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047

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.38Å1.36Å
N1C40sing1.40Å1.37Å
N1C5sing1.37Å1.32Å
C2C38doub1.40Å1.40ÅAromatic
C2C3sing1.40Å1.39ÅAromatic
C3C32doub1.41Å1.39ÅAromatic
C3C4sing1.41Å1.50Å
C4C7sing1.50Å1.51Å
C4C5doub1.36Å1.34Å
C5H5sing1.08Å1.08Å
C7N10sing1.47Å1.49Å
C7H71sing1.10Å1.10Å
C7H72sing1.10Å1.10Å
N10C12sing1.42Å1.48Å
N10HN10sing1.03Å1.00Å
C12C15sing1.53Å1.56Å
C12H121sing1.08Å1.10Å
C12H122sing1.08Å1.10Å
C15C29sing1.53Å1.56Å
C15C17sing1.53Å1.56Å
C15H15sing1.10Å1.10Å
C17C20sing1.53Å1.55Å
C17H171sing1.10Å1.10Å
C17H172sing1.10Å1.10Å
C20C23sing1.53Å1.56Å
C20H201sing1.10Å1.10Å
C20H202sing1.10Å1.10Å
C23C26sing1.52Å1.56Å
C23H231sing1.10Å1.10Å
C23H232sing1.10Å1.10Å
C26C29sing1.53Å1.55Å
C26H261sing1.10Å1.10Å
C26H262sing1.10Å1.10Å
C29H291sing1.10Å1.10Å
C29H292sing1.10Å1.10Å
C32C34sing1.40Å1.40ÅAromatic
C32H32sing1.09Å1.08Å
C34C36doub1.39Å1.40ÅAromatic
C34H34sing1.09Å1.08Å
C36C38sing1.40Å1.40ÅAromatic
C36H36sing1.09Å1.08Å
C38H38sing1.09Å1.08Å
C40C41doub1.39Å1.40ÅAromatic
C40C48sing1.39Å1.40ÅAromatic
C41C43sing1.39Å1.40ÅAromatic
C41H41sing1.09Å1.08Å
C43C45doub1.39Å1.40ÅAromatic
C43H43sing1.09Å1.08Å
C45C46sing1.39Å1.40ÅAromatic
C45C50sing1.49Å1.53Å
C46C48doub1.40Å1.40ÅAromatic
C46H46sing1.09Å1.08Å
C48H48sing1.09Å1.08Å
C50H501sing1.10Å1.10Å
C50H502sing1.10Å1.10Å
C50H503sing1.10Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C40126.2°125.7°
C2N1C5110.4°110.2°
N1C2C38130.1°130.3°
N1C2C3109.3°107.1°
C40N1C5123.4°124.1°
N1C40C41119.7°119.4°
N1C40C48121.8°119.5°
N1C5C4110.5°107.1°
N1C5H5124.8°121.2°
C38C2C3120.6°122.6°
C2C38C36117.3°117.5°
C2C38H38121.3°121.9°
C2C3C32122.7°118.8°
C2C3C4103.1°106.2°
C32C3C4134.2°135.0°
C3C32C34116.6°119.2°
C3C32H32121.7°120.9°
C3C4C7125.4°125.7°
C3C4C5106.7°109.4°
C7C4C5127.9°124.9°
C4C7N10111.6°112.0°
C4C7H71108.8°110.7°
C4C7H72108.3°111.0°
C4C5H5124.7°131.7°
N10C7H71108.8°107.9°
N10C7H72108.3°107.8°
C7N10C12114.7°112.1°
C7N10HN10107.8°107.7°
H71C7H72111.2°107.3°
C12N10HN10107.8°110.9°
N10C12C15112.5°109.8°
N10C12H121108.5°109.4°
N10C12H122107.8°109.4°
C15C12H121108.5°108.7°
C15C12H122107.8°108.9°
C12C15C29111.7°110.7°
C12C15C17111.1°110.7°
C12C15H15107.6°107.5°
H121C12H122111.9°110.6°
C29C15C17111.8°110.9°
C29C15H15106.8°108.5°
C15C29C26109.8°111.6°
C15C29H291109.4°109.8°
C15C29H292109.3°109.8°
C17C15H15107.5°108.5°
C15C17C20111.7°111.6°
C15C17H171108.7°109.9°
C15C17H172108.2°109.7°
C20C17H171108.7°109.3°
C20C17H172108.2°109.3°
C17C20C23110.7°111.7°
C17C20H201109.0°109.4°
C17C20H202108.8°109.7°
H171C17H172111.3°106.9°
C23C20H201109.1°109.4°
C23C20H202108.8°109.7°
C20C23C26111.8°111.6°
C20C23H231108.7°109.5°
C20C23H232108.2°109.6°
H201C20H202110.4°106.8°
C26C23H231108.7°109.5°
C26C23H232108.2°109.7°
C23C26C29109.9°111.7°
C23C26H261109.3°109.6°
C23C26H262109.2°109.5°
H231C23H232111.3°106.9°
C29C26H261109.3°109.6°
C29C26H262109.2°109.4°
C26C29H291109.4°109.3°
C26C29H292109.3°109.4°
H261C26H262109.8°107.0°
H291C29H292109.7°106.9°
C34C32H32121.7°119.9°
C32C34C36121.4°120.8°
C32C34H34119.3°119.5°
C36C34H34119.3°119.7°
C34C36C38121.4°121.1°
C34C36H36119.3°119.5°
C38C36H36119.3°119.4°
C36C38H38121.3°120.6°
C41C40C48118.5°121.1°
C40C41C43120.5°119.5°
C40C41H41119.8°121.3°
C40C48C46121.2°119.5°
C40C48H48119.4°121.3°
C43C41H41119.8°119.3°
C41C43C45120.8°120.0°
C41C43H43119.6°119.5°
C45C43H43119.6°120.5°
C43C45C46119.0°120.0°
C43C45C50119.6°120.0°
C46C45C50121.4°120.0°
C45C46C48120.0°120.0°
C45C46H46120.0°120.6°
C45C50H501109.5°110.4°
C45C50H502109.5°111.3°
C45C50H503109.5°111.3°
C48C46H46120.0°119.5°
C46C48H48119.4°119.2°
H501C50H502109.4°108.4°
H501C50H503109.5°108.4°
H502C50H503109.5°106.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1C40C5179.8°179.9°
N1C2C38C3179.9°180.0°
N1C2C3C32179.8°180.0°
N1C2C3C40.3°0.0°
C2N1C5C40.1°0.0°
C2N1C5H5179.9°180.0°
N1C2C38C36179.7°180.0°
N1C2C38H380.3°0.0°
C2N1C40C41132.5°150.0°
C2N1C40C4848.4°29.9°
C40N1C2C380.5°0.1°
C40N1C2C3179.6°179.9°
C40N1C5C4179.8°179.9°
C40N1C5H50.2°0.0°
N1C40C41C48179.1°179.9°
N1C40C41C43179.7°180.0°
N1C40C41H410.2°0.1°
N1C40C48C46179.8°180.0°
N1C40C48H480.2°0.1°
C5N1C2C38179.7°180.0°
C5N1C2C30.2°0.0°
N1C5C4C30.1°0.0°
N1C5C4C7179.4°180.0°
N1C5C4H5180.0°180.0°
C5N1C40C4147.3°30.0°
C5N1C40C48131.8°150.0°
C38C2C3C320.3°0.1°
C38C2C3C4179.6°180.0°
C2C38C36C340.6°0.0°
C2C38C36H38180.0°180.0°
C2C38C36H36179.4°180.0°
C2C3C32C4179.9°179.9°
C2C3C4C7179.6°180.0°
C2C3C4C50.2°0.0°
C2C3C32C340.4°0.1°
C2C3C32H32179.6°179.9°
C3C2C38C360.2°0.0°
C3C2C38H38179.8°180.0°
C32C3C4C70.5°0.0°
C32C3C4C5179.9°180.0°
C3C32C34H32180.0°180.0°
C3C32C34C360.0°0.0°
C3C32C34H34180.0°180.0°
C3C4C7C5179.2°180.0°
C3C4C5H5179.9°179.9°
C3C4C7N1065.6°90.0°
C3C4C7H71174.4°149.6°
C3C4C7H7253.5°30.5°
C4C3C32C34179.5°180.0°
C4C3C32H320.5°0.0°
C7C4C5H50.6°0.1°
C4C7N10H71120.0°122.0°
C4C7N10H72119.1°122.4°
C4C7H71H72119.2°121.3°
C4C7N10C1272.8°177.7°
C4C7N10HN10167.2°60.0°
C5C4C7N10115.1°90.0°
C5C4C7H714.8°30.4°
C5C4C7H72125.8°149.5°
N10C7H71H72119.1°115.9°
C7N10C12HN10120.0°120.4°
C7N10C12C15156.6°179.6°
C7N10C12H12136.6°61.2°
C7N10C12H12284.7°60.1°
H71C7N10C1247.2°60.3°
H71C7N10HN1072.8°62.0°
H72C7N10C12168.1°55.3°
H72C7N10HN1048.2°177.6°
N10C12C15H121120.0°119.6°
N10C12C15H122118.7°119.8°
N10C12H121H122118.7°120.6°
N10C12C15C2959.2°176.3°
N10C12C15C1766.4°60.4°
N10C12C15H15176.2°58.0°
HN10N10C12C1583.4°60.0°
HN10N10C12H121156.6°59.2°
HN10N10C12H12235.3°179.5°
C15C12H121H122118.8°119.6°
C12C15C29C17125.2°123.2°
C12C15C29H15117.4°117.7°
C12C15C17H15117.5°117.7°
C12C15C17C20179.9°177.8°
C12C15C17H17159.9°60.7°
C12C15C17H17261.1°56.5°
C12C15C29C26177.8°177.8°
C12C15C29H29162.1°56.5°
C12C15C29H29257.9°60.7°
H121C12C15C2960.8°56.7°
H121C12C15C17173.6°180.0°
H121C12C15H1556.2°61.7°
H122C12C15C29177.9°64.0°
H122C12C15C1752.3°59.4°
H122C12C15H1565.1°177.7°
C29C15C17H15117.0°119.0°
C29C15C17C2054.5°54.6°
C29C15C17H171174.5°176.1°
C29C15C17H17264.5°66.7°
C15C29C26C2358.4°54.8°
C15C29C26H291120.0°121.6°
C15C29C26H292119.9°121.8°
C15C29C26H26161.6°176.5°
C15C29C26H262178.2°66.5°
C15C29H291H292119.9°119.0°
C15C17C20H171120.0°121.8°
C15C17C20H172119.0°121.6°
C15C17H171H172119.1°119.0°
C15C17C20C2352.9°54.7°
C15C17C20H20167.1°66.6°
C15C17C20H202172.4°176.5°
C17C15C29C2656.9°54.6°
C17C15C29H29163.1°66.7°
C17C15C29H292176.8°176.1°
H15C15C17C2062.4°64.5°
H15C15C17H17157.6°57.0°
H15C15C17H172178.5°174.2°
H15C15C29C2660.4°64.4°
H15C15C29H291179.5°174.3°
H15C15C29H29259.5°57.1°
C20C17H171H172119.1°118.2°
C17C20C23H201120.0°121.3°
C17C20C23H202119.5°121.8°
C17C20H201H202119.5°118.7°
C17C20C23C2655.5°54.5°
C17C20C23H231175.5°66.8°
C17C20C23H23263.5°176.2°
H171C17C20C23172.9°176.5°
H171C17C20H20152.9°55.2°
H171C17C20H20267.6°61.7°
H172C17C20C2366.1°66.8°
H172C17C20H201173.9°171.8°
H172C17C20H20253.4°54.9°
C23C20H201H202119.5°118.7°
C20C23C26H231120.0°121.3°
C20C23C26H232119.0°121.7°
C20C23H231H232119.1°118.7°
C20C23C26C2958.5°54.5°
C20C23C26H26161.5°176.1°
C20C23C26H262178.3°66.8°
H201C20C23C2664.5°66.8°
H201C20C23H23155.5°171.8°
H201C20C23H232176.5°54.9°
H202C20C23C26175.0°176.3°
H202C20C23H23165.0°54.9°
H202C20C23H23256.0°62.0°
C26C23H231H232119.0°118.7°
C23C26C29H261120.0°121.7°
C23C26C29H262119.8°121.3°
C23C26H261H262119.8°118.6°
C23C26C29H29161.6°66.8°
C23C26C29H292178.3°176.6°
H231C23C26C29178.5°66.8°
H231C23C26H26158.5°54.8°
H231C23C26H26261.7°171.9°
H232C23C26C2960.5°176.2°
H232C23C26H261179.5°62.2°
H232C23C26H26259.3°54.9°
C29C26H261H262119.8°118.5°
C26C29H291H292119.9°118.3°
H261C26C29H291178.4°54.9°
H261C26C29H29258.3°61.8°
H262C26C29H29158.2°171.9°
H262C26C29H29261.9°55.2°
C32C34C36H34180.0°179.9°
C32C34C36C380.5°0.0°
C32C34C36H36179.5°180.0°
H32C32C34C36180.0°180.0°
H32C32C34H340.0°0.0°
C34C36C38H36180.0°180.0°
C34C36C38H38179.4°180.0°
H34C34C36C38179.5°180.0°
H34C34C36H360.5°0.0°
H36C36C38H380.6°0.0°
C40C41C43H41180.0°179.9°
C40C41C43C450.4°0.0°
C40C41C43H43179.6°180.0°
C41C40C48C460.7°0.0°
C41C40C48H48179.3°179.9°
C48C40C41C430.6°0.0°
C48C40C41H41179.4°179.9°
C40C48C46C450.6°0.0°
C40C48C46H48180.0°179.9°
C40C48C46H46179.5°179.9°
C41C43C45H43180.0°179.9°
C41C43C45C460.2°0.1°
C41C43C45C50179.7°179.9°
H41C41C43C45179.6°179.9°
H41C41C43H430.4°0.1°
C43C45C46C50179.4°179.9°
C43C45C46C480.3°0.0°
C43C45C46H46179.7°179.9°
C43C45C50H50178.8°148.7°
C43C45C50H50241.2°28.2°
C43C45C50H503161.3°90.8°
H43C43C45C46179.8°180.0°
H43C43C45C500.3°0.0°
C45C46C48H46180.0°179.9°
C45C46C48H48179.5°179.9°
C46C45C50H501100.6°31.4°
C46C45C50H502139.4°151.9°
C46C45C50H50319.3°89.1°
C50C45C46C48179.7°179.9°
C50C45C46H460.3°0.0°
C45C50H501H502120.0°122.2°
C45C50H501H503120.0°122.2°
C45C50H502H503120.0°121.7°
H46C46C48H480.5°0.0°
H501C50H502H503120.0°116.7°

218853

PDB entries from 2024-04-24

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