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9H6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C27C01sing1.53Å1.53Å
C27C26sing1.53Å1.54Å
C01C02sing1.50Å1.48Å
C26C25sing1.53Å1.53Å
O04C03doub1.22Å1.22Å
C02C03sing1.41Å1.46Å
C02C24doub1.36Å1.36Å
C03N05sing1.35Å1.41Å
C25C24sing1.51Å1.52Å
C24N23sing1.34Å1.38Å
N05C06sing1.36Å1.40Å
N23C06doub1.32Å1.34Å
C06N07sing1.37Å1.39Å
N07C08sing1.47Å1.48Å
N07C22sing1.47Å1.46Å
C08C09sing1.53Å1.52Å
C22C21sing1.53Å1.51Å
C09C10sing1.53Å1.52Å
C21C10sing1.53Å1.53Å
O12C11doub1.21Å1.22Å
C10C11sing1.51Å1.53Å
C10C20sing1.51Å1.48Å
C11N13sing1.35Å1.42Å
C20C19sing1.38Å1.36ÅAromatic
C20C15doub1.39Å1.42ÅAromatic
C19C18doub1.38Å1.39ÅAromatic
N13C15sing1.40Å1.40Å
N13C14sing1.46Å1.49Å
C15C16sing1.39Å1.37ÅAromatic
C18C17sing1.38Å1.39ÅAromatic
C16C17doub1.38Å1.40ÅAromatic
C14H1sing1.09Å1.10Å
C14H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C01H4sing1.09Å1.10Å
C01H5sing1.09Å1.10Å
C08H6sing1.09Å1.10Å
C08H7sing1.09Å1.10Å
C09H8sing1.09Å1.10Å
C09H9sing1.09Å1.10Å
C16H10sing1.08Å1.08Å
C17H11sing1.08Å1.08Å
C18H12sing1.08Å1.08Å
C19H13sing1.08Å1.08Å
C21H14sing1.09Å1.10Å
C21H15sing1.09Å1.10Å
C22H16sing1.09Å1.10Å
C22H17sing1.09Å1.10Å
C25H18sing1.09Å1.10Å
C25H19sing1.09Å1.10Å
C26H20sing1.09Å1.10Å
C26H21sing1.09Å1.10Å
C27H22sing1.09Å1.10Å
C27H23sing1.09Å1.10Å
N05H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01C27C26112.1°108.4°
C27C01C02112.4°110.6°
C27C01H4108.7°109.3°
C27C01H5108.7°109.3°
C01C27H22108.8°109.7°
C01C27H23108.8°109.7°
C27C26C25114.1°108.3°
C27C26H20108.3°109.7°
C27C26H21108.3°109.7°
C26C27H22108.8°109.7°
C26C27H23108.8°109.7°
C01C02C03117.4°118.2°
C01C02C24122.7°123.0°
C02C01H4108.7°109.2°
C02C01H5108.7°109.2°
C26C25C24115.6°110.7°
C26C25H18107.9°109.2°
C26C25H19107.9°109.2°
C25C26H20108.3°109.7°
C25C26H21108.3°109.7°
O04C03C02128.1°120.4°
O04C03N05116.2°120.4°
C03C02C24119.9°118.9°
C02C03N05115.7°119.2°
C02C24C25122.3°122.6°
C02C24N23123.1°119.5°
C03N05C06120.2°119.5°
C03N05H24119.9°120.3°
C25C24N23114.6°117.8°
C24C25H18107.9°109.2°
C24C25H19107.9°109.2°
C24N23C06117.9°121.9°
N05C06N23123.2°121.0°
N05C06N07118.6°119.6°
C06N05H24119.9°120.2°
N23C06N07118.2°119.5°
C06N07C08122.2°120.7°
C06N07C22118.3°120.6°
C08N07C22119.5°118.8°
N07C08C09113.9°108.8°
N07C08H6108.4°109.5°
N07C08H7108.3°109.8°
N07C22C21112.5°108.8°
N07C22H16108.7°109.6°
N07C22H17108.7°109.7°
C08C09C10110.8°109.3°
C09C08H6108.3°109.6°
C09C08H7108.4°109.6°
C08C09H8109.2°109.5°
C08C09H9109.2°109.5°
C22C21C10109.2°109.3°
C22C21H14109.6°109.5°
C22C21H15109.5°109.5°
C21C22H16108.7°109.6°
C21C22H17108.7°109.5°
C09C10C21112.6°110.7°
C09C10C11110.5°110.3°
C09C10C20109.3°110.4°
C10C09H8109.1°109.5°
C10C09H9109.1°109.5°
C21C10C11110.6°110.3°
C21C10C20111.6°110.5°
C10C21H14109.5°109.5°
C10C21H15109.6°109.5°
O12C11C10130.8°126.6°
O12C11N13120.3°126.5°
C11C10C20101.7°104.5°
C10C11N13108.9°106.9°
C10C20C19126.8°133.2°
C10C20C15110.9°106.1°
C11N13C15109.3°112.2°
C11N13C14117.7°123.9°
C19C20C15122.3°120.7°
C20C19C18116.7°120.0°
C20C19H13121.7°120.0°
C20C15N13109.2°110.3°
C20C15C16121.3°118.9°
C19C18C17121.3°119.9°
C19C18H12119.3°120.1°
C18C19H13121.6°120.1°
C15N13C14133.0°123.9°
N13C15C16129.5°130.8°
N13C14H1109.5°109.5°
N13C14H2109.4°109.5°
N13C14H3109.4°109.5°
C15C16C17116.1°120.2°
C15C16H10121.9°119.9°
C18C17C16122.3°120.3°
C18C17H11118.9°119.8°
C17C18H12119.4°120.1°
C17C16H10122.0°119.9°
C16C17H11118.9°119.9°
H1C14H2109.5°109.4°
H1C14H3109.5°109.5°
H2C14H3109.5°109.4°
H4C01H5109.5°109.2°
H6C08H7109.5°109.5°
H8C09H9109.4°109.6°
H14C21H15109.5°109.5°
H16C22H17109.5°109.6°
H18C25H19109.5°109.2°
H20C26H21109.5°109.7°
H22C27H23109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01C27C26H22120.4°119.7°
C01C27C26H23120.4°119.7°
C27C01C02H4120.4°120.3°
C27C01C02H5120.4°120.3°
C01C27C26C2548.7°69.2°
C27C01C02C03153.6°162.3°
C27C01C02C2426.3°17.7°
C27C01H4H5118.7°119.5°
C01C27C26H2072.0°171.0°
C01C27C26H21169.4°50.5°
C01C27H22H23118.8°120.5°
C26C27C01C0250.2°50.6°
C27C26C25H20120.7°119.7°
C27C26C25H21120.7°119.7°
C27C26C25C2422.2°51.0°
C26C27C01H4170.6°69.6°
C26C27C01H570.3°170.9°
C27C26C25H18143.0°69.3°
C27C26C25H1998.7°171.3°
C27C26H20H21117.8°120.5°
C26C27H22H23118.7°120.6°
C01C02C03O040.1°0.4°
C01C02C03C24179.9°180.0°
C01C02C03N05180.0°179.5°
C01C02C24C250.8°0.9°
C01C02C24N23179.6°179.4°
C02C01H4H5118.7°119.4°
C02C01C27H22170.6°170.4°
C02C01C27H2370.2°69.1°
C26C25C24C023.0°18.0°
C26C25C24H18120.9°120.3°
C26C25C24H19120.9°120.3°
C26C25C24N23178.2°162.4°
C26C25H18H19117.2°119.4°
C25C26H20H21117.9°120.6°
C25C26C27H22169.1°171.1°
C25C26C27H2371.7°50.5°
O04C03C02N05179.9°179.9°
O04C03C02C24179.8°179.6°
O04C03N05C06180.0°180.0°
O04C03N05H240.0°0.0°
C03C02C24C25179.3°179.0°
C03C02C24N230.5°0.6°
C02C03N05C060.1°0.1°
C03C02C01H433.2°77.4°
C03C02C01H586.0°42.0°
C02C03N05H24179.9°180.0°
C24C02C03N050.1°0.5°
C02C24C25N23178.9°179.6°
C02C24N23C060.7°0.3°
C24C02C01H4146.7°102.6°
C24C02C01H594.1°138.0°
C02C24C25H18117.9°102.3°
C02C24C25H19123.8°138.3°
C03N05C06H24180.0°179.9°
C03N05C06N230.1°0.2°
C03N05C06N07179.8°179.8°
C25C24N23C06179.6°179.3°
C24C25H18H19117.2°119.4°
C24C25C26H2098.5°170.7°
C24C25C26H21142.9°68.7°
C24N23C06N050.5°0.1°
C24N23C06N07179.4°179.9°
N23C24C25H1861.0°77.4°
N23C24C25H1957.3°42.1°
N05C06N23N07179.9°180.0°
N05C06N07C081.0°174.4°
N05C06N07C22179.9°5.6°
N23C06N07C08178.9°5.6°
N23C06N07C220.1°174.4°
N23C06N05H24179.9°179.7°
C06N07C08C22179.0°180.0°
C06N07C08C09140.4°125.9°
C06N07C22C21136.1°126.0°
C06N07C08H698.9°6.2°
C06N07C08H719.7°114.1°
C06N07C22H1615.7°114.2°
C06N07C22H17103.4°6.2°
N07C06N05H240.2°0.3°
N07C08C09H6120.7°119.7°
N07C08C09H7120.7°120.1°
C08N07C22C2144.8°54.1°
N07C08C09C1043.5°54.0°
N07C08H6H7118.0°120.5°
N07C08C09H8163.7°65.9°
N07C08C09H976.7°174.0°
C08N07C22H16165.3°65.7°
C08N07C22H1775.6°173.9°
C22N07C08C0940.6°54.1°
N07C22C21H16120.5°119.8°
N07C22C21H17120.5°119.9°
N07C22C21C1051.5°54.0°
C22N07C08H680.1°173.8°
C22N07C08H7161.3°65.8°
N07C22C21H1468.4°173.9°
N07C22C21H15171.5°66.0°
N07C22H16H17118.6°120.5°
C08C09C10H8120.2°119.9°
C08C09C10H9120.2°119.9°
C08C09C10C2154.6°60.3°
C08C09C10C1169.7°62.0°
C08C09C10C20179.2°177.0°
C09C08H6H7118.0°120.3°
C08C09H8H9119.4°120.1°
C22C21C10C0958.6°60.3°
C22C21C10H14120.0°120.0°
C22C21C10H15119.9°120.0°
C22C21C10C1165.6°62.0°
C22C21C10C20178.0°177.1°
C22C21H14H15120.1°120.1°
C21C22H16H17118.6°120.3°
C09C10C21C11124.2°122.3°
C09C10C21C20123.4°122.7°
C09C10C11O1263.8°61.4°
C09C10C11C20115.9°118.7°
C09C10C11N13115.0°118.6°
C09C10C20C1963.2°61.5°
C09C10C20C15116.3°118.5°
C10C09C08H677.1°173.7°
C10C09C08H7164.2°66.1°
C10C09H8H9119.4°120.1°
C09C10C21H1461.3°179.7°
C09C10C21H15178.6°59.7°
C21C10C11O1261.6°61.2°
C21C10C11C20118.6°118.8°
C21C10C11N13119.6°118.8°
C21C10C20C1962.1°61.3°
C21C10C20C15118.4°118.7°
C21C10C09H8174.8°59.6°
C21C10C09H965.7°179.8°
C10C21H14H15120.1°120.1°
C10C21C22H16172.0°65.9°
C10C21C22H1768.9°173.8°
O12C11C10N13178.8°180.0°
O12C11C10C20179.7°179.9°
O12C11N13C15180.0°180.0°
O12C11N13C140.9°0.0°
C11C10C20C19180.0°179.9°
C11C10C20C150.5°0.1°
C10C11N13C151.0°0.0°
C10C11N13C14179.8°180.0°
C11C10C09H850.5°178.1°
C11C10C09H9170.0°57.9°
C11C10C21H14174.4°58.0°
C11C10C21H1554.3°178.0°
C20C10C11N130.9°0.0°
C10C20C19C15179.4°180.0°
C10C20C19C18179.6°180.0°
C10C20C15N130.1°0.1°
C10C20C15C16179.7°180.0°
C20C10C09H860.6°63.1°
C20C10C09H959.0°57.1°
C10C20C19H130.3°0.1°
C20C10C21H1462.0°57.1°
C20C10C21H1558.1°63.0°
C11N13C15C200.7°0.0°
C11N13C15C14179.0°180.0°
C11N13C15C16179.7°180.0°
C11N13C14H1180.0°90.0°
C11N13C14H260.0°150.0°
C11N13C14H360.0°30.0°
C20C19C18H13180.0°179.9°
C19C20C15N13179.4°180.0°
C19C20C15C160.2°0.0°
C20C19C18C170.3°0.0°
C20C19C18H12179.7°180.0°
C15C20C19C180.2°0.0°
C20C15N13C16179.6°180.0°
C20C15N13C14179.7°180.0°
C20C15C16C170.2°0.0°
C20C15C16H10179.8°180.0°
C15C20C19H13179.8°180.0°
C19C18C17H12180.0°180.0°
C19C18C17C160.4°0.1°
C19C18C17H11179.6°180.0°
N13C15C16C17179.3°180.0°
C15N13C14H11.1°90.0°
C15N13C14H2118.9°30.0°
C15N13C14H3121.1°150.0°
N13C15C16H100.7°0.0°
C14N13C15C160.7°0.0°
N13C14H1H2120.0°120.1°
N13C14H1H3120.0°120.0°
N13C14H2H3120.0°120.0°
C15C16C17C180.3°0.0°
C15C16C17H10180.0°180.0°
C15C16C17H11179.6°180.0°
C18C17C16H11180.0°180.0°
C18C17C16H10179.7°179.9°
C17C18C19H13179.7°180.0°
C16C17C18H12179.6°180.0°
H1C14H2H3120.0°120.0°
H4C01C27H2269.0°50.1°
H4C01C27H2350.3°170.6°
H5C01C27H2250.1°69.3°
H5C01C27H23169.4°51.2°
H6C08C09H843.1°53.8°
H6C08C09H9162.7°66.3°
H7C08C09H875.6°174.0°
H7C08C09H944.0°53.9°
H10C16C17H110.4°0.0°
H11C17C18H120.4°0.0°
H12C18C19H130.3°0.0°
H14C21C22H1652.0°54.1°
H14C21C22H17171.1°66.2°
H15C21C22H1668.1°174.2°
H15C21C22H1751.0°53.9°
H18C25C26H2022.3°50.4°
H18C25C26H2196.3°171.0°
H19C25C26H20140.6°69.0°
H19C25C26H2122.0°51.6°
H20C26C27H2248.4°51.3°
H20C26C27H23167.6°69.3°
H21C26C27H2270.2°69.2°
H21C26C27H2349.0°170.2°

238582

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