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AUI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C12C14sing1.51Å1.53Å
C12C2sing1.51Å1.51Å
C14C15doub1.31Å1.36Å
C11C3sing1.51Å1.52Å
C24C23sing1.51Å1.49Å
C27C19sing1.51Å1.51Å
C22C21sing1.51Å1.51Å
C22C23doub1.31Å1.36Å
C17C16sing1.53Å1.53Å
C17C18sing1.51Å1.50Å
C16C15sing1.51Å1.51Å
C2C3doub1.35Å1.50Å
C2C1sing1.41Å1.50Å
C21C20sing1.53Å1.53Å
C21O28sing1.43Å1.42Å
C23C25sing1.51Å1.52Å
C15C26sing1.51Å1.52Å
C19C18doub1.31Å1.35Å
C19C20sing1.51Å1.51Å
C3N10sing1.35Å1.35Å
O13C1doub1.22Å1.25Å
C1C4sing1.47Å1.48Å
N10C9sing1.38Å1.37Å
C4C9doub1.41Å1.49ÅAromatic
C4C5sing1.39Å1.39ÅAromatic
C9C8sing1.39Å1.39ÅAromatic
C5C6doub1.37Å1.39ÅAromatic
C8C7doub1.38Å1.40ÅAromatic
C6C7sing1.39Å1.40ÅAromatic
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
C7H3sing1.08Å1.08Å
C8H4sing1.08Å1.08Å
C11H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C11H7sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C14H11sing1.08Å1.08Å
C26H12sing1.09Å1.10Å
C26H13sing1.09Å1.10Å
C26H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H18sing1.09Å1.10Å
C18H19sing1.08Å1.08Å
C27H20sing1.09Å1.10Å
C27H21sing1.09Å1.10Å
C27H22sing1.09Å1.10Å
C20H23sing1.09Å1.10Å
C20H24sing1.09Å1.10Å
C21H25sing1.09Å1.10Å
O28H26sing0.97Å0.95Å
C22H27sing1.08Å1.08Å
C24H28sing1.09Å1.10Å
C24H29sing1.09Å1.10Å
C24H30sing1.09Å1.10Å
C25H31sing1.09Å1.10Å
C25H32sing1.09Å1.10Å
C25H33sing1.09Å1.10Å
N10H34sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C14C12C2108.6°109.5°
C12C14C15135.3°120.0°
C14C12H9109.7°109.4°
C14C12H10109.7°109.5°
C12C14H11112.4°120.0°
C12C2C3120.1°119.9°
C12C2C1120.7°120.0°
C2C12H9109.7°109.5°
C2C12H10109.7°109.5°
C14C15C16113.9°120.0°
C14C15C26126.6°120.0°
C15C14H11112.4°120.0°
C11C3C2119.3°118.8°
C11C3N10121.0°118.7°
C3C11H5109.5°109.5°
C3C11H6109.5°109.4°
C3C11H7109.5°109.5°
C24C23C22116.4°120.0°
C24C23C25115.2°120.0°
C23C24H28109.5°109.5°
C23C24H29109.5°109.5°
C23C24H30109.5°109.5°
C27C19C18124.9°120.0°
C27C19C20117.9°120.0°
C19C27H20109.5°109.5°
C19C27H21109.5°109.5°
C19C27H22109.5°109.5°
C21C22C23127.7°120.0°
C22C21C20116.7°109.5°
C22C21O28105.2°109.5°
C22C21H25109.3°109.5°
C21C22H27116.1°120.0°
C22C23C25128.4°120.0°
C23C22H27116.1°120.0°
C16C17C18113.6°109.5°
C17C16C15117.4°109.5°
C17C16H15107.4°109.5°
C17C16H16107.5°109.4°
C16C17H17108.4°109.5°
C16C17H18108.4°109.4°
C17C18C19126.1°120.0°
C18C17H17108.4°109.5°
C18C17H18108.4°109.5°
C17C18H19117.0°120.0°
C16C15C26119.5°120.0°
C15C16H15107.5°109.5°
C15C16H16107.5°109.5°
C3C2C1119.2°120.1°
C2C3N10119.6°122.5°
C2C1O13123.4°121.1°
C2C1C4117.8°117.8°
C20C21O28105.8°109.5°
C21C20C19115.6°109.5°
C21C20H23107.9°109.4°
C21C20H24107.9°109.5°
C20C21H25109.1°109.4°
O28C21H25110.6°109.5°
C21O28H26109.5°114.0°
C23C25H31109.5°109.5°
C23C25H32109.5°109.4°
C23C25H33109.5°109.4°
C15C26H12109.5°109.5°
C15C26H13109.5°109.5°
C15C26H14109.5°109.5°
C18C19C20117.1°120.0°
C19C18H19116.9°120.0°
C19C20H23107.9°109.5°
C19C20H24107.9°109.5°
C3N10C9123.7°121.6°
C3N10H34118.2°119.2°
O13C1C4118.7°121.1°
C1C4C9117.1°118.4°
C1C4C5120.7°121.5°
N10C9C4122.5°119.6°
N10C9C8121.6°121.2°
C9N10H34118.2°119.2°
C9C4C5122.1°120.1°
C4C9C8115.9°119.3°
C4C5C6120.0°119.7°
C4C5H1120.0°120.1°
C9C8C7120.0°119.7°
C9C8H4120.0°120.1°
C5C6C7117.6°120.5°
C6C5H1120.0°120.2°
C5C6H2121.2°119.8°
C8C7C6124.3°120.7°
C8C7H3117.8°119.6°
C7C8H4120.0°120.1°
C7C6H2121.2°119.7°
C6C7H3117.8°119.7°
H5C11H6109.5°109.4°
H5C11H7109.4°109.5°
H6C11H7109.5°109.5°
H9C12H10109.5°109.5°
H12C26H13109.5°109.4°
H12C26H14109.5°109.4°
H13C26H14109.5°109.5°
H15C16H16109.5°109.5°
H17C17H18109.5°109.5°
H20C27H21109.5°109.4°
H20C27H22109.4°109.5°
H21C27H22109.5°109.4°
H23C20H24109.5°109.5°
H28C24H29109.5°109.5°
H28C24H30109.4°109.4°
H29C24H30109.5°109.5°
H31C25H32109.4°109.5°
H31C25H33109.5°109.5°
H32C25H33109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C14C12C2H9119.9°119.9°
C14C12C2H10119.9°120.0°
C12C14C15H11180.0°180.0°
C12C14C15C16179.5°178.8°
C14C12C2C367.2°95.0°
C14C12C2C1111.6°85.5°
C12C14C15C261.4°1.2°
C14C12H9H10120.4°120.0°
C2C12C14C1552.9°119.9°
C12C2C3C110.7°0.2°
C12C2C3C1178.8°179.5°
C12C2C3N10178.9°179.9°
C12C2C1O130.1°0.3°
C12C2C1C4179.7°180.0°
C2C12H9H10120.4°120.1°
C2C12C14H11127.1°60.1°
C14C15C16C17117.7°95.0°
C14C15C16C26178.3°180.0°
C15C14C12H9172.7°0.1°
C15C14C12H1067.0°120.1°
C14C15C26H12180.0°84.4°
C14C15C26H1360.0°155.6°
C14C15C26H1460.0°35.6°
C14C15C16H15121.2°145.0°
C14C15C16H163.5°25.0°
C11C3C2N10179.6°179.8°
C11C3C2C1179.5°179.7°
C11C3N10C9179.5°180.0°
C3C11H5H6120.0°119.9°
C3C11H5H7120.0°120.1°
C3C11H6H7120.0°120.0°
C11C3N10H340.5°0.1°
C24C23C22C21178.2°179.7°
C24C23C22C25179.3°180.0°
C24C23C22H271.8°0.3°
C23C24H28H29120.0°120.0°
C23C24H28H30120.0°120.0°
C23C24H29H30120.0°120.0°
C24C23C25H31180.0°95.9°
C24C23C25H3260.0°24.2°
C24C23C25H3360.0°144.2°
C27C19C18C172.5°1.8°
C27C19C20C2197.2°84.9°
C27C19C18C20177.0°179.9°
C27C19C18H19177.5°178.2°
C19C27H20H21120.0°120.0°
C19C27H20H22120.0°120.0°
C19C27H21H22120.0°120.0°
C27C19C20H23141.9°35.0°
C27C19C20H2423.7°155.0°
C21C22C23H27180.0°180.0°
C22C21C20O28116.6°120.0°
C22C21C20H25124.4°120.0°
C22C21O28H25117.9°120.0°
C21C22C23C252.5°0.2°
C22C21C20C1952.7°175.0°
C22C21C20H2368.2°65.0°
C22C21C20H24173.7°55.0°
C22C21O28H26180.0°60.0°
C23C22C21C20101.5°124.6°
C23C22C21O2815.4°115.4°
C23C22C21H25134.2°4.6°
C22C23C24H28180.0°90.0°
C22C23C24H2960.0°150.0°
C22C23C24H3060.0°30.0°
C22C23C25H310.6°84.2°
C22C23C25H32119.4°155.8°
C22C23C25H33120.6°35.8°
C16C17C18H17120.6°120.0°
C16C17C18H18120.6°120.0°
C17C16C15H15121.1°120.0°
C17C16C15H16121.2°120.0°
C17C16C15C2664.0°85.0°
C16C17C18C19165.8°119.1°
C17C16H15H16116.4°120.0°
C16C17H17H18118.1°120.0°
C16C17C18H1914.2°61.0°
C18C17C16C1517.0°180.0°
C17C18C19H19180.0°179.9°
C17C18C19C20179.5°178.2°
C18C17C16H15104.1°60.0°
C18C17C16H16138.2°60.0°
C18C17H17H18118.1°120.0°
C16C15C14H110.5°1.1°
C16C15C26H121.9°95.6°
C16C15C26H13118.0°24.4°
C16C15C26H14121.9°144.4°
C15C16H15H16116.4°120.0°
C15C16C17H17103.6°60.0°
C15C16C17H18137.6°60.0°
C3C2C1O13178.7°179.8°
C3C2C1C40.9°0.5°
C2C3N10C90.9°0.2°
C2C3C11H5180.0°179.7°
C2C3C11H660.0°59.8°
C2C3C11H760.0°60.2°
C3C2C12H952.7°145.1°
C3C2C12H10172.9°25.0°
C2C3N10H34179.1°179.7°
C1C2C3N100.1°0.5°
C2C1O13C4179.6°179.7°
C2C1C4C90.8°0.3°
C2C1C4C5178.5°179.7°
C1C2C12H9128.5°34.4°
C1C2C12H108.3°154.5°
C20C21O28H25118.0°120.0°
C21C20C19C1885.6°95.0°
C21C20C19H23120.9°119.9°
C21C20C19H24120.9°120.0°
C21C20H23H24117.2°120.0°
C20C21O28H2655.9°60.0°
C20C21C22H2778.5°55.5°
O28C21C20C19169.3°64.9°
O28C21C20H2348.4°55.0°
O28C21C20H2469.8°175.0°
O28C21C22H27164.6°64.6°
C25C23C22H27177.5°179.7°
C25C23C24H280.6°90.0°
C25C23C24H29119.4°30.0°
C25C23C24H30120.5°150.0°
C23C25H31H32120.0°120.0°
C23C25H31H33120.0°120.0°
C23C25H32H33120.0°119.9°
C26C15C14H11178.6°178.8°
C15C26H12H13120.0°120.0°
C15C26H12H14120.0°120.0°
C15C26H13H14120.0°120.1°
C26C15C16H1557.1°35.0°
C26C15C16H16174.8°155.0°
C19C18C17H1745.2°0.9°
C19C18C17H1873.6°121.0°
C18C19C27H20180.0°84.7°
C18C19C27H2160.0°155.3°
C18C19C27H2260.0°35.3°
C18C19C20H2335.3°145.1°
C18C19C20H24153.5°25.0°
C20C19C18H190.5°1.7°
C20C19C27H203.0°95.3°
C20C19C27H21123.0°24.7°
C20C19C27H22117.0°144.7°
C19C20H23H24117.2°120.1°
C19C20C21H2571.7°55.1°
C3N10C9H34180.0°179.9°
C3N10C9C41.0°0.0°
C3N10C9C8179.8°179.9°
N10C3C11H50.4°0.1°
N10C3C11H6119.6°120.0°
N10C3C11H7120.4°120.0°
O13C1C4C9178.8°180.0°
O13C1C4C51.1°0.1°
C1C4C9N100.1°0.1°
C1C4C9C5177.7°179.9°
C1C4C9C8179.0°180.0°
C1C4C5C6179.1°180.0°
C1C4C5H10.9°0.0°
N10C9C4C8178.9°180.0°
N10C9C4C5177.6°180.0°
N10C9C8C7178.1°180.0°
N10C9C8H41.9°0.1°
C9C4C5C61.5°0.0°
C4C9C8C70.8°0.1°
C9C4C5H1178.5°179.9°
C4C9C8H4179.2°180.0°
C4C9N10H34179.0°179.9°
C5C4C9C81.3°0.0°
C4C5C6H1180.0°179.9°
C4C5C6C71.1°0.0°
C4C5C6H2178.9°180.0°
C9C8C7H4180.0°179.9°
C9C8C7C60.5°0.1°
C9C8C7H3179.5°179.9°
C8C9N10H340.2°0.0°
C5C6C7C80.6°0.0°
C5C6C7H2180.0°180.0°
C5C6C7H3179.4°180.0°
C8C7C6H3180.0°180.0°
C8C7C6H2179.4°180.0°
C7C6C5H1178.9°179.9°
C6C7C8H4179.5°180.0°
H1C5C6H21.0°0.1°
H2C6C7H30.5°0.0°
H3C7C8H40.5°0.0°
H5C11H6H7120.0°120.0°
H9C12C14H117.2°179.9°
H10C12C14H11113.0°59.9°
H12C26H13H14120.0°119.9°
H15C16C17H17135.3°180.0°
H15C16C17H1816.5°60.0°
H16C16C17H1717.6°60.0°
H16C16C17H18101.2°180.0°
H17C17C18H19134.8°179.0°
H18C17C18H19106.4°59.0°
H20C27H21H22120.0°120.0°
H23C20C21H25167.4°175.0°
H24C20C21H2549.2°65.0°
H25C21O28H2662.1°180.0°
H25C21C22H2745.8°175.4°
H28C24H29H30119.9°119.9°
H31C25H32H33120.0°120.1°

224931

PDB entries from 2024-09-11

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