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PRM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16C17doub1.39Å1.42ÅAromatic
C16C21sing1.37Å1.42ÅAromatic
C16H16sing1.08Å1.10Å
C17C18sing1.41Å1.47ÅAromatic
C17C25sing1.47Å1.43ÅAromatic
C18C19doub1.40Å1.45ÅAromatic
C18C22sing1.46Å1.45ÅAromatic
C19C20sing1.38Å1.42ÅAromatic
C19H19sing1.08Å1.10Å
C20C21doub1.40Å1.39ÅAromatic
C20N36sing1.40Å1.41Å
C21H21sing1.08Å1.10Å
C22N23doub1.31Å1.44ÅAromatic
C22C30sing1.48Å1.50ÅAromatic
N23C24sing1.34Å1.41ÅAromatic
N23C41sing1.46Å1.54Å
C24C25doub1.41Å1.48ÅAromatic
C24C26sing1.40Å1.44ÅAromatic
C25C29sing1.40Å1.42ÅAromatic
C26C27doub1.38Å1.41ÅAromatic
C26H26sing1.08Å1.10Å
C27C28sing1.40Å1.41ÅAromatic
C27N37sing1.40Å1.40Å
C28C29doub1.36Å1.43ÅAromatic
C28H28sing1.08Å1.10Å
C29H29sing1.08Å1.10Å
C30C31doub1.40Å1.44ÅAromatic
C30C35sing1.39Å1.41ÅAromatic
C31C32sing1.38Å1.43ÅAromatic
C31H31sing1.08Å1.10Å
C32C33doub1.38Å1.42ÅAromatic
C32H32sing1.08Å1.10Å
C33C34sing1.38Å1.42ÅAromatic
C33H33sing1.08Å1.10Å
C34C35doub1.38Å1.42ÅAromatic
C34H34sing1.08Å1.10Å
C35H35sing1.08Å1.10Å
N36H361sing0.97Å1.02Å
N36H362sing0.97Å1.02Å
N37H371sing0.97Å1.02Å
N37H372sing0.97Å1.02Å
C41C42sing1.53Å1.53Å
C41H411sing1.09Å1.12Å
C41H412sing1.09Å1.12Å
C42C43sing1.53Å1.53Å
C42H421sing1.09Å1.11Å
C42H422sing1.09Å1.12Å
C43N44sing1.47Å1.54Å
C43H431sing1.09Å1.11Å
C43H432sing1.09Å1.12Å
N44C44sing1.47Å1.53Å
N44C46sing1.47Å1.51Å
N44C47sing1.47Å1.52Å
C44C45sing1.53Å1.53Å
C44H441sing1.09Å1.12Å
C44H442sing1.09Å1.11Å
C45H451sing1.09Å1.11Å
C45H452sing1.09Å1.11Å
C45H453sing1.09Å1.11Å
C46H461sing1.09Å1.11Å
C46H462sing1.09Å1.11Å
C46H463sing1.09Å1.12Å
C47C48sing1.53Å1.53Å
C47H471sing1.09Å1.11Å
C47H472sing1.09Å1.12Å
C48H481sing1.09Å1.11Å
C48H482sing1.09Å1.11Å
C48H483sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C17C16C21125.4°119.8°
C17C16H16117.1°120.1°
C16C17C18116.2°120.0°
C16C17C25124.0°122.4°
C21C16H16117.5°120.1°
C16C21C20118.8°120.7°
C16C21H21121.7°119.6°
C18C17C25118.8°117.6°
C17C18C19117.0°119.5°
C17C18C22118.6°118.5°
C17C25C24119.4°118.7°
C17C25C29122.9°121.1°
C19C18C22124.3°122.0°
C18C19C20124.0°119.4°
C18C19H19118.9°120.3°
C18C22N23123.1°120.7°
C18C22C30118.9°119.7°
C20C19H19117.1°120.3°
C19C20C21118.5°120.6°
C19C20N36122.3°119.7°
C21C20N36119.2°119.7°
C20C21H21119.5°119.7°
C20N36H361107.6°120.0°
C20N36H362122.4°120.0°
N23C22C30118.0°119.6°
C22N23C24116.6°123.4°
C22N23C41123.1°118.3°
C22C30C31119.1°120.1°
C22C30C35121.2°120.2°
C24N23C41120.3°118.3°
N23C24C25122.8°121.1°
N23C24C26121.4°120.1°
N23C41C42118.7°109.5°
N23C41H411108.9°109.5°
N23C41H412108.9°109.5°
C25C24C26115.8°118.8°
C24C25C29117.4°120.2°
C24C26C27125.3°119.8°
C24C26H26118.5°120.0°
C25C29C28124.5°120.0°
C25C29H29117.4°120.0°
C27C26H26116.2°120.1°
C26C27C28118.6°120.7°
C26C27N37122.0°119.7°
C28C27N37119.4°119.7°
C27C28C29118.4°120.5°
C27C28H28120.0°119.7°
C27N37H371107.8°120.0°
C27N37H372121.9°120.0°
C29C28H28121.7°119.7°
C28C29H29118.1°120.0°
C31C30C35119.7°119.7°
C30C31C32119.9°119.9°
C30C31H31120.5°120.1°
C30C35C34119.9°119.9°
C30C35H35119.7°120.0°
C32C31H31119.6°120.1°
C31C32C33120.0°120.1°
C31C32H32120.4°120.0°
C33C32H32119.6°119.9°
C32C33C34119.8°120.3°
C32C33H33119.8°119.8°
C34C33H33120.4°119.9°
C33C34C35120.6°120.1°
C33C34H34119.7°120.0°
C35C34H34119.7°119.9°
C34C35H35120.4°120.0°
H361N36H362107.6°120.0°
H371N37H372107.8°120.0°
C42C41H411108.9°109.4°
C42C41H412108.9°109.5°
C41C42C43112.9°109.5°
C41C42H421111.0°109.5°
C41C42H422111.0°109.5°
H411C41H412101.1°109.5°
C43C42H421110.9°109.5°
C43C42H422111.0°109.5°
C42C43N44124.1°109.5°
C42C43H431107.0°109.5°
C42C43H432107.0°109.5°
H421C42H42299.4°109.5°
N44C43H431107.0°109.5°
N44C43H432107.0°109.5°
C43N44C44109.5°109.4°
C43N44C46111.1°109.5°
C43N44C47110.2°109.5°
H431C43H432102.7°109.5°
C44N44C46107.4°109.5°
C44N44C47108.9°109.5°
N44C44C45124.9°109.4°
N44C44H441106.7°109.5°
N44C44H442106.7°109.5°
C46N44C47109.7°109.5°
N44C46H461111.6°109.5°
N44C46H462111.1°109.5°
N44C46H463111.6°109.5°
N44C47C48125.9°109.5°
N44C47H471106.4°109.5°
N44C47H472106.4°109.4°
C45C44H441106.8°109.4°
C45C44H442106.8°109.5°
C44C45H451106.7°109.5°
C44C45H452124.9°109.4°
C44C45H453106.8°109.5°
H441C44H442102.8°109.5°
H451C45H452106.7°109.5°
H451C45H453102.9°109.5°
H452C45H453106.7°109.5°
H461C46H462111.6°109.4°
H461C46H46398.8°109.5°
H462C46H463111.6°109.5°
C48C47H471106.4°109.5°
C48C47H472106.5°109.5°
C47C48H481106.4°109.5°
C47C48H482125.8°109.5°
C47C48H483106.5°109.5°
H471C47H472103.1°109.5°
H481C48H482106.5°109.5°
H481C48H483103.1°109.5°
H482C48H483106.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C17C16C21H16180.0°179.9°
C16C17C18C25169.1°179.9°
C16C17C18C191.7°0.1°
C16C17C18C22178.6°179.8°
C17C16C21C200.4°0.1°
C17C16C21H21179.6°180.0°
C16C17C25C24172.6°179.9°
C16C17C25C291.9°0.0°
C21C16C17C181.4°0.1°
C21C16C17C25167.0°180.0°
C16C21C20C190.4°0.1°
C16C21C20H21180.0°179.9°
C16C21C20N36179.4°180.0°
H16C16C17C18178.6°180.0°
H16C16C17C2512.9°0.1°
H16C16C21C20179.7°180.0°
H16C16C21H210.4°0.1°
C17C18C19C22176.7°179.7°
C17C18C19C201.1°0.1°
C17C18C19H19178.9°180.0°
C17C18C22N237.6°0.5°
C17C18C22C30171.3°179.7°
C18C17C25C244.4°0.0°
C18C17C25C29170.1°180.0°
C25C17C18C19167.4°180.0°
C25C17C18C229.5°0.3°
C17C25C24N233.3°0.0°
C17C25C24C29174.8°180.0°
C17C25C24C26175.4°180.0°
C17C25C29C28174.9°180.0°
C17C25C29H295.1°0.0°
C18C19C20H19180.0°180.0°
C18C19C20C210.1°0.1°
C18C19C20N36179.8°180.0°
C19C18C22N23169.1°179.7°
C19C18C22C3012.0°0.0°
C22C18C19C20177.8°179.8°
C22C18C19H192.2°0.2°
C18C22N23C30178.9°179.8°
C18C22N23C240.1°0.5°
C18C22N23C41178.5°179.7°
C18C22C30C3193.7°59.7°
C18C22C30C3588.0°120.5°
C19C20C21N36179.8°180.0°
C19C20C21H21179.7°180.0°
C19C20N36H36154.7°180.0°
C19C20N36H362180.0°0.1°
H19C19C20C21179.9°180.0°
H19C19C20N360.2°0.0°
C21C20N36H361125.0°0.1°
C21C20N36H3620.3°180.0°
N36C20C21H210.6°0.1°
C20N36H361H362133.7°179.9°
C22N23C24C41178.5°179.7°
C22N23C24C255.4°0.3°
C22N23C24C26173.2°179.7°
N23C22C30C3185.3°120.5°
N23C22C30C3593.0°59.3°
C22N23C41C4290.8°94.4°
C22N23C41H411144.0°25.6°
C22N23C41H41234.5°145.6°
C30C22N23C24178.8°179.7°
C30C22N23C410.4°0.1°
C22C30C31C35178.3°179.8°
C22C30C31C32178.1°179.9°
C22C30C31H311.9°0.0°
C22C30C35C34178.1°179.6°
C22C30C35H352.0°0.3°
N23C24C25C26178.7°180.0°
N23C24C25C29178.1°180.0°
N23C24C26C27178.1°180.0°
N23C24C26H261.9°0.0°
C24N23C41C4290.9°85.4°
C24N23C41H41134.4°154.7°
C24N23C41H412143.8°34.7°
C41N23C24C25173.1°180.0°
C41N23C24C268.4°0.0°
N23C41C42H411125.3°120.0°
N23C41C42H412125.3°120.1°
N23C41H411H412114.6°120.1°
N23C41C42C43160.4°180.0°
N23C41C42H42135.1°60.0°
N23C41C42H42274.4°60.0°
C25C24C26C270.5°0.0°
C25C24C26H26179.4°180.0°
C24C25C29C280.3°0.0°
C24C25C29H29179.7°180.0°
C26C24C25C290.6°0.0°
C24C26C27H26180.0°179.9°
C24C26C27C280.1°0.0°
C24C26C27N37179.6°180.0°
C25C29C28C270.1°0.0°
C25C29C28H29180.0°180.0°
C25C29C28H28179.9°180.0°
C26C27C28N37179.5°180.0°
C26C27C28C290.2°0.0°
C26C27C28H28179.8°180.0°
C26C27N37H37154.7°0.1°
C26C27N37H372180.0°180.0°
H26C26C27C28179.9°180.0°
H26C26C27N370.4°0.0°
C27C28C29H28180.0°180.0°
C27C28C29H29179.9°180.0°
C28C27N37H371124.7°179.9°
C28C27N37H3720.5°0.0°
N37C27C28C29179.3°180.0°
N37C27C28H280.7°0.0°
C27N37H371H372133.3°179.9°
H28C28C29H290.1°0.0°
C30C31C32H31180.0°179.9°
C30C31C32C330.2°0.1°
C30C31C32H32179.8°180.0°
C31C30C35C340.3°0.6°
C31C30C35H35179.7°180.0°
C35C30C31C320.3°0.3°
C35C30C31H31179.7°179.8°
C30C35C34C330.1°0.7°
C30C35C34H35180.0°179.4°
C30C35C34H34179.9°179.7°
C31C32C33H32180.0°179.9°
C31C32C33C340.0°0.2°
C31C32C33H33180.0°180.0°
H31C31C32C33179.9°180.0°
H31C31C32H320.1°0.1°
C32C33C34H33180.0°179.8°
C32C33C34C350.1°0.4°
C32C33C34H34180.0°179.9°
H32C32C33C34180.0°179.9°
H32C32C33H330.0°0.1°
C33C34C35H34180.0°179.6°
C33C34C35H35179.9°180.0°
H33C33C34C35179.9°179.7°
H33C33C34H340.1°0.1°
H34C34C35H350.1°0.3°
C42C41H411H412114.6°120.0°
C41C42C43H421125.3°120.0°
C41C42C43H422125.3°120.0°
C41C42H421H422116.8°120.0°
C41C42C43N44148.7°180.0°
C41C42C43H43123.4°60.0°
C41C42C43H43286.1°60.0°
H411C41C42C4374.4°60.0°
H411C41C42H421160.4°180.0°
H411C41C42H42250.9°60.0°
H412C41C42C4335.1°59.9°
H412C41C42H42190.2°60.1°
H412C41C42H422160.4°179.9°
C43C42H421H422116.8°120.0°
C42C43N44H431125.2°120.0°
C42C43N44H432125.3°120.0°
C42C43H431H432112.5°120.0°
C42C43N44C4473.0°180.0°
C42C43N44C4645.5°60.0°
C42C43N44C47167.3°60.0°
H421C42C43N4486.0°60.0°
H421C42C43H431148.7°180.0°
H421C42C43H43239.2°60.0°
H422C42C43N4423.4°60.0°
H422C42C43H431101.8°60.0°
H422C42C43H432148.7°180.0°
N44C43H431H432112.5°120.0°
C43N44C44C46120.8°120.0°
C43N44C44C47120.5°120.0°
C43N44C46C47122.1°120.0°
C43N44C44C4544.4°180.0°
C43N44C44H44180.9°60.0°
C43N44C44H442169.7°60.0°
C43N44C46H46154.7°180.0°
C43N44C46H462180.0°60.0°
C43N44C46H46354.7°60.0°
C43N44C47C48169.9°60.0°
C43N44C47H47144.7°60.1°
C43N44C47H47264.8°180.0°
H431C43N44C44161.8°60.0°
H431C43N44C4679.7°180.0°
H431C43N44C4742.1°60.0°
H432C43N44C4452.3°60.0°
H432C43N44C46170.8°60.0°
H432C43N44C4767.4°180.0°
C44N44C46C47118.2°120.0°
N44C44C45H441125.3°120.0°
N44C44C45H442125.3°120.0°
N44C44H441H442112.1°120.0°
N44C44C45H45154.8°60.0°
N44C44C45H452180.0°60.0°
N44C44C45H45354.7°180.0°
C44N44C46H46165.0°60.0°
C44N44C46H46260.3°180.0°
C44N44C46H463174.4°60.0°
C44N44C47C4870.0°60.0°
C44N44C47H471164.7°180.0°
C44N44C47H47255.3°60.0°
C46N44C44C45165.2°60.0°
C46N44C44H44139.9°180.0°
C46N44C44H44269.6°60.0°
N44C46H461H462125.0°120.0°
N44C46H461H463117.5°120.0°
N44C46H462H463125.3°120.0°
C46N44C47C4847.3°180.0°
C46N44C47H47178.0°60.0°
C46N44C47H472172.5°60.0°
C47N44C44C4576.1°60.0°
C47N44C44H441158.6°59.9°
C47N44C44H44249.2°180.0°
C47N44C46H461176.8°60.0°
C47N44C46H46257.9°60.0°
C47N44C46H46367.4°180.0°
N44C47C48H471125.3°120.0°
N44C47C48H472125.3°120.0°
N44C47H471H472111.8°120.0°
N44C47C48H48154.7°180.0°
N44C47C48H482180.0°60.0°
N44C47C48H48354.7°60.0°
C45C44H441H442112.2°120.0°
C44C45H451H452135.6°120.0°
C44C45H451H453112.2°120.0°
C44C45H452H453125.3°120.0°
H441C44C45H451180.0°60.0°
H441C44C45H45254.7°180.0°
H441C44C45H45370.5°60.0°
H442C44C45H45170.5°180.0°
H442C44C45H45254.7°60.0°
H442C44C45H453180.0°60.0°
H451C45H452H453109.5°120.0°
H461C46H462H463109.4°120.0°
C48C47H471H472111.8°120.0°
C47C48H481H482136.4°120.0°
C47C48H481H483111.8°120.0°
C47C48H482H483125.2°120.0°
H471C47C48H481NaN°60.0°
H471C47C48H48254.7°180.0°
H471C47C48H48370.5°60.1°
H472C47C48H48170.5°60.0°
H472C47C48H48254.8°60.0°
H472C47C48H483180.0°180.0°
H481C48H482H483109.5°120.0°

222624

PDB entries from 2024-07-17

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