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HPI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C02doub1.38Å1.42ÅAromatic
C01C06sing1.38Å1.42ÅAromatic
C01H01sing1.08Å1.10Å
C02C03sing1.38Å1.42ÅAromatic
C02H02sing1.08Å1.10Å
C03C04doub1.38Å1.42ÅAromatic
C03H03sing1.08Å1.10Å
C04C05sing1.38Å1.43ÅAromatic
C04C07sing1.51Å1.53Å
C05C06doub1.38Å1.42ÅAromatic
C05H05sing1.08Å1.10Å
C06H06sing1.08Å1.10Å
C07C08sing1.53Å1.56Å
C07H071sing1.09Å1.11Å
C07H072sing1.09Å1.12Å
C08N09sing1.47Å1.51Å
C08C22sing1.51Å1.53Å
C08H08sing1.09Å1.11Å
N09C10sing1.47Å1.51Å
N09H09sing1.01Å1.02Å
C10C11sing1.53Å1.57Å
C10C19sing1.51Å1.56Å
C10H10sing1.09Å1.12Å
C11C12sing1.53Å1.55Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.11Å
C12C13sing1.51Å1.50Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.12Å
C13C14doub1.38Å1.43ÅAromatic
C13C18sing1.38Å1.42ÅAromatic
C14C15sing1.38Å1.41ÅAromatic
C14H14sing1.08Å1.10Å
C15C16doub1.38Å1.42ÅAromatic
C15H15sing1.08Å1.10Å
C16C17sing1.38Å1.42ÅAromatic
C16H16sing1.08Å1.10Å
C17C18doub1.38Å1.42ÅAromatic
C17H17sing1.08Å1.10Å
C18H18sing1.08Å1.10Å
C19O20doub1.21Å1.36Å
C19O21sing1.34Å1.37Å
O21H21sing0.97Å0.95Å
C22O23doub1.21Å1.25Å
C22N24sing1.35Å1.43Å
N24C25sing1.46Å1.45Å
N24H24sing0.97Å1.02Å
C25C26sing1.51Å1.55Å
C25C29sing1.53Å1.58Å
C25H25sing1.09Å1.12Å
C26O27doub1.21Å1.40Å
C26N28sing1.35Å1.40Å
N28H281sing0.97Å1.02Å
N28H282sing0.97Å1.02Å
C29C30sing1.51Å1.56Å
C29H291sing1.09Å1.11Å
C29H292sing1.09Å1.11Å
C30O31sing1.34Å1.38Å
C30O32doub1.21Å1.38Å
O31H31sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C02C01C06120.0°120.0°
C02C01H01120.0°120.0°
C01C02C03120.3°120.0°
C01C02H02119.7°120.0°
C06C01H01120.1°120.0°
C01C06C05119.9°120.0°
C01C06H06120.0°120.0°
C03C02H02120.0°120.0°
C02C03C04120.0°120.0°
C02C03H03120.2°120.0°
C04C03H03119.9°120.0°
C03C04C05119.6°120.0°
C03C04C07120.0°120.0°
C05C04C07120.4°120.0°
C04C05C06120.3°120.1°
C04C05H05120.2°120.0°
C04C07C08113.1°109.4°
C04C07H071110.9°109.5°
C04C07H072110.9°109.5°
C06C05H05119.5°120.0°
C05C06H06120.0°120.1°
C08C07H071110.9°109.4°
C08C07H072110.9°109.4°
C07C08N09106.9°109.5°
C07C08C22109.8°109.5°
C07C08H08111.0°109.5°
H071C07H07299.5°109.5°
N09C08C22109.6°109.5°
N09C08H08111.1°109.5°
C08N09C10110.7°106.7°
C08N09H09111.7°106.7°
C22C08H08108.3°109.4°
C08C22O23120.1°120.0°
C08C22N24118.0°120.0°
C10N09H09111.8°106.7°
N09C10C11106.7°109.5°
N09C10C19110.7°109.5°
N09C10H10109.2°109.5°
C11C10C19105.3°109.4°
C11C10H10114.3°109.5°
C10C11C12112.4°109.4°
C10C11H111111.1°109.4°
C10C11H112111.1°109.5°
C19C10H10110.5°109.4°
C10C19O20120.9°120.0°
C10C19O21122.3°120.1°
C12C11H111111.1°109.5°
C12C11H112111.1°109.5°
C11C12C13111.7°109.5°
C11C12H121111.4°109.5°
C11C12H122111.4°109.5°
H111C11H11299.2°109.5°
C13C12H121111.4°109.4°
C13C12H122111.4°109.5°
C12C13C14118.0°120.0°
C12C13C18121.9°120.0°
H121C12H12299.0°109.5°
C14C13C18120.1°120.0°
C13C14C15120.4°120.1°
C13C14H14120.3°120.0°
C13C18C17119.4°120.0°
C13C18H18120.1°120.0°
C15C14H14119.3°120.0°
C14C15C16119.5°120.0°
C14C15H15120.1°120.0°
C16C15H15120.3°120.0°
C15C16C17120.3°120.0°
C15C16H16119.6°120.0°
C17C16H16120.1°120.0°
C16C17C18120.2°120.0°
C16C17H17119.9°120.0°
C18C17H17119.8°120.0°
C17C18H18120.5°120.0°
O20C19O21116.8°120.0°
C19O21H21122.3°120.0°
O23C22N24121.9°120.0°
C22N24C25120.3°120.0°
C22N24H24119.1°120.1°
C25N24H24120.5°119.9°
N24C25C26100.7°109.5°
N24C25C29106.8°109.5°
N24C25H25118.0°109.4°
C26C25C29113.6°109.5°
C26C25H25111.7°109.4°
C25C26O27118.3°120.0°
C25C26N28123.0°120.0°
C29C25H25106.1°109.5°
C25C29C30116.3°109.5°
C25C29H291109.7°109.4°
C25C29H292109.7°109.5°
O27C26N28118.6°120.1°
C26N28H281123.0°120.0°
C26N28H282118.6°120.1°
H281N28H282118.4°120.0°
C30C29H291109.7°109.5°
C30C29H292109.7°109.5°
C29C30O31122.1°119.9°
C29C30O32120.4°120.0°
H291C29H292100.5°109.5°
O31C30O32117.5°120.0°
C30O31H31122.1°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C02C01C06H01180.0°180.0°
C01C02C03H02180.0°179.9°
C01C02C03C040.1°0.0°
C01C02C03H03179.9°180.0°
C02C01C06C050.0°0.2°
C02C01C06H06180.0°180.0°
C06C01C02C030.0°0.0°
C06C01C02H02180.0°180.0°
C01C06C05C040.0°0.5°
C01C06C05H06180.0°179.8°
C01C06C05H05180.0°180.0°
H01C01C02C03180.0°179.9°
H01C01C02H020.1°0.0°
H01C01C06C05179.9°179.8°
H01C01C06H060.1°0.0°
C02C03C04H03180.0°180.0°
C02C03C04C050.1°0.3°
C02C03C04C07179.9°180.0°
H02C02C03C04180.0°179.9°
H02C02C03H030.0°0.0°
C03C04C05C07180.0°179.7°
C03C04C05C060.1°0.5°
C03C04C05H05179.9°179.9°
C03C04C07C08115.5°95.5°
C03C04C07H071119.2°24.5°
C03C04C07H0729.8°144.6°
H03C03C04C05179.9°179.8°
H03C03C04C070.1°0.0°
C04C05C06H05180.0°179.6°
C04C05C06H06180.0°179.7°
C05C04C07C0864.5°84.8°
C05C04C07H07160.7°155.2°
C05C04C07H072170.2°35.1°
C07C04C05C06180.0°179.8°
C07C04C05H050.0°0.2°
C04C07C08H071125.2°120.0°
C04C07C08H072125.2°120.0°
C04C07H071H072116.7°120.1°
C04C07C08N09178.5°63.2°
C04C07C08C2262.6°176.9°
C04C07C08H0857.1°56.9°
H05C05C06H060.0°0.2°
C08C07H071H072116.8°119.9°
C07C08N09C22119.0°120.0°
C07C08N09H08121.3°120.1°
C07C08C22H08121.3°120.0°
C07C08N09C10180.0°157.4°
C07C08N09H0954.8°88.8°
C07C08C22O2399.2°119.9°
C07C08C22N2481.3°60.0°
H071C07C08N0953.3°56.8°
H071C07C08C22172.2°63.1°
H071C07C08H0868.1°176.9°
H072C07C08N0956.3°176.8°
H072C07C08C2262.6°56.9°
H072C07C08H08177.6°63.1°
N09C08C22H08121.4°120.0°
C08N09C10H09125.2°113.8°
C08N09C10C11179.0°157.0°
C08N09C10C1966.9°83.0°
C08N09C10H1055.0°37.0°
N09C08C22O23143.6°0.0°
N09C08C22N2435.9°180.0°
C22C08N09C1061.0°82.6°
C22C08N09H09173.8°31.2°
C08C22O23N24179.5°180.0°
C08C22N24C25179.4°180.0°
C08C22N24H240.6°0.0°
H08C08N09C1058.8°37.4°
H08C08N09H0966.5°151.2°
H08C08C22O2322.1°120.0°
H08C08C22N24157.4°60.0°
N09C10C11C19117.7°120.0°
N09C10C11H10120.8°120.0°
N09C10C19H10121.1°120.0°
N09C10C11C12179.4°65.0°
N09C10C11H11155.3°55.0°
N09C10C11H11254.1°175.0°
N09C10C19O2048.7°25.8°
N09C10C19O21132.0°154.2°
H09N09C10C1155.8°43.2°
H09N09C10C1958.3°163.2°
H09N09C10H10179.8°76.8°
C11C10C19H10123.9°119.9°
C10C11C12H111125.3°119.9°
C10C11C12H112125.3°120.0°
C10C11H111H112117.0°120.1°
C10C11C12C13176.6°180.0°
C10C11C12H12158.1°60.0°
C10C11C12H12251.4°60.0°
C11C10C19O2066.3°94.2°
C11C10C19O21113.0°85.8°
C19C10C11C1262.8°175.0°
C19C10C11H11162.5°65.1°
C19C10C11H112171.9°55.0°
C10C19O20O21179.3°179.9°
C10C19O21H21180.0°175.0°
H10C10C11C1258.6°55.1°
H10C10C11H111176.1°175.0°
H10C10C11H11266.7°64.9°
H10C10C19O20169.8°145.8°
H10C10C19O2110.9°34.1°
C12C11H111H112117.0°120.0°
C11C12C13H121125.3°120.0°
C11C12C13H122125.3°120.1°
C11C12H121H122117.3°120.1°
C11C12C13C1485.8°89.9°
C11C12C13C1895.1°90.3°
H111C11C12C1351.3°60.1°
H111C11C12H121176.6°180.0°
H111C11C12H12273.9°59.9°
H112C11C12C1358.1°60.0°
H112C11C12H12167.2°60.0°
H112C11C12H122176.7°180.0°
C13C12H121H122117.3°120.0°
C12C13C14C18179.1°179.8°
C12C13C14C15179.2°180.0°
C12C13C14H140.7°0.0°
C12C13C18C17179.2°179.8°
C12C13C18H180.8°0.2°
H121C12C13C14148.9°30.0°
H121C12C13C1830.2°149.7°
H122C12C13C1439.4°150.0°
H122C12C13C18139.6°29.8°
C13C14C15H14180.0°180.0°
C13C14C15C160.1°0.0°
C13C14C15H15179.9°180.0°
C14C13C18C170.1°0.5°
C14C13C18H18179.9°180.0°
C18C13C14C150.2°0.2°
C18C13C14H14179.8°179.7°
C13C18C17C160.1°0.4°
C13C18C17H18180.0°179.5°
C13C18C17H17179.9°179.7°
C14C15C16H15180.0°179.9°
C14C15C16C170.0°0.1°
C14C15C16H16179.9°179.9°
H14C14C15C16179.9°180.0°
H14C14C15H150.1°0.1°
C15C16C17H16180.0°180.0°
C15C16C17C180.0°0.2°
C15C16C17H17180.0°180.0°
H15C15C16C17180.0°180.0°
H15C15C16H160.1°0.0°
C16C17C18H17180.0°179.8°
C16C17C18H18180.0°180.0°
H16C16C17C18180.0°179.9°
H16C16C17H170.0°0.0°
H17C17C18H180.0°0.2°
O20C19O21H210.7°5.0°
O23C22N24C250.1°0.0°
O23C22N24H24179.9°179.9°
C22N24C25H24180.0°179.9°
C22N24C25C26105.6°84.9°
C22N24C25C29135.5°155.0°
C22N24C25H2516.2°35.0°
N24C25C26C29113.8°120.1°
N24C25C26H25126.1°119.9°
N24C25C29H25126.7°120.0°
N24C25C26O2739.8°0.1°
N24C25C26N28141.2°180.0°
N24C25C29C30173.8°65.0°
N24C25C29H29160.9°55.1°
N24C25C29H29248.5°175.0°
H24N24C25C2674.4°95.0°
H24N24C25C2944.5°25.1°
H24N24C25H25163.8°145.1°
C26C25C29H25123.1°120.0°
C25C26O27N28179.1°179.9°
C25C26N28H281180.0°179.9°
C25C26N28H2821.0°0.3°
C26C25C29C3076.1°175.0°
C26C25C29H29149.2°65.0°
C26C25C29H292158.7°55.0°
C29C25C26O2774.0°120.0°
C29C25C26N28105.0°59.9°
C25C29C30H291125.3°120.0°
C25C29C30H292125.2°120.0°
C25C29H291H292115.5°120.0°
C25C29C30O3121.2°180.0°
C25C29C30O32158.1°0.0°
H25C25C26O27165.9°120.0°
H25C25C26N2815.0°60.0°
H25C25C29C3047.1°55.0°
H25C25C29H291172.3°175.0°
H25C25C29H29278.2°65.0°
O27C26N28H2811.0°0.0°
O27C26N28H282180.0°179.8°
C26N28H281H282179.0°179.8°
C30C29H291H292115.5°120.0°
C29C30O31O32179.3°179.9°
C29C30O31H31180.0°180.0°
H291C29C30O31146.4°60.0°
H291C29C30O3232.8°120.0°
H292C29C30O31104.1°60.0°
H292C29C30O3276.7°120.0°
O32C30O31H310.7°0.0°

222415

PDB entries from 2024-07-10

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