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C3J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17C16sing1.53Å1.52Å
C17C18sing1.53Å1.53Å
C16N15sing1.47Å1.49Å
C18C19sing1.51Å1.51Å
N15C12sing1.40Å1.41Å
N15C20sing1.40Å1.40Å
C12C13sing1.39Å1.40ÅAromatic
C12C11doub1.38Å1.41ÅAromatic
C13C14doub1.38Å1.37ÅAromatic
C14C9sing1.39Å1.40ÅAromatic
C11C10sing1.39Å1.38ÅAromatic
C9C10doub1.40Å1.41ÅAromatic
C9N7sing1.38Å1.36ÅAromatic
C10C5sing1.47Å1.49ÅAromatic
N7C6sing1.35Å1.35ÅAromatic
C5C6doub1.36Å1.36ÅAromatic
C5C3sing1.47Å1.43Å
C3N2sing1.35Å1.35Å
C3O4doub1.22Å1.24Å
N2C1sing1.47Å1.48Å
C19C20doub1.39Å1.39ÅAromatic
C19C24sing1.38Å1.40ÅAromatic
C20C21sing1.39Å1.41ÅAromatic
C24C23doub1.39Å1.40ÅAromatic
C21C22doub1.38Å1.39ÅAromatic
C23C22sing1.39Å1.42ÅAromatic
C23C25sing1.48Å1.50Å
C22C31sing1.51Å1.50Å
C29C25doub1.36Å1.38ÅAromatic
C29N28sing1.35Å1.36ÅAromatic
C25C26sing1.41Å1.40ÅAromatic
F33C31sing1.40Å1.37Å
C31F32sing1.40Å1.39Å
N28C30sing1.47Å1.46Å
N28N27sing1.40Å1.36ÅAromatic
C26N27doub1.31Å1.30ÅAromatic
C14H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
C11H3sing1.08Å1.08Å
C13H4sing1.08Å1.08Å
N2H5sing0.97Å1.00Å
C1H6sing1.09Å1.10Å
C1H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
C16H9sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C17H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C21H15sing1.08Å1.08Å
C24H16sing1.08Å1.08Å
C26H17sing1.08Å1.08Å
C29H18sing1.08Å1.08Å
C30H19sing1.09Å1.10Å
C30H20sing1.09Å1.10Å
C30H21sing1.09Å1.10Å
C31H22sing1.09Å1.10Å
N7H23sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C16C17C18112.5°108.9°
C17C16N15112.1°107.8°
C17C16H9108.8°109.8°
C17C16H10108.8°109.9°
C16C17H11108.7°109.6°
C16C17H12108.7°109.6°
C17C18C19112.2°110.5°
C18C17H11108.7°109.6°
C18C17H12108.7°109.6°
C17C18H13108.8°109.3°
C17C18H14108.8°109.2°
C16N15C12116.7°120.5°
C16N15C20121.3°119.0°
N15C16H9108.8°109.8°
N15C16H10108.8°109.8°
C18C19C20123.5°121.5°
C18C19C24116.8°118.8°
C19C18H13108.8°109.3°
C19C18H14108.8°109.3°
C12N15C20121.3°120.5°
N15C12C13120.1°119.9°
N15C12C11116.8°119.9°
N15C20C19119.6°120.8°
N15C20C21119.5°119.0°
C13C12C11123.2°120.2°
C12C13C14121.6°120.5°
C12C13H4119.2°119.7°
C12C11C10116.5°119.6°
C12C11H3121.7°120.2°
C13C14C9114.5°120.1°
C13C14H1122.8°119.9°
C14C13H4119.2°119.8°
C14C9C10125.5°119.5°
C14C9N7128.2°133.1°
C9C14H1122.8°120.0°
C11C10C9118.6°120.2°
C11C10C5136.6°133.9°
C10C11H3121.7°120.3°
C10C9N7106.2°107.4°
C9C10C5104.8°105.9°
C9N7C6113.9°110.4°
C9N7H23123.0°124.7°
C10C5C6108.0°106.5°
C10C5C3129.5°126.7°
N7C6C5107.1°109.8°
N7C6H2126.4°125.1°
C6N7H23123.1°124.9°
C6C5C3122.4°126.8°
C5C6H2126.4°125.1°
C5C3N2118.0°120.0°
C5C3O4118.2°120.0°
N2C3O4123.4°120.0°
C3N2C1121.8°120.0°
C3N2H5119.1°120.0°
C1N2H5119.1°120.0°
N2C1H6109.5°109.5°
N2C1H7109.5°109.4°
N2C1H8109.5°109.4°
C20C19C24119.7°119.7°
C19C20C21120.8°120.2°
C19C24C23120.8°120.2°
C19C24H16119.6°119.9°
C20C21C22119.4°120.2°
C20C21H15120.3°119.9°
C24C23C22118.9°119.9°
C24C23C25117.6°120.0°
C23C24H16119.6°119.9°
C21C22C23120.3°119.7°
C21C22C31118.2°120.1°
C22C21H15120.3°119.9°
C22C23C25123.4°120.0°
C23C22C31121.4°120.2°
C23C25C29128.1°126.2°
C23C25C26125.9°126.2°
C22C31F33108.4°109.5°
C22C31F32111.1°109.5°
C22C31H22109.9°109.4°
C25C29N28106.7°107.6°
C29C25C26105.9°107.6°
C25C29H18126.7°126.2°
C29N28C30130.1°125.9°
C29N28N27109.7°108.2°
N28C29H18126.7°126.2°
C25C26N27109.8°108.1°
C25C26H17125.1°126.0°
F33C31F32104.3°109.5°
F33C31H22111.7°109.4°
F32C31H22111.4°109.5°
C30N28N27120.2°125.9°
N28C30H19109.5°109.5°
N28C30H20109.5°109.5°
N28C30H21109.4°109.4°
N28N27C26108.0°108.5°
N27C26H17125.1°125.9°
H6C1H7109.4°109.5°
H6C1H8109.5°109.5°
H7C1H8109.4°109.5°
H9C16H10109.5°109.8°
H11C17H12109.5°109.6°
H13C18H14109.5°109.2°
H19C30H20109.4°109.5°
H19C30H21109.5°109.4°
H20C30H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C16C17C18H11120.4°119.8°
C16C17C18H12120.4°119.9°
C17C16N15H9120.4°119.5°
C17C16N15H10120.4°119.6°
C16C17C18C1941.6°51.3°
C17C16N15C12157.0°135.3°
C17C16N15C2032.4°44.7°
C17C16H9H10118.8°120.9°
C16C17H11H12118.6°120.3°
C16C17C18H13162.0°171.6°
C16C17C18H1478.8°68.9°
C18C17C16N1549.7°63.2°
C17C18C19H13120.4°120.3°
C17C18C19H14120.4°120.2°
C17C18C19C2015.8°20.6°
C17C18C19C24163.0°159.4°
C18C17C16H970.6°56.3°
C18C17C16H10170.1°177.1°
C18C17H11H12118.6°120.3°
C17C18H13H14118.7°119.4°
C16N15C12C20170.6°180.0°
C16N15C12C13114.5°112.4°
C16N15C12C1165.5°67.1°
C16N15C20C195.7°13.5°
C16N15C20C21171.1°166.7°
N15C16H9H10118.8°120.8°
N15C16C17H1170.7°56.6°
N15C16C17H12170.2°176.9°
C18C19C20N153.0°0.4°
C18C19C20C24178.8°180.0°
C18C19C20C21179.7°179.8°
C18C19C24C23180.0°179.9°
C19C18C17H1178.8°68.5°
C19C18C17H12162.1°171.2°
C19C18H13H14118.7°119.5°
C18C19C24H160.0°0.2°
N15C12C13C11180.0°179.5°
N15C12C13C14177.0°180.0°
N15C12C11C10179.4°179.7°
C12N15C20C19175.9°166.5°
C12N15C20C210.8°13.3°
N15C12C11H30.6°0.2°
N15C12C13H43.0°0.5°
C12N15C16H982.6°105.2°
C12N15C16H1036.6°15.7°
C20N15C12C1374.9°67.6°
C20N15C12C11105.1°112.9°
N15C20C19C21176.7°179.8°
N15C20C19C24178.2°179.6°
N15C20C21C22177.3°179.7°
C20N15C16H988.0°74.8°
C20N15C16H10152.8°164.3°
N15C20C21H152.7°0.3°
C12C13C14H4180.0°179.5°
C12C13C14C92.9°0.1°
C13C12C11C100.6°0.8°
C12C13C14H1177.1°179.7°
C13C12C11H3179.4°179.7°
C11C12C13C143.0°0.5°
C12C11C10H3180.0°179.5°
C12C11C10C91.4°0.5°
C12C11C10C5179.8°179.5°
C11C12C13H4177.0°180.0°
C13C14C9H1180.0°179.6°
C13C14C9C100.9°0.3°
C13C14C9N7178.9°179.7°
C14C9C10C111.4°0.0°
C14C9C10N7179.8°180.0°
C14C9C10C5179.8°180.0°
C14C9N7C6179.7°180.0°
C9C14C13H4177.0°179.5°
C14C9N7H230.3°0.1°
C11C10C9C5178.8°179.9°
C11C10C9N7178.8°180.0°
C11C10C5C6178.6°180.0°
C11C10C5C34.9°0.0°
C10C9N7C60.1°0.0°
C9C10C5C60.1°0.0°
C9C10C5C3176.7°179.9°
C10C9C14H1179.1°179.9°
C9C10C11H3178.6°180.0°
C10C9N7H23179.9°179.9°
N7C9C10C50.0°0.0°
C9N7C6H23180.0°179.9°
C9N7C6C50.2°0.0°
N7C9C14H11.0°0.1°
C9N7C6H2179.9°180.0°
C10C5C6N70.1°0.0°
C10C5C6C3176.9°180.0°
C10C5C3N22.5°179.9°
C10C5C3O4175.1°0.0°
C10C5C6H2179.9°180.0°
C5C10C11H30.2°0.0°
N7C6C5H2180.0°180.0°
N7C6C5C3177.0°179.9°
C6C5C3N2173.6°0.1°
C6C5C3O41.0°180.0°
C5C6N7H23179.8°179.9°
C5C3N2O4172.2°179.9°
C5C3N2C1175.2°180.0°
C3C5C6H23.0°0.1°
C5C3N2H54.8°0.1°
C3N2C1H5180.0°179.9°
C3N2C1H6180.0°179.9°
C3N2C1H760.0°60.0°
C3N2C1H860.0°59.9°
O4C3N2C13.0°0.1°
O4C3N2H5177.0°180.0°
N2C1H6H7120.0°120.0°
N2C1H6H8120.0°120.0°
N2C1H7H8120.0°119.9°
C20C19C24C231.1°0.1°
C19C20C21C220.6°0.2°
C20C19C18H13136.2°140.9°
C20C19C18H14104.6°99.6°
C19C20C21H15179.4°179.8°
C20C19C24H16178.9°179.8°
C24C19C20C211.5°0.3°
C19C24C23H16180.0°179.9°
C19C24C23C220.2°0.1°
C19C24C23C25179.0°180.0°
C24C19C18H1342.6°39.1°
C24C19C18H1476.6°80.4°
C20C21C22H15180.0°180.0°
C20C21C22C230.7°0.0°
C20C21C22C31178.5°180.0°
C24C23C22C211.1°0.2°
C24C23C22C25179.2°179.9°
C24C23C22C31178.9°179.9°
C24C23C25C2940.7°50.3°
C24C23C25C26143.8°130.0°
C21C22C23C31177.8°179.9°
C21C22C23C25178.1°179.9°
C21C22C31F3323.0°150.0°
C21C22C31F3291.0°29.9°
C21C22C31H22145.3°90.1°
C22C23C25C29138.5°129.8°
C22C23C25C2636.9°49.9°
C23C22C31F33154.8°30.0°
C23C22C31F3291.1°150.0°
C23C22C21H15179.3°179.9°
C22C23C24H16179.8°180.0°
C23C22C31H2232.5°90.0°
C25C23C22C310.3°0.0°
C23C25C29C26176.2°179.8°
C23C25C29N28177.8°180.0°
C23C25C26N27177.4°180.0°
C25C23C24H161.0°0.1°
C23C25C26H172.6°0.0°
C23C25C29H182.2°0.0°
C22C31F33F32118.4°120.1°
C22C31F33H22121.2°119.9°
C22C31F32H22122.8°120.0°
C31C22C21H151.5°0.0°
C25C29N28H18180.0°179.9°
C25C29N28C30178.1°180.0°
C25C29N28N271.6°0.1°
C29C25C26N271.1°0.2°
C29C25C26H17178.9°179.8°
N28C29C25C261.6°0.2°
C29N28C30N27179.7°179.8°
C29N28N27C260.9°0.0°
C29N28C30H19179.7°90.0°
C29N28C30H2060.3°149.9°
C29N28C30H2159.7°29.9°
C25C26N27N280.1°0.1°
C25C26N27H17180.0°180.0°
C26C25C29H18178.4°179.7°
F33C31F32H22120.6°120.0°
C30N28N27C26178.8°179.9°
C30N28C29H181.9°0.1°
N28C30H19H20120.0°120.0°
N28C30H19H21120.0°119.9°
N28C30H20H21120.0°119.9°
N28N27C26H17179.9°179.9°
N27N28C29H18178.4°179.8°
N27N28C30H190.0°90.2°
N27N28C30H20120.0°29.9°
N27N28C30H21120.0°149.9°
H1C14C13H42.9°0.2°
H2C6N7H230.2°0.0°
H5N2C1H60.1°0.0°
H5N2C1H7120.0°120.1°
H5N2C1H8120.0°120.0°
H6C1H7H8120.0°120.1°
H9C16C17H11168.9°176.1°
H9C16C17H1249.8°63.5°
H10C16C17H1149.7°63.0°
H10C16C17H1269.4°57.3°
H11C17C18H1341.6°51.8°
H11C17C18H14160.8°171.3°
H12C17C18H1377.5°68.5°
H12C17C18H1441.6°51.0°
H19C30H20H21120.0°120.0°

218853

PDB entries from 2024-04-24

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