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XOJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.51Å
CHsing1.09Å1.10Å
CHAsing1.09Å1.10Å
CHBsing1.09Å1.10Å
NC1sing1.47Å1.48Å
NC2sing1.47Å1.48Å
NC4sing1.47Å1.48Å
OC14doub1.22Å1.23Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
N1C6sing1.46Å1.45Å
N1C7sing1.38Å1.35Å
N1HN1sing0.97Å1.00Å
O1C23sing1.36Å1.37Å
O1C25sing1.43Å1.43Å
C2C3sing1.53Å1.50Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
N2C7doub1.33Å1.36ÅAromatic
N2C8sing1.32Å1.31ÅAromatic
O2C21sing1.36Å1.37Å
O2C26sing1.43Å1.43Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C3H3Bsing1.09Å1.10Å
N3C12doub1.32Å1.33ÅAromatic
N3C13sing1.33Å1.37ÅAromatic
C4C5sing1.53Å1.52Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
N4C7sing1.32Å1.37ÅAromatic
N4C13doub1.34Å1.37ÅAromatic
C5C6sing1.53Å1.52Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
N5C12sing1.39Å1.41Å
N5C14sing1.35Å1.37Å
N5HN5sing0.97Å1.00Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
N6C14sing1.35Å1.36Å
N6C15sing1.46Å1.48Å
N6HN6sing0.97Å1.00Å
C8C9doub1.41Å1.39ÅAromatic
C8H8sing1.08Å1.08Å
C9C10sing1.40Å1.41ÅAromatic
C9C13sing1.42Å1.41ÅAromatic
C10C11doub1.39Å1.37ÅAromatic
C10H10sing1.08Å1.08Å
C11C12sing1.41Å1.44ÅAromatic
C11C19sing1.48Å1.49Å
C15C16sing1.53Å1.53Å
C15C17sing1.53Å1.52Å
C15C18sing1.53Å1.52Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C16H16Bsing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C17H17Bsing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C18H18Bsing1.09Å1.10Å
C19C20doub1.39Å1.39ÅAromatic
C19C24sing1.39Å1.40ÅAromatic
C20C21sing1.39Å1.39ÅAromatic
C20H20sing1.08Å1.08Å
C21C22doub1.39Å1.38ÅAromatic
C22C23sing1.39Å1.39ÅAromatic
C22H22sing1.08Å1.08Å
C23C24doub1.39Å1.39ÅAromatic
C24H24sing1.08Å1.08Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C25H25Bsing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1CH109.5°109.5°
C1CHA109.5°109.5°
C1CHB109.5°109.5°
CC1N114.1°109.5°
CC1H1108.3°109.4°
CC1H1A108.3°109.5°
HCHA109.4°109.5°
HCHB109.5°109.5°
HACHB109.5°109.4°
C1NC2115.6°111.0°
C1NC4112.7°111.0°
NC1H1108.3°109.4°
NC1H1A108.3°109.5°
C2NC4113.3°111.0°
NC2C3115.2°109.5°
NC2H2108.0°109.5°
NC2H2A108.0°109.5°
NC4C5116.1°109.5°
NC4H4107.8°109.5°
NC4H4A107.8°109.5°
OC14N5121.8°120.0°
OC14N6123.7°120.0°
H1C1H1A109.4°109.5°
C6N1C7127.3°120.0°
C6N1HN1104.8°120.0°
N1C6C5109.8°109.5°
N1C6H6109.4°109.5°
N1C6H6A109.4°109.5°
C7N1HN1104.9°120.0°
N1C7N2116.1°118.7°
N1C7N4117.1°118.6°
C23O1C25118.4°116.9°
O1C23C22125.1°120.0°
O1C23C24114.1°119.9°
O1C25H25109.5°109.4°
O1C25H25A109.5°109.5°
O1C25H25B109.4°109.5°
C3C2H2108.0°109.4°
C3C2H2A108.0°109.5°
C2C3H3109.5°109.5°
C2C3H3A109.5°109.5°
C2C3H3B109.5°109.5°
H2C2H2A109.5°109.5°
C7N2C8115.7°121.4°
N2C7N4126.9°122.7°
N2C8C9124.0°118.5°
N2C8H8118.0°120.7°
C21O2C26118.6°117.0°
O2C21C20113.1°120.0°
O2C21C22125.8°120.0°
O2C26H26109.5°109.4°
O2C26H26A109.5°109.5°
O2C26H26B109.5°109.5°
H3C3H3A109.4°109.5°
H3C3H3B109.5°109.4°
H3AC3H3B109.5°109.5°
C12N3C13118.1°121.5°
N3C12N5116.4°119.3°
N3C12C11123.5°121.4°
N3C13N4116.5°121.4°
N3C13C9122.2°120.2°
C5C4H4107.8°109.5°
C5C4H4A107.8°109.4°
C4C5C6114.7°109.5°
C4C5H5108.2°109.5°
C4C5H5A108.1°109.5°
H4C4H4A109.5°109.4°
C7N4C13115.1°120.3°
N4C13C9121.2°118.4°
C6C5H5108.1°109.5°
C6C5H5A108.2°109.5°
C5C6H6109.4°109.4°
C5C6H6A109.4°109.4°
H5C5H5A109.5°109.4°
C12N5C14132.2°120.0°
C12N5HN5113.9°120.0°
N5C12C11120.1°119.3°
C14N5HN5113.9°120.0°
N5C14N6114.6°120.0°
H6C6H6A109.5°109.5°
C14N6C15126.6°120.0°
C14N6HN6116.7°120.0°
C15N6HN6116.7°120.0°
N6C15C16109.9°109.5°
N6C15C17109.1°109.4°
N6C15C18108.4°109.5°
C9C8H8118.0°120.8°
C8C9C10124.0°121.9°
C8C9C13117.0°118.7°
C10C9C13118.6°119.5°
C9C10C11120.1°118.0°
C9C10H10119.9°121.0°
C11C10H10119.9°121.0°
C10C11C12117.5°119.5°
C10C11C19118.5°120.3°
C12C11C19123.9°120.2°
C11C19C20120.0°120.1°
C11C19C24121.1°120.1°
C16C15C17110.2°109.5°
C16C15C18109.7°109.5°
C15C16H16109.5°109.4°
C15C16H16A109.5°109.5°
C15C16H16B109.5°109.5°
C17C15C18109.4°109.5°
C15C17H17109.5°109.5°
C15C17H17A109.5°109.5°
C15C17H17B109.5°109.5°
C15C18H18109.5°109.5°
C15C18H18A109.4°109.4°
C15C18H18B109.4°109.5°
H16C16H16A109.5°109.5°
H16C16H16B109.5°109.5°
H16AC16H16B109.5°109.5°
H17C17H17A109.5°109.4°
H17C17H17B109.5°109.5°
H17AC17H17B109.4°109.5°
H18C18H18A109.4°109.4°
H18C18H18B109.5°109.5°
H18AC18H18B109.5°109.5°
C20C19C24118.8°119.8°
C19C20C21120.3°120.0°
C19C20H20119.9°120.0°
C19C24C23120.3°119.9°
C19C24H24119.9°120.1°
C21C20H20119.8°120.1°
C20C21C22121.0°120.0°
C21C22C23118.8°120.2°
C21C22H22120.6°119.9°
C23C22H22120.6°119.9°
C22C23C24120.8°120.1°
C23C24H24119.8°120.0°
H25C25H25A109.5°109.4°
H25C25H25B109.5°109.5°
H25AC25H25B109.5°109.5°
H26C26H26A109.5°109.4°
H26C26H26B109.5°109.5°
H26AC26H26B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1CHHA120.0°120.0°
C1CHHB120.0°120.0°
C1CHAHB120.0°120.0°
CC1NH1120.7°119.9°
CC1NH1A120.7°120.1°
CC1NC2145.5°66.0°
CC1NC481.9°170.0°
CC1H1H1A117.9°120.1°
HCHAHB120.0°120.0°
HCC1N180.0°60.1°
HCC1H159.3°180.0°
HCC1H1A59.3°60.0°
HACC1N60.0°179.9°
HACC1H160.7°60.0°
HACC1H1A179.3°60.0°
HBCC1N60.0°60.0°
HBCC1H1179.3°59.9°
HBCC1H1A60.7°180.0°
C1NC2C4132.3°124.0°
NC1H1H1A117.9°120.0°
C1NC2C3173.4°164.0°
C1NC2H265.8°44.0°
C1NC2H2A52.6°76.1°
C1NC4C575.8°75.6°
C1NC4H4163.2°164.3°
C1NC4H4A45.1°44.3°
C2NC1H193.8°53.9°
C2NC1H1A24.9°173.9°
NC2C3H2120.8°120.0°
NC2C3H2A120.8°120.0°
NC2H2H2A117.4°120.0°
NC2C3H3180.0°59.2°
NC2C3H3A60.0°60.9°
NC2C3H3B60.0°179.1°
C2NC4C557.8°160.3°
C2NC4H463.2°40.3°
C2NC4H4A178.8°79.7°
C4NC1H138.8°70.1°
C4NC1H1A157.4°49.9°
C4NC2C354.4°72.0°
C4NC2H266.5°168.0°
C4NC2H2A175.2°47.9°
NC4C5H4121.0°120.1°
NC4C5H4A120.9°120.0°
NC4H4H4A117.0°120.0°
NC4C5C6177.5°175.1°
NC4C5H556.7°64.9°
NC4C5H5A61.8°55.1°
OC14N5C12167.7°0.0°
OC14N5N6179.0°180.0°
OC14N5HN512.3°180.0°
OC14N6C1511.8°0.0°
OC14N6HN6168.3°180.0°
C6N1C7HN1122.3°180.0°
C6N1C7N2179.2°0.0°
N1C6C5C4178.9°180.0°
C6N1C7N41.6°180.0°
N1C6C5H6120.1°120.0°
N1C6C5H6A120.0°120.0°
N1C6C5H558.2°60.0°
N1C6C5H5A60.3°60.0°
N1C6H6H6A119.8°120.1°
N1C7N2N4179.1°180.0°
N1C7N2C8178.4°180.0°
N1C7N4C13179.9°180.0°
C7N1C6C5173.1°180.0°
C7N1C6H666.8°60.0°
C7N1C6H6A53.1°60.0°
HN1N1C7N258.4°180.0°
HN1N1C7N4120.8°0.1°
HN1N1C6C564.5°0.0°
HN1N1C6H655.5°120.0°
HN1N1C6H6A175.4°119.9°
O1C23C24C19178.1°179.6°
O1C23C22C21178.2°180.0°
O1C23C22C24178.8°179.8°
O1C23C22H221.8°0.0°
O1C23C24H241.9°0.0°
C23O1C25H25180.0°180.0°
C23O1C25H25A60.0°60.0°
C23O1C25H25B60.0°60.0°
C25O1C23C228.0°0.0°
C25O1C23C24170.9°179.7°
O1C25H25H25A120.0°120.0°
O1C25H25H25B120.0°120.0°
O1C25H25AH25B119.9°120.0°
C3C2H2H2A117.4°120.0°
C2C3H3H3A120.0°120.0°
C2C3H3H3B120.0°120.0°
C2C3H3AH3B120.0°120.0°
H2C2C3H359.2°179.2°
H2C2C3H3A179.2°59.2°
H2C2C3H3B60.9°60.8°
H2AC2C3H359.2°60.8°
H2AC2C3H3A60.8°179.2°
H2AC2C3H3B179.2°59.2°
N2C7N4C130.9°0.1°
C7N2C8C93.8°0.0°
C7N2C8H8176.2°179.9°
C8N2C7N40.7°0.1°
N2C8C9H8180.0°180.0°
N2C8C9C10177.3°179.9°
N2C8C9C135.2°0.0°
O2C21C20C19174.5°180.0°
O2C21C20C22175.9°179.9°
O2C21C20H205.5°0.0°
O2C21C22C23174.5°180.0°
O2C21C22H225.5°0.0°
C21O2C26H26180.0°180.0°
C21O2C26H26A60.0°60.0°
C21O2C26H26B60.0°60.0°
C26O2C21C20157.2°180.0°
C26O2C21C2218.5°0.0°
O2C26H26H26A120.0°120.0°
O2C26H26H26B120.0°120.0°
O2C26H26AH26B120.0°120.1°
H3C3H3AH3B120.0°120.0°
C12N3C13N4174.1°179.9°
N3C12N5C11177.4°179.9°
N3C12N5C1418.8°0.1°
N3C12N5HN5161.2°180.0°
C12N3C13C91.9°0.1°
N3C12C11C101.1°0.1°
N3C12C11C19177.9°179.9°
N3C13N4C7175.4°180.0°
N3C13N4C9176.0°180.0°
C13N3C12N5174.7°180.0°
N3C13C9C8172.4°180.0°
N3C13C9C100.2°0.1°
C13N3C12C112.6°0.1°
C5C4H4H4A117.0°119.9°
C4C5C6H5120.8°120.1°
C4C5C6H5A120.7°120.0°
C4C5H5H5A117.6°120.0°
C4C5C6H658.9°60.0°
C4C5C6H6A61.0°60.0°
H4C4C5C661.6°55.0°
H4C4C5H5177.7°175.0°
H4C4C5H5A59.2°65.0°
H4AC4C5C656.5°65.0°
H4AC4C5H564.2°55.0°
H4AC4C5H5A177.3°175.0°
C7N4C13C90.6°0.0°
N4C13C9C83.4°0.0°
N4C13C9C10176.0°179.9°
C6C5H5H5A117.6°119.9°
C5C6H6H6A119.9°120.0°
H5C5C6H661.9°60.0°
H5C5C6H6A178.2°180.0°
H5AC5C6H6179.6°180.0°
H5AC5C6H6A59.7°60.0°
C12N5C14HN5180.0°180.0°
C12N5C14N613.3°180.0°
N5C12C11C10176.1°179.9°
N5C12C11C190.7°0.0°
N5C14N6C15167.3°180.0°
N5C14N6HN612.7°0.0°
C14N5C12C11163.8°179.9°
HN5N5C14N6166.7°0.0°
HN5N5C12C1116.2°0.1°
C14N6C15HN6180.0°180.0°
C14N6C15C1659.8°60.0°
C14N6C15C1761.2°180.0°
C14N6C15C18179.7°60.0°
N6C15C16C17120.3°120.0°
N6C15C16C18119.1°120.0°
N6C15C17C18118.4°120.0°
N6C15C16H16180.0°60.0°
N6C15C16H16A60.0°180.0°
N6C15C16H16B60.0°60.0°
N6C15C17H17180.0°60.1°
N6C15C17H17A60.0°180.0°
N6C15C17H17B60.0°60.0°
N6C15C18H18180.0°60.1°
N6C15C18H18A60.0°180.0°
N6C15C18H18B60.0°60.0°
HN6N6C15C16120.2°120.0°
HN6N6C15C17118.8°0.0°
HN6N6C15C180.2°120.0°
C8C9C10C13172.1°180.0°
C8C9C10C11170.4°180.0°
C8C9C10H109.6°0.1°
H8C8C9C102.7°0.1°
H8C8C9C13174.8°180.0°
C9C10C11H10180.0°179.9°
C9C10C11C121.1°0.0°
C9C10C11C19175.9°180.0°
C13C9C10C111.7°0.0°
C13C9C10H10178.3°179.9°
C10C11C12C19176.8°180.0°
C10C11C19C2079.6°50.0°
C10C11C19C2498.7°129.7°
H10C10C11C12178.9°179.9°
H10C10C11C194.1°0.0°
C12C11C19C2097.1°130.0°
C12C11C19C2484.5°50.3°
C11C19C20C24178.4°179.7°
C11C19C20C21176.8°180.0°
C11C19C20H203.2°0.1°
C11C19C24C23177.1°179.7°
C11C19C24H242.9°0.1°
C16C15C17C18120.8°120.0°
C15C16H16H16A120.0°120.0°
C15C16H16H16B120.0°120.0°
C15C16H16AH16B120.0°120.0°
C16C15C17H1759.2°180.0°
C16C15C17H17A60.8°60.0°
C16C15C17H17B179.2°60.0°
C16C15C18H1860.0°59.9°
C16C15C18H18A179.9°60.0°
C16C15C18H18B60.0°180.0°
C17C15C16H1659.7°60.0°
C17C15C16H16A179.7°60.0°
C17C15C16H16B60.3°180.0°
C15C17H17H17A120.0°120.0°
C15C17H17H17B120.0°120.0°
C15C17H17AH17B120.0°120.0°
C17C15C18H1861.1°180.0°
C17C15C18H18A58.9°60.0°
C17C15C18H18B178.9°59.9°
C18C15C16H1660.9°180.0°
C18C15C16H16A59.1°60.0°
C18C15C16H16B179.1°60.0°
C18C15C17H1761.6°59.9°
C18C15C17H17A178.4°60.0°
C18C15C17H17B58.4°180.0°
C15C18H18H18A120.0°119.9°
C15C18H18H18B120.0°120.1°
C15C18H18AH18B120.0°120.0°
H16C16H16AH16B120.0°120.0°
H17C17H17AH17B120.0°120.0°
H18C18H18AH18B120.0°120.0°
C19C20C21H20180.0°180.0°
C19C20C21C221.4°0.0°
C20C19C24C231.3°0.6°
C20C19C24H24178.7°179.7°
C24C19C20C211.6°0.3°
C24C19C20H20178.5°179.7°
C19C24C23C220.8°0.6°
C19C24C23H24180.0°179.6°
C20C21C22C230.9°0.0°
C20C21C22H22179.1°180.0°
H20C20C21C22178.6°179.9°
C21C22C23H22180.0°180.0°
C21C22C23C240.6°0.3°
C22C23C24H24179.2°179.7°
H22C22C23C24179.4°179.7°
H25C25H25AH25B120.0°120.0°
H26C26H26AH26B120.0°120.0°

249697

PDB entries from 2026-02-25

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