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9XW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C23C22sing1.53Å1.52Å
C11C12sing1.53Å1.51Å
C11O10sing1.43Å1.44Å
C12N07sing1.47Å1.41Å
O10C09sing1.43Å1.43Å
C21C22sing1.53Å1.51Å
C21C20sing1.53Å1.52Å
C22C25sing1.53Å1.50Å
C22O24sing1.43Å1.42Å
C25C26sing1.53Å1.51Å
N07C06sing1.40Å1.45Å
N07C08sing1.47Å1.43Å
C09C08sing1.53Å1.50Å
O18C17doub1.22Å1.22Å
C20N19sing1.47Å1.44Å
S14C13sing1.76Å1.73ÅAromatic
S14C15sing1.76Å1.75ÅAromatic
C17N19sing1.35Å1.48Å
C17N16sing1.35Å1.45Å
C06C13doub1.40Å1.41ÅAromatic
C06C05sing1.38Å1.40ÅAromatic
N19C26sing1.47Å1.46Å
C13C28sing1.40Å1.40ÅAromatic
C15N16sing1.39Å1.44Å
C15N27doub1.29Å1.33ÅAromatic
C05C04doub1.39Å1.43ÅAromatic
C28N27sing1.35Å1.36ÅAromatic
C28C03doub1.42Å1.43ÅAromatic
C04C03sing1.38Å1.36ÅAromatic
C03O02sing1.36Å1.44Å
C01O02sing1.43Å1.46Å
C20H1sing1.09Å1.10Å
C20H2sing1.09Å1.10Å
C21H3sing1.09Å1.10Å
C21H4sing1.09Å1.10Å
C26H5sing1.09Å1.10Å
C26H6sing1.09Å1.10Å
C01H7sing1.09Å1.10Å
C01H8sing1.09Å1.10Å
C01H9sing1.09Å1.10Å
C04H10sing1.08Å1.08Å
C05H11sing1.08Å1.08Å
C08H12sing1.09Å1.10Å
C08H13sing1.09Å1.10Å
C09H14sing1.09Å1.10Å
C09H15sing1.09Å1.10Å
C11H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C23H20sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C25H23sing1.09Å1.10Å
C25H24sing1.09Å1.10Å
N16H25sing0.97Å1.00Å
O24H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C23C22C21109.1°109.5°
C23C22C25107.6°109.4°
C23C22O24109.0°109.5°
C22C23H20109.5°109.4°
C22C23H21109.4°109.5°
C22C23H22109.5°109.5°
C12C11O10111.6°109.3°
C11C12N07112.9°109.2°
C12C11H16108.9°109.5°
C12C11H17108.9°109.5°
C11C12H18108.6°109.5°
C11C12H19108.6°109.6°
C11O10C09111.6°113.7°
O10C11H16109.0°109.6°
O10C11H17108.9°109.4°
C12N07C06120.6°111.0°
C12N07C08114.2°110.8°
N07C12H18108.6°109.5°
N07C12H19108.6°109.5°
O10C09C08111.4°109.3°
O10C09H14109.0°109.5°
O10C09H15109.0°109.6°
C22C21C20112.5°109.3°
C21C22C25113.5°109.5°
C21C22O24108.7°109.5°
C22C21H3108.7°109.5°
C22C21H4108.7°109.5°
C21C20N19107.7°108.8°
C21C20H1109.9°109.6°
C21C20H2109.9°109.7°
C20C21H3108.7°109.5°
C20C21H4108.7°109.5°
C25C22O24108.8°109.5°
C22C25C26112.1°109.3°
C22C25H23108.8°109.5°
C22C25H24108.8°109.5°
C22O24H26109.5°114.0°
C25C26N19109.1°108.8°
C25C26H5109.6°109.6°
C25C26H6109.6°109.6°
C26C25H23108.8°109.5°
C26C25H24108.8°109.5°
C06N07C08119.5°111.0°
N07C06C13121.2°119.9°
N07C06C05119.5°119.9°
N07C08C09113.1°109.3°
N07C08H12108.6°109.4°
N07C08H13108.5°109.5°
C09C08H12108.5°109.5°
C09C08H13108.6°109.5°
C08C09H14109.0°109.5°
C08C09H15109.0°109.5°
O18C17N19119.9°120.0°
O18C17N16122.5°120.0°
C20N19C17123.7°120.6°
C20N19C26114.0°118.7°
N19C20H1109.9°109.6°
N19C20H2109.9°109.6°
C13S14C1595.4°90.4°
S14C13C06135.7°131.2°
S14C13C28104.6°108.4°
S14C15N16127.4°124.8°
S14C15N27107.4°110.4°
N19C17N16117.6°120.0°
C17N19C26122.3°120.7°
C17N16C15123.2°120.0°
C17N16H25118.4°120.0°
C13C06C05119.3°120.2°
C06C13C28119.7°120.4°
C06C05C04120.6°119.9°
C06C05H11119.7°120.1°
N19C26H5109.5°109.5°
N19C26H6109.6°109.7°
C13C28N27117.3°112.9°
C13C28C03120.6°118.4°
N16C15N27125.2°124.8°
C15N16H25118.4°120.0°
C15N27C28115.3°117.9°
C05C04C03119.8°120.6°
C05C04H10120.1°119.7°
C04C05H11119.7°120.0°
N27C28C03122.1°128.7°
C28C03C04120.0°120.5°
C28C03O02119.7°119.7°
C04C03O02120.3°119.8°
C03C04H10120.1°119.7°
C03O02C01113.4°117.0°
O02C01H7109.5°109.4°
O02C01H8109.5°109.4°
O02C01H9109.5°109.5°
H1C20H2109.5°109.6°
H3C21H4109.5°109.5°
H5C26H6109.5°109.6°
H7C01H8109.5°109.5°
H7C01H9109.4°109.5°
H8C01H9109.5°109.5°
H12C08H13109.5°109.6°
H14C09H15109.5°109.5°
H16C11H17109.5°109.5°
H18C12H19109.5°109.6°
H20C23H21109.5°109.5°
H20C23H22109.4°109.4°
H21C23H22109.5°109.5°
H23C25H24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C23C22C21C25120.0°120.0°
C23C22C21O24118.7°120.0°
C23C22C21C20167.9°178.6°
C23C22C25O24118.0°120.0°
C23C22C25C26167.6°178.6°
C23C22C21H371.7°61.4°
C23C22C21H447.4°58.7°
C22C23H20H21120.0°120.0°
C22C23H20H22120.0°120.0°
C22C23H21H22120.0°120.0°
C23C22C25H2347.2°61.4°
C23C22C25H2472.0°58.7°
C23C22O24H26180.0°60.0°
C12C11O10H16120.3°119.9°
C12C11O10H17120.3°119.9°
C11C12N07H18120.5°119.9°
C11C12N07H19120.5°119.9°
C12C11O10C0955.1°58.7°
C11C12N07C06158.7°177.6°
C11C12N07C0848.3°58.6°
C12C11H16H17119.0°120.1°
C11C12H18H19118.5°120.2°
O10C11C12N0751.5°56.8°
C11O10C09C0855.0°58.7°
C11O10C09H14175.4°61.3°
C11O10C09H1565.2°178.6°
O10C11H16H17119.0°120.1°
O10C11C12H18172.0°176.7°
O10C11C12H1969.0°63.1°
C12N07C06C08151.7°123.7°
C12N07C08C0948.4°58.6°
C12N07C06C1350.7°120.0°
C12N07C06C05129.3°60.2°
C12N07C08H12169.0°61.3°
C12N07C08H1372.1°178.6°
N07C12C11H16171.8°176.8°
N07C12C11H1768.9°63.1°
N07C12H18H19118.4°120.1°
O10C09C08N0751.3°56.8°
O10C09C08H14120.3°120.0°
O10C09C08H15120.3°120.0°
O10C09C08H12171.9°63.0°
O10C09C08H1369.2°176.8°
O10C09H14H15119.1°120.1°
C09O10C11H16175.4°178.6°
C09O10C11H1765.2°61.3°
C22C21C20H3120.4°120.0°
C22C21C20H4120.5°119.9°
C21C22C25O24121.2°120.0°
C21C22C25C2646.7°61.4°
C22C21C20N1953.7°54.7°
C22C21C20H166.1°65.2°
C22C21C20H2173.4°174.5°
C22C21H3H4118.6°120.1°
C21C22C23H20180.0°60.0°
C21C22C23H2160.0°180.0°
C21C22C23H2260.0°59.9°
C21C22C25H2373.7°58.6°
C21C22C25H24167.1°178.7°
C21C22O24H2661.2°180.0°
C20C21C22C2547.9°61.4°
C20C21C22O2473.4°58.6°
C21C20N19H1119.7°119.8°
C21C20N19H2119.7°119.9°
C21C20N19C17115.6°126.4°
C21C20N19C2662.6°53.6°
C21C20H1H2120.8°120.4°
C20C21H3H4118.6°120.1°
C22C25C26H23120.4°119.9°
C22C25C26H24120.4°119.9°
C22C25C26N1951.7°54.7°
C25C22C21H3168.3°58.6°
C25C22C21H472.6°178.7°
C22C25C26H5171.6°174.4°
C22C25C26H668.3°65.3°
C25C22C23H2056.4°180.0°
C25C22C23H2163.6°60.0°
C25C22C23H22176.4°60.1°
C22C25H23H24118.8°120.1°
C25C22O24H2662.9°60.0°
O24C22C25C2674.5°58.6°
O24C22C21H347.1°178.6°
O24C22C21H4166.2°61.3°
O24C22C23H2061.4°60.0°
O24C22C23H21178.6°60.0°
O24C22C23H2258.6°179.9°
O24C22C25H23165.1°178.6°
O24C22C25H2445.9°61.3°
C25C26N19C2062.4°53.6°
C25C26N19C17115.8°126.4°
C25C26N19H5119.9°119.8°
C25C26N19H6120.0°119.9°
C25C26H5H6120.2°120.4°
C26C25H23H24118.8°120.1°
C06N07C08C09158.2°177.6°
N07C06C13S140.1°0.3°
N07C06C13C05180.0°179.8°
N07C06C13C28180.0°179.9°
N07C06C05C04180.0°180.0°
N07C06C05H110.1°0.1°
C06N07C08H1237.7°62.5°
C06N07C08H1381.2°57.6°
C06N07C12H1838.2°57.7°
C06N07C12H1980.8°62.5°
N07C08C09H12120.6°119.9°
N07C08C09H13120.5°120.0°
C08N07C06C13101.0°116.3°
C08N07C06C0579.0°63.5°
N07C08H12H13118.3°120.1°
N07C08C09H14171.6°63.1°
N07C08C09H1569.0°176.8°
C08N07C12H18168.8°178.5°
C08N07C12H1972.2°61.4°
C09C08H12H13118.3°120.1°
C08C09H14H15119.1°120.0°
O18C17N19C201.3°5.0°
O18C17N19N16180.0°180.0°
O18C17N19C26179.3°175.0°
O18C17N16C150.5°5.1°
O18C17N16H25179.4°174.9°
C20N19C17C26178.0°180.0°
C20N19C17N16178.8°175.0°
N19C20H1H2120.8°120.3°
N19C20C21H3174.1°65.3°
N19C20C21H466.8°174.6°
C20N19C26H5177.6°173.4°
C20N19C26H657.5°66.3°
S14C13C06C28179.9°179.8°
S14C13C06C05179.9°179.9°
C13S14C15N16180.0°179.9°
C13S14C15N270.3°0.2°
S14C13C28N270.1°0.2°
S14C13C28C03179.9°179.8°
S14C15N16C176.4°179.8°
C15S14C13C06179.9°180.0°
C15S14C13C280.2°0.2°
S14C15N16N27179.6°179.8°
S14C15N27C280.3°0.2°
S14C15N16H25173.6°0.2°
N19C17N16C15179.4°174.9°
C17N19C20H1124.7°113.8°
C17N19C20H24.1°6.5°
C17N19C26H54.1°6.6°
C17N19C26H6124.2°113.7°
N19C17N16H250.6°5.1°
N16C17N19C260.7°5.0°
C17N16C15H25180.0°180.0°
C17N16C15N27174.0°0.0°
C13C06C05C040.0°0.1°
C06C13C28N27180.0°180.0°
C06C13C28C030.1°0.0°
C13C06C05H11179.9°179.9°
C05C06C13C280.0°0.1°
C06C05C04H11180.0°180.0°
C06C05C04C030.0°0.0°
C06C05C04H10180.0°179.9°
C26N19C20H157.1°66.2°
C26N19C20H2177.7°173.5°
N19C26H5H6120.1°120.4°
N19C26C25H2368.7°65.3°
N19C26C25H24172.1°174.6°
C13C28N27C150.1°0.0°
C13C28N27C03180.0°179.9°
C13C28C03C040.1°0.1°
C13C28C03O02179.9°180.0°
N16C15N27C28180.0°180.0°
C15N27C28C03179.9°179.9°
N27C15N16H256.1°180.0°
C05C04C03C280.1°0.1°
C05C04C03H10180.0°180.0°
C05C04C03O02180.0°180.0°
N27C28C03C04179.9°180.0°
N27C28C03O020.0°0.0°
C28C03C04O02179.9°179.9°
C28C03O02C01142.1°180.0°
C28C03C04H10179.9°179.9°
C04C03O02C0137.9°0.1°
C03C04C05H11180.0°180.0°
C03O02C01H7180.0°180.0°
C03O02C01H860.0°60.0°
C03O02C01H960.0°60.0°
O02C03C04H100.0°0.0°
O02C01H7H8120.0°120.0°
O02C01H7H9120.0°119.9°
O02C01H8H9120.0°120.0°
H1C20C21H354.4°174.9°
H1C20C21H4173.5°54.8°
H2C20C21H366.2°54.6°
H2C20C21H452.9°65.6°
H5C26C25H2351.2°54.4°
H5C26C25H2468.0°65.7°
H6C26C25H23171.3°174.8°
H6C26C25H2452.1°54.7°
H7C01H8H9120.0°120.0°
H10C04C05H110.0°0.0°
H12C08C09H1467.8°177.0°
H12C08C09H1551.6°57.0°
H13C08C09H1451.1°56.9°
H13C08C09H15170.5°63.2°
H16C11C12H1867.7°63.3°
H16C11C12H1951.3°56.9°
H17C11C12H1851.7°56.8°
H17C11C12H19170.7°177.0°
H20C23H21H22120.0°120.0°

223532

PDB entries from 2024-08-07

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