24180.0°180.0°
C23C24N25C260.1°0.0°
C24C23C35N340.0°0.0°
C24C23C35N36179.4°180.0°
C24C23C22H221.8°0.1°
C35C23C24N250.5°0.0°
C23C35N34C261.1°0.1°
C23C35N34N36179.5°179.9°
C23C35N36C37179.5°180.0°
C23C35N36C380.4°0.3°
C35C23C22H22177.5°180.0°
C35C23C24H24179.5°180.0°
C24N25C26N27179.2°180.0°
C24N25C26N341.1°0.1°
N25C26N27N34179.7°179.9°
N25C26N27C28178.5°3.7°
N25C26N34C351.7°0.2°
C26N25C24H24180.0°180.0°
N25C26N27HN271.5°176.3°
C26N27C28HN27180.0°179.9°
C26N27C28C2919.6°144.3°
C26N27C28C33162.5°35.9°
N27C26N34C35178.6°180.0°
N34C26N27C281.8°176.2°
C26N34C35N36178.3°180.0°
N34C26N27HN27178.2°3.8°
N27C28C29C33177.8°179.7°
N27C28C29C30176.6°180.0°
N27C28C33C32174.7°179.8°
N27C28C29H293.4°0.0°
N27C28C33H335.3°0.1°
C28C29C30H29180.0°180.0°
C28C29C30C310.2°0.0°
C29C28C33C323.3°0.5°
C29C28N27HN27160.4°35.7°
C28C29C30H30179.8°180.0°
C29C28C33H33176.8°179.8°
C33C28C29C301.2°0.2°
C28C33C32C314.6°0.5°
C28C33C32H33180.0°179.7°
C33C28N27HN2717.5°144.0°
C33C28C29H29178.8°179.8°
C28C33C32H32175.4°179.7°
C29C30C31H30180.0°180.0°
C29C30C31C321.4°0.0°
C29C30C31H31178.6°180.0°
C30C31C32H31180.0°180.0°
C30C31C32C333.6°0.2°
C31C30C29H29179.8°180.0°
C30C31C32H32176.4°180.0°
C31C32C33H32180.0°179.8°
C32C31C30H30178.5°180.0°
C31C32C33H33175.5°179.8°
C33C32C31H31176.4°179.8°
N34C35N36C370.1°0.1°
N34C35N36C38179.0°179.6°
C35N36C37C38179.1°179.7°
C35N36C38O39179.3°179.7°
C35N36C37H37180.0°90.0°
C35N36C37H37A60.0°150.0°
C35N36C37H37B60.0°30.0°
C37N36C38O390.2°0.0°
N36C37H37H37A120.0°120.0°
N36C37H37H37B120.0°120.0°
N36C37H37AH37B120.0°120.0°
C38N36C37H370.9°89.7°
C38N36C37H37A120.9°30.3°
C38N36C37H37B119.1°150.2°
H1C1H1AH1B120.0°120.0°
H3C3C4H43.7°0.1°
H10C10C11H111.1°0.0°
H11C11C12H121.3°0.0°
H29C29C30H300.2°0.0°
H30C30C31H311.4°0.0°
H31C31C32H323.6°0.0°
H32C32C33H334.5°0.0°
H37C37H37AH37B120.0°120.0°

227111

PDB entries from 2024-11-06

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