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CRV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.57Å
C1F5sing1.40Å1.37Å
C1F6sing1.40Å1.37Å
C1F7sing1.40Å1.38Å
C2N3sing1.47Å1.50Å
C2C4sing1.51Å1.51Å
C2H2sing1.09Å1.10Å
N3C8sing1.47Å1.50Å
N3HN3sing1.01Å1.00Å
C4C20doub1.38Å1.44ÅAromatic
C4C24sing1.38Å1.46ÅAromatic
C8C9sing1.51Å1.45Å
C8C10sing1.53Å1.56Å
C8H8sing1.09Å1.10Å
C9N13sing1.35Å1.33Å
C9O14doub1.21Å1.23Å
C10S11sing1.81Å1.80Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
S11C12sing1.81Å1.81Å
S11O32doub1.42Å1.58Å
S11O33doub1.42Å1.58Å
C12C26sing1.51Å1.49Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
N13C15sing1.46Å1.43Å
N13HN13sing0.97Å1.00Å
C15C18sing1.53Å1.54Å
C15C19sing1.53Å1.56Å
C15C16sing1.53Å1.49Å
N17C16sing1.47Å1.27Å
N17H171sing1.01Å1.00Å
N17H172sing1.01Å1.00Å
C18C19sing1.53Å1.37Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C20C21sing1.38Å1.43ÅAromatic
C20H20sing1.08Å1.08Å
C21C22doub1.39Å1.43ÅAromatic
C21H21sing1.08Å1.08Å
C22C23sing1.39Å1.43ÅAromatic
C22O25sing1.36Å1.36Å
C23C24doub1.38Å1.43ÅAromatic
C23H23sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
O25HO25sing0.97Å0.95Å
C26C27sing1.38Å1.44ÅAromatic
C26C31doub1.38Å1.45ÅAromatic
C27C28doub1.38Å1.42ÅAromatic
C27H27sing1.08Å1.08Å
C28C29sing1.38Å1.43ÅAromatic
C28H28sing1.08Å1.08Å
C29C30doub1.38Å1.43ÅAromatic
C29H29sing1.08Å1.08Å
C30C31sing1.38Å1.43ÅAromatic
C30H30sing1.08Å1.08Å
C31H31sing1.08Å1.08Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1F5111.9°109.5°
C2C1F6110.4°109.4°
C2C1F7112.9°109.4°
C1C2N3114.9°109.4°
C1C2C4113.0°109.5°
C1C2H2102.2°109.5°
F5C1F6107.7°109.5°
F5C1F7107.3°109.5°
F6C1F7106.4°109.5°
N3C2C4107.1°109.5°
N3C2H2108.7°109.5°
C2N3C8119.7°106.7°
C2N3HN3106.2°106.7°
C4C2H2110.8°109.5°
C2C4C20119.8°119.9°
C2C4C24122.3°120.0°
C8N3HN3106.2°106.7°
N3C8C9108.8°109.5°
N3C8C10111.6°109.5°
N3C8H8109.4°109.5°
C20C4C24117.9°120.1°
C4C20C21121.2°120.0°
C4C20H20119.4°120.0°
C4C24C23120.8°120.1°
C4C24H24119.6°119.9°
C9C8C10112.0°109.5°
C9C8H8109.0°109.4°
C8C9N13120.0°120.0°
C8C9O14119.6°120.0°
C10C8H8106.0°109.5°
C8C10S11117.1°109.5°
C8C10H101107.0°109.5°
C8C10H102105.3°109.4°
N13C9O14120.4°120.0°
C9N13C15126.6°120.0°
C9N13HN13116.7°119.9°
S11C10H101107.0°109.5°
S11C10H102105.2°109.5°
C10S11C12106.1°99.4°
C10S11O32109.8°109.0°
C10S11O33111.6°109.0°
H101C10H102115.7°109.5°
C12S11O32108.9°109.0°
C12S11O33109.9°109.0°
S11C12C26114.3°109.5°
S11C12H121107.9°109.4°
S11C12H122106.8°109.5°
O32S11O33110.4°119.6°
C26C12H121107.9°109.5°
C26C12H122106.8°109.5°
C12C26C27120.0°120.0°
C12C26C31121.3°120.0°
H121C12H122113.4°109.5°
C15N13HN13116.7°120.0°
N13C15C18108.1°117.5°
N13C15C19117.7°117.5°
N13C15C16118.8°115.6°
C18C15C1952.6°60.0°
C18C15C16109.0°117.5°
C15C18C1964.1°60.0°
C15C18H181128.6°117.5°
C15C18H182133.8°117.5°
C19C15C16123.5°117.5°
C15C19C1863.3°60.0°
C15C19H191129.1°117.4°
C15C19H192134.3°117.5°
C15C16N17124.9°109.4°
C15C16H161104.6°109.5°
C15C16H162101.0°109.5°
C16N17H171109.5°106.7°
C16N17H172109.5°106.7°
N17C16H161104.6°109.4°
N17C16H162101.0°109.5°
H171N17H172109.4°106.7°
C19C18H181128.6°117.5°
C19C18H182133.8°117.5°
C18C19H191129.1°117.4°
C18C19H192134.3°117.5°
H181C18H18277.8°115.6°
H191C19H19277.2°115.6°
C21C20H20119.4°120.0°
C20C21C22120.1°119.9°
C20C21H21120.0°120.0°
C22C21H21120.0°120.1°
C21C22C23119.9°119.9°
C21C22O25120.3°120.0°
C23C22O25119.8°120.1°
C22C23C24120.2°119.9°
C22C23H23119.9°120.0°
C22O25HO25109.5°106.9°
C24C23H23119.9°120.0°
C23C24H24119.6°120.0°
C27C26C31118.7°120.0°
C26C27C28120.8°120.0°
C26C27H27119.6°120.0°
C26C31C30120.5°120.0°
C26C31H31119.8°120.0°
C28C27H27119.6°120.0°
C27C28C29119.9°120.0°
C27C28H28120.0°120.0°
C29C28H28120.0°120.0°
C28C29C30120.3°120.0°
C28C29H29119.8°120.0°
C30C29H29119.9°120.1°
C29C30C31119.8°120.0°
C29C30H30120.1°120.0°
C31C30H30120.1°120.0°
C30C31H31119.8°120.0°
H161C16H162122.6°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1F5F6121.5°120.0°
C2C1F5F7124.3°120.0°
C2C1F6F7122.8°120.0°
C1C2N3C4126.5°120.0°
C1C2N3H2113.8°120.0°
C1C2C4H2114.0°120.0°
C1C2N3C889.0°85.0°
C1C2N3HN331.0°161.2°
C1C2C4C20101.8°100.0°
C1C2C4C2478.4°80.3°
F5C1F6F7114.8°120.1°
F5C1C2N355.5°60.0°
F5C1C2C4178.8°180.0°
F5C1C2H262.1°60.0°
F6C1C2N3175.4°180.0°
F6C1C2C461.3°60.0°
F6C1C2H257.8°60.0°
F7C1C2N365.7°60.0°
F7C1C2C457.7°60.0°
F7C1C2H2176.8°180.0°
N3C2C4H2118.4°120.0°
C2N3C8HN3120.0°113.8°
N3C2C4C20130.6°140.0°
N3C2C4C2449.2°39.7°
C2N3C8C976.2°84.9°
C2N3C8C10159.8°155.0°
C2N3C8H842.8°35.0°
C4C2N3C8144.6°155.0°
C4C2N3HN395.4°41.2°
C2C4C20C24179.9°179.7°
C2C4C20C21179.9°180.0°
C2C4C20H200.1°0.0°
C2C4C24C23179.9°179.7°
C2C4C24H240.1°0.2°
H2C2N3C824.8°35.0°
H2C2N3HN3144.8°78.8°
H2C2C4C2012.2°20.0°
H2C2C4C24167.6°159.7°
N3C8C9C10123.8°120.0°
N3C8C9H8119.2°120.0°
N3C8C10H8119.0°120.0°
N3C8C9N13139.0°180.0°
N3C8C9O1442.7°0.0°
N3C8C10S1162.2°60.0°
N3C8C10H10157.8°60.1°
N3C8C10H102178.6°180.0°
HN3N3C8C9163.9°28.8°
HN3N3C8C1039.9°91.2°
HN3N3C8H877.1°148.7°
C4C20C21H20180.0°180.0°
C4C20C21C220.0°0.0°
C4C20C21H21179.9°179.9°
C20C4C24C230.1°0.6°
C20C4C24H24179.9°180.0°
C24C4C20C210.0°0.3°
C24C4C20H20180.0°179.7°
C4C24C23C220.1°0.6°
C4C24C23H24180.0°179.4°
C4C24C23H23179.9°179.8°
C9C8C10H8118.8°120.0°
C8C9N13O14178.2°179.9°
C9C8C10S11175.6°180.0°
C9C8C10H10164.4°60.0°
C9C8C10H10259.2°60.0°
C8C9N13C15177.9°175.1°
C8C9N13HN132.1°5.0°
C10C8C9N1397.2°60.0°
C10C8C9O1481.1°120.0°
C8C10S11H101120.0°120.0°
C8C10S11H102116.5°119.9°
C8C10H101H102116.9°119.9°
C8C10S11C1278.5°180.0°
C8C10S11O3239.1°66.0°
C8C10S11O33161.8°66.1°
H8C8C9N1319.8°60.1°
H8C8C9O14161.9°120.0°
H8C8C10S1156.8°60.0°
H8C8C10H101176.8°179.9°
H8C8C10H10259.6°60.0°
C9N13C15HN13180.0°179.9°
C9N13C15C18134.9°148.9°
C9N13C15C1978.3°80.3°
C9N13C15C16100.3°65.3°
O14C9N13C150.3°4.8°
O14C9N13HN13179.7°175.0°
S11C10H101H102116.9°120.0°
C10S11C12O32118.2°114.0°
C10S11C12O33120.8°114.0°
C10S11O32O33123.5°126.3°
C10S11C12C26171.6°180.0°
C10S11C12H12168.4°60.0°
C10S11C12H12253.8°60.0°
H101C10S11C1241.5°60.0°
H101C10S11O32159.1°173.9°
H101C10S11O3378.2°53.9°
H102C10S11C12165.0°60.0°
H102C10S11O3277.4°53.9°
H102C10S11O3345.4°174.0°
C12S11O32O33120.8°126.2°
S11C12C26H121120.0°119.9°
S11C12C26H122117.8°120.0°
S11C12H121H122118.0°120.0°
S11C12C26C2798.0°90.3°
S11C12C26C3182.3°90.0°
O32S11C12C2653.5°66.0°
O32S11C12H121173.5°174.0°
O32S11C12H12264.4°54.0°
O33S11C12C2667.6°66.0°
O33S11C12H12152.4°54.0°
O33S11C12H122174.6°174.0°
C26C12H121H122118.1°120.0°
C12C26C27C31179.7°179.7°
C12C26C27C28179.7°179.8°
C12C26C27H270.3°0.3°
C12C26C31C30179.8°180.0°
C12C26C31H310.2°0.1°
H121C12C26C2722.0°149.8°
H121C12C26C31157.7°29.9°
H122C12C26C27144.2°29.7°
H122C12C26C3135.5°150.0°
N13C15C18C19111.4°107.5°
N13C15C18C16130.4°145.1°
N13C15C19C16178.5°145.0°
N13C15C16N17168.0°35.2°
N13C15C18H181128.6°145.1°
N13C15C18H18215.5°0.0°
N13C15C19H19127.7°0.0°
N13C15C19H192140.8°145.0°
N13C15C16H16172.0°84.8°
N13C15C16H16256.2°155.1°
HN13N13C15C1845.1°31.2°
HN13N13C15C19101.7°99.8°
HN13N13C15C1679.7°114.5°
C18C15C19C1689.2°107.5°
C18C15C16N1767.6°110.6°
C15C18C19H181120.0°107.5°
C15C18C19H182126.9°107.5°
C15C18H181H182137.2°145.7°
C18C15C19H191120.0°107.5°
C18C15C19H192126.9°107.5°
C18C15C16H16152.4°129.5°
C18C15C16H162179.5°9.4°
C19C15C16N1710.5°179.2°
C15C19H191H192137.5°145.7°
C19C15C16H161109.5°60.9°
C19C15C16H162122.3°59.2°
C15C16N17H161120.0°120.0°
C15C16N17H162111.8°120.0°
C15C16N17H171163.9°61.4°
C15C16N17H17276.1°175.2°
C16C15C18H1811.9°0.0°
C16C15C18H182115.0°145.0°
C16C15C19H191150.8°145.1°
C16C15C19H19237.8°0.0°
C15C16H161H162113.6°120.0°
C16N17H171H172120.0°113.8°
N17C16H161H162113.6°120.0°
H171N17C16H16143.9°178.6°
H171N17C16H16284.3°58.6°
H172N17C16H161163.9°64.9°
H172N17C16H16235.7°55.2°
C19C18H181H182137.2°145.7°
C18C19H191H192137.5°145.8°
H181C18C19H191120.0°145.1°
H181C18C19H1926.9°0.0°
H182C18C19H1916.9°0.0°
H182C18C19H192106.2°145.1°
C20C21C22H21180.0°179.9°
C20C21C22C230.1°0.0°
C20C21C22O25180.0°180.0°
H20C20C21C22180.0°180.0°
H20C20C21H210.1°0.1°
C21C22C23O25179.9°179.9°
C21C22C23C240.0°0.3°
C21C22C23H23180.0°179.9°
C21C22O25HO2548.8°89.9°
H21C21C22C23179.9°180.0°
H21C21C22O250.0°0.1°
C22C23C24H23180.0°179.6°
C22C23C24H24179.9°180.0°
C23C22O25HO25131.2°90.0°
O25C22C23C24179.9°179.7°
O25C22C23H230.0°0.0°
H23C23C24H240.1°0.3°
C26C27C28H27180.0°179.5°
C26C27C28C290.1°0.5°
C26C27C28H28179.9°179.7°
C27C26C31C300.1°0.3°
C27C26C31H31179.9°179.8°
C31C26C27C280.1°0.5°
C31C26C27H27179.9°180.0°
C26C31C30C290.1°0.0°
C26C31C30H31180.0°179.9°
C26C31C30H30179.9°179.9°
C27C28C29H28180.0°179.8°
C27C28C29C300.1°0.2°
C27C28C29H29180.0°179.8°
H27C27C28C29179.9°180.0°
H27C27C28H280.2°0.2°
C28C29C30H29180.0°180.0°
C28C29C30C310.1°0.0°
C28C29C30H30179.9°180.0°
H28C28C29C30179.9°180.0°
H28C28C29H290.1°0.0°
C29C30C31H30180.0°180.0°
C29C30C31H31179.9°179.9°
H29C29C30C31179.9°180.0°
H29C29C30H300.1°0.0°
H30C30C31H310.1°0.0°

222415

PDB entries from 2024-07-10

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