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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C16doub1.36Å1.36ÅAromatic
C15C14sing1.40Å1.42ÅAromatic
C16C17sing1.39Å1.39ÅAromatic
C13C14doub1.40Å1.41ÅAromatic
C13N3sing1.31Å1.32ÅAromatic
C14C19sing1.42Å1.42ÅAromatic
C17C18doub1.36Å1.36ÅAromatic
N3C12doub1.32Å1.34ÅAromatic
C19C18sing1.40Å1.42ÅAromatic
C19C11doub1.41Å1.43ÅAromatic
C12C11sing1.38Å1.39ÅAromatic
C11N2sing1.40Å1.41Å
N2C10sing1.35Å1.35Å
C10C9sing1.51Å1.52Å
C10Odoub1.21Å1.23Å
C9C8sing1.51Å1.51Å
C8C20doub1.38Å1.39ÅAromatic
C8C7sing1.38Å1.39ÅAromatic
C20C21sing1.38Å1.38ÅAromatic
C7C6doub1.39Å1.40ÅAromatic
C21CLsing1.74Å1.74Å
C21C22doub1.38Å1.38ÅAromatic
C6C22sing1.39Å1.40ÅAromatic
C6N1sing1.40Å1.42Å
C3N1sing1.47Å1.47Å
C3C2sing1.53Å1.53Å
N1C5sing1.47Å1.47Å
C5C4sing1.53Å1.53Å
C2Nsing1.47Å1.48Å
NC4sing1.47Å1.48Å
NSsing1.66Å1.64Å
O1Sdoub1.42Å1.43Å
SO2doub1.42Å1.43Å
SC1sing1.81Å1.78Å
CC1sing1.53Å1.51Å
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C7H5sing1.08Å1.08Å
C13H6sing1.08Å1.08Å
C15H7sing1.08Å1.08Å
C17H8sing1.08Å1.08Å
C20H9sing1.08Å1.08Å
C22H10sing1.08Å1.08Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
CH13sing1.09Å1.10Å
CH14sing1.09Å1.10Å
CH15sing1.09Å1.10Å
C3H16sing1.09Å1.10Å
C3H17sing1.09Å1.10Å
C2H18sing1.09Å1.10Å
C2H19sing1.09Å1.10Å
C9H20sing1.09Å1.10Å
C9H21sing1.09Å1.10Å
N2H22sing0.97Å1.00Å
C18H23sing1.08Å1.08Å
C16H24sing1.08Å1.08Å
C12H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C16C15C14120.7°119.5°
C15C16C17120.5°121.1°
C16C15H7119.7°120.3°
C15C16H24119.8°119.5°
C15C14C13123.2°122.0°
C15C14C19119.0°119.3°
C14C15H7119.7°120.2°
C16C17C18120.6°121.0°
C16C17H8119.7°119.5°
C17C16H24119.7°119.4°
C14C13N3124.3°120.2°
C13C14C19117.8°118.7°
C14C13H6117.9°119.9°
C13N3C12117.5°122.9°
N3C13H6117.9°119.9°
C14C19C18118.1°119.6°
C14C19C11118.0°118.2°
C17C18C19121.1°119.5°
C18C17H8119.7°119.5°
C17C18H23119.4°120.2°
N3C12C11125.1°121.6°
N3C12H25117.5°119.2°
C18C19C11123.9°122.2°
C19C18H23119.5°120.3°
C19C11C12117.3°118.5°
C19C11N2118.6°120.8°
C12C11N2123.3°120.8°
C11C12H25117.5°119.2°
C11N2C10126.9°120.0°
C11N2H22116.6°120.0°
N2C10C9115.1°120.0°
N2C10O123.3°120.0°
C10N2H22116.6°120.0°
C9C10O121.6°120.0°
C10C9C8110.7°109.5°
C10C9H20109.2°109.5°
C10C9H21109.1°109.5°
C9C8C20119.9°120.0°
C9C8C7120.3°119.9°
C8C9H20109.2°109.5°
C8C9H21109.2°109.4°
C20C8C7119.5°120.1°
C8C20C21119.6°120.1°
C8C20H9120.2°120.0°
C8C7C6120.8°119.9°
C8C7H5119.6°120.0°
C20C21CL118.7°120.0°
C20C21C22121.9°120.1°
C21C20H9120.2°119.9°
C7C6C22118.9°119.9°
C7C6N1120.6°120.1°
C6C7H5119.6°120.1°
CLC21C22119.0°120.0°
C21C22C6119.2°119.9°
C21C22H10120.4°120.0°
C22C6N1120.4°120.0°
C6C22H10120.4°120.1°
C6N1C3119.4°111.0°
C6N1C5117.9°111.0°
N1C3C2111.0°109.3°
C3N1C5112.8°111.3°
N1C3H16109.1°109.5°
N1C3H17109.1°109.5°
C3C2N109.0°108.6°
C2C3H16109.1°109.5°
C2C3H17109.1°109.5°
C3C2H18109.6°109.6°
C3C2H19109.6°109.7°
N1C5C4111.1°109.3°
N1C5H3109.0°109.5°
N1C5H4109.1°109.5°
C5C4N108.9°108.6°
C5C4H1109.6°109.7°
C5C4H2109.6°109.6°
C4C5H3109.1°109.5°
C4C5H4109.1°109.5°
C2NC4112.5°118.2°
C2NS118.7°120.9°
NC2H18109.6°109.6°
NC2H19109.6°109.6°
C4NS120.9°120.9°
NC4H1109.6°109.7°
NC4H2109.6°109.8°
NSO1107.0°104.3°
NSO2107.2°104.3°
NSC1105.6°104.5°
O1SO2118.8°121.0°
O1SC1108.2°110.5°
O2SC1109.3°110.6°
SC1C112.1°109.5°
SC1H11108.8°109.5°
SC1H12108.8°109.5°
CC1H11108.8°109.5°
CC1H12108.8°109.5°
C1CH13109.5°109.5°
C1CH14109.5°109.5°
C1CH15109.5°109.5°
H1C4H2109.5°109.6°
H3C5H4109.5°109.5°
H11C1H12109.5°109.4°
H13CH14109.5°109.4°
H13CH15109.5°109.5°
H14CH15109.4°109.4°
H16C3H17109.4°109.6°
H18C2H19109.5°109.7°
H20C9H21109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C16C15C14H7180.0°179.9°
C15C16C17H24180.0°179.9°
C16C15C14C13179.5°180.0°
C16C15C14C190.1°0.0°
C15C16C17C180.0°0.0°
C15C16C17H8180.0°180.0°
C14C15C16C170.0°0.0°
C15C14C13C19179.4°180.0°
C15C14C13N3179.6°179.9°
C15C14C19C180.2°0.0°
C15C14C19C11179.1°180.0°
C15C14C13H60.3°0.0°
C14C15C16H24180.0°180.0°
C16C17C18H8180.0°180.0°
C16C17C18C190.1°0.0°
C17C16C15H7180.0°180.0°
C16C17C18H23180.0°179.9°
C14C13N3H6180.0°179.9°
C14C13N3C120.6°0.1°
C13C14C19C18179.6°180.0°
C13C14C19C110.4°0.0°
C13C14C15H70.5°0.1°
N3C13C14C190.9°0.0°
C13N3C12C111.2°0.0°
C13N3C12H25178.8°180.0°
C14C19C18C170.2°0.0°
C14C19C18C11179.2°180.0°
C14C19C11C121.9°0.0°
C14C19C11N2168.7°180.0°
C19C14C13H6179.1°180.0°
C19C14C15H7179.9°180.0°
C14C19C18H23179.9°179.9°
C17C18C19H23180.0°179.9°
C17C18C19C11179.0°180.0°
C18C17C16H24180.0°180.0°
N3C12C11C192.4°0.0°
N3C12C11H25180.0°180.0°
N3C12C11N2167.6°180.0°
C12N3C13H6179.4°180.0°
C18C19C11C12178.9°180.0°
C18C19C11N210.5°0.1°
C19C18C17H8179.9°180.0°
C19C11C12N2170.1°180.0°
C19C11N2C1091.6°145.4°
C19C11N2H2288.4°34.6°
C11C19C18H230.9°0.1°
C19C11C12H25177.6°180.0°
C12C11N2C1078.4°34.6°
C12C11N2H22101.7°145.4°
C11N2C10H22180.0°180.0°
C11N2C10C9178.3°175.6°
C11N2C10O0.9°4.4°
N2C11C12H2512.4°0.1°
N2C10C9O179.2°180.0°
N2C10C9C8162.4°180.0°
N2C10C9H2077.4°60.0°
N2C10C9H2142.2°60.0°
C10C9C8H20120.2°120.0°
C10C9C8H21120.2°120.0°
C10C9C8C20103.6°89.9°
C10C9C8C770.3°89.9°
C10C9H20H21119.4°120.0°
C9C10N2H221.7°4.5°
OC10C9C818.4°0.0°
OC10C9H20101.8°120.0°
OC10C9H21138.6°120.0°
OC10N2H22179.2°175.6°
C9C8C20C7174.0°179.9°
C9C8C20C21171.9°180.0°
C9C8C7C6172.0°180.0°
C9C8C7H58.1°0.0°
C9C8C20H98.1°0.1°
C8C9H20H21119.4°119.9°
C8C20C21H9180.0°180.0°
C20C8C7C62.0°0.1°
C8C20C21CL170.6°180.0°
C8C20C21C222.3°0.0°
C20C8C7H5178.0°179.9°
C20C8C9H20136.2°150.0°
C20C8C9H2116.6°30.1°
C7C8C20C212.0°0.1°
C8C7C6H5180.0°180.0°
C8C7C6C222.2°0.0°
C8C7C6N1174.5°179.7°
C7C8C20H9177.9°180.0°
C7C8C9H2049.9°30.1°
C7C8C9H21169.5°150.0°
C20C21CLC22173.2°180.0°
C20C21C22C62.5°0.0°
C20C21C22H10177.5°179.7°
C7C6C22C212.4°0.0°
C7C6C22N1176.7°179.7°
C7C6N1C319.2°55.4°
C7C6N1C5124.0°179.7°
C7C6C22H10177.6°179.7°
CLC21C22C6170.4°180.0°
CLC21C20H99.4°0.0°
CLC21C22H109.6°0.3°
C21C22C6H10180.0°179.7°
C21C22C6N1174.3°179.7°
C22C21C20H9177.6°180.0°
C22C6N1C3164.1°124.3°
C22C6N1C552.6°0.0°
C22C6C7H5177.8°180.0°
C6N1C3C5145.0°124.2°
C6N1C3C2160.0°172.7°
C6N1C5C4159.7°172.7°
C6N1C5H339.4°52.8°
C6N1C5H480.1°67.3°
N1C6C7H55.5°0.3°
N1C6C22H105.7°0.0°
C6N1C3H1679.7°67.3°
C6N1C3H1739.8°52.8°
N1C3C2H16120.2°119.9°
N1C3C2H17120.3°119.9°
C3N1C5C454.8°63.1°
N1C3C2N55.5°53.8°
C3N1C5H3175.0°176.9°
C3N1C5H465.5°56.9°
N1C3H16H17119.3°120.1°
N1C3C2H18175.4°65.9°
N1C3C2H1964.5°173.5°
C2C3N1C555.0°63.1°
C3C2NH18120.0°119.7°
C3C2NH19119.9°119.8°
C3C2NC458.9°51.2°
C3C2NS151.5°128.8°
C2C3H16H17119.3°120.1°
C3C2H18H19120.2°120.5°
N1C5C4H3120.2°120.0°
N1C5C4H4120.2°119.9°
N1C5C4N55.1°53.9°
N1C5C4H164.8°65.9°
N1C5C4H2175.0°173.7°
N1C5H3H4119.3°120.1°
C5N1C3H1665.3°56.9°
C5N1C3H17175.2°177.0°
C5C4NC258.6°51.2°
C5C4NH1119.9°119.8°
C5C4NH2119.9°119.8°
C5C4NS152.6°128.7°
C5C4H1H2120.2°120.3°
C4C5H3H4119.3°120.1°
C2NC4S148.8°180.0°
C2NSO160.0°26.1°
C2NSO2171.6°154.0°
C2NSC155.2°89.9°
C2NC4H161.3°68.6°
C2NC4H2178.5°171.0°
NC2C3H1664.8°66.1°
NC2C3H17175.7°173.8°
NC2H18H19120.2°120.4°
C4NSO1153.1°153.9°
C4NSO224.7°26.1°
C4NSC191.8°90.0°
NC4H1H2120.3°120.6°
NC4C5H3175.3°173.8°
NC4C5H465.2°66.1°
C4NC2H18178.9°68.5°
C4NC2H1961.0°171.0°
NSO1O2121.4°116.7°
NSO1C1113.4°111.7°
NSO2C1114.0°111.8°
NSC1C112.2°180.0°
SNC4H187.5°111.5°
SNC4H232.7°9.0°
NSC1H118.2°60.0°
NSC1H12127.4°60.0°
SNC2H1831.6°111.5°
SNC2H1988.6°9.0°
O1SO2C1124.7°131.5°
O1SC1C2.1°68.4°
O1SC1H11122.5°171.6°
O1SC1H12118.3°51.6°
O2SC1C132.8°68.3°
O2SC1H11106.8°51.6°
O2SC1H1212.4°171.6°
SC1CH11120.4°120.0°
SC1CH12120.4°120.0°
SC1H11H12118.8°120.0°
SC1CH13180.0°60.0°
SC1CH1460.0°180.0°
SC1CH1560.0°60.0°
CC1H11H12118.8°120.0°
C1CH13H14120.0°120.0°
C1CH13H15120.0°120.0°
C1CH14H15120.0°120.0°
H1C4C5H355.4°54.0°
H1C4C5H4174.9°174.1°
H2C4C5H364.8°66.3°
H2C4C5H454.8°53.8°
H7C15C16H240.0°0.1°
H8C17C18H230.1°0.1°
H8C17C16H240.0°0.0°
H11C1CH1359.6°60.0°
H11C1CH14179.6°60.0°
H11C1CH1560.4°180.0°
H12C1CH1359.6°180.0°
H12C1CH1460.4°60.0°
H12C1CH15179.6°60.0°
H13CH14H15120.0°119.9°
H16C3C2H1855.2°174.2°
H16C3C2H19175.3°53.6°
H17C3C2H1864.3°54.0°
H17C3C2H1955.8°66.5°

226707

PDB entries from 2024-10-30

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