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A1AO3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C25C18sing1.51Å1.50Å
C20C18doub1.39Å1.41ÅAromatic
C20C16sing1.37Å1.38ÅAromatic
C18C13sing1.36Å1.39ÅAromatic
C16C10doub1.40Å1.41ÅAromatic
C13C9doub1.41Å1.43ÅAromatic
C10C9sing1.40Å1.39ÅAromatic
C10S6sing1.76Å1.73ÅAromatic
C9C8sing1.45Å1.43ÅAromatic
S6C2sing1.75Å1.75ÅAromatic
C8C2doub1.32Å1.37ÅAromatic
C8C19sing1.51Å1.53Å
C2C7sing1.51Å1.51Å
O11C5doub1.21Å1.23Å
C17C4sing1.53Å1.55Å
C5C1sing1.40Å1.45Å
C5C4sing1.50Å1.53Å
C1C7sing1.51Å1.52Å
C1C3doub1.34Å1.36Å
C7C14sing1.51Å1.53Å
C4C3sing1.50Å1.52Å
C4C12sing1.51Å1.51Å
C3O15sing1.35Å1.35Å
C24C14doub1.38Å1.40ÅAromatic
C24C29sing1.38Å1.40ÅAromatic
C22C12doub1.38Å1.40ÅAromatic
C22C27sing1.38Å1.40ÅAromatic
C14C23sing1.38Å1.41ÅAromatic
C12C21sing1.38Å1.40ÅAromatic
C27C31doub1.38Å1.40ÅAromatic
C29C30doub1.38Å1.40ÅAromatic
C23C26doub1.38Å1.41ÅAromatic
C21C28doub1.38Å1.39ÅAromatic
C31C28sing1.38Å1.40ÅAromatic
C30C26sing1.38Å1.40ÅAromatic
C23H1sing1.08Å1.08Å
C28H2sing1.08Å1.08Å
O15H3sing0.97Å0.95Å
C17H4sing1.09Å1.10Å
C17H5sing1.09Å1.10Å
C17H6sing1.09Å1.10Å
C22H7sing1.08Å1.08Å
C27H8sing1.08Å1.08Å
C31H9sing1.08Å1.08Å
C21H10sing1.08Å1.08Å
C7H11sing1.09Å1.10Å
C24H12sing1.08Å1.08Å
C29H13sing1.08Å1.08Å
C30H14sing1.08Å1.08Å
C26H15sing1.08Å1.08Å
C19H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C13H19sing1.08Å1.08Å
C25H20sing1.09Å1.10Å
C25H21sing1.09Å1.10Å
C25H22sing1.09Å1.10Å
C20H23sing1.08Å1.08Å
C16H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C25C18C20118.8°119.7°
C25C18C13119.2°119.7°
C18C25H20109.5°109.5°
C18C25H21109.5°109.5°
C18C25H22109.5°109.5°
C18C20C16120.3°120.1°
C20C18C13121.9°120.6°
C18C20H23119.8°120.0°
C20C16C10118.4°120.2°
C16C20H23119.9°119.9°
C20C16H24120.8°119.9°
C18C13C9117.8°120.5°
C18C13H19121.1°119.8°
C16C10C9122.0°119.7°
C16C10S6125.8°130.6°
C10C16H24120.8°119.8°
C13C9C10119.6°118.8°
C13C9C8129.0°129.4°
C9C13H19121.1°119.7°
C9C10S6112.3°109.6°
C10C9C8111.5°111.8°
C10S6C291.4°92.2°
C9C8C2113.4°114.9°
C9C8C19118.7°122.5°
S6C2C8111.5°111.5°
S6C2C7120.5°124.3°
C2C8C19127.9°122.6°
C8C2C7128.0°124.2°
C8C19H16109.5°109.5°
C8C19H17109.5°109.5°
C8C19H18109.5°109.5°
C2C7C1116.8°109.5°
C2C7C14115.9°109.5°
C2C7H11106.1°109.5°
O11C5C1136.0°134.6°
O11C5C4132.1°134.7°
C17C4C5116.9°114.2°
C17C4C3114.7°114.2°
C17C4C12111.6°113.3°
C4C17H4109.5°109.5°
C4C17H5109.5°109.4°
C4C17H6109.5°109.5°
C1C5C491.9°90.7°
C5C1C7136.4°133.4°
C5C1C390.3°93.2°
C5C4C381.5°83.2°
C5C4C12110.6°114.5°
C7C1C3133.3°133.4°
C1C7C14105.5°109.4°
C1C7H11105.9°109.5°
C1C3C496.4°92.9°
C1C3O15132.6°133.5°
C7C14C24124.8°120.0°
C7C14C23117.8°120.0°
C14C7H11105.8°109.5°
C3C4C12118.6°114.2°
C4C3O15131.0°133.6°
C4C12C22119.4°120.0°
C4C12C21120.7°120.0°
C3O15H3109.5°117.0°
C14C24C29120.7°120.0°
C24C14C23117.2°120.0°
C14C24H12119.7°120.0°
C24C29C30121.6°120.0°
C29C24H12119.6°120.0°
C24C29H13119.2°120.0°
C12C22C27120.9°120.0°
C22C12C21119.9°120.0°
C12C22H7119.5°120.1°
C22C27C31118.5°120.0°
C27C22H7119.6°120.0°
C22C27H8120.8°120.0°
C14C23C26122.0°120.0°
C14C23H1119.0°120.0°
C12C21C28119.7°120.0°
C12C21H10120.2°120.0°
C27C31C28121.5°120.0°
C31C27H8120.8°120.0°
C27C31H9119.3°120.0°
C29C30C26118.4°120.0°
C30C29H13119.2°120.0°
C29C30H14120.8°120.0°
C23C26C30119.9°120.0°
C26C23H1119.0°120.0°
C23C26H15120.0°120.0°
C21C28C31119.6°120.0°
C21C28H2120.2°120.0°
C28C21H10120.1°120.0°
C31C28H2120.2°120.0°
C28C31H9119.3°120.0°
C26C30H14120.8°120.0°
C30C26H15120.0°120.0°
H4C17H5109.5°109.5°
H4C17H6109.5°109.5°
H5C17H6109.4°109.5°
H16C19H17109.5°109.5°
H16C19H18109.4°109.5°
H17C19H18109.5°109.4°
H20C25H21109.5°109.5°
H20C25H22109.5°109.4°
H21C25H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C25C18C20C13179.5°179.9°
C25C18C20C16179.6°179.7°
C25C18C13C9180.0°179.9°
C25C18C13H190.0°0.1°
C18C25H20H21120.0°120.0°
C18C25H20H22120.0°120.0°
C18C25H21H22120.0°120.0°
C25C18C20H230.4°0.1°
C18C20C16H23180.0°179.8°
C18C20C16C100.2°0.5°
C20C18C13C90.5°0.0°
C20C18C13H19179.5°180.0°
C20C18C25H2089.8°90.0°
C20C18C25H21150.2°30.1°
C20C18C25H2230.2°150.1°
C18C20C16H24179.8°180.0°
C16C20C18C130.1°0.2°
C20C16C10H24180.0°179.5°
C20C16C10C90.8°0.5°
C20C16C10S6179.0°179.8°
C18C13C9H19180.0°180.0°
C18C13C9C101.0°0.0°
C18C13C9C8178.9°179.7°
C13C18C25H2089.8°90.0°
C13C18C25H2130.3°150.0°
C13C18C25H22150.2°30.0°
C13C18C20H23179.9°180.0°
C16C10C9C131.2°0.3°
C16C10C9S6179.8°179.8°
C16C10C9C8178.8°180.0°
C16C10S6C2178.5°179.9°
C10C16C20H23179.8°179.8°
C13C9C10C8180.0°179.7°
C13C9C10S6178.6°180.0°
C13C9C8C2179.7°179.7°
C13C9C8C190.4°0.4°
C9C10S6C21.7°0.3°
C10C9C8C20.3°0.0°
C10C9C8C19179.6°180.0°
C10C9C13H19179.0°180.0°
C9C10C16H24179.2°180.0°
S6C10C9C81.5°0.3°
C10S6C2C81.5°0.3°
C10S6C2C7179.3°180.0°
S6C10C16H241.0°0.3°
C9C8C2S60.9°0.2°
C9C8C2C19179.2°180.0°
C9C8C2C7180.0°180.0°
C9C8C19H1689.6°90.0°
C9C8C19H17150.3°30.1°
C9C8C19H1830.3°150.0°
C8C9C13H191.1°0.3°
S6C2C8C7179.1°179.7°
S6C2C8C19178.3°179.7°
S6C2C7C149.7°60.3°
S6C2C7C1475.5°59.7°
S6C2C7H11167.4°179.7°
C8C2C7C1129.3°120.0°
C8C2C7C14105.4°120.0°
C8C2C7H1111.6°0.0°
C2C8C19H1689.5°90.0°
C2C8C19H1730.5°149.9°
C2C8C19H18150.5°30.0°
C19C8C2C70.9°0.0°
C8C19H16H17120.0°120.0°
C8C19H16H18120.0°120.0°
C8C19H17H18120.0°119.9°
C2C7C1C554.4°59.6°
C2C7C1C14130.3°120.0°
C2C7C1H11117.8°120.1°
C2C7C1C3129.7°120.0°
C2C7C14H11117.2°120.0°
C2C7C14C2423.3°59.7°
C2C7C14C23161.2°120.0°
O11C5C4C1768.2°66.2°
O11C5C1C4177.9°180.0°
O11C5C1C71.2°0.0°
O11C5C1C3178.2°179.7°
O11C5C4C3178.3°179.7°
O11C5C4C1260.9°66.7°
C17C4C5C1113.8°113.7°
C17C4C5C3113.4°113.5°
C17C4C5C12129.2°132.9°
C17C4C3C1116.1°113.8°
C17C4C3C12135.4°132.7°
C17C4C3O1564.2°66.3°
C17C4C12C2238.3°132.9°
C17C4C12C21143.8°46.9°
C4C17H4H5120.0°120.0°
C4C17H4H6120.0°120.0°
C4C17H5H6120.0°120.0°
C5C1C7C3175.9°179.5°
C5C1C7C1475.9°60.4°
C1C5C4C30.3°0.2°
C1C5C4C12117.1°113.3°
C5C1C3O15180.0°179.8°
C5C1C7H11172.2°179.6°
C4C5C1C7176.7°179.9°
C5C4C3C12108.8°113.8°
C5C4C3O15180.0°179.8°
C5C4C12C2293.7°93.7°
C5C4C12C2184.2°86.5°
C5C4C17H4180.0°33.4°
C5C4C17H560.0°86.6°
C5C4C17H660.0°153.4°
C1C7C14H11111.9°120.0°
C7C1C3C4176.8°179.9°
C7C1C3O152.8°0.1°
C1C7C14C24107.6°60.3°
C1C7C14C2367.9°120.0°
C3C1C7C14100.0°120.1°
C1C3C4O15179.6°179.9°
C1C3C4C12108.5°113.5°
C1C3O15H3180.0°0.0°
C3C1C7H1111.9°0.1°
C7C14C24C23175.5°179.7°
C7C14C24C29178.5°179.7°
C7C14C23C26178.8°180.0°
C7C14C23H11.2°0.0°
C7C14C24H121.5°0.3°
C3C4C12C22174.9°0.2°
C3C4C12C217.1°180.0°
C4C3O15H30.5°179.9°
C3C4C17H487.1°60.0°
C3C4C17H532.9°180.0°
C3C4C17H6152.9°60.0°
C12C4C3O1571.2°66.4°
C4C12C22C21178.0°179.8°
C4C12C22C27178.7°180.0°
C4C12C21C28178.9°179.8°
C12C4C17H451.3°166.9°
C12C4C17H5171.3°46.9°
C12C4C17H668.7°73.1°
C4C12C22H71.3°0.0°
C4C12C21H101.1°0.0°
C14C24C29H12180.0°180.0°
C14C24C29C301.7°0.0°
C24C14C23C263.0°0.3°
C24C14C23H1177.0°179.8°
C24C14C7H11140.5°179.7°
C14C24C29H13178.3°180.0°
C29C24C14C233.0°0.0°
C24C29C30H13180.0°180.0°
C24C29C30C260.2°0.3°
C24C29C30H14179.8°179.9°
C12C22C27H7180.0°180.0°
C12C22C27C310.2°0.0°
C22C12C21C280.9°0.4°
C12C22C27H8179.8°180.0°
C22C12C21H10179.1°179.7°
C27C22C12C210.8°0.2°
C22C27C31H8180.0°180.0°
C22C27C31C280.3°0.0°
C22C27C31H9179.7°180.0°
C14C23C26H1180.0°180.0°
C14C23C26C301.7°0.6°
C23C14C7H1144.1°0.0°
C23C14C24H12177.0°180.0°
C14C23C26H15178.3°180.0°
C12C21C28H10180.0°179.8°
C12C21C28C310.5°0.4°
C12C21C28H2179.5°179.8°
C21C12C22H7179.2°179.8°
C27C31C28C210.1°0.2°
C27C31C28H9180.0°180.0°
C27C31C28H2179.9°180.0°
C31C27C22H7179.9°180.0°
C29C30C26C230.2°0.6°
C29C30C26H14180.0°179.6°
C30C29C24H12178.3°180.0°
C29C30C26H15179.8°180.0°
C23C26C30H15180.0°179.4°
C23C26C30H14179.8°179.8°
C21C28C31H2180.0°179.8°
C21C28C31H9179.9°179.8°
C28C31C27H8179.7°180.0°
C31C28C21H10179.5°179.8°
C30C26C23H1178.3°179.5°
C26C30C29H13179.8°179.7°
H1C23C26H151.7°0.0°
H2C28C31H90.1°0.0°
H2C28C21H100.5°0.0°
H4C17H5H6120.0°120.0°
H7C22C27H80.1°0.0°
H8C27C31H90.3°0.0°
H12C24C29H131.7°0.1°
H13C29C30H140.2°0.0°
H14C30C26H150.2°0.3°
H16C19H17H18120.0°120.0°
H20C25H21H22120.0°120.0°
H23C20C16H240.2°0.2°

251801

PDB entries from 2026-04-08

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