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A1JN2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8C7doub1.38Å1.40ÅAromatic
C8C9sing1.38Å1.40ÅAromatic
C7C6sing1.38Å1.38ÅAromatic
F1C11sing1.40Å1.34Å
F2C11sing1.40Å1.35Å
C11C9sing1.51Å1.50Å
C11Fsing1.40Å1.34Å
C9C10doub1.38Å1.38ÅAromatic
C6C5doub1.39Å1.39ÅAromatic
C10C5sing1.39Å1.41ÅAromatic
C5Nsing1.40Å1.43Å
C4C3sing1.51Å1.47Å
NC3sing1.38Å1.38Å
NC12sing1.40Å1.39Å
N1C12doub1.28Å1.30Å
N1N2sing1.41Å1.37Å
C3C2doub1.35Å1.45Å
C12N3sing1.39Å1.38Å
N2C13sing1.35Å1.34Å
N3C13sing1.33Å1.37Å
N3C14sing1.47Å1.36Å
C2C1sing1.41Å1.46Å
C2C14sing1.51Å1.42Å
O1C1doub1.22Å1.22Å
C13O2doub1.22Å1.24Å
C1Osing1.35Å1.34Å
C14C15sing1.51Å1.53Å
C16C15doub1.38Å1.44ÅAromatic
C16C17sing1.38Å1.38ÅAromatic
C15C20sing1.38Å1.38ÅAromatic
OCsing1.43Å1.44Å
C17C18doub1.40Å1.39ÅAromatic
C20C21sing1.51Å1.51Å
C20C19doub1.38Å1.41ÅAromatic
C18C19sing1.40Å1.39ÅAromatic
C18C26sing1.43Å1.43Å
C23N4sing1.47Å1.49Å
C21C22sing1.53Å1.52Å
C22N4sing1.47Å1.51Å
C26N5trip1.14Å1.15Å
N4C24sing1.47Å1.50Å
N4C25sing1.47Å1.49Å
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C6H4sing1.08Å1.08Å
C7H5sing1.08Å1.08Å
C8H6sing1.08Å1.08Å
C10H7sing1.08Å1.08Å
C19H8sing1.08Å1.08Å
C17H9sing1.08Å1.08Å
C16H10sing1.08Å1.08Å
C21H11sing1.09Å1.10Å
C21H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C22H14sing1.09Å1.10Å
C25H15sing1.09Å1.10Å
C25H16sing1.09Å1.10Å
C25H17sing1.09Å1.10Å
C24H18sing1.09Å1.10Å
C24H19sing1.09Å1.10Å
C24H20sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C14H24sing1.09Å1.10Å
CH25sing1.09Å1.10Å
CH26sing1.09Å1.10Å
CH27sing1.09Å1.10Å
N2H28sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C8C9119.4°120.2°
C8C7C6119.3°120.0°
C8C7H5120.4°120.0°
C7C8H6120.3°119.9°
C8C9C11118.9°120.0°
C8C9C10121.1°120.1°
C9C8H6120.3°119.9°
C7C6C5121.6°119.9°
C7C6H4119.2°120.0°
C6C7H5120.3°120.0°
F1C11F2106.5°109.5°
F1C11C9112.4°109.5°
F1C11F107.9°109.5°
F2C11C9110.5°109.5°
F2C11F106.0°109.5°
C9C11F113.0°109.5°
C11C9C10119.8°120.0°
C9C10C5119.4°119.9°
C9C10H7120.3°120.0°
C6C5C10119.2°119.9°
C6C5N120.7°120.0°
C5C6H4119.2°120.0°
C10C5N120.1°120.1°
C5C10H7120.3°120.1°
C5NC3121.4°122.4°
C5NC12117.1°122.4°
C4C3N117.1°119.8°
C4C3C2123.6°119.9°
C3C4H1109.5°109.5°
C3C4H2109.5°109.5°
C3C4H3109.5°109.4°
C3NC12121.5°115.2°
NC3C2119.2°120.4°
NC12N1127.7°131.5°
NC12N3118.0°119.7°
C12N1N2103.5°107.9°
N1C12N3114.2°108.8°
N1N2C13111.7°107.5°
N1N2H28124.1°126.3°
C3C2C1121.2°119.4°
C3C2C14116.1°121.2°
C12N3C13103.9°108.4°
C12N3C14121.1°120.7°
N2C13N3106.8°107.4°
N2C13O2128.9°126.3°
C13N2H28124.2°126.2°
C13N3C14134.5°130.9°
N3C13O2124.3°126.3°
N3C14C2119.4°107.7°
N3C14C15109.1°109.8°
N3C14H24105.4°109.9°
C1C2C14122.7°119.4°
C2C1O1125.8°120.0°
C2C1O110.1°120.0°
C2C14C15113.1°109.8°
C2C14H24104.7°109.8°
O1C1O124.2°120.0°
C1OC114.5°117.1°
C14C15C16111.4°119.8°
C14C15C20129.8°119.9°
C15C14H24103.6°109.8°
C15C16C17121.0°120.2°
C16C15C20118.8°120.3°
C15C16H10119.5°119.9°
C16C17C18120.0°119.8°
C16C17H9120.0°120.1°
C17C16H10119.5°119.9°
C15C20C21126.2°119.9°
C15C20C19118.9°120.1°
OCH25109.5°109.5°
OCH26109.4°109.5°
OCH27109.5°109.4°
C17C18C19119.6°119.7°
C17C18C26120.1°120.1°
C18C17H9120.0°120.1°
C21C20C19114.8°119.9°
C20C21C22108.8°109.5°
C20C21H11109.6°109.5°
C20C21H12109.7°109.5°
C20C19C18121.6°119.9°
C20C19H8119.2°120.1°
C19C18C26120.2°120.2°
C18C19H8119.2°120.1°
C18C26N5176.1°180.0°
C23N4C22110.1°109.5°
C23N4C24106.0°109.4°
C23N4C25111.8°109.5°
N4C23H21109.5°109.4°
N4C23H22109.5°109.5°
N4C23H23109.5°109.5°
C21C22N4113.5°109.5°
C22C21H11109.7°109.5°
C22C21H12109.7°109.4°
C21C22H13108.4°109.5°
C21C22H14108.4°109.4°
C22N4C24105.5°109.5°
C22N4C25112.1°109.5°
N4C22H13108.5°109.5°
N4C22H14108.4°109.5°
C24N4C25111.0°109.5°
N4C24H18109.5°109.5°
N4C24H19109.5°109.5°
N4C24H20109.5°109.5°
N4C25H15109.5°109.5°
N4C25H16109.5°109.5°
N4C25H17109.4°109.4°
H1C4H2109.5°109.5°
H1C4H3109.5°109.5°
H2C4H3109.5°109.5°
H11C21H12109.5°109.4°
H13C22H14109.5°109.4°
H15C25H16109.4°109.4°
H15C25H17109.5°109.4°
H16C25H17109.5°109.5°
H18C24H19109.5°109.5°
H18C24H20109.5°109.5°
H19C24H20109.4°109.4°
H21C23H22109.5°109.4°
H21C23H23109.5°109.5°
H22C23H23109.5°109.5°
H25CH26109.5°109.4°
H25CH27109.5°109.5°
H26CH27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C8C9H6180.0°180.0°
C8C7C6H5180.0°179.9°
C7C8C9C11174.5°180.0°
C7C8C9C100.7°0.3°
C8C7C6C50.2°0.1°
C8C7C6H4179.8°180.0°
C9C8C7C60.2°0.1°
C8C9C11F142.2°120.0°
C8C9C11F276.7°120.0°
C8C9C11C10175.2°179.7°
C8C9C11F164.6°0.0°
C8C9C10C50.7°0.5°
C9C8C7H5179.8°180.0°
C8C9C10H7179.3°180.0°
C7C6C5H4180.0°179.9°
C7C6C5C100.2°0.2°
C7C6C5N179.8°180.0°
C6C7C8H6179.8°180.0°
F1C11F2C9122.4°120.0°
F1C11F2F114.8°120.0°
F1C11C9F122.5°120.0°
F1C11C9C10142.6°60.3°
F2C11C9F118.7°120.0°
F2C11C9C1098.5°59.8°
C11C9C10C5174.4°179.7°
C11C9C8H65.5°0.0°
C11C9C10H75.6°0.3°
FC11C9C1020.2°179.7°
C9C10C5C60.3°0.5°
C9C10C5H7180.0°179.4°
C9C10C5N179.8°179.7°
C10C9C8H6179.3°179.7°
C6C5C10N179.9°179.8°
C6C5NC3104.7°65.0°
C6C5NC1275.8°115.1°
C5C6C7H5179.8°180.0°
C6C5C10H7179.7°179.9°
C10C5NC375.2°114.8°
C10C5NC12104.3°65.0°
C10C5C6H4179.8°179.7°
C5NC3C414.6°30.2°
C5NC3C12179.5°179.9°
C5NC12N110.8°30.6°
C5NC3C2169.7°149.8°
C5NC12N3173.2°150.1°
NC5C6H40.3°0.1°
NC5C10H70.3°0.2°
C4C3NC2175.6°180.0°
C4C3NC12165.9°149.7°
C4C3C2C13.2°1.4°
C4C3C2C14179.0°178.8°
C3C4H1H2120.0°120.0°
C3C4H1H3120.0°119.9°
C3C4H2H3120.0°119.9°
C3NC12N1169.6°149.2°
C3NC12N36.4°30.0°
NC3C2C1178.6°178.6°
NC3C2C143.6°1.2°
NC3C4H1180.0°87.4°
NC3C4H260.0°32.6°
NC3C4H360.0°152.6°
NC12N1N3176.1°179.3°
NC12N1N2175.6°179.0°
C12NC3C29.8°30.3°
NC12N3C13175.8°178.6°
NC12N3C1411.4°2.0°
C12N1N2C130.1°0.2°
N1C12N3C130.7°0.8°
N1C12N3C14172.0°178.6°
C12N1N2H28179.8°179.9°
N2N1C12N30.5°0.4°
N1N2C13H28180.0°179.9°
N1N2C13N30.3°0.7°
N1N2C13O2178.3°179.5°
C3C2C14N320.8°30.1°
C3C2C1C14177.6°179.8°
C3C2C1O18.3°106.3°
C3C2C1O172.2°73.4°
C3C2C14C15109.6°89.4°
C2C3C4H14.5°92.6°
C2C3C4H2115.4°147.4°
C2C3C4H3124.6°27.4°
C3C2C14H24138.3°149.8°
C12N3C13N20.6°0.9°
C12N3C13C14171.3°179.3°
C12N3C14C225.3°30.0°
C12N3C13O2178.1°179.2°
C12N3C14C15106.8°89.5°
C12N3C14H24142.5°149.6°
N2C13N3O2178.6°179.9°
N2C13N3C14170.7°178.4°
C13N3C14C2164.6°150.8°
C13N3C14C1563.3°89.6°
C13N3C14H2447.4°31.2°
N3C13N2H28179.7°179.4°
N3C14C2C1161.5°149.6°
N3C14C2C15130.3°119.6°
N3C14C2H24117.6°119.6°
C14N3C13O210.6°1.5°
N3C14C15H24111.9°120.9°
N3C14C15C1668.3°50.4°
N3C14C15C20110.5°129.9°
C2C1O1O179.4°179.7°
C1C2C14C1568.2°90.8°
C2C1OC176.3°174.2°
C1C2C14H2443.9°30.0°
C14C2C1O1174.1°73.5°
C14C2C1O5.4°106.9°
C2C14C15H24112.8°120.8°
C2C14C15C1667.0°67.9°
C2C14C15C20114.2°111.9°
O1C1OC4.2°5.4°
O2C13N2H281.7°0.5°
C1OCH25180.0°174.5°
C1OCH2660.0°54.5°
C1OCH2760.0°65.5°
C14C15C16C20178.9°179.8°
C14C15C16C17178.5°179.7°
C14C15C20C211.3°0.3°
C14C15C20C19178.6°179.8°
C14C15C16H101.5°0.2°
C15C16C17H10180.0°180.0°
C15C16C17C180.3°0.0°
C16C15C20C21177.4°180.0°
C16C15C20C190.1°0.0°
C15C16C17H9179.7°179.9°
C16C15C14H24179.8°171.3°
C17C16C15C200.5°0.0°
C16C17C18H9180.0°180.0°
C16C17C18C191.4°0.0°
C16C17C18C26175.1°180.0°
C15C20C21C19177.4°180.0°
C15C20C19C181.1°0.0°
C15C20C21C22103.1°88.1°
C15C20C19H8178.9°180.0°
C20C15C16H10179.5°180.0°
C15C20C21H1116.8°151.8°
C15C20C21H12137.0°31.9°
C20C15C14H241.4°8.9°
OCH25H26120.0°120.0°
OCH25H27120.0°120.0°
OCH26H27120.0°120.0°
C17C18C19C201.9°0.0°
C17C18C19C26176.5°180.0°
C17C18C26N588.1°110.0°
C17C18C19H8178.1°180.0°
C18C17C16H10179.7°180.0°
C21C20C19C18176.5°180.0°
C20C21C22H11119.9°120.1°
C20C21C22H12119.9°120.0°
C20C21C22N4171.6°176.8°
C21C20C19H83.5°0.0°
C20C21H11H12120.3°120.0°
C20C21C22H1367.7°63.1°
C20C21C22H1451.1°56.8°
C20C19C18H8180.0°180.0°
C20C19C18C26174.7°180.0°
C19C20C21C2274.3°91.9°
C19C20C21H11165.8°28.1°
C19C20C21H1245.6°148.1°
C19C18C26N588.4°70.0°
C19C18C17H9178.6°180.0°
C26C18C19H85.3°0.0°
C26C18C17H94.9°0.0°
C23N4C22C2169.9°176.1°
C23N4C22C24114.0°120.0°
C23N4C22C25125.1°120.0°
C23N4C24C25121.6°120.0°
C23N4C22H13169.5°63.8°
C23N4C22H1450.6°56.1°
C23N4C25H15180.0°180.0°
C23N4C25H1660.0°60.0°
C23N4C25H1760.0°60.0°
C23N4C24H18180.0°61.1°
C23N4C24H1960.0°59.0°
C23N4C24H2060.0°179.0°
N4C23H21H22120.0°119.9°
N4C23H21H23120.0°120.0°
N4C23H22H23120.0°120.0°
C21C22N4H13120.6°120.1°
C21C22N4H14120.6°120.0°
C21C22N4C24176.1°63.9°
C21C22N4C2555.2°56.1°
C22C21H11H12120.3°119.9°
C21C22H13H14118.1°119.9°
C22N4C24C25121.7°120.0°
N4C22C21H1151.8°56.8°
N4C22C21H1268.4°63.1°
N4C22H13H14118.1°120.0°
C22N4C25H1555.9°60.0°
C22N4C25H16175.9°180.0°
C22N4C25H1764.2°60.0°
C22N4C24H1863.2°58.9°
C22N4C24H1956.8°179.0°
C22N4C24H20176.7°61.1°
C22N4C23H21180.0°61.9°
C22N4C23H2260.0°178.1°
C22N4C23H2360.0°58.1°
C24N4C22H1355.5°56.1°
C24N4C22H1463.3°176.1°
C24N4C25H1561.8°60.0°
C24N4C25H1658.2°60.0°
C24N4C25H17178.2°180.0°
N4C24H18H19120.0°120.0°
N4C24H18H20120.0°120.0°
N4C24H19H20120.0°120.0°
C24N4C23H2166.4°178.1°
C24N4C23H2253.6°58.2°
C24N4C23H23173.6°61.9°
C25N4C22H1365.4°176.1°
C25N4C22H14175.7°63.9°
N4C25H15H16120.0°120.1°
N4C25H15H17120.0°120.0°
N4C25H16H17120.0°120.0°
C25N4C24H1858.4°178.9°
C25N4C24H19178.4°61.0°
C25N4C24H2061.6°59.0°
C25N4C23H2154.7°58.1°
C25N4C23H22174.7°61.8°
C25N4C23H2365.3°178.1°
H1C4H2H3120.0°120.1°
H4C6C7H50.2°0.1°
H5C7C8H60.2°0.1°
H9C17C16H100.3°0.0°
H11C21C22H13172.4°176.8°
H11C21C22H1468.8°63.2°
H12C21C22H1352.2°56.9°
H12C21C22H14171.0°176.8°
H15C25H16H17120.0°120.0°
H18C24H19H20120.0°120.0°
H21C23H22H23120.0°120.1°
H25CH26H27120.0°120.0°

250835

PDB entries from 2026-03-18

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