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8HW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13C12sing1.53Å1.52Å
C13O2sing1.43Å1.39Å
C12O1sing1.43Å1.43Å
O2C10sing1.36Å1.41Å
O1C11sing1.36Å1.43Å
C10C11doub1.39Å1.37ÅAromatic
C10C9sing1.38Å1.40ÅAromatic
C11C14sing1.39Å1.41ÅAromatic
C9C8doub1.39Å1.39ÅAromatic
C14C15doub1.38Å1.40ÅAromatic
C8C15sing1.39Å1.40ÅAromatic
C8C7sing1.48Å1.53Å
C6C5sing1.51Å1.51Å
C7C5doub1.39Å1.38ÅAromatic
C7C16sing1.39Å1.38ÅAromatic
C5C4sing1.38Å1.39ÅAromatic
C16C17doub1.38Å1.39ÅAromatic
C4C3sing1.51Å1.52Å
C4C18doub1.38Å1.38ÅAromatic
C17C18sing1.38Å1.38ÅAromatic
C3Osing1.43Å1.40Å
FCsing1.35Å1.36Å
C1Cdoub1.38Å1.39ÅAromatic
C1C2sing1.39Å1.38ÅAromatic
OC2sing1.36Å1.39Å
CC21sing1.38Å1.39ÅAromatic
C2C19doub1.39Å1.38ÅAromatic
C21C22sing1.51Å1.53Å
C21C20doub1.38Å1.39ÅAromatic
C19C20sing1.38Å1.38ÅAromatic
C19F1sing1.35Å1.36Å
C22Nsing1.47Å1.45Å
NC23sing1.47Å1.45Å
C23C24sing1.51Å1.53Å
O4C26doub1.21Å1.26Å
C24O3doub1.21Å1.19Å
C24C25sing1.51Å1.52Å
C26O5sing1.34Å1.26Å
C26C25sing1.51Å1.53Å
C20H1sing1.08Å1.08Å
C22H2sing1.09Å1.10Å
C22H3sing1.09Å1.10Å
NH4sing1.01Å1.00Å
C23H6sing1.09Å1.10Å
C23H7sing1.09Å1.10Å
C25H8sing1.09Å1.10Å
C25H9sing1.09Å1.10Å
O5H10sing0.97Å0.95Å
C1H11sing1.08Å1.08Å
C3H12sing1.09Å1.10Å
C3H13sing1.09Å1.10Å
C6H14sing1.09Å1.10Å
C6H15sing1.09Å1.10Å
C6H16sing1.09Å1.10Å
C16H17sing1.08Å1.08Å
C17H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
C9H20sing1.08Å1.08Å
C14H21sing1.08Å1.08Å
C15H22sing1.08Å1.08Å
C13H23sing1.09Å1.10Å
C13H24sing1.09Å1.10Å
C12H25sing1.09Å1.10Å
C12H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12C13O2109.9°108.3°
C13C12O1112.0°108.3°
C12C13H23109.4°109.8°
C12C13H24109.4°109.7°
C13C12H25108.9°109.7°
C13C12H26108.8°109.7°
C13O2C10115.3°116.7°
O2C13H23109.4°109.7°
O2C13H24109.4°109.7°
C12O1C11114.5°116.7°
O1C12H25108.8°109.7°
O1C12H26108.8°109.7°
O2C10C11122.5°120.8°
O2C10C9117.6°119.3°
O1C11C10119.9°120.7°
O1C11C14118.1°119.3°
C11C10C9119.9°119.9°
C10C11C14122.0°120.0°
C10C9C8119.4°120.0°
C10C9H20120.3°120.0°
C11C14C15117.7°120.2°
C11C14H21121.2°119.9°
C9C8C15120.7°119.8°
C9C8C7116.8°120.1°
C8C9H20120.3°120.0°
C14C15C8120.3°120.0°
C15C14H21121.2°119.9°
C14C15H22119.9°120.0°
C15C8C7122.5°120.1°
C8C15H22119.9°119.9°
C8C7C5123.0°120.1°
C8C7C16117.8°120.1°
C6C5C7122.1°120.1°
C6C5C4118.2°120.0°
C5C6H14109.5°109.5°
C5C6H15109.4°109.4°
C5C6H16109.5°109.5°
C5C7C16119.2°119.8°
C7C5C4119.6°119.9°
C7C16C17121.0°119.9°
C7C16H17119.5°120.1°
C5C4C3118.7°119.9°
C5C4C18121.5°120.1°
C16C17C18119.7°120.1°
C17C16H17119.5°120.1°
C16C17H18120.2°120.0°
C3C4C18119.9°120.0°
C4C3O103.8°109.5°
C4C3H12110.8°109.5°
C4C3H13110.9°109.5°
C4C18C17119.0°120.3°
C4C18H19120.5°119.9°
C18C17H18120.1°119.9°
C17C18H19120.5°119.9°
C3OC2114.4°117.1°
OC3H12110.9°109.5°
OC3H13110.9°109.5°
FCC1120.3°119.9°
FCC21119.0°120.0°
CC1C2119.0°119.9°
C1CC21120.7°120.0°
CC1H11120.5°120.1°
C1C2O121.4°120.0°
C1C2C19120.6°119.9°
C2C1H11120.5°120.0°
OC2C19118.0°120.1°
CC21C22119.1°119.9°
CC21C20120.1°120.1°
C2C19C20120.5°120.0°
C2C19F1118.7°120.0°
C22C21C20120.8°120.0°
C21C22N112.5°109.4°
C21C22H2108.7°109.5°
C21C22H3108.7°109.5°
C21C20C19119.1°120.1°
C21C20H1120.4°120.0°
C20C19F1120.8°120.1°
C19C20H1120.4°119.9°
C22NC23108.9°111.0°
NC22H2108.7°109.5°
NC22H3108.7°109.5°
C22NH4109.6°111.0°
NC23C24109.5°109.5°
C23NH4109.6°111.0°
NC23H6109.5°109.5°
NC23H7109.5°109.5°
C23C24O3121.4°120.0°
C23C24C25117.5°120.0°
C24C23H6109.5°109.4°
C24C23H7109.5°109.5°
O4C26O5120.4°120.0°
O4C26C25120.0°119.9°
O3C24C25121.1°120.0°
C24C25C26109.4°109.5°
C24C25H8109.5°109.5°
C24C25H9109.5°109.5°
O5C26C25119.7°120.0°
C26O5H10109.5°117.0°
C26C25H8109.5°109.5°
C26C25H9109.5°109.5°
H2C22H3109.5°109.5°
H6C23H7109.4°109.4°
H8C25H9109.5°109.5°
H12C3H13109.5°109.4°
H14C6H15109.4°109.5°
H14C6H16109.5°109.5°
H15C6H16109.5°109.4°
H23C13H24109.5°109.7°
H25C12H26109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C12C13O2H23120.1°119.7°
C12C13O2H24120.0°119.7°
C13C12O1H25120.4°119.7°
C13C12O1H26120.4°119.7°
C12C13O2C1045.3°46.2°
C13C12O1C1142.4°46.3°
C12C13H23H24119.8°120.6°
C13C12H25H26118.9°120.6°
O2C13C12O159.1°59.7°
C13O2C10C1117.7°17.3°
C13O2C10C9163.1°162.9°
O2C13H23H24119.8°120.6°
O2C13C12H2561.3°60.0°
O2C13C12H26179.5°179.4°
C12O1C11C1013.9°17.4°
C12O1C11C14165.8°162.7°
O1C12C13H2360.9°179.4°
O1C12C13H24179.2°59.9°
O1C12H25H26118.8°120.5°
O2C10C11O10.0°0.5°
O2C10C11C9179.2°179.8°
O2C10C11C14179.8°179.6°
O2C10C9C8180.0°179.6°
O2C10C9H200.0°0.3°
C10O2C13H2374.8°165.9°
C10O2C13H24165.3°73.5°
O1C11C10C14179.8°179.9°
O1C11C10C9179.2°179.7°
O1C11C14C15178.7°179.7°
O1C11C14H211.3°0.3°
C11O1C12H2578.0°73.5°
C11O1C12H26162.8°166.0°
C11C10C9C80.8°0.2°
C10C11C14C151.0°0.1°
C11C10C9H20179.2°179.8°
C10C11C14H21178.9°179.8°
C9C10C11C140.6°0.2°
C10C9C8H20180.0°180.0°
C10C9C8C151.4°0.0°
C10C9C8C7179.1°179.7°
C11C14C15H21180.0°180.0°
C11C14C15C81.7°0.0°
C11C14C15H22178.3°179.7°
C9C8C15C141.9°0.0°
C9C8C15C7177.5°179.7°
C9C8C7C5118.3°56.4°
C9C8C7C1661.8°123.7°
C9C8C15H22178.1°179.8°
C14C15C8H22180.0°179.7°
C14C15C8C7179.4°179.6°
C15C8C7C564.1°124.0°
C15C8C7C16115.8°56.0°
C15C8C9H20178.6°180.0°
C8C15C14H21178.3°180.0°
C8C7C5C60.6°0.1°
C8C7C5C16179.8°179.9°
C8C7C5C4179.9°179.9°
C8C7C16C17179.9°180.0°
C8C7C16H170.1°0.1°
C7C8C9H200.9°0.3°
C7C8C15H220.6°0.1°
C6C5C7C4179.3°180.0°
C6C5C7C16179.5°180.0°
C6C5C4C31.1°0.0°
C6C5C4C18179.8°179.7°
C5C6H14H15120.0°120.0°
C5C6H14H16120.0°120.0°
C5C6H15H16120.0°120.0°
C5C7C16C170.0°0.0°
C7C5C4C3179.6°180.0°
C7C5C4C180.5°0.3°
C7C5C6H1489.6°86.8°
C7C5C6H15150.4°33.2°
C7C5C6H1630.4°153.1°
C5C7C16H17180.0°180.0°
C16C7C5C40.3°0.0°
C7C16C17H17180.0°180.0°
C7C16C17C180.0°0.2°
C7C16C17H18180.0°180.0°
C5C4C3C18179.1°179.7°
C5C4C18C170.5°0.5°
C5C4C3O168.3°179.7°
C5C4C3H1249.2°60.3°
C5C4C3H1372.6°59.7°
C4C5C6H1489.6°93.2°
C4C5C6H1530.3°146.8°
C4C5C6H16150.3°26.9°
C5C4C18H19179.5°179.8°
C16C17C18C40.3°0.5°
C16C17C18H18180.0°179.8°
C16C17C18H19179.7°179.8°
C3C4C18C17179.6°179.8°
C4C3OH12119.1°120.0°
C4C3OH13119.1°120.1°
C4C3OC2177.6°180.0°
C4C3H12H13122.6°120.0°
C3C4C18H190.4°0.1°
C4C18C17H19180.0°179.7°
C18C4C3O10.8°0.0°
C18C4C3H12129.9°120.0°
C18C4C3H13108.3°120.0°
C4C18C17H18179.7°179.7°
C18C17C16H17180.0°179.8°
C3OC2C113.3°0.0°
C3OC2C19167.3°180.0°
OC3H12H13122.6°120.0°
FCC1C21179.8°179.2°
FCC1C2179.8°180.0°
FCC21C220.4°0.3°
FCC21C20179.4°179.7°
FCC1H110.2°0.8°
CC1C2H11180.0°179.2°
CC1C2O179.4°179.4°
CC1C2C190.0°0.5°
C1CC21C22179.5°179.4°
C1CC21C200.4°0.6°
C1C2OC19179.4°180.0°
C2C1CC210.1°0.8°
C1C2C19C200.3°0.0°
C1C2C19F1179.8°179.7°
OC2C19C20179.1°180.0°
OC2C19F10.8°0.3°
OC2C1H110.6°0.2°
C2OC3H1263.3°60.0°
C2OC3H1358.5°59.9°
CC21C22C20179.0°180.0°
CC21C20C190.8°0.0°
CC21C22N73.9°75.0°
CC21C20H1179.3°180.0°
CC21C22H246.5°45.0°
CC21C22H3165.7°165.0°
C21CC1H11179.9°179.9°
C2C19C20C210.7°0.3°
C2C19C20F1179.9°179.7°
C2C19C20H1179.3°179.7°
C19C2C1H11180.0°179.8°
C22C21C20C19179.8°180.0°
C21C22NH2120.5°120.0°
C21C22NH3120.4°120.0°
C21C22NC2354.2°180.0°
C22C21C20H10.3°0.0°
C21C22H2H3118.6°120.0°
C21C22NH465.7°56.0°
C21C20C19H1180.0°179.9°
C21C20C19F1179.4°180.0°
C20C21C22N107.1°105.0°
C20C21C22H2132.5°135.0°
C20C21C22H313.3°15.0°
F1C19C20H10.5°0.0°
C22NC23H4119.9°124.0°
C22NC23C2491.1°180.0°
NC22H2H3118.6°120.0°
C22NC23H628.9°60.0°
C22NC23H7148.9°60.0°
NC23C24H6120.0°120.0°
NC23C24H7120.0°120.0°
NC23C24O359.4°0.1°
NC23C24C25120.1°180.0°
C23NC22H2174.6°60.0°
C23NC22H366.3°60.0°
NC23H6H7120.0°120.0°
C23C24O3C25179.5°179.9°
C23C24C25C269.2°180.0°
C24C23NH4149.0°56.1°
C24C23H6H7120.0°120.0°
C23C24C25H8129.2°60.0°
C23C24C25H9110.7°60.0°
O4C26C25C2485.4°0.0°
O4C26O5C25179.4°180.0°
O4C26C25H834.5°120.0°
O4C26C25H9154.6°120.0°
O4C26O5H100.0°0.0°
O3C24C25C26170.3°0.0°
O3C24C23H660.6°120.1°
O3C24C23H7179.5°120.0°
O3C24C25H850.3°120.1°
O3C24C25H969.7°120.0°
C24C25C26O594.0°180.0°
C24C25C26H8120.0°120.0°
C24C25C26H9120.0°120.0°
C25C24C23H6119.9°60.0°
C25C24C23H70.1°60.0°
C24C25H8H9120.1°120.0°
O5C26C25H8146.1°60.0°
O5C26C25H926.0°60.0°
C26C25H8H9120.0°120.0°
C25C26O5H10179.4°180.0°
H2C22NH454.7°176.0°
H3C22NH4173.8°64.0°
H4NC23H691.0°176.1°
H4NC23H729.0°64.0°
H14C6H15H16120.0°120.0°
H17C16C17H180.0°0.0°
H18C17C18H190.3°0.0°
H21C14C15H221.7°0.3°
H23C13C12H25178.7°59.7°
H23C13C12H2659.5°60.9°
H24C13C12H2558.8°179.7°
H24C13C12H2660.5°59.8°

223166

PDB entries from 2024-07-31

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