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P6S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C21O20sing1.45Å1.44Å
C21C22sing1.51Å1.53Å
C22C27doub1.38Å1.39ÅAromatic
C22C23sing1.38Å1.40ÅAromatic
C24C25sing1.38Å1.38ÅAromatic
C24C23doub1.38Å1.39ÅAromatic
C26C27sing1.38Å1.39ÅAromatic
C26C25doub1.38Å1.39ÅAromatic
C19O20sing1.35Å1.37Å
C19O28doub1.21Å1.22Å
C21H7sing1.09Å1.10Å
C21H8sing1.09Å1.10Å
C24H9sing1.08Å1.08Å
C26H10sing1.08Å1.08Å
C23H20sing1.08Å1.08Å
C25H21sing1.08Å1.08Å
C27H22sing1.08Å1.08Å
C19OXTsing1.35Å1.38Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O20C21C22111.2°109.5°
C21O20C19119.3°117.0°
O20C21H7109.1°109.5°
O20C21H8109.1°109.4°
C21C22C27121.1°120.0°
C21C22C23122.5°120.0°
C22C21H7109.0°109.5°
C22C21H8109.0°109.5°
C27C22C23116.4°120.0°
C22C27C26122.2°120.0°
C22C27H22118.9°120.0°
C22C23C24121.4°120.0°
C22C23H20119.3°120.0°
C25C24C23121.3°120.0°
C24C25C26118.2°120.0°
C25C24H9119.3°120.0°
C24C25H21120.9°120.0°
C23C24H9119.4°120.0°
C24C23H20119.3°120.0°
C27C26C25120.5°119.9°
C27C26H10119.7°120.0°
C26C27H22118.9°119.9°
C25C26H10119.8°120.0°
C26C25H21120.9°120.0°
O20C19O28119.1°120.0°
O20C19OXT121.3°120.0°
O28C19OXT119.6°120.0°
H7C21H8109.4°109.4°
C19OXTHXT109.5°116.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O20C21C22H7120.3°120.0°
O20C21C22H8120.3°120.0°
O20C21C22C27152.5°90.0°
O20C21C22C2327.3°89.8°
C21O20C19O2835.2°0.1°
O20C21H7H8119.2°120.0°
C21O20C19OXT145.3°180.0°
C21C22C27C23179.8°179.8°
C21C22C23C24179.9°180.0°
C21C22C27C26179.8°180.0°
C22C21O20C19169.7°180.0°
C22C21H7H8119.2°120.0°
C21C22C23H200.1°0.0°
C21C22C27H220.2°0.1°
C27C22C23C240.3°0.2°
C22C27C26H22180.0°179.9°
C22C27C26C250.4°0.0°
C27C22C21H787.2°149.9°
C27C22C21H832.2°30.0°
C22C27C26H10179.6°179.9°
C27C22C23H20179.7°179.8°
C22C23C24C250.1°0.0°
C22C23C24H20180.0°180.0°
C23C22C27C260.0°0.2°
C23C22C21H793.0°30.3°
C23C22C21H8147.5°150.2°
C22C23C24H9179.9°179.8°
C23C22C27H22180.0°179.7°
C25C24C23H9180.0°179.8°
C24C25C26C270.6°0.2°
C24C25C26H21180.0°179.8°
C24C25C26H10179.4°179.7°
C25C24C23H20179.9°180.0°
C23C24C25C260.3°0.2°
C23C24C25H21179.7°180.0°
C27C26C25H10180.0°179.9°
C27C26C25H21179.4°180.0°
C26C25C24H9179.7°180.0°
C25C26C27H22179.6°179.9°
O20C19O28OXT179.5°179.9°
C19O20C21H770.0°59.9°
C19O20C21H849.4°60.0°
O20C19OXTHXT179.4°180.0°
O28C19OXTHXT0.0°0.1°
H9C24C23H200.1°0.2°
H9C24C25H210.3°0.2°
H10C26C25H210.6°0.1°
H10C26C27H220.4°0.0°

246704

PDB entries from 2025-12-24

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