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A1EKL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C20doub1.38Å1.41ÅAromatic
C19C18sing1.39Å1.42ÅAromatic
C20C15sing1.40Å1.44ÅAromatic
C18C17doub1.38Å1.42ÅAromatic
C15S14sing1.76Å1.78Å
C15C16doub1.40Å1.38ÅAromatic
S14C13sing1.76Å1.77Å
C17C16sing1.40Å1.43ÅAromatic
C16C11sing1.47Å1.62Å
C21C13doub1.39Å1.40ÅAromatic
C21C22sing1.38Å1.41ÅAromatic
C13C12sing1.40Å1.39ÅAromatic
C22C23doub1.38Å1.41ÅAromatic
C12C11sing1.48Å1.62Å
C12C28doub1.40Å1.42ÅAromatic
C11C10doub1.34Å1.36Å
C23C28sing1.38Å1.41ÅAromatic
C23C24sing1.51Å1.55Å
C10C09sing1.51Å1.53Å
F25C24sing1.40Å1.37Å
F27C24sing1.40Å1.37Å
C24F26sing1.40Å1.35Å
C09C08sing1.53Å1.56Å
C08N07sing1.47Å1.29Å
N07C06sing1.47Å1.37Å
N07C29sing1.47Å1.36Å
C06C05sing1.53Å1.53Å
C29C30sing1.53Å1.54Å
C05N04sing1.47Å1.37Å
C30N04sing1.47Å1.37Å
N04C03sing1.47Å1.27Å
C03C02sing1.53Å1.56Å
C02O01sing1.43Å1.40Å
C10H1sing1.08Å1.08Å
C17H2sing1.08Å1.08Å
C20H3sing1.08Å1.08Å
C21H4sing1.08Å1.08Å
C22H5sing1.08Å1.08Å
C28H6sing1.08Å1.08Å
C02H7sing1.09Å1.10Å
C02H8sing1.09Å1.10Å
C03H9sing1.09Å1.10Å
C03H10sing1.09Å1.10Å
C05H11sing1.09Å1.10Å
C05H12sing1.09Å1.10Å
C06H13sing1.09Å1.10Å
C06H14sing1.09Å1.10Å
C08H15sing1.09Å1.10Å
C08H16sing1.09Å1.10Å
C09H17sing1.09Å1.10Å
C09H18sing1.09Å1.10Å
C18H19sing1.08Å1.08Å
C19H20sing1.08Å1.08Å
C29H21sing1.09Å1.10Å
C29H22sing1.09Å1.10Å
C30H23sing1.09Å1.10Å
C30H24sing1.09Å1.10Å
O01H27sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C20C19C18120.8°120.3°
C19C20C15117.2°120.4°
C19C20H3121.4°119.8°
C20C19H20119.6°119.9°
C19C18C17121.3°120.1°
C19C18H19119.4°120.0°
C18C19H20119.6°119.9°
C20C15S14116.3°118.9°
C20C15C16122.4°119.3°
C15C20H3121.4°119.8°
C18C17C16117.9°120.2°
C18C17H2121.0°119.9°
C17C18H19119.4°119.9°
S14C15C16121.3°121.7°
C15S14C13104.5°104.8°
C15C16C17120.4°119.7°
C15C16C11119.9°121.4°
S14C13C21114.6°118.9°
S14C13C12122.5°121.7°
C17C16C11119.7°118.9°
C16C17H2121.1°119.9°
C16C11C12114.4°121.9°
C16C11C10119.1°119.0°
C13C21C22117.9°120.4°
C21C13C12122.8°119.4°
C13C21H4121.1°119.8°
C21C22C23120.2°120.3°
C22C21H4121.1°119.8°
C21C22H5119.9°119.8°
C13C12C11118.8°121.4°
C13C12C28119.4°119.7°
C22C23C28121.1°120.1°
C22C23C24119.3°119.9°
C23C22H5119.8°119.9°
C11C12C28121.8°118.9°
C12C11C10126.4°119.1°
C12C28C23118.6°120.2°
C12C28H6120.7°120.0°
C11C10C09126.0°120.0°
C11C10H1117.0°120.0°
C28C23C24119.7°120.0°
C23C28H6120.7°119.9°
C23C24F25109.5°109.5°
C23C24F27109.4°109.5°
C23C24F26109.2°109.5°
C10C09C08108.1°109.5°
C09C10H1117.0°120.0°
C10C09H17109.9°109.4°
C10C09H18109.8°109.4°
F25C24F27109.5°109.5°
F25C24F26109.6°109.5°
F27C24F26109.7°109.4°
C09C08N07115.1°109.4°
C09C08H15108.1°109.5°
C09C08H16108.0°109.5°
C08C09H17109.8°109.5°
C08C09H18109.8°109.5°
C08N07C06115.4°111.0°
C08N07C29112.2°111.0°
N07C08H15108.0°109.5°
N07C08H16108.1°109.4°
C06N07C29113.5°110.9°
N07C06C05110.4°109.4°
N07C06H13109.2°109.5°
N07C06H14109.3°109.5°
N07C29C30111.5°109.3°
N07C29H21109.0°109.5°
N07C29H22109.0°109.5°
C06C05N04112.8°109.3°
C06C05H11108.6°109.5°
C06C05H12108.6°109.6°
C05C06H13109.2°109.5°
C05C06H14109.2°109.5°
C29C30N04113.6°109.4°
C30C29H21109.0°109.5°
C30C29H22109.0°109.5°
C29C30H23108.4°109.5°
C29C30H24108.4°109.5°
C05N04C30115.1°110.9°
C05N04C03111.5°111.0°
N04C05H11108.6°109.5°
N04C05H12108.6°109.5°
C30N04C03111.1°111.0°
N04C30H23108.4°109.5°
N04C30H24108.4°109.5°
N04C03C02109.9°109.5°
N04C03H9109.4°109.5°
N04C03H10109.4°109.5°
C03C02O01108.2°109.5°
C03C02H7109.8°109.4°
C03C02H8109.8°109.5°
C02C03H9109.4°109.5°
C02C03H10109.4°109.5°
O01C02H7109.8°109.5°
O01C02H8109.8°109.5°
C02O01H27109.5°114.0°
H7C02H8109.5°109.5°
H9C03H10109.5°109.4°
H11C05H12109.5°109.5°
H13C06H14109.5°109.5°
H15C08H16109.5°109.5°
H17C09H18109.5°109.5°
H21C29H22109.5°109.5°
H23C30H24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C20C19C18H20180.0°180.0°
C19C20C15H3180.0°180.0°
C20C19C18C170.1°0.0°
C19C20C15S14179.9°180.0°
C19C20C15C160.7°0.1°
C20C19C18H19179.9°179.9°
C18C19C20C150.3°0.0°
C19C18C17H19180.0°180.0°
C19C18C17C160.0°0.0°
C19C18C17H2180.0°180.0°
C18C19C20H3179.7°180.0°
C20C15S14C16179.2°180.0°
C20C15S14C13149.0°161.0°
C20C15C16C170.8°0.1°
C20C15C16C11180.0°179.6°
C15C20C19H20179.7°180.0°
C18C17C16C150.4°0.1°
C18C17C16H2180.0°180.0°
C18C17C16C11179.6°179.6°
C17C18C19H20179.9°180.0°
S14C15C16C17179.9°179.9°
S14C15C16C110.9°0.4°
C15S14C13C21148.4°161.2°
C15S14C13C1230.8°19.1°
S14C15C20H30.1°0.1°
C16C15S14C1330.2°19.0°
C15C16C17C11179.3°179.7°
C15C16C11C1236.2°23.1°
C15C16C11C10141.3°156.6°
C15C16C17H2179.6°179.9°
C16C15C20H3179.3°179.9°
S14C13C21C12179.2°179.7°
S14C13C21C22179.5°179.5°
S14C13C12C110.1°0.6°
S14C13C12C28178.7°179.5°
S14C13C21H40.5°0.4°
C17C16C11C12144.5°156.6°
C17C16C11C1038.0°23.7°
C16C17C18H19180.0°180.0°
C16C11C12C1335.5°23.0°
C16C11C12C10177.3°179.7°
C16C11C12C28143.1°156.9°
C16C11C10C09179.1°161.6°
C16C11C10H10.9°18.1°
C11C16C17H20.4°0.4°
C13C21C22H4180.0°180.0°
C13C21C22C230.5°0.1°
C21C13C12C11179.1°179.7°
C21C13C12C280.5°0.2°
C13C21C22H5179.5°180.0°
C22C21C13C120.2°0.2°
C21C22C23H5180.0°180.0°
C21C22C23C280.0°0.1°
C21C22C23C24179.9°179.9°
C13C12C11C28178.6°179.9°
C13C12C11C10141.7°156.7°
C13C12C28C230.9°0.1°
C12C13C21H4179.7°179.8°
C13C12C28H6179.1°179.8°
C22C23C28C120.7°0.0°
C22C23C28C24179.9°180.0°
C22C23C24F25102.1°114.9°
C22C23C24F2717.9°125.1°
C22C23C24F26138.0°5.1°
C23C22C21H4179.5°180.0°
C22C23C28H6179.3°180.0°
C11C12C28C23179.5°179.8°
C12C11C10C091.9°18.1°
C12C11C10H1178.1°162.2°
C11C12C28H60.4°0.3°
C28C12C11C1039.6°23.4°
C12C28C23H6180.0°179.9°
C12C28C23C24179.2°180.0°
C11C10C09H1180.0°179.7°
C11C10C09C08112.0°128.0°
C11C10C09H17128.2°8.0°
C11C10C09H187.8°112.0°
C28C23C24F2577.9°65.1°
C28C23C24F27162.1°54.9°
C28C23C24F2642.0°174.9°
C28C23C22H5180.0°179.9°
C23C24F25F27119.9°120.0°
C23C24F25F26119.7°120.1°
C23C24F27F26119.8°120.0°
C24C23C22H50.1°0.1°
C24C23C28H60.8°0.0°
C10C09C08H17119.8°120.0°
C10C09C08H18119.8°119.9°
C10C09C08N07162.6°175.5°
C10C09C08H1541.8°55.4°
C10C09C08H1676.5°64.6°
C10C09H17H18120.7°119.9°
F25C24F27F26120.3°120.0°
C09C08N07H15120.8°120.0°
C09C08N07H16120.8°119.9°
C09C08N07C0622.4°163.9°
C09C08N07C29109.7°72.4°
C08C09C10H168.0°51.7°
C09C08H15H16117.4°120.0°
C08C09H17H18120.6°120.1°
C08N07C06C29131.5°123.8°
C08N07C06C05171.8°176.8°
C08N07C29C30172.5°176.8°
C08N07C06H1368.1°56.9°
C08N07C06H1451.6°63.2°
N07C08H15H16117.4°120.0°
N07C08C09H1777.5°64.5°
N07C08C09H1842.9°55.5°
C08N07C29H2152.2°63.2°
C08N07C29H2267.2°56.9°
N07C06C05H13120.1°119.9°
N07C06C05H14120.1°120.0°
C06N07C29C3054.5°59.4°
N07C06C05N0452.0°58.4°
N07C06C05H11172.4°178.4°
N07C06C05H1268.5°61.5°
N07C06H13H14119.6°120.1°
C06N07C08H1598.4°76.1°
C06N07C08H16143.2°43.9°
C06N07C29H21174.8°60.6°
C06N07C29H2265.8°179.3°
C29N07C06C0556.7°59.4°
N07C29C30H21120.3°120.0°
N07C29C30H22120.3°120.0°
N07C29C30N0447.3°58.4°
C29N07C06H1363.4°179.3°
C29N07C06H14176.8°60.6°
C29N07C08H15129.5°47.6°
C29N07C08H1611.1°167.7°
N07C29H21H22119.1°120.0°
N07C29C30H2373.3°61.6°
N07C29C30H24167.9°178.4°
C06C05N04H11120.5°120.0°
C06C05N04H12120.5°120.0°
C06C05N04C3047.3°59.4°
C06C05N04C0380.5°64.6°
C06C05H11H12118.5°120.1°
C05C06H13H14119.6°120.0°
C29C30N04C0544.9°59.4°
C29C30N04H23120.6°120.0°
C29C30N04H24120.6°119.9°
C29C30N04C0383.1°64.5°
C30C29H21H22119.1°120.1°
C29C30H23H24118.1°120.0°
C05N04C30C03128.0°123.9°
C05N04C03C0265.8°75.7°
C05N04C03H9174.1°44.4°
C05N04C03H1054.2°164.3°
N04C05H11H12118.5°120.0°
N04C05C06H1368.2°178.4°
N04C05C06H14172.1°61.6°
C05N04C30H2375.7°60.6°
C05N04C30H24165.5°179.3°
C30N04C03C02164.3°160.5°
C30N04C03H944.2°79.5°
C30N04C03H1075.7°40.5°
C30N04C05H11167.8°179.3°
C30N04C05H1273.2°60.7°
N04C30C29H21167.6°61.5°
N04C30C29H2273.0°178.4°
N04C30H23H24118.1°120.1°
N04C03C02H9120.0°120.0°
N04C03C02H10120.1°120.1°
N04C03C02O01120.0°63.8°
N04C03C02H7120.2°176.2°
N04C03C02H80.2°56.2°
N04C03H9H10119.8°120.0°
C03N04C05H1140.0°55.4°
C03N04C05H12159.0°175.4°
C03N04C30H23156.3°175.5°
C03N04C30H2437.5°55.4°
C03C02O01H7119.8°120.0°
C03C02O01H8119.8°120.0°
C03C02H7H8120.6°120.0°
C02C03H9H10119.8°120.0°
C03C02O01H27180.0°180.0°
O01C02H7H8120.6°120.0°
O01C02C03H90.0°176.2°
O01C02C03H10119.9°56.2°
H1C10C09H1751.8°171.7°
H1C10C09H18172.3°68.3°
H2C17C18H190.0°0.0°
H3C20C19H200.3°0.0°
H4C21C22H50.5°0.0°
H7C02C03H9119.8°56.2°
H7C02C03H100.1°63.8°
H7C02O01H2760.2°60.0°
H8C02C03H9119.8°63.8°
H8C02C03H10120.3°176.3°
H8C02O01H2760.2°60.0°
H11C05C06H1352.3°61.7°
H11C05C06H1467.4°58.4°
H12C05C06H13171.3°58.4°
H12C05C06H1451.6°178.4°
H15C08C09H17161.7°175.4°
H15C08C09H1877.9°64.5°
H16C08C09H1743.3°55.4°
H16C08C09H18163.7°175.5°
H19C18C19H200.1°0.1°
H21C29C30H2347.0°178.5°
H21C29C30H2471.8°58.4°
H22C29C30H23166.4°58.4°
H22C29C30H2447.6°61.7°

250059

PDB entries from 2026-03-04

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