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Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C01C02doub1.37Å1.41ÅAromatic
C02C03sing1.39Å1.42ÅAromatic
C03C04doub1.41Å1.42ÅAromatic
C04C05sing1.40Å1.41ÅAromatic
C05C06doub1.36Å1.40ÅAromatic
C06C01sing1.39Å1.42ÅAromatic
C03N07sing1.37Å1.38ÅAromatic
N07N25sing1.40Å1.32ÅAromatic
N25N08doub1.29Å1.32ÅAromatic
N08C04sing1.35Å1.38ÅAromatic
N07C09sing1.46Å1.45Å
C09C10sing1.51Å1.53Å
C10O11doub1.21Å1.18Å
C10N12sing1.35Å1.45Å
N12C13sing1.47Å1.47Å
N12C14sing1.40Å1.45Å
C14C15doub1.39Å1.38ÅAromatic
C15C16sing1.38Å1.38ÅAromatic
C16C17doub1.39Å1.39ÅAromatic
C17C18sing1.40Å1.38ÅAromatic
C18C19doub1.38Å1.38ÅAromatic
C19C14sing1.39Å1.39ÅAromatic
C17C20sing1.48Å1.53Å
C20N21sing1.38Å1.33ÅAromatic
N21C22sing1.35Å1.33ÅAromatic
C22N23doub1.31Å1.33ÅAromatic
N23C24sing1.34Å1.32ÅAromatic
C24C20doub1.36Å1.39ÅAromatic
C13C26sing1.51Å1.53Å
C26C27doub1.38Å1.39ÅAromatic
C27C28sing1.38Å1.39ÅAromatic
C28C29doub1.38Å1.39ÅAromatic
C29C30sing1.38Å1.39ÅAromatic
C30C31doub1.38Å1.38ÅAromatic
C31C26sing1.38Å1.39ÅAromatic
C30CL32sing1.74Å1.77Å
C13H132sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C15H151sing1.08Å1.08Å
C22H221sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C28H281sing1.08Å1.08Å
C01H011sing1.08Å1.08Å
C02H021sing1.08Å1.08Å
C05H051sing1.08Å1.08Å
C06H061sing1.08Å1.08Å
C09H091sing1.09Å1.10Å
C09H092sing1.09Å1.10Å
C16H161sing1.08Å1.08Å
C18H181sing1.08Å1.08Å
C19H191sing1.08Å1.08Å
C27H271sing1.08Å1.08Å
C29H291sing1.08Å1.08Å
C31H311sing1.08Å1.08Å
N21H1sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01C02C03119.7°119.8°
C02C01C06119.8°120.6°
C02C01H011120.1°119.7°
C01C02H021120.1°120.1°
C02C03C04120.0°119.9°
C02C03N07134.5°134.0°
C03C02H021120.1°120.1°
C03C04C05120.1°119.1°
C04C03N07105.5°106.1°
C03C04N08106.1°107.7°
C04C05C06119.6°119.8°
C05C04N08133.7°133.2°
C04C05H051120.2°120.1°
C05C06C01120.7°120.8°
C06C05H051120.2°120.1°
C05C06H061119.7°119.6°
C06C01H011120.1°119.7°
C01C06H061119.6°119.6°
C03N07N25109.2°106.5°
C03N07C09126.6°126.8°
N07N25N08110.4°109.4°
N25N07C09124.2°126.7°
N25N08C04108.7°110.3°
N07C09C10107.4°109.5°
N07C09H091110.0°109.5°
N07C09H092110.0°109.5°
C09C10O11120.5°120.0°
C09C10N12120.9°120.0°
C10C09H091110.0°109.4°
C10C09H092110.0°109.4°
O11C10N12118.6°120.0°
C10N12C13119.4°120.0°
C10N12C14123.6°120.0°
C13N12C14116.9°120.0°
N12C13C26108.6°109.4°
N12C13H132109.7°109.5°
N12C13H131109.7°109.5°
N12C14C15118.2°119.9°
N12C14C19120.5°120.0°
C14C15C16118.8°120.1°
C15C14C19121.2°120.1°
C14C15H151120.6°119.9°
C15C16C17120.0°119.9°
C16C15H151120.6°120.0°
C15C16H161120.0°120.0°
C16C17C18121.3°119.9°
C16C17C20117.7°120.1°
C17C16H161120.0°120.1°
C17C18C19118.8°119.9°
C18C17C20120.8°120.0°
C17C18H181120.6°120.1°
C18C19C14119.8°120.1°
C19C18H181120.6°120.0°
C18C19H191120.1°119.9°
C14C19H191120.1°120.0°
C17C20N21126.5°126.7°
C17C20C24124.4°126.8°
C20N21C22106.6°107.1°
N21C20C24108.9°106.4°
C20N21H1126.7°126.4°
N21C22N23110.0°109.0°
N21C22H221125.0°125.6°
C22N21H1126.7°126.5°
C22N23C24108.9°109.5°
N23C22H221125.0°125.4°
N23C24C20105.6°107.9°
N23C24H241127.2°126.1°
C20C24H241127.2°126.0°
C13C26C27122.0°120.0°
C13C26C31118.6°120.0°
C26C13H132109.7°109.4°
C26C13H131109.7°109.4°
C26C27C28119.8°120.0°
C27C26C31119.4°120.0°
C26C27H271120.1°120.0°
C27C28C29120.7°120.1°
C27C28H281119.7°120.0°
C28C27H271120.1°120.0°
C28C29C30118.7°119.9°
C29C28H281119.7°120.0°
C28C29H291120.6°120.0°
C29C30C31121.0°120.0°
C29C30CL32121.8°120.0°
C30C29H291120.6°120.1°
C30C31C26120.3°120.0°
C31C30CL32117.2°120.0°
C30C31H311119.9°120.0°
C26C31H311119.9°120.0°
H132C13H131109.5°109.5°
H091C09H092109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01C02C03H021180.0°179.9°
C01C02C03C040.3°0.1°
C02C01C06C050.7°0.6°
C02C01C06H011180.0°179.6°
C01C02C03N07179.4°180.0°
C02C01C06H061179.3°179.9°
C02C03C04N07179.3°180.0°
C02C03C04C050.8°0.0°
C03C02C01C060.4°0.3°
C02C03N07N25179.1°180.0°
C02C03C04N08179.8°180.0°
C02C03N07C090.2°0.1°
C03C02C01H011179.6°180.0°
C03C04C05N08179.2°180.0°
C03C04C05C060.6°0.2°
C04C03N07N250.1°0.0°
C03C04N08N250.9°0.0°
C04C03N07C09179.4°180.0°
C04C03C02H021179.7°180.0°
C03C04C05H051179.4°180.0°
C04C05C06H051180.0°179.8°
C04C05C06C010.1°0.5°
C05C04C03N07179.8°180.0°
C05C04N08N25179.9°180.0°
C04C05C06H061179.8°180.0°
C05C06C01H061180.0°179.5°
C06C05C04N08179.8°179.8°
C05C06C01H011179.4°179.8°
C06C01C02H021179.6°179.8°
C01C06C05H051179.9°179.7°
C03N07N25C09179.3°179.9°
C03N07N25N080.7°0.0°
N07C03C04N080.5°0.0°
C03N07C09C1065.4°90.0°
N07C03C02H0210.6°0.1°
C03N07C09H09154.3°29.9°
C03N07C09H092174.9°150.0°
N07N25N08C041.0°0.0°
N25N07C09C10113.8°90.1°
N25N07C09H091126.5°150.0°
N25N07C09H0925.9°29.9°
N08N25N07C09180.0°180.0°
N08C04C05H0510.2°0.0°
N07C09C10H091119.7°120.0°
N07C09C10H092119.7°120.0°
N07C09C10O1113.5°5.2°
N07C09C10N12164.7°174.4°
N07C09H091H092121.0°120.1°
C09C10O11N12178.2°179.6°
C09C10N12C13179.9°6.0°
C09C10N12C143.3°174.0°
C10C09H091H092120.9°120.0°
O11C10N12C131.9°173.7°
O11C10N12C14178.5°6.3°
O11C10C09H091133.2°114.8°
O11C10C09H092106.2°125.2°
C10N12C13C14176.8°180.0°
C10N12C14C15123.7°8.0°
C10N12C14C1960.6°172.1°
C10N12C13C2687.0°94.3°
C10N12C13H13232.8°145.7°
C10N12C13H131153.1°25.7°
N12C10C09H09144.9°65.6°
N12C10C09H09275.6°54.4°
C13N12C14C1559.6°172.1°
C13N12C14C19116.1°7.9°
N12C13C26H132119.9°120.0°
N12C13C26H131119.9°120.0°
N12C13C26C27127.1°85.6°
N12C13C26C3152.0°94.8°
N12C13H132H131120.4°120.1°
N12C14C15C19175.6°180.0°
N12C14C15C16177.1°180.0°
N12C14C19C18177.0°180.0°
C14N12C13C2689.8°85.7°
C14N12C13H132150.4°34.3°
C14N12C13H13130.1°154.3°
N12C14C15H1513.0°0.3°
N12C14C19H1913.0°0.2°
C14C15C16H151180.0°179.7°
C14C15C16C170.6°0.3°
C15C14C19C181.4°0.0°
C14C15C16H161179.4°179.7°
C15C14C19H191178.6°179.8°
C15C16C17H161180.0°180.0°
C15C16C17C182.7°0.6°
C16C15C14C191.4°0.0°
C15C16C17C20177.6°180.0°
C16C17C18C20174.8°179.4°
C16C17C18C192.7°0.6°
C16C17C20N21174.7°0.6°
C16C17C20C240.8°179.2°
C17C16C15H151179.4°180.0°
C16C17C18H181177.3°179.4°
C17C18C19H181180.0°180.0°
C17C18C19C140.6°0.3°
C18C17C20N210.2°180.0°
C18C17C20C24174.2°0.2°
C18C17C16H161177.3°179.4°
C17C18C19H191179.4°179.9°
C18C19C14H191180.0°179.8°
C19C18C17C20177.5°180.0°
C19C14C15H151178.6°179.7°
C14C19C18H181179.4°179.7°
C17C20N21C24174.7°179.8°
C17C20N21C22176.5°180.0°
C17C20C24N23176.9°180.0°
C17C20C24H2413.1°0.0°
C20C17C16H1612.4°0.0°
C20C17C18H1812.6°0.0°
C17C20N21H13.5°0.1°
C20N21C22H1180.0°179.9°
C20N21C22N230.9°0.1°
N21C20C24N232.0°0.2°
C20N21C22H221179.1°179.9°
N21C20C24H241178.0°179.8°
N21C22N23H221180.0°180.0°
N21C22N23C240.4°0.0°
C22N21C20C241.8°0.2°
C22N23C24C201.4°0.1°
C22N23C24H241178.6°179.9°
N23C22N21H1179.1°179.8°
N23C24C20H241180.0°180.0°
C24N23C22H221179.6°180.0°
C24C20N21H1178.2°179.7°
C13C26C27C31179.1°179.7°
C13C26C27C28179.8°180.0°
C13C26C31C30179.0°180.0°
C26C13H132H131120.4°120.0°
C13C26C27H2710.2°0.0°
C13C26C31H3111.0°0.0°
C26C27C28H271180.0°180.0°
C26C27C28C291.0°0.0°
C27C26C31C300.1°0.3°
C27C26C13H1327.2°34.4°
C27C26C13H131113.1°154.4°
C26C27C28H281179.0°179.7°
C27C26C31H311179.9°179.6°
C27C28C29H281180.0°179.7°
C27C28C29C300.6°0.3°
C28C27C26C310.7°0.3°
C27C28C29H291179.4°179.7°
C28C29C30H291180.0°180.0°
C28C29C30C310.3°0.4°
C28C29C30CL32179.9°180.0°
C29C28C27H271178.9°180.0°
C29C30C31CL32179.6°179.6°
C29C30C31C260.6°0.0°
C30C29C28H281179.5°180.0°
C29C30C31H311179.4°180.0°
C30C31C26H311180.0°180.0°
C31C30C29H291179.7°179.7°
C26C31C30CL32179.7°179.7°
C31C26C13H132171.9°145.3°
C31C26C13H13167.9°25.2°
C31C26C27H271179.3°179.7°
CL32C30C29H2910.1°0.1°
CL32C30C31H3110.3°0.4°
H151C15C16H1610.6°0.0°
H221C22N21H10.9°0.2°
H281C28C27H2711.0°0.3°
H281C28C29H2910.5°0.0°
H011C01C02H0210.4°0.1°
H011C01C06H0610.7°0.3°
H051C05C06H0610.1°0.2°
H181C18C19H1910.6°0.1°

250835

PDB entries from 2026-03-18

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