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C72

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C02C01doub1.33Å1.39ÅAromatic
C01C05sing1.45Å1.43ÅAromatic
C01H01sing1.08Å1.08Å
C11C02sing1.48Å1.48ÅAromatic
S03C02sing1.75Å1.69ÅAromatic
S03C04sing1.76Å1.71ÅAromatic
C04C06doub1.42Å1.42ÅAromatic
C04C05sing1.40Å1.39ÅAromatic
C05C09doub1.42Å1.44ÅAromatic
C12C06sing1.47Å1.45Å
C06C07sing1.39Å1.36ÅAromatic
C07N08doub1.32Å1.31ÅAromatic
C07H07sing1.08Å1.08Å
C09N08sing1.32Å1.36ÅAromatic
C09N10sing1.38Å1.38Å
N10C13sing1.47Å1.47Å
N10HN10sing0.97Å1.00Å
C19C11doub1.40Å1.40ÅAromatic
C11C23sing1.40Å1.39ÅAromatic
O26C12doub1.22Å1.25Å
C12N25sing1.35Å1.39Å
C13C18sing1.53Å1.55Å
C13C14sing1.53Å1.56Å
C13H13sing1.09Å1.10Å
C14N15sing1.47Å1.50Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
N15C16sing1.47Å1.47Å
N15HN15sing1.01Å1.00Å
C17C16sing1.53Å1.54Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C18C17sing1.53Å1.54Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C20C19sing1.38Å1.39ÅAromatic
C19H19sing1.08Å1.08Å
C20C21doub1.39Å1.39ÅAromatic
C20H20sing1.08Å1.08Å
CL24C21sing1.74Å1.74Å
C21C22sing1.38Å1.39ÅAromatic
C22C23doub1.38Å1.40ÅAromatic
C22H22sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
N25HN25sing0.97Å1.00Å
N25HN2Asing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C02C01C05112.7°114.6°
C02C01H01123.6°122.8°
C01C02C11127.6°124.4°
C01C02S03111.0°111.2°
C05C01H01123.6°122.6°
C01C05C04111.7°111.9°
C01C05C09131.1°130.0°
C11C02S03121.3°124.4°
C02C11C19120.6°120.2°
C02C11C23119.3°120.1°
C02S03C0493.7°92.2°
S03C04C06128.0°131.4°
S03C04C05110.9°110.0°
C06C04C05121.1°118.6°
C04C06C12121.0°120.5°
C04C06C07117.0°119.0°
C04C05C09117.1°118.1°
C05C09N08118.8°121.0°
C05C09N10121.4°119.5°
C12C06C07121.9°120.5°
C06C12O26121.0°120.0°
C06C12N25116.9°120.0°
C06C07N08123.8°120.9°
C06C07H07118.1°119.6°
N08C07H07118.1°119.6°
C07N08C09121.8°122.5°
N08C09N10119.7°119.5°
C09N10C13119.5°120.0°
C09N10HN10106.2°120.0°
C13N10HN10106.3°120.0°
N10C13C18106.7°109.5°
N10C13C14110.4°109.5°
N10C13H13110.6°109.5°
C19C11C23120.2°119.7°
C11C19C20120.2°119.9°
C11C19H19119.9°120.0°
C11C23C22120.0°119.8°
C11C23H23120.0°120.0°
O26C12N25122.1°120.0°
C12N25HN25120.0°120.1°
C12N25HN2A120.0°120.0°
C18C13C14109.5°109.3°
C18C13H13111.6°109.5°
C13C18C17111.2°109.2°
C13C18H18108.9°109.6°
C13C18H18A108.9°109.5°
C14C13H13108.0°109.5°
C13C14N15109.4°109.5°
C13C14H14109.5°109.4°
C13C14H14A109.5°109.5°
N15C14H14109.5°109.4°
N15C14H14A109.5°109.5°
C14N15C16112.0°111.2°
C14N15HN15108.6°111.0°
H14C14H14A109.4°109.5°
C16N15HN15108.7°111.0°
N15C16C17110.3°109.5°
N15C16H16109.2°109.5°
N15C16H16A109.2°109.4°
C17C16H16109.2°109.5°
C17C16H16A109.2°109.5°
C16C17C18108.1°109.3°
C16C17H17109.9°109.5°
C16C17H17A109.9°109.5°
H16C16H16A109.7°109.5°
C18C17H17109.9°109.5°
C18C17H17A109.9°109.5°
C17C18H18108.9°109.6°
C17C18H18A108.9°109.5°
H17C17H17A109.0°109.5°
H18C18H18A110.0°109.5°
C20C19H19119.9°120.1°
C19C20C21119.0°120.2°
C19C20H20120.5°119.9°
C21C20H20120.5°119.9°
C20C21CL24119.0°119.9°
C20C21C22121.6°120.2°
CL24C21C22119.4°119.9°
C21C22C23119.0°120.2°
C21C22H22120.5°119.9°
C23C22H22120.5°119.9°
C22C23H23120.0°120.1°
HN25N25HN2A120.0°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C02C01C05H01180.0°179.8°
C01C02C11S03177.6°180.0°
C01C02S03C041.0°0.0°
C02C01C05C040.1°0.0°
C02C01C05C09177.1°179.8°
C01C02C11C19169.2°0.2°
C01C02C11C2310.8°180.0°
C05C01C02C11178.6°180.0°
C05C01C02S030.8°0.0°
C01C05C04S030.6°0.0°
C01C05C04C06178.5°179.9°
C01C05C04C09177.7°179.8°
C01C05C09N08178.2°179.9°
C01C05C09N101.8°0.0°
H01C01C02C111.4°0.2°
H01C01C02S03179.2°179.8°
H01C01C05C04179.9°179.8°
H01C01C05C092.9°0.0°
C11C02S03C04178.9°180.0°
C02C11C19C23180.0°179.8°
C02C11C19C20179.7°180.0°
C02C11C19H190.3°0.0°
C02C11C23C22179.3°179.7°
C02C11C23H230.7°0.1°
C02S03C04C06178.1°179.9°
C02S03C04C050.9°0.0°
S03C02C11C1913.2°179.8°
S03C02C11C23166.8°0.0°
S03C04C06C05178.9°179.9°
S03C04C05C09178.3°179.8°
S03C04C06C120.5°0.1°
S03C04C06C07179.3°179.9°
C06C04C05C090.8°0.1°
C04C06C12C07178.7°179.9°
C04C06C07N080.6°0.0°
C04C06C07H07179.5°179.9°
C04C06C12O269.4°0.0°
C04C06C12N25170.0°180.0°
C05C04C06C12179.5°180.0°
C05C04C06C071.7°0.0°
C04C05C09N084.7°0.3°
C04C05C09N10178.9°179.7°
C05C09N08C076.1°0.3°
C05C09N08N10176.5°179.9°
C05C09N10C13158.1°180.0°
C05C09N10HN1081.9°0.0°
C12C06C07N08179.3°180.0°
C12C06C07H070.7°0.0°
C06C12O26N25179.4°180.0°
C06C12N25HN25179.4°0.1°
C06C12N25HN2A0.6°180.0°
C06C07N08H07180.0°180.0°
C06C07N08C093.5°0.1°
C07C06C12O26169.3°180.0°
C07C06C12N2511.3°0.1°
C07N08C09N10177.4°179.7°
H07C07N08C09176.5°179.9°
N08C09N10C1325.5°0.1°
N08C09N10HN1094.5°180.0°
C09N10C13HN10120.0°180.0°
C09N10C13C18164.5°155.0°
C09N10C13C1476.6°85.2°
C09N10C13H1342.9°34.9°
N10C13C18C14119.6°119.9°
N10C13C18H13121.0°120.1°
N10C13C14H13121.1°120.1°
N10C13C14N15172.6°179.1°
N10C13C14H1452.6°59.2°
N10C13C14H14A67.4°60.8°
N10C13C18C17175.3°177.6°
N10C13C18H1864.6°62.4°
N10C13C18H18A55.3°57.7°
HN10N10C13C1844.5°25.0°
HN10N10C13C14163.5°94.9°
HN10N10C13H1377.1°145.1°
C11C19C20H19180.0°180.0°
C11C19C20C210.3°0.1°
C11C19C20H20179.7°180.0°
C19C11C23C220.7°0.5°
C19C11C23H23179.3°179.7°
C23C11C19C200.3°0.2°
C23C11C19H19179.7°179.8°
C11C23C22C211.1°0.6°
C11C23C22H23180.0°179.8°
C11C23C22H22178.9°179.8°
O26C12N25HN250.0°179.9°
O26C12N25HN2A180.0°0.1°
C12N25HN25HN2A180.0°179.9°
C18C13C14H13121.7°119.9°
C18C13C14N1555.3°59.1°
C18C13C14H1464.7°60.8°
C18C13C14H14A175.3°179.2°
C13C18C17C1657.2°57.6°
C13C18C17H18120.0°120.0°
C13C18C17H18A120.0°119.9°
C13C18C17H17177.2°177.6°
C13C18C17H17A62.8°62.3°
C13C18H18H18A119.3°120.1°
C13C14N15H14120.0°120.0°
C13C14N15H14A120.0°120.1°
C13C14H14H14A120.0°120.0°
C13C14N15C1659.9°61.8°
C13C14N15HN15179.9°174.2°
C14C13C18C1755.8°57.6°
C14C13C18H18175.8°177.6°
C14C13C18H18A64.2°62.3°
H13C13C14N1566.4°60.8°
H13C13C14H14173.6°179.3°
H13C13C14H14A53.6°59.3°
H13C13C18C1763.7°62.3°
H13C13C18H1856.3°57.7°
H13C13C18H18A176.3°177.8°
N15C14H14H14A120.0°120.0°
C14N15C16HN15120.0°124.1°
C14N15C16C1762.8°61.8°
C14N15C16H1657.3°58.3°
C14N15C16H16A177.3°178.3°
H14C14N15C1660.2°58.2°
H14C14N15HN1559.8°65.8°
H14AC14N15C16179.9°178.2°
H14AC14N15HN1560.1°54.1°
N15C16C17H16120.0°120.0°
N15C16C17H16A120.0°119.9°
N15C16H16H16A119.7°120.0°
N15C16C17C1859.8°59.2°
N15C16C17H17179.8°179.1°
N15C16C17H17A60.2°60.7°
HN15N15C16C17177.2°174.2°
HN15N15C16H1662.7°65.8°
HN15N15C16H16A57.3°54.2°
C17C16H16H16A119.6°120.0°
C16C17C18H17120.0°119.9°
C16C17C18H17A120.0°119.9°
C16C17H17H17A120.6°120.1°
C16C17C18H18177.2°177.6°
C16C17C18H18A62.8°62.2°
H16C16C17C1860.2°60.8°
H16C16C17H1759.8°59.1°
H16C16C17H17A179.7°179.2°
H16AC16C17C18179.8°179.1°
H16AC16C17H1760.2°60.9°
H16AC16C17H17A59.8°59.2°
C18C17H17H17A120.5°120.1°
C17C18H18H18A119.3°120.1°
H17C17C18H1862.8°62.5°
H17C17C18H18A57.2°57.7°
H17AC17C18H1857.2°57.7°
H17AC17C18H18A177.2°177.8°
C19C20C21H20180.0°179.9°
C19C20C21CL24179.7°179.9°
C19C20C21C220.8°0.0°
H19C19C20C21179.7°180.0°
H19C19C20H200.3°0.1°
C20C21CL24C22179.0°179.9°
C20C21C22C231.2°0.3°
C20C21C22H22178.8°180.0°
H20C20C21CL240.3°0.0°
H20C20C21C22179.2°179.9°
CL24C21C22C23179.9°179.8°
CL24C21C22H220.1°0.1°
C21C22C23H22180.0°179.7°
C21C22C23H23178.9°179.7°
H22C22C23H231.1°0.0°

225158

PDB entries from 2024-09-18

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