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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16C14sing1.53Å1.51Å
C16C15sing1.53Å1.51Å
C14C13sing1.53Å1.48Å
C14C15sing1.53Å1.51Å
C13C12sing1.53Å1.51Å
C18C19doub1.39Å1.40ÅAromatic
C18C17sing1.38Å1.39ÅAromatic
C19C20sing1.40Å1.39ÅAromatic
C12C17sing1.51Å1.50Å
C12N10sing1.47Å1.45Å
C17N22doub1.32Å1.34ÅAromatic
F26C25sing1.35Å1.34Å
C33N34doub1.31Å1.31ÅAromatic
C33N32sing1.35Å1.36ÅAromatic
C20C24sing1.48Å1.46Å
C20C21doub1.39Å1.39ÅAromatic
N9N10sing1.40Å1.35ÅAromatic
N9C8doub1.31Å1.34ÅAromatic
C25C24doub1.39Å1.39ÅAromatic
C25C27sing1.38Å1.39ÅAromatic
CL28C27sing1.74Å1.73Å
N10C11sing1.35Å1.37ÅAromatic
C24C31sing1.40Å1.40ÅAromatic
N34N35sing1.28Å1.38ÅAromatic
C27C29doub1.38Å1.39ÅAromatic
C31N32sing1.40Å1.39Å
C31C30doub1.39Å1.40ÅAromatic
N22C21sing1.32Å1.35ÅAromatic
N22O23sing1.42Å1.26Å
N32N36sing1.41Å1.34ÅAromatic
C29C30sing1.38Å1.40ÅAromatic
C8C7sing1.41Å1.41ÅAromatic
N35N36doub1.29Å1.33ÅAromatic
C11C7doub1.37Å1.38ÅAromatic
C7C6sing1.48Å1.46Å
C6C2doub1.35Å1.38ÅAromatic
C6S5sing1.76Å1.72ÅAromatic
C1C2sing1.51Å1.47Å
C2N3sing1.32Å1.38ÅAromatic
S5C4sing1.71Å1.72ÅAromatic
N3C4doub1.29Å1.32ÅAromatic
C4H1sing1.08Å1.08Å
C8H2sing1.08Å1.08Å
C13H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C15H6sing1.09Å1.10Å
C21H7sing1.08Å1.08Å
C1H8sing1.09Å1.10Å
C1H9sing1.09Å1.10Å
C1H10sing1.09Å1.10Å
C11H11sing1.08Å1.08Å
C12H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C18H16sing1.08Å1.08Å
C19H17sing1.08Å1.08Å
C29H18sing1.08Å1.08Å
C30H19sing1.08Å1.08Å
C33H20sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C14C16C1560.0°60.0°
C16C14C13118.0°117.5°
C16C14C1560.0°60.0°
C16C14H13115.9°117.6°
C14C16H14120.0°117.5°
C14C16H15120.0°117.5°
C16C15C1460.0°60.0°
C16C15H5120.0°117.5°
C16C15H6120.0°117.5°
C15C16H14120.0°117.5°
C15C16H15120.0°117.5°
C13C14C15119.1°117.5°
C14C13C12110.7°109.5°
C14C13H3109.2°109.5°
C14C13H4109.2°109.4°
C13C14H13116.2°115.5°
C14C15H5120.0°117.5°
C14C15H6120.0°117.4°
C15C14H13115.9°117.5°
C13C12C17112.0°109.5°
C13C12N10110.4°109.5°
C12C13H3109.2°109.5°
C12C13H4109.2°109.5°
C13C12H12106.2°109.5°
C19C18C17118.9°119.3°
C18C19C20120.5°118.3°
C19C18H16120.5°120.3°
C18C19H17119.8°120.8°
C18C17C12124.4°119.5°
C18C17N22119.9°121.0°
C17C18H16120.6°120.4°
C19C20C24122.8°120.5°
C19C20C21117.6°119.0°
C20C19H17119.7°120.9°
C17C12N10114.4°109.4°
C12C17N22115.7°119.5°
C17C12H12106.4°109.5°
C12N10N9120.0°125.9°
C12N10C11125.5°125.9°
N10C12H12106.9°109.4°
C17N22C21121.7°121.9°
C17N22O23118.6°119.1°
F26C25C24118.7°120.1°
F26C25C27119.6°120.1°
N34C33N32108.6°107.3°
C33N34N35105.5°110.6°
N34C33H20125.7°126.3°
C33N32C31127.1°127.4°
C33N32N36109.8°105.2°
N32C33H20125.7°126.4°
C24C20C21119.6°120.5°
C20C24C25117.8°120.2°
C20C24C31123.8°120.2°
C20C21N22121.5°120.5°
C20C21H7119.3°119.7°
N10N9C8103.1°108.6°
N9N10C11114.5°108.2°
N9C8C7112.3°108.1°
N9C8H2123.8°126.0°
C24C25C27121.7°119.9°
C25C24C31118.4°119.6°
C25C27CL28120.0°119.9°
C25C27C29119.7°120.2°
CL28C27C29120.3°119.9°
N10C11C7104.9°107.6°
N10C11H11127.6°126.2°
C24C31N32121.3°120.1°
C24C31C30120.4°119.8°
N34N35N36111.3°110.2°
C27C29C30119.2°120.3°
C27C29H18120.4°119.8°
N32C31C30118.2°120.1°
C31N32N36123.1°127.4°
C31C30C29120.5°120.2°
C31C30H19119.8°119.9°
C21N22O23119.7°119.1°
N22C21H7119.3°119.7°
N32N36N35104.8°106.7°
C30C29H18120.4°119.9°
C29C30H19119.8°119.9°
C8C7C11105.2°107.5°
C8C7C6128.1°126.3°
C7C8H2123.8°125.9°
C11C7C6126.6°126.2°
C7C11H11127.6°126.2°
C7C6C2127.9°126.2°
C7C6S5121.7°126.1°
C2C6S5110.4°107.8°
C6C2C1127.2°122.8°
C6C2N3114.6°114.3°
C6S5C488.8°90.3°
C1C2N3118.2°122.9°
C2C1H8109.5°109.5°
C2C1H9109.4°109.4°
C2C1H10109.5°109.5°
C2N3C4109.9°117.2°
S5C4N3116.2°110.4°
S5C4H1121.9°124.8°
N3C4H1121.9°124.8°
H3C13H4109.5°109.5°
H5C15H6109.5°115.6°
H8C1H9109.5°109.5°
H8C1H10109.5°109.5°
H9C1H10109.5°109.5°
H14C16H15109.4°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C14C16C15H14109.5°107.5°
C14C16C15H15109.5°107.5°
C16C14C13C1569.3°68.6°
C16C14C13H13144.4°145.7°
C16C14C15H13106.2°107.6°
C16C14C13C12140.1°116.4°
C16C14C13H399.7°123.6°
C16C14C13H419.9°3.7°
C14C16C15H5109.5°107.5°
C14C16C15H6109.5°107.4°
C14C16H14H15144.7°145.8°
C16C15H5H6144.8°145.8°
C15C16H14H15144.8°145.6°
C13C14C15H13146.4°144.9°
C14C13C12H3120.2°120.0°
C14C13C12H4120.2°120.0°
C14C13C12C17174.4°175.0°
C14C13C12N1045.6°65.0°
C14C13H3H4119.4°119.9°
C13C14C15H52.1°145.0°
C13C14C15H6143.1°0.0°
C14C13C12H1269.9°55.0°
C13C14C16H140.3°145.0°
C13C14C16H15141.3°0.1°
C15C14C13C1270.8°175.0°
C15C14C13H3169.0°55.0°
C15C14C13H449.4°65.0°
C14C15H5H6144.7°145.6°
C13C12C17C1827.3°34.7°
C13C12C17N10126.6°120.0°
C13C12C17H12115.6°120.1°
C13C12N10H12115.1°120.0°
C13C12C17N22151.8°145.0°
C13C12N10N965.3°95.2°
C13C12N10C11114.5°85.0°
C12C13H3H4119.5°120.1°
C12C13C14H1375.5°29.4°
C19C18C17H16180.0°180.0°
C18C19C20H17180.0°179.9°
C19C18C17C12179.2°179.7°
C19C18C17N220.2°0.1°
C18C19C20C24178.3°179.7°
C18C19C20C210.2°0.2°
C17C18C19C200.3°0.1°
C18C17C12N22179.1°179.8°
C18C17C12N1099.3°85.2°
C18C17N22C210.0°0.2°
C18C17N22O23179.4°179.7°
C18C17C12H12142.9°154.8°
C17C18C19H17179.7°180.0°
C19C20C24C21178.5°179.5°
C19C20C24C25110.5°115.8°
C19C20C24C3169.5°64.4°
C19C20C21N220.0°0.5°
C19C20C21H7180.0°179.5°
C20C19C18H16179.7°180.0°
C17C12N10H12117.5°120.0°
C17C12N10N962.2°144.8°
C17C12N10C11118.1°35.0°
C12C17N22C21179.1°180.0°
C12C17N22O230.2°0.0°
C17C12C13H354.2°55.0°
C17C12C13H465.4°65.0°
C12C17C18H160.8°0.3°
N10C12C17N2281.6°95.0°
C12N10N9C11179.8°179.9°
C12N10N9C8179.3°179.9°
C12N10C11C7179.2°180.0°
N10C12C13H374.6°175.0°
N10C12C13H4165.8°55.0°
C12N10C11H110.8°0.0°
C17N22C21C200.1°0.5°
C17N22C21O23179.3°180.0°
C17N22C21H7179.9°179.4°
N22C17C12H1236.2°25.0°
N22C17C18H16179.8°180.0°
F26C25C24C200.4°0.1°
F26C25C24C27179.8°180.0°
F26C25C27CL280.2°0.1°
F26C25C24C31179.6°179.8°
F26C25C27C29179.6°179.9°
N34C33N32H20180.0°179.7°
N34C33N32C31178.7°180.0°
N34C33N32N360.2°0.0°
C33N34N35N360.2°0.0°
C33N32C31C24122.5°180.0°
N32C33N34N350.2°0.0°
C33N32C31N36178.8°180.0°
C33N32C31C3055.4°0.2°
C33N32N36N350.1°0.0°
C20C24C25C31179.9°179.7°
C20C24C25C27179.3°180.0°
C20C24C31N322.9°0.0°
C20C24C31C30179.3°179.8°
C24C20C21N22178.6°180.0°
C24C20C21H71.4°0.0°
C24C20C19H171.7°0.3°
C21C20C24C2568.0°64.7°
C21C20C24C31111.9°115.0°
C20C21N22H7180.0°180.0°
C20C21N22O23179.5°179.4°
C21C20C19H17179.8°179.7°
N10N9C8C70.3°0.2°
N9N10C11C70.5°0.2°
N10N9C8H2179.7°179.8°
N9N10C11H11179.5°179.8°
N9N10C12H12179.6°24.8°
C8N9N10C110.5°0.0°
N9C8C7H2180.0°180.0°
N9C8C7C110.0°0.3°
N9C8C7C6178.4°180.0°
C24C25C27CL28179.9°180.0°
C24C25C27C290.2°0.0°
C25C24C31N32177.2°179.7°
C25C24C31C300.6°0.5°
C25C27CL28C29179.8°180.0°
C27C25C24C310.6°0.3°
C25C27C29C300.9°0.0°
C25C27C29H18179.1°180.0°
CL28C27C29C30179.4°180.0°
CL28C27C29H180.7°0.0°
N10C11C7C80.3°0.3°
N10C11C7H11180.0°180.0°
N10C11C7C6178.7°180.0°
C11N10C12H120.6°155.0°
C24C31N32C30177.9°179.8°
C24C31N32N3656.3°0.1°
C24C31C30C290.1°0.5°
C24C31C30H19179.9°179.7°
N34N35N36N320.0°0.0°
N35N34C33H20179.8°179.7°
C27C29C30C310.8°0.2°
C27C29C30H18180.0°180.0°
C27C29C30H19179.2°180.0°
N32C31C30C29178.0°179.7°
C31N32N36N35178.9°180.0°
N32C31C30H192.0°0.1°
C31N32C33H201.3°0.3°
C30C31N32N36125.8°179.7°
C31C30C29H19180.0°179.8°
C31C30C29H18179.1°179.8°
O23N22C21H70.6°0.6°
N36N32C33H20179.8°179.7°
C8C7C11C6178.4°179.7°
C8C7C6C2158.7°46.6°
C8C7C6S521.7°133.3°
C8C7C11H11179.7°179.7°
C11C7C6C223.3°133.0°
C11C7C6S5156.3°47.0°
C11C7C8H2180.0°179.7°
C7C6C2S5179.7°180.0°
C7C6C2C10.3°0.0°
C7C6C2N3179.4°179.9°
C7C6S5C4179.3°179.9°
C6C7C8H21.6°0.0°
C6C7C11H111.3°0.1°
C6C2C1N3179.7°179.9°
C2C6S5C40.4°0.0°
C6C2N3C40.1°0.0°
C6C2C1H8179.7°84.7°
C6C2C1H959.7°155.3°
C6C2C1H1060.3°35.3°
S5C6C2C1180.0°180.0°
S5C6C2N30.3°0.0°
C6S5C4N30.4°0.0°
C6S5C4H1179.6°180.0°
C1C2N3C4179.7°180.0°
C2C1H8H9120.0°120.0°
C2C1H8H10120.0°120.0°
C2C1H9H10120.0°120.0°
C2N3C4S50.4°0.0°
C2N3C4H1179.6°179.9°
N3C2C1H80.0°95.2°
N3C2C1H9120.0°24.8°
N3C2C1H10120.0°144.7°
S5C4N3H1180.0°180.0°
H3C13C12H12169.9°65.0°
H3C13C14H1344.7°90.6°
H4C13C12H1250.3°174.9°
H4C13C14H13164.3°149.4°
H5C15C14H13144.3°0.1°
H5C15C16H140.0°0.1°
H5C15C16H15141.1°145.0°
H6C15C14H133.3°144.9°
H6C15C16H14141.1°145.1°
H6C15C16H150.0°0.1°
H8C1H9H10120.0°120.0°
H13C14C16H14144.2°0.0°
H13C14C16H153.2°145.1°
H16C18C19H170.3°0.0°
H18C29C30H190.8°0.0°

227344

PDB entries from 2024-11-13

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