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12S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17C14sing1.51Å1.53Å
C14C15doub1.38Å1.38ÅAromatic
C14C13sing1.39Å1.39ÅAromatic
C15C16sing1.39Å1.40ÅAromatic
C13C12doub1.38Å1.40ÅAromatic
C16N16sing1.39Å1.37Å
C16N11doub1.32Å1.35ÅAromatic
C12N11sing1.32Å1.36ÅAromatic
C12C18sing1.51Å1.54Å
C19C18sing1.53Å1.53Å
C19C3sing1.51Å1.52Å
C2C3doub1.38Å1.41ÅAromatic
C2C1sing1.38Å1.41ÅAromatic
C7C1sing1.51Å1.52Å
C7C8sing1.53Å1.54Å
C3C4sing1.38Å1.41ÅAromatic
C1C6doub1.38Å1.40ÅAromatic
N10C9sing1.47Å1.46Å
C8C9sing1.53Å1.54Å
C4C5doub1.38Å1.40ÅAromatic
C6C5sing1.38Å1.39ÅAromatic
C5C29sing1.51Å1.52Å
C29C28sing1.53Å1.53Å
C28C22sing1.51Å1.53Å
C22N21doub1.32Å1.38ÅAromatic
C22C23sing1.38Å1.40ÅAromatic
N21C26sing1.32Å1.37ÅAromatic
C23C24doub1.39Å1.40ÅAromatic
C26N26sing1.39Å1.36Å
C26C25doub1.39Å1.41ÅAromatic
C24C25sing1.38Å1.40ÅAromatic
C24C27sing1.51Å1.50Å
N26H1sing0.97Å1.00Å
N26H2sing0.97Å1.00Å
C25H3sing1.08Å1.08Å
C27H4sing1.09Å1.10Å
C27H5sing1.09Å1.10Å
C27H6sing1.09Å1.10Å
C23H7sing1.08Å1.08Å
C28H8sing1.09Å1.10Å
C28H9sing1.09Å1.10Å
C29H10sing1.09Å1.10Å
C29H11sing1.09Å1.10Å
C4H12sing1.08Å1.08Å
C6H13sing1.08Å1.08Å
C7H14sing1.09Å1.10Å
C7H15sing1.09Å1.10Å
C8H16sing1.09Å1.10Å
C8H17sing1.09Å1.10Å
C9H18sing1.09Å1.10Å
C9H19sing1.09Å1.10Å
N10H20sing1.01Å1.00Å
N10H21sing1.01Å1.00Å
C2H23sing1.08Å1.08Å
C19H24sing1.09Å1.10Å
C19H25sing1.09Å1.10Å
C18H26sing1.09Å1.10Å
C18H27sing1.09Å1.10Å
C13H28sing1.08Å1.08Å
N16H29sing0.97Å1.00Å
N16H30sing0.97Å1.00Å
C15H31sing1.08Å1.08Å
C17H32sing1.09Å1.10Å
C17H33sing1.09Å1.10Å
C17H34sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C17C14C15120.2°120.8°
C17C14C13120.4°120.7°
C14C17H32109.5°109.5°
C14C17H33109.5°109.5°
C14C17H34109.4°109.4°
C15C14C13119.3°118.5°
C14C15C16119.7°119.1°
C14C15H31120.1°120.4°
C14C13C12120.2°119.3°
C14C13H28120.0°120.4°
C15C16N16121.9°119.7°
C15C16N11119.8°120.6°
C16C15H31120.2°120.5°
C13C12N11118.8°120.8°
C13C12C18124.5°119.6°
C12C13H28119.9°120.3°
N16C16N11118.2°119.7°
C16N16H29109.5°119.9°
C16N16H30109.5°120.1°
C16N11C12122.2°121.7°
N11C12C18116.7°119.6°
C12C18C19120.5°109.4°
C12C18H26106.7°109.5°
C12C18H27106.7°109.5°
C18C19C3108.3°109.4°
C18C19H24109.8°109.5°
C18C19H25109.8°109.5°
C19C18H26106.6°109.5°
C19C18H27106.6°109.5°
C19C3C2121.1°120.0°
C19C3C4119.2°120.0°
C3C19H24109.8°109.5°
C3C19H25109.8°109.5°
C3C2C1119.4°120.0°
C2C3C4119.7°120.0°
C3C2H23120.3°120.0°
C2C1C7120.8°120.0°
C2C1C6119.7°120.0°
C1C2H23120.3°120.0°
C1C7C8113.6°109.4°
C7C1C6119.5°120.0°
C1C7H14108.4°109.5°
C1C7H15108.4°109.5°
C7C8C9116.6°109.4°
C8C7H14108.5°109.4°
C8C7H15108.4°109.5°
C7C8H16107.6°109.4°
C7C8H17107.6°109.5°
C3C4C5121.4°120.0°
C3C4H12119.3°120.0°
C1C6C5121.5°120.0°
C1C6H13119.2°120.0°
N10C9C8114.9°109.4°
N10C9H18108.1°109.5°
N10C9H19108.1°109.6°
C9N10H20109.5°111.0°
C9N10H21109.5°111.0°
C9C8H16107.7°109.4°
C9C8H17107.7°109.5°
C8C9H18108.1°109.4°
C8C9H19108.1°109.5°
C4C5C6118.4°120.0°
C4C5C29120.8°120.0°
C5C4H12119.3°120.0°
C6C5C29120.9°120.0°
C5C6H13119.2°120.0°
C5C29C28112.9°109.5°
C5C29H10108.6°109.4°
C5C29H11108.6°109.5°
C29C28C22114.4°109.5°
C29C28H8108.2°109.5°
C29C28H9108.2°109.5°
C28C29H10108.6°109.5°
C28C29H11108.6°109.5°
C28C22N21124.5°119.5°
C28C22C23116.5°119.6°
C22C28H8108.3°109.5°
C22C28H9108.2°109.4°
N21C22C23119.0°120.8°
C22N21C26121.2°121.6°
C22C23C24120.1°119.4°
C22C23H7120.0°120.3°
N21C26N26120.0°119.7°
N21C26C25121.0°120.6°
C23C24C25120.6°118.6°
C23C24C27118.0°120.8°
C24C23H7120.0°120.4°
N26C26C25118.9°119.7°
C26N26H1109.5°120.1°
C26N26H2109.4°120.0°
C26C25C24118.1°119.0°
C26C25H3121.0°120.5°
C25C24C27121.5°120.7°
C24C25H3120.9°120.5°
C24C27H4109.5°109.5°
C24C27H5109.5°109.4°
C24C27H6109.5°109.5°
H1N26H2109.4°120.0°
H4C27H5109.5°109.4°
H4C27H6109.4°109.5°
H5C27H6109.5°109.5°
H8C28H9109.4°109.5°
H10C29H11109.5°109.4°
H14C7H15109.5°109.5°
H16C8H17109.5°109.5°
H18C9H19109.5°109.5°
H20N10H21109.5°111.0°
H24C19H25109.5°109.5°
H26C18H27109.5°109.5°
H29N16H30109.5°120.0°
H32C17H33109.5°109.5°
H32C17H34109.5°109.5°
H33C17H34109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C17C14C15C13178.4°179.1°
C17C14C15C16179.6°179.9°
C17C14C13C12179.5°179.7°
C17C14C13H280.4°0.3°
C17C14C15H310.3°0.6°
C14C17H32H33120.0°120.0°
C14C17H32H34120.0°120.0°
C14C17H33H34120.0°120.0°
C14C15C16H31180.0°179.4°
C15C14C13C122.1°0.6°
C14C15C16N16179.3°179.5°
C14C15C16N110.2°0.6°
C15C14C13H28177.9°179.4°
C15C14C17H3290.8°89.9°
C15C14C17H33149.2°150.1°
C15C14C17H3429.2°30.1°
C13C14C15C162.0°0.8°
C14C13C12H28180.0°180.0°
C14C13C12N110.0°0.1°
C14C13C12C18178.7°179.7°
C13C14C15H31178.0°179.8°
C13C14C17H3290.8°89.2°
C13C14C17H3329.2°30.8°
C13C14C17H34149.1°150.8°
C15C16N16N11179.1°180.0°
C15C16N11C122.4°0.1°
C15C16N16H29179.2°179.9°
C15C16N16H3059.1°0.0°
C13C12N11C162.2°0.2°
C13C12N11C18178.8°179.8°
C13C12C18C191.5°125.3°
C13C12C18H26123.0°5.3°
C13C12C18H27120.1°114.8°
N16C16N11C12178.5°180.0°
C16N16H29H30120.0°179.9°
N16C16C15H310.7°0.0°
C16N11C12C18179.0°180.0°
N11C16N16H290.0°0.0°
N11C16N16H30120.0°180.0°
N11C16C15H31179.8°180.0°
N11C12C18C19177.3°55.0°
N11C12C18H2655.7°175.0°
N11C12C18H2761.2°65.0°
N11C12C13H28180.0°180.0°
C12C18C19H26121.6°120.0°
C12C18C19H27121.5°120.0°
C12C18C19C3168.0°180.0°
C12C18C19H2472.2°60.0°
C12C18C19H2548.2°60.0°
C12C18H26H27115.1°120.0°
C18C12C13H281.3°0.3°
C18C19C3H24119.8°120.0°
C18C19C3H25119.8°120.0°
C18C19C3C2114.6°90.0°
C18C19C3C464.2°89.7°
C18C19H24H25120.6°120.0°
C19C18H26H27115.0°120.0°
C19C3C2C4178.8°179.8°
C19C3C2C1179.0°180.0°
C19C3C4C5179.0°179.7°
C19C3C4H121.0°0.3°
C19C3C2H231.0°0.2°
C3C19H24H25120.5°120.0°
C3C19C18H2646.5°60.0°
C3C19C18H2770.4°60.0°
C3C2C1H23180.0°179.9°
C3C2C1C7179.9°179.7°
C3C2C1C60.1°0.2°
C2C3C4C50.2°0.0°
C2C3C4H12179.8°179.9°
C2C3C19H24125.6°150.0°
C2C3C19H255.2°30.0°
C2C1C7C6179.8°180.0°
C2C1C7C8174.3°90.0°
C1C2C3C40.2°0.2°
C2C1C6C50.4°0.0°
C2C1C6H13179.6°179.9°
C2C1C7H1465.1°29.9°
C2C1C7H1553.7°150.0°
C1C7C8H14120.6°119.9°
C1C7C8H15120.6°120.0°
C1C7C8C967.4°180.0°
C7C1C6C5179.8°179.9°
C7C1C6H130.2°0.0°
C1C7H14H15118.1°120.1°
C1C7C8H1653.6°60.1°
C1C7C8H17171.5°60.0°
C7C1C2H230.1°0.1°
C8C7C1C65.9°90.0°
C7C8C9N1028.3°180.0°
C7C8C9H16121.0°119.9°
C7C8C9H17121.0°120.0°
C8C7H14H15118.1°120.0°
C7C8H16H17116.7°120.1°
C7C8C9H18149.1°60.1°
C7C8C9H1992.5°59.9°
C3C4C5H12180.0°180.0°
C3C4C5C60.1°0.2°
C3C4C5C29179.6°180.0°
C4C3C2H23179.8°179.9°
C4C3C19H2455.6°30.3°
C4C3C19H25176.0°150.3°
C1C6C5C40.4°0.2°
C1C6C5H13180.0°179.9°
C1C6C5C29179.3°180.0°
C6C1C7H14114.7°150.1°
C6C1C7H15126.5°30.0°
C6C1C2H23179.9°179.9°
N10C9C8H18120.8°119.9°
N10C9C8H19120.8°120.1°
N10C9C8H16149.3°60.1°
N10C9C8H1792.8°60.0°
N10C9H18H19117.5°120.1°
C9N10H20H21120.0°123.9°
C9C8C7H14171.9°60.1°
C9C8C7H1553.1°59.9°
C9C8H16H17116.8°120.0°
C8C9H18H19117.5°120.0°
C8C9N10H20180.0°180.0°
C8C9N10H2160.0°56.1°
C4C5C6C29179.7°179.8°
C4C5C29C28154.0°90.0°
C4C5C29H1085.6°30.0°
C4C5C29H1133.5°150.0°
C4C5C6H13179.6°179.7°
C6C5C29C2826.4°90.2°
C6C5C29H1094.1°149.8°
C6C5C29H11146.9°29.8°
C6C5C4H12179.9°179.8°
C5C29C28H10120.5°120.0°
C5C29C28H11120.5°120.1°
C5C29C28C22168.2°179.9°
C5C29C28H847.4°60.0°
C5C29C28H971.1°60.0°
C5C29H10H11118.5°120.0°
C29C5C4H120.5°0.0°
C29C5C6H130.7°0.1°
C29C28C22H8120.8°120.0°
C29C28C22H9120.7°120.0°
C29C28C22N212.2°55.0°
C29C28C22C23178.1°124.4°
C29C28H8H9117.7°120.0°
C28C29H10H11118.4°120.0°
C28C22N21C23179.6°179.4°
C28C22N21C26179.8°180.0°
C28C22C23C24179.8°179.7°
C28C22C23H70.2°0.4°
C22C28H8H9117.8°120.0°
C22C28C29H1071.3°60.0°
C22C28C29H1147.7°60.0°
N21C22C23C240.6°0.3°
C22N21C26N26180.0°179.7°
C22N21C26C250.2°0.6°
N21C22C23H7179.4°179.8°
N21C22C28H8118.5°65.1°
N21C22C28H9123.0°175.0°
C23C22N21C260.2°0.6°
C22C23C24H7180.0°179.9°
C22C23C24C250.6°0.0°
C22C23C24C27179.9°180.0°
C23C22C28H861.2°115.5°
C23C22C28H957.4°4.4°
N21C26N26C25179.8°179.8°
N21C26C25C240.2°0.2°
N21C26N26H10.0°179.7°
N21C26N26H2120.0°0.5°
N21C26C25H3179.8°179.7°
C23C24C25C260.2°0.0°
C23C24C25C27179.5°180.0°
C23C24C25H3179.8°180.0°
C23C24C27H490.2°90.0°
C23C24C27H5149.8°30.0°
C23C24C27H629.8°150.0°
N26C26C25C24180.0°180.0°
C26N26H1H2120.0°179.8°
N26C26C25H30.0°0.0°
C26C25C24H3180.0°180.0°
C26C25C24C27179.8°180.0°
C25C26N26H1179.8°0.0°
C25C26N26H260.2°179.7°
C25C24C27H490.3°90.1°
C25C24C27H529.8°150.0°
C25C24C27H6149.8°30.0°
C25C24C23H7179.4°179.9°
C27C24C25H30.3°0.0°
C24C27H4H5120.0°119.9°
C24C27H4H6120.0°120.1°
C24C27H5H6120.0°120.0°
C27C24C23H70.1°0.1°
H4C27H5H6120.0°120.0°
H8C28C29H10167.9°180.0°
H8C28C29H1173.1°60.1°
H9C28C29H1049.4°60.0°
H9C28C29H11168.4°180.0°
H14C7C8H1667.0°180.0°
H14C7C8H1750.9°59.9°
H15C7C8H16174.2°60.0°
H15C7C8H1767.9°180.0°
H16C8C9H1889.9°180.0°
H16C8C9H1928.5°60.0°
H17C8C9H1828.0°60.0°
H17C8C9H19146.4°180.0°
H18C9N10H2059.2°60.1°
H18C9N10H2160.8°176.0°
H19C9N10H2059.2°60.0°
H19C9N10H21179.2°63.9°
H24C19C18H26166.3°180.0°
H24C19C18H2749.4°60.0°
H25C19C18H2673.3°60.0°
H25C19C18H27169.8°180.0°
H32C17H33H34120.0°120.0°

248636

PDB entries from 2026-02-04

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