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XAH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.47Å1.47Å
C2C3sing1.53Å1.53Å
C3C4sing1.53Å1.53Å
C4C5sing1.53Å1.53Å
C5C6sing1.53Å1.53Å
C6N7sing1.47Å1.47Å
C6C8sing1.51Å1.53Å
C8O9doub1.21Å1.23Å
C8N10sing1.35Å1.33Å
N10O11sing1.42Å1.36Å
O11P12sing1.61Å1.61Å
P12O13sing1.61Å1.48Å
P12O14doub1.48Å1.48Å
P12O15sing1.61Å1.61Å
O15C16sing1.43Å1.43Å
C16C17sing1.53Å1.53Å
C17O18sing1.44Å1.44Å
C17C19sing1.54Å1.53Å
O18C23sing1.44Å1.44Å
C19O20sing1.43Å1.43Å
C19C21sing1.55Å1.53Å
C21O22sing1.43Å1.43Å
C21C23sing1.55Å1.53Å
C23N24sing1.47Å1.48Å
N24C25sing1.36Å1.33ÅAromatic
N24C28sing1.37Å1.33ÅAromatic
C25N26doub1.30Å1.33ÅAromatic
N26C27sing1.35Å1.33ÅAromatic
C27C28doub1.41Å1.39ÅAromatic
C27C32sing1.41Å1.39ÅAromatic
C28N29sing1.33Å1.34ÅAromatic
N29C30doub1.32Å1.32ÅAromatic
C30N31sing1.32Å1.32ÅAromatic
N31C32doub1.33Å1.34ÅAromatic
C32N33sing1.38Å1.33Å
N1HN1sing1.01Å1.00Å
N1HN1Asing1.01Å1.00Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C6H6sing1.09Å1.10Å
N7HN7sing1.01Å1.00Å
N7HN7Asing1.01Å1.00Å
N10HN10sing0.97Å1.00Å
O13HO13sing0.97Å0.95Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
O20HO20sing0.97Å0.95Å
C21H21sing1.09Å1.10Å
O22HO22sing0.97Å0.95Å
C23H23sing1.09Å1.10Å
C25H25sing1.08Å1.08Å
C30H30sing1.08Å1.08Å
N33HN33sing0.97Å1.00Å
N33HN3Asing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C2C3109.9°109.5°
C2N1HN1109.5°111.0°
C2N1HN1A109.5°111.0°
N1C2H2109.3°109.5°
N1C2H2A109.2°109.5°
C2C3C4112.0°109.5°
C3C2H2109.3°109.5°
C3C2H2A109.2°109.4°
C2C3H3108.6°109.4°
C2C3H3A108.1°109.5°
C3C4C5111.6°109.5°
C4C3H3108.7°109.5°
C4C3H3A108.1°109.5°
C3C4H4108.8°109.5°
C3C4H4A108.3°109.5°
C4C5C6111.3°109.5°
C5C4H4108.8°109.5°
C5C4H4A108.3°109.5°
C4C5H5108.9°109.5°
C4C5H5A108.5°109.5°
C5C6N7108.6°109.5°
C5C6C8111.7°109.5°
C6C5H5108.9°109.5°
C6C5H5A108.5°109.4°
C5C6H6108.1°109.5°
N7C6C8108.1°109.5°
N7C6H6111.7°109.5°
C6N7HN7109.5°111.0°
C6N7HN7A109.5°111.0°
C6C8O9120.0°120.0°
C6C8N10117.3°120.0°
C8C6H6108.6°109.5°
O9C8N10122.7°120.0°
C8N10O11116.3°120.0°
C8N10HN10121.9°120.0°
N10O11P12113.5°114.0°
O11N10HN10121.8°120.0°
O11P12O13106.6°109.5°
O11P12O14110.3°109.5°
O11P12O15102.0°109.4°
O13P12O14118.6°109.5°
O13P12O15108.7°109.5°
P12O13HO13109.5°114.0°
O14P12O15109.3°109.5°
P12O15C16121.1°123.0°
O15C16C17109.4°109.5°
O15C16H16109.5°109.5°
O15C16H16A109.5°109.4°
C16C17O18111.7°109.9°
C16C17C19109.3°109.9°
C17C16H16109.5°109.5°
C17C16H16A109.5°109.5°
C16C17H17106.7°109.9°
O18C17C19104.6°107.3°
C17O18C23108.1°107.0°
O18C17H17111.2°109.9°
C17C19O20108.5°110.5°
C17C19C2199.1°104.2°
C19C17H17113.5°110.0°
C17C19H19116.6°110.5°
O18C23C21106.5°103.5°
O18C23N24106.8°110.6°
O18C23H23114.5°110.6°
O20C19C21109.9°110.4°
O20C19H19107.0°110.5°
C19O20HO20109.5°114.0°
C19C21O22110.4°111.0°
C19C21C23101.5°102.1°
C21C19H19115.3°110.6°
C19C21H21114.0°110.9°
O22C21C23109.6°110.9°
O22C21H21106.6°110.8°
C21O22HO22109.5°114.0°
C21C23N24113.3°110.6°
C23C21H21114.8°110.9°
C21C23H23108.1°110.6°
C23N24C25126.3°126.2°
C23N24C28125.6°126.3°
N24C23H23107.8°110.6°
C25N24C28108.0°107.5°
N24C25N26109.7°110.0°
N24C25H25125.2°125.1°
N24C28C27107.1°106.0°
N24C28N29133.4°134.9°
C25N26C27107.7°109.4°
N26C25H25125.1°124.9°
N26C27C28107.5°107.1°
N26C27C32134.3°134.7°
C28C27C32118.2°118.2°
C27C28N29119.5°119.0°
C27C32N31118.9°118.4°
C27C32N33120.7°120.8°
C28N29C30120.9°120.7°
N29C30N31121.2°122.5°
N29C30H30119.4°118.8°
C30N31C32121.4°121.2°
N31C30H30119.4°118.8°
N31C32N33120.4°120.8°
C32N33HN33109.5°120.1°
C32N33HN3A109.5°120.0°
HN1N1HN1A109.4°111.0°
H2C2H2A109.8°109.4°
H3C3H3A111.5°109.5°
H4C4H4A111.1°109.4°
H5C5H5A110.9°109.5°
HN7N7HN7A109.5°111.0°
H16C16H16A109.4°109.5°
HN33N33HN3A109.5°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2C3H2120.0°120.0°
N1C2C3H2A119.8°120.0°
N1C2C3C464.9°180.0°
C2N1HN1HN1A120.0°123.9°
N1C2H2H2A119.8°120.1°
N1C2C3H355.1°60.0°
N1C2C3H3A176.2°60.0°
C2C3C4H3120.0°120.0°
C2C3C4H3A118.9°120.0°
C2C3C4C5177.9°180.0°
C3C2N1HN141.3°180.0°
C3C2N1HN1A161.2°56.0°
C3C2H2H2A119.8°119.9°
C2C3H3H3A118.9°120.0°
C2C3C4H462.1°59.9°
C2C3C4H4A58.8°60.0°
C3C4C5H4120.0°120.0°
C3C4C5H4A119.1°120.0°
C3C4C5C667.2°180.0°
C4C3C2H2175.1°60.0°
C4C3C2H2A55.0°60.0°
C4C3H3H3A119.0°120.0°
C3C4H4H4A119.2°120.0°
C3C4C5H552.8°60.0°
C3C4C5H5A173.6°60.0°
C4C5C6H5120.0°120.0°
C4C5C6H5A119.2°120.0°
C4C5C6N763.1°65.0°
C4C5C6C8177.8°175.0°
C5C4C3H357.9°60.0°
C5C4C3H3A63.2°60.0°
C5C4H4H4A119.1°120.0°
C4C5H5H5A119.2°120.0°
C4C5C6H658.4°55.0°
C5C6N7C8121.4°120.0°
C5C6N7H6119.2°120.0°
C5C6C8H6119.2°120.0°
C5C6C8O9124.1°100.0°
C5C6C8N1054.9°80.0°
C6C5C4H4172.8°59.9°
C6C5C4H4A51.9°60.0°
C6C5H5H5A119.3°120.0°
C5C6N7HN753.9°176.0°
C5C6N7HN7A173.9°60.0°
N7C6C8H6121.4°120.0°
N7C6C8O94.7°20.0°
N7C6C8N10174.4°160.0°
N7C6C5H5176.9°175.0°
N7C6C5H5A56.2°55.0°
C6N7HN7HN7A120.0°124.0°
C6C8O9N10179.0°180.0°
C6C8N10O11179.1°180.0°
C8C6C5H557.8°55.0°
C8C6C5H5A62.9°65.0°
C8C6N7HN7175.3°64.0°
C8C6N7HN7A64.7°60.0°
C6C8N10HN100.9°0.0°
O9C8N10O111.8°0.0°
O9C8C6H6116.7°140.0°
O9C8N10HN10178.2°180.0°
C8N10O11HN10180.0°180.0°
C8N10O11P12176.1°180.0°
N10C8C6H664.2°40.0°
N10O11P12O13149.1°60.0°
N10O11P12O1419.1°60.0°
N10O11P12O1596.9°180.0°
O11P12O13O14125.1°120.1°
O11P12O13O15109.3°119.9°
O11P12O14O15111.4°119.9°
O11P12O15C1694.8°175.0°
P12O11N10HN103.9°0.0°
O11P12O13HO1354.0°60.0°
O13P12O14O15125.3°120.0°
O13P12O15C16152.7°65.0°
O14P12O15C1621.9°55.0°
O14P12O13HO13179.1°180.0°
P12O15C16C17141.9°180.0°
O15P12O13HO1355.4°60.0°
P12O15C16H1621.9°60.0°
P12O15C16H16A98.0°60.0°
O15C16C17H16120.0°120.0°
O15C16C17H16A120.1°120.0°
O15C16C17O1860.5°66.5°
O15C16C17C1954.8°175.7°
O15C16H16H16A120.0°120.0°
O15C16C17H17177.9°54.5°
C16C17O18C19118.1°119.4°
C16C17O18H17119.0°121.0°
C16C17C19H17118.9°121.1°
C16C17O18C23145.1°145.9°
C16C17C19O2082.9°119.9°
C16C17C19C21162.4°121.5°
C17C16H16H16A120.0°120.0°
C16C17C19H1937.9°2.6°
O18C17C19H17121.4°119.5°
O18C17C19O20157.3°120.7°
O18C17C19C2142.7°2.1°
C17O18C23C210.2°40.1°
C17O18C23N24121.1°158.6°
O18C17C16H16179.5°53.5°
O18C17C16H16A59.6°173.5°
O18C17C19H1981.8°116.8°
C17O18C23H23119.7°78.4°
C19C17O18C2327.0°26.5°
C17C19O20C21107.4°114.7°
C17C19O20H19126.7°122.6°
C17C19C21H19125.4°118.8°
C17C19C21O2274.9°139.1°
C17C19C21C2341.2°20.8°
C19C17C16H1665.2°64.3°
C19C17C16H16A174.9°55.7°
C17C19O20HO2081.3°180.0°
C17C19C21H21165.2°97.3°
O18C23C21C1927.0°37.0°
O18C23C21O2289.7°155.3°
O18C23C21N24117.1°118.5°
O18C23C21H23123.5°118.5°
O18C23N24H23123.5°123.0°
O18C23N24C2540.7°23.5°
O18C23N24C28134.4°156.7°
C23O18C17H1795.9°93.1°
O18C23C21H21150.5°81.2°
O20C19C21H19121.1°122.6°
O20C19C21O2238.6°20.4°
O20C19C21C23154.8°97.8°
O20C19C17H1736.0°1.2°
O20C19C21H2181.3°144.0°
C19C21O22C23111.0°112.7°
C19C21O22H21124.3°123.7°
C19C21C23H21123.4°118.2°
C19C21C23N2490.1°155.5°
C21C19C17H1778.7°117.5°
C21C19O20HO20171.3°65.3°
C19C21O22HO2219.0°61.4°
C19C21C23H23150.5°81.5°
O22C21C23H21119.8°123.5°
O22C21C23N24153.2°86.2°
O22C21C19H19159.7°102.2°
O22C21C23H2333.8°36.7°
C21C23N24H23119.6°122.9°
C21C23N24C2576.2°90.5°
C21C23N24C28108.6°89.2°
C23C21C19H1984.1°139.6°
C23C21O22HO22129.9°174.2°
C23N24C25C28175.9°179.8°
C23N24C25N26175.5°180.0°
C23N24C28C27175.5°179.8°
C23N24C28N294.1°0.1°
N24C23C21H2133.4°37.3°
C23N24C25H254.5°0.0°
N24C25N26H25180.0°180.0°
N24C25N26C270.1°0.1°
C25N24C28C270.4°0.4°
C25N24C28N29179.9°179.7°
C25N24C23H23164.2°146.5°
C28N24C25N260.3°0.2°
N24C28C27N260.4°0.4°
N24C28C27N29179.7°179.9°
N24C28C27C32179.4°179.9°
N24C28N29C30179.6°179.9°
C28N24C23H2311.0°33.7°
C28N24C25H25179.7°179.8°
C25N26C27C280.2°0.3°
C25N26C27C32179.6°179.9°
N26C27C28C32179.8°179.7°
N26C27C28N29180.0°179.7°
N26C27C32N31180.0°179.2°
N26C27C32N331.1°0.1°
C27N26C25H25179.9°179.9°
C27C28N29C300.0°0.2°
C28C27C32N310.3°0.4°
C28C27C32N33178.7°179.7°
C32C27C28N290.2°0.0°
C27C32N31C300.1°0.6°
C27C32N31N33179.0°179.3°
C27C32N33HN33170.8°0.1°
C27C32N33HN3A50.8°180.0°
C28N29C30N310.2°0.0°
C28N29C30H30179.8°180.0°
N29C30N31H30180.0°180.0°
N29C30N31C320.1°0.4°
C30N31C32N33178.9°179.9°
C32N31C30H30179.9°179.6°
N31C32N33HN338.1°179.2°
N31C32N33HN3A128.2°0.7°
C32N33HN33HN3A120.0°179.9°
HN1N1C2H2161.2°60.0°
HN1N1C2H2A78.6°60.0°
HN1AN1C2H278.8°64.0°
HN1AN1C2H2A41.4°176.0°
H2C2C3H364.9°180.0°
H2C2C3H3A56.2°60.1°
H2AC2C3H3175.0°60.0°
H2AC2C3H3A64.0°180.0°
H3C3C4H4177.9°179.9°
H3C3C4H4A61.2°60.0°
H3AC3C4H456.8°60.1°
H3AC3C4H4A177.7°180.0°
H4C4C5H567.2°179.9°
H4C4C5H5A53.6°60.0°
H4AC4C5H5172.0°60.0°
H4AC4C5H5A67.3°179.9°
H5C5C6H661.7°65.0°
H5AC5C6H6177.6°175.0°
H6C6N7HN765.3°56.0°
H6C6N7HN7A54.7°180.0°
H16C16C17H1757.9°174.5°
H16AC16C17H1762.1°65.4°
H17C17C19H19156.9°123.7°
H19C19O20HO2045.3°57.4°
H19C19C21H2139.8°21.4°
H21C21O22HO22105.3°62.3°
H21C21C23H2386.1°160.3°

248636

PDB entries from 2026-02-04

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