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A1IPR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1doub1.22Å1.25Å
C1O2sing1.35Å1.25Å
C1C2sing1.48Å1.50Å
C2C3doub1.40Å1.39ÅAromatic
C3C4sing1.38Å1.38ÅAromatic
C4C5doub1.40Å1.40ÅAromatic
C5C6sing1.48Å1.47Å
C6N1doub1.31Å1.32ÅAromatic
N1N2sing1.40Å1.39ÅAromatic
N2C7sing1.35Å1.40Å
C7O3doub1.22Å1.21Å
C7C8sing1.48Å1.49Å
C8C9doub1.40Å1.40ÅAromatic
C9CL1sing1.74Å1.75Å
C9C10sing1.38Å1.38ÅAromatic
C10C11doub1.38Å1.38ÅAromatic
C11C12sing1.38Å1.39ÅAromatic
C12C13doub1.38Å1.39ÅAromatic
C13C14sing1.51Å1.51Å
C14F1sing1.40Å1.33Å
C14F2sing1.40Å1.34Å
C14F3sing1.40Å1.34Å
N2C15sing1.38Å1.39ÅAromatic
C15C16doub1.39Å1.39ÅAromatic
C16C17sing1.38Å1.38ÅAromatic
C17C18sing1.51Å1.48Å
C18F4sing1.40Å1.33Å
C18F5sing1.40Å1.32Å
C18F6sing1.40Å1.32Å
C17C19doub1.39Å1.39ÅAromatic
C19C20sing1.37Å1.37ÅAromatic
C20C21doub1.40Å1.41ÅAromatic
C5C22sing1.40Å1.41ÅAromatic
C22O4sing1.36Å1.36Å
O4C23sing1.43Å1.44Å
C23C24sing1.51Å1.50Å
C24C25doub1.38Å1.38ÅAromatic
C25C26sing1.38Å1.39ÅAromatic
C26C27doub1.38Å1.38ÅAromatic
C27C28sing1.38Å1.37ÅAromatic
C28C29doub1.38Å1.39ÅAromatic
C22C30doub1.38Å1.38ÅAromatic
C2C30sing1.40Å1.39ÅAromatic
C6C21sing1.47Å1.44ÅAromatic
C24C29sing1.38Å1.39ÅAromatic
C8C13sing1.40Å1.40ÅAromatic
C15C21sing1.41Å1.40ÅAromatic
C3H1sing1.08Å1.08Å
C4H2sing1.08Å1.08Å
C10H3sing1.08Å1.08Å
C11H4sing1.08Å1.08Å
C12H5sing1.08Å1.08Å
C16H6sing1.08Å1.08Å
C19H7sing1.08Å1.08Å
C20H8sing1.08Å1.08Å
C23H9sing1.09Å1.10Å
C23H10sing1.09Å1.10Å
C25H11sing1.08Å1.08Å
C26H12sing1.08Å1.08Å
C27H13sing1.08Å1.08Å
C28H14sing1.08Å1.08Å
C29H15sing1.08Å1.08Å
C30H16sing1.08Å1.08Å
O2H17sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1O2124.0°120.0°
O1C1C2117.2°120.0°
O2C1C2118.5°120.0°
C1O2H17109.5°117.0°
C1C2C3121.0°120.0°
C1C2C30119.1°120.0°
C2C3C4119.6°120.1°
C3C2C30119.9°120.0°
C2C3H1120.2°120.0°
C3C4C5121.2°120.1°
C4C3H1120.2°119.9°
C3C4H2119.4°120.0°
C4C5C6118.1°120.0°
C4C5C22118.3°119.9°
C5C4H2119.4°120.0°
C5C6N1121.2°126.2°
C6C5C22121.7°120.0°
C5C6C21127.7°126.2°
C6N1N2107.5°110.0°
N1C6C21109.3°107.6°
N1N2C7123.3°125.4°
N1N2C15110.5°109.2°
N2C7O3120.5°120.0°
N2C7C8117.5°120.0°
C7N2C15126.0°125.4°
O3C7C8122.0°120.0°
C7C8C9118.9°120.1°
C7C8C13121.5°120.1°
C8C9CL1121.4°120.1°
C8C9C10121.0°119.8°
C9C8C13119.6°119.7°
CL1C9C10117.7°120.1°
C9C10C11119.2°120.2°
C9C10H3120.4°119.9°
C10C11C12120.6°120.3°
C11C10H3120.4°119.9°
C10C11H4119.7°119.8°
C11C12C13120.9°120.2°
C12C11H4119.7°119.9°
C11C12H5119.6°119.9°
C12C13C14119.0°120.1°
C12C13C8118.8°119.8°
C13C12H5119.6°119.9°
C13C14F1112.4°109.5°
C13C14F2112.8°109.5°
C13C14F3113.5°109.5°
C14C13C8122.2°120.1°
F1C14F2104.3°109.4°
F1C14F3106.9°109.5°
F2C14F3106.3°109.4°
N2C15C16133.0°133.7°
N2C15C21105.3°106.8°
C15C16C17118.0°119.7°
C16C15C21121.6°119.5°
C15C16H6121.0°120.1°
C16C17C18119.8°119.7°
C16C17C19121.2°120.6°
C17C16H6121.0°120.2°
C17C18F4116.4°109.5°
C17C18F5109.9°109.4°
C17C18F6111.5°109.4°
C18C17C19118.9°119.7°
F4C18F5106.7°109.5°
F4C18F6108.6°109.5°
F5C18F6102.9°109.5°
C17C19C20121.2°120.6°
C17C19H7119.4°119.7°
C19C20C21118.6°119.8°
C20C19H7119.4°119.7°
C19C20H8120.7°120.1°
C20C21C6133.7°133.8°
C20C21C15119.2°119.8°
C21C20H8120.7°120.1°
C5C22O4119.0°120.0°
C5C22C30120.1°119.9°
C22O4C23118.5°117.0°
O4C22C30120.7°120.0°
O4C23C24111.2°109.5°
O4C23H9109.0°109.5°
O4C23H10109.1°109.5°
C23C24C25120.4°120.1°
C23C24C29120.9°120.0°
C24C23H9109.1°109.5°
C24C23H10109.0°109.4°
C24C25C26120.6°120.0°
C25C24C29118.7°120.0°
C24C25H11119.7°120.0°
C25C26C27120.2°120.0°
C26C25H11119.7°120.0°
C25C26H12119.9°120.0°
C26C27C28119.7°120.0°
C27C26H12119.9°120.0°
C26C27H13120.1°120.0°
C27C28C29120.2°120.0°
C28C27H13120.2°120.0°
C27C28H14119.9°120.0°
C28C29C24120.6°120.0°
C29C28H14119.9°120.0°
C28C29H15119.7°120.0°
C22C30C2120.6°119.9°
C22C30H16119.7°120.0°
C2C30H16119.7°120.1°
C6C21C15107.1°106.4°
C24C29H15119.7°120.0°
H9C23H10109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1O2C2174.6°179.9°
O1C1C2C3169.3°180.0°
O1C1C2C3012.9°0.2°
O1C1O2H170.0°0.0°
O2C1C2C315.8°0.0°
O2C1C2C30162.0°179.7°
C1C2C3C30177.8°179.8°
C1C2C3C4178.9°179.7°
C1C2C30C22178.8°179.7°
C1C2C3H11.1°0.2°
C1C2C30H161.2°0.3°
C2C1O2H17174.6°180.0°
C2C3C4H1180.0°179.9°
C2C3C4C52.9°0.0°
C3C2C30C221.0°0.0°
C2C3C4H2177.1°180.0°
C3C2C30H16179.0°180.0°
C3C4C5H2180.0°179.9°
C3C4C5C6171.7°180.0°
C3C4C5C226.8°0.0°
C4C3C2C301.1°0.1°
C4C5C6C22164.3°180.0°
C4C5C6N136.8°133.5°
C4C5C22O4177.9°180.0°
C4C5C22C306.8°0.1°
C4C5C6C21126.3°46.4°
C5C4C3H1177.1°180.0°
C5C6N1C21165.9°179.9°
C5C6N1N2172.2°179.8°
C5C6C21C2011.8°0.0°
C6C5C22O413.6°0.1°
C6C5C22C30171.1°180.0°
C5C6C21C15169.5°179.9°
C6C5C4H28.4°0.1°
C6N1N2C7178.5°180.0°
C6N1N2C155.6°0.3°
N1C6C21C20176.5°180.0°
N1C6C5C22158.9°46.6°
N1C6C21C154.8°0.0°
N1N2C7C15175.1°179.6°
N1N2C7O3163.1°85.4°
N1N2C7C819.3°94.6°
N1N2C15C16177.8°179.9°
N2N1C6C216.3°0.2°
N1N2C15C212.6°0.3°
N2C7O3C8177.5°180.0°
N2C7C8C970.2°5.9°
C7N2C15C162.1°0.3°
N2C7C8C13110.2°173.4°
C7N2C15C21178.3°180.0°
O3C7C8C9107.4°174.1°
O3C7N2C1521.7°94.2°
O3C7C8C1372.2°6.6°
C7C8C9C13179.6°179.3°
C7C8C9CL10.3°0.1°
C7C8C9C10179.2°180.0°
C7C8C13C12179.1°179.7°
C7C8C13C140.1°0.3°
C8C7N2C15155.9°85.8°
C8C9CL1C10179.5°179.9°
C8C9C10C110.4°0.6°
C9C8C13C120.5°0.4°
C9C8C13C14179.5°179.7°
C8C9C10H3179.6°179.7°
CL1C9C10C11179.9°179.4°
CL1C9C8C13180.0°179.4°
CL1C9C10H30.1°0.2°
C9C10C11H3180.0°179.7°
C9C10C11C120.5°0.3°
C10C9C8C130.4°0.6°
C9C10C11H4179.6°179.7°
C10C11C12H4180.0°179.9°
C10C11C12C130.6°0.0°
C10C11C12H5179.4°179.9°
C11C12C13H5180.0°180.0°
C11C12C13C14179.7°180.0°
C11C12C13C80.6°0.0°
C12C11C10H3179.5°180.0°
C12C13C14C8179.0°180.0°
C12C13C14F195.4°0.0°
C12C13C14F222.2°120.0°
C12C13C14F3143.2°120.0°
C13C12C11H4179.4°180.0°
C13C14F1F2122.5°120.0°
C13C14F1F3125.1°120.1°
C13C14F2F3125.0°120.0°
C14C13C12H50.3°0.0°
F1C14F2F3112.8°120.0°
F1C14C13C883.6°180.0°
F2C14C13C8158.8°60.0°
F3C14C13C837.8°60.0°
N2C15C16C21179.6°179.7°
N2C15C16C17178.1°179.7°
N2C15C21C20179.9°179.8°
N2C15C21C61.2°0.2°
N2C15C16H61.9°0.3°
C15C16C17H6180.0°180.0°
C15C16C17C18176.9°179.9°
C15C16C17C192.8°0.0°
C16C15C21C200.4°0.0°
C16C15C21C6178.5°180.0°
C16C17C18C19179.7°180.0°
C16C17C18F4106.0°90.0°
C16C17C18F5132.6°150.0°
C16C17C18F619.3°30.0°
C16C17C19C201.4°0.1°
C17C16C15C212.3°0.0°
C16C17C19H7178.6°180.0°
C17C18F4F5123.0°120.0°
C17C18F4F6126.7°120.0°
C17C18F5F6118.8°119.9°
C18C17C19C20178.3°179.9°
C18C17C16H63.1°0.1°
C18C17C19H71.8°0.0°
F4C18F5F6114.2°120.1°
F4C18C17C1974.3°90.0°
F5C18C17C1947.1°30.0°
F6C18C17C19160.4°150.0°
C17C19C20H7180.0°179.9°
C17C19C20C210.6°0.0°
C19C17C16H6177.2°179.9°
C17C19C20H8179.4°180.0°
C19C20C21H8180.0°180.0°
C19C20C21C6179.6°180.0°
C19C20C21C151.0°0.0°
C20C21C6C15178.7°180.0°
C21C20C19H7179.4°180.0°
C5C22O4C30175.3°179.9°
C5C22O4C23145.8°174.8°
C5C22C30C23.0°0.0°
C22C5C6C2138.1°133.5°
C22C5C4H2173.2°179.9°
C5C22C30H16177.0°180.0°
C22O4C23C24165.3°175.1°
O4C22C30C2178.3°179.9°
C22O4C23H974.5°64.8°
C22O4C23H1045.1°55.1°
O4C22C30H161.7°0.1°
O4C23C24H9120.3°120.1°
O4C23C24H10120.2°120.0°
O4C23C24C25148.0°94.9°
C23O4C22C3029.5°5.3°
O4C23C24C2932.1°85.3°
O4C23H9H10119.2°120.0°
C23C24C25C29179.9°179.7°
C23C24C25C26179.8°180.0°
C23C24C29C28179.9°179.8°
C24C23H9H10119.2°119.9°
C23C24C25H110.2°0.1°
C23C24C29H150.1°0.0°
C24C25C26H11180.0°179.9°
C24C25C26C270.3°0.0°
C25C24C29C280.1°0.5°
C25C24C23H991.7°145.0°
C25C24C23H1027.8°25.1°
C24C25C26H12179.7°179.9°
C25C24C29H15179.9°179.7°
C25C26C27H12180.0°179.9°
C25C26C27C280.4°0.0°
C26C25C24C290.1°0.3°
C25C26C27H13179.6°180.0°
C26C27C28H13180.0°180.0°
C26C27C28C290.3°0.2°
C27C26C25H11179.7°179.9°
C26C27C28H14179.7°179.9°
C27C28C29H14180.0°179.8°
C27C28C29C240.1°0.5°
C28C27C26H12179.6°180.0°
C27C28C29H15179.9°179.7°
C28C29C24H15180.0°179.8°
C29C28C27H13179.7°179.8°
C22C30C2H16180.0°180.0°
C30C2C3H1178.9°180.0°
C6C21C20H80.4°0.0°
C29C24C23H988.2°34.7°
C29C24C23H10152.3°154.7°
C29C24C25H11179.8°179.8°
C24C29C28H14179.9°179.8°
C8C13C12H5179.3°179.9°
C21C15C16H6177.7°180.0°
C15C21C20H8179.0°180.0°
H1C3C4H22.9°0.1°
H3C10C11H40.4°0.1°
H4C11C12H50.6°0.0°
H7C19C20H80.6°0.1°
H11C25C26H120.3°0.0°
H12C26C27H130.4°0.1°
H13C27C28H140.3°0.0°
H14C28C29H150.1°0.0°

250835

PDB entries from 2026-03-18

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