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RNJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C22C21sing1.53Å1.52Å
C21C20sing1.53Å1.52Å
C21C23sing1.50Å1.53Å
C20C19sing1.52Å1.52Å
C23C24doub1.33Å1.53Å
C19S25sing1.75Å1.68ÅAromatic
C19C18doub1.35Å1.44ÅAromatic
S25C16sing1.76Å1.67ÅAromatic
C24C18sing1.49Å1.53Å
C18C17sing1.46Å1.52ÅAromatic
C16C17doub1.39Å1.39ÅAromatic
C16N15sing1.34Å1.34ÅAromatic
C17C02sing1.42Å1.41ÅAromatic
N15C04doub1.32Å1.32ÅAromatic
C02N01sing1.38Å1.43Å
C02N03doub1.32Å1.31ÅAromatic
C04N03sing1.33Å1.33ÅAromatic
C04S05sing1.76Å1.79Å
S05C06sing1.81Å1.82Å
C06C07sing1.53Å1.52Å
C07C08sing1.53Å1.54Å
C08N09sing1.47Å1.22Å
N09C14sing1.47Å1.45Å
N09C10sing1.47Å1.45Å
C14C13sing1.53Å1.55Å
C10C11sing1.53Å1.53Å
C13C12sing1.53Å1.45Å
C11C12sing1.53Å1.44Å
C11H1sing1.09Å1.10Å
C11H2sing1.09Å1.10Å
C12H3sing1.09Å1.10Å
C12H4sing1.09Å1.10Å
C13H5sing1.09Å1.10Å
C13H6sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C14H8sing1.09Å1.10Å
N01H9sing0.97Å1.00Å
N01H10sing0.97Å1.00Å
C06H11sing1.09Å1.10Å
C06H12sing1.09Å1.10Å
C07H13sing1.09Å1.10Å
C07H14sing1.09Å1.10Å
C08H15sing1.09Å1.10Å
C08H16sing1.09Å1.10Å
C10H18sing1.09Å1.10Å
C10H19sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H21sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
C22H24sing1.09Å1.10Å
C22H25sing1.09Å1.10Å
C23H26sing1.08Å1.08Å
C24H27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C22C21C20107.0°109.0°
C22C21C23106.3°109.0°
C22C21H22109.2°108.9°
C21C22H23109.5°109.5°
C21C22H24109.5°109.4°
C21C22H25109.5°109.5°
C20C21C23115.8°111.9°
C21C20C19111.6°108.7°
C21C20H20109.0°109.6°
C21C20H21108.9°109.7°
C20C21H22109.2°109.0°
C21C23C24118.3°122.5°
C23C21H22109.2°109.0°
C21C23H26120.8°118.8°
C20C19S25127.9°126.9°
C20C19C18122.7°121.9°
C19C20H20108.9°109.7°
C19C20H21108.9°109.6°
C23C24C18115.1°117.6°
C24C23H26120.8°118.7°
C23C24H27122.5°121.2°
S25C19C18109.4°111.2°
C19S25C1699.2°92.6°
C19C18C24121.6°119.9°
C19C18C17108.7°113.7°
S25C16C17108.6°110.0°
S25C16N15131.5°130.8°
C24C18C17129.6°126.3°
C18C24H27122.5°121.2°
C18C17C16114.0°112.4°
C18C17C02127.6°129.9°
C17C16N15120.0°119.2°
C16C17C02118.4°117.6°
C16N15C04119.2°121.1°
C17C02N01123.5°120.4°
C17C02N03118.2°119.2°
N15C04N03122.5°121.8°
N15C04S05118.5°119.1°
N01C02N03118.3°120.4°
C02N01H9109.5°120.0°
C02N01H10109.5°120.0°
C02N03C04121.8°121.1°
N03C04S05118.9°119.1°
C04S05C06113.5°100.0°
S05C06C07114.9°109.4°
S05C06H11108.1°109.5°
S05C06H12108.1°109.4°
C06C07C08108.0°109.4°
C07C06H11108.1°109.5°
C07C06H12108.1°109.5°
C06C07H13109.9°109.5°
C06C07H14109.8°109.5°
C07C08N09115.1°109.5°
C08C07H13109.8°109.4°
C08C07H14109.9°109.5°
C07C08H15108.1°109.4°
C07C08H16108.0°109.5°
C08N09C14109.7°111.0°
C08N09C10107.7°111.0°
N09C08H15108.0°109.5°
N09C08H16108.0°109.5°
C14N09C10114.6°111.2°
N09C14C13115.0°109.5°
N09C14H7108.1°109.4°
N09C14H8108.1°109.5°
N09C10C11115.7°109.5°
N09C10H18107.9°109.5°
N09C10H19107.9°109.5°
C14C13C12114.6°109.3°
C14C13H5108.2°109.5°
C14C13H6108.2°109.6°
C13C14H7108.1°109.4°
C13C14H8108.1°109.5°
C10C11C12110.9°109.3°
C10C11H1109.1°109.5°
C10C11H2109.1°109.5°
C11C10H18107.9°109.4°
C11C10H19107.9°109.5°
C13C12C11111.8°109.2°
C13C12H3108.9°109.5°
C13C12H4108.9°109.6°
C12C13H5108.2°109.5°
C12C13H6108.2°109.5°
C12C11H1109.1°109.5°
C12C11H2109.1°109.5°
C11C12H3108.9°109.5°
C11C12H4108.9°109.5°
H1C11H2109.4°109.5°
H3C12H4109.5°109.5°
H5C13H6109.5°109.5°
H7C14H8109.5°109.4°
H9N01H10109.4°120.0°
H11C06H12109.5°109.5°
H13C07H14109.5°109.5°
H15C08H16109.5°109.5°
H18C10H19109.5°109.5°
H20C20H21109.4°109.6°
H23C22H24109.5°109.5°
H23C22H25109.4°109.5°
H24C22H25109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C22C21C20C23118.2°120.6°
C22C21C20H22118.1°118.7°
C22C21C23H22117.7°118.7°
C22C21C20C19162.4°166.9°
C22C21C23C24159.2°154.9°
C22C21C20H2077.3°47.1°
C22C21C20H2142.0°73.3°
C21C22H23H24120.0°120.0°
C21C22H23H25120.0°120.0°
C21C22H24H25120.0°120.0°
C22C21C23H2620.8°24.6°
C20C21C23H22123.7°120.7°
C21C20C19H20120.3°119.7°
C21C20C19H21120.3°119.9°
C20C21C23C2440.6°34.3°
C21C20C19S25153.9°149.0°
C21C20C19C1825.3°32.0°
C21C20H20H21119.0°120.4°
C20C21C22H23180.0°60.0°
C20C21C22H2460.0°180.0°
C20C21C22H2560.0°60.0°
C20C21C23H26139.4°145.2°
C23C21C20C1944.1°46.3°
C21C23C24H26180.0°179.5°
C21C23C24C1814.5°1.5°
C23C21C20H20164.5°73.5°
C23C21C20H2176.2°166.1°
C23C21C22H2355.8°177.7°
C23C21C22H2464.2°57.6°
C23C21C22H25175.7°62.3°
C21C23C24H27165.4°177.8°
C20C19S25C18179.3°179.2°
C20C19S25C16179.9°178.9°
C20C19C18C240.6°0.3°
C20C19C18C17179.9°178.7°
C19C20H20H21119.0°120.4°
C19C20C21H2279.5°74.4°
C23C24C18C195.4°17.0°
C23C24C18H27180.0°179.2°
C23C24C18C17174.0°164.2°
C24C23C21H2283.1°86.4°
S25C19C18C24178.7°179.5°
S25C19C18C170.7°0.5°
C19S25C16C170.3°0.1°
C19S25C16N15179.1°179.9°
S25C19C20H2033.6°91.3°
S25C19C20H2185.8°29.1°
C18C19S25C160.7°0.2°
C19C18C24C17179.3°178.8°
C19C18C17C160.5°0.7°
C19C18C17C02179.4°179.3°
C18C19C20H20145.6°87.8°
C18C19C20H2195.1°151.8°
C19C18C24H27174.7°163.8°
S25C16C17C180.1°0.5°
S25C16C17N15179.5°179.8°
S25C16C17C02179.9°179.5°
S25C16N15C04179.8°179.5°
C24C18C17C16178.9°179.5°
C24C18C17C021.2°0.5°
C18C24C23H26165.5°178.0°
C18C17C16C02180.0°180.0°
C18C17C16N15179.6°179.8°
C18C17C02N010.3°0.1°
C18C17C02N03179.6°179.8°
C17C18C24H276.0°15.0°
C17C16N15C040.4°0.2°
C16C17C02N01179.7°179.9°
C16C17C02N030.4°0.2°
N15C16C17C020.4°0.2°
C16N15C04N030.5°0.2°
C16N15C04S05177.5°179.9°
C17C02N01N03179.9°179.9°
C17C02N03C040.4°0.1°
C17C02N01H9179.9°16.5°
C17C02N01H1059.9°163.4°
N15C04N03C020.5°0.1°
N15C04N03S05178.0°179.9°
N15C04S05C06119.4°180.0°
N01C02N03C04179.6°180.0°
C02N01H9H10120.0°179.9°
C02N03C04S05177.5°180.0°
N03C02N01H90.0°163.4°
N03C02N01H10120.0°16.7°
N03C04S05C0662.5°0.1°
C04S05C06C0771.0°180.0°
C04S05C06H11168.2°60.0°
C04S05C06H1249.7°60.0°
S05C06C07H11120.8°120.0°
S05C06C07H12120.8°119.9°
S05C06C07C08177.4°180.0°
S05C06H11H12117.5°119.9°
S05C06C07H1362.9°60.0°
S05C06C07H1457.6°60.0°
C06C07C08H13119.8°120.0°
C06C07C08H14119.7°120.0°
C06C07C08N0999.7°180.0°
C07C06H11H12117.5°120.1°
C06C07H13H14120.7°120.1°
C06C07C08H15139.5°60.0°
C06C07C08H1621.1°60.0°
C07C08N09H15120.8°119.9°
C07C08N09H16120.8°120.0°
C07C08N09C14117.5°170.1°
C07C08N09C10117.2°65.8°
C08C07C06H1156.6°60.1°
C08C07C06H1261.8°60.0°
C08C07H13H14120.7°119.9°
C07C08H15H16117.4°119.9°
C08N09C14C10121.2°124.1°
C08N09C14C13157.7°174.1°
C08N09C10C11164.7°174.2°
C08N09C14H736.9°54.2°
C08N09C14H881.6°65.8°
N09C08C07H1320.1°60.0°
N09C08C07H14140.6°60.0°
N09C08H15H16117.4°120.1°
C08N09C10H1874.4°65.8°
C08N09C10H1943.8°54.2°
N09C14C13H7120.8°120.0°
N09C14C13H8120.8°120.1°
C14N09C10C1142.4°61.7°
N09C14C13C1241.6°59.2°
N09C14C13H5162.3°60.7°
N09C14C13H679.1°179.2°
N09C14H7H8117.5°120.0°
C14N09C08H15121.7°70.0°
C14N09C08H163.4°50.1°
C14N09C10H18163.3°58.2°
C14N09C10H1978.5°178.2°
C10N09C14C1336.4°61.8°
N09C10C11H18120.9°120.0°
N09C10C11H19120.9°120.0°
N09C10C11C1252.2°59.2°
N09C10C11H168.0°179.1°
N09C10C11H2172.4°60.8°
C10N09C14H784.4°178.2°
C10N09C14H8157.2°58.3°
C10N09C08H153.6°54.2°
C10N09C08H16122.0°174.2°
N09C10H18H19117.2°120.0°
C14C13C12H5120.8°119.9°
C14C13C12H6120.7°120.0°
C14C13C12C1151.6°57.7°
C14C13C12H368.8°177.5°
C14C13C12H4171.9°62.3°
C14C13H5H6117.7°120.2°
C13C14H7H8117.5°119.9°
C10C11C12C1355.6°57.6°
C10C11C12H1120.2°120.0°
C10C11C12H2120.2°119.9°
C10C11H1H2119.4°120.1°
C10C11C12H364.8°177.5°
C10C11C12H4175.9°62.3°
C11C10H18H19117.2°120.0°
C13C12C11H3120.4°119.9°
C13C12C11H4120.3°120.0°
C13C12C11H164.6°177.6°
C13C12C11H2175.8°62.3°
C13C12H3H4118.9°120.2°
C12C13H5H6117.6°120.1°
C12C13C14H779.2°179.2°
C12C13C14H8162.4°60.9°
C12C11H1H2119.3°120.1°
C11C12H3H4118.9°120.1°
C11C12C13H5172.4°62.3°
C11C12C13H669.1°177.7°
C12C11C10H18173.1°60.8°
C12C11C10H1968.7°179.2°
H1C11C12H3175.0°62.5°
H1C11C12H455.7°57.6°
H1C11C10H1852.9°59.2°
H1C11C10H19171.1°60.8°
H2C11C12H355.5°57.6°
H2C11C12H463.8°177.7°
H2C11C10H1866.7°179.2°
H2C11C10H1951.5°59.2°
H3C12C13H552.0°57.6°
H3C12C13H6170.5°62.5°
H4C12C13H567.3°177.8°
H4C12C13H651.2°57.7°
H5C13C14H741.5°59.3°
H5C13C14H876.9°179.2°
H6C13C14H7160.0°60.8°
H6C13C14H841.6°59.1°
H11C06C07H13176.3°180.0°
H11C06C07H1463.2°59.9°
H12C06C07H1357.9°59.9°
H12C06C07H14178.4°180.0°
H13C07C08H15100.8°180.0°
H13C07C08H16140.9°60.0°
H14C07C08H1519.7°60.0°
H14C07C08H1698.6°180.0°
H20C20C21H2240.8°165.8°
H21C20C21H22160.2°45.4°
H22C21C22H2361.9°58.8°
H22C21C22H24178.1°61.2°
H22C21C22H2558.1°178.8°
H22C21C23H2696.9°94.2°
H23C22H24H25120.0°120.0°
H26C23C24H2714.6°2.7°

222624

PDB entries from 2024-07-17

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