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I25

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O17C15sing1.34Å1.28Å
O17H17sing0.97Å0.95Å
C15O16doub1.21Å1.28Å
C15C13sing1.51Å1.49Å
C13N14sing1.46Å1.48Å
C13C11sing1.51Å1.50Å
C13H13sing1.09Å1.10Å
N14C1sing1.39Å1.39Å
N14H14sing0.97Å1.00Å
C1C6sing1.39Å1.41ÅAromatic
C1C2doub1.39Å1.40ÅAromatic
C6C4doub1.38Å1.38ÅAromatic
C6H6sing1.08Å1.08Å
C4C3sing1.40Å1.39ÅAromatic
C4H4sing1.08Å1.08Å
C3C18sing1.48Å1.44Å
C3C5doub1.40Å1.41ÅAromatic
C18N20doub1.30Å1.35Å
C18N19sing1.38Å1.35Å
N20H20sing0.97Å1.00Å
N19H191sing0.97Å1.00Å
N19H192sing0.97Å1.00Å
C5C2sing1.38Å1.39ÅAromatic
C5H5sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C11C8sing1.38Å1.39ÅAromatic
C11C9doub1.38Å1.40ÅAromatic
C8C7doub1.39Å1.40ÅAromatic
C8H8sing1.08Å1.08Å
C9C10sing1.38Å1.40ÅAromatic
C9H9sing1.08Å1.08Å
C10C21sing1.51Å1.50Å
C10C12doub1.38Å1.40ÅAromatic
C21C22sing1.53Å1.54Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C22H223sing1.09Å1.10Å
C12C7sing1.39Å1.39ÅAromatic
C12H12sing1.08Å1.08Å
C7O23sing1.36Å1.37Å
O23C24sing1.43Å1.43Å
C24C25sing1.53Å1.54Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C25C26sing1.53Å1.54Å
C25C27sing1.53Å1.53Å
C25C28sing1.53Å1.54Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C26H263sing1.09Å1.10Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
C28N29sing1.47Å1.48Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
N29C31sing1.47Å1.48Å
N29C30sing1.47Å1.48Å
C31H311sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
C31H313sing1.09Å1.10Å
C30H301sing1.09Å1.10Å
C30H302sing1.09Å1.10Å
C30H303sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15O17H17109.5°117.0°
O17C15O16124.7°120.0°
O17C15C13117.9°120.0°
O16C15C13117.4°120.0°
C15C13N14108.7°109.5°
C15C13C11107.0°109.5°
C15C13H13113.1°109.5°
N14C13C11113.6°109.5°
N14C13H13106.4°109.4°
C13N14C1119.1°120.1°
C13N14H14106.4°120.0°
C11C13H13108.1°109.4°
C13C11C8118.4°120.0°
C13C11C9121.2°120.0°
C1N14H14106.4°120.0°
N14C1C6117.0°120.0°
N14C1C2120.6°119.9°
C6C1C2122.4°120.1°
C1C6C4118.8°120.1°
C1C6H6120.6°120.0°
C1C2C5118.5°120.0°
C1C2H2120.8°120.0°
C4C6H6120.6°120.0°
C6C4C3119.5°119.9°
C6C4H4120.3°120.0°
C3C4H4120.3°120.0°
C4C3C18118.0°120.0°
C4C3C5121.9°119.8°
C18C3C5120.1°120.1°
C3C18N20121.7°120.0°
C3C18N19121.2°120.0°
C3C5C2119.0°120.0°
C3C5H5120.5°120.0°
N20C18N19117.0°120.0°
C18N20H20109.3°120.0°
C18N19H191109.3°120.0°
C18N19H192125.4°120.0°
H191N19H192125.3°120.0°
C2C5H5120.5°120.0°
C5C2H2120.7°120.0°
C8C11C9120.4°120.1°
C11C8C7118.9°119.9°
C11C8H8120.6°120.1°
C11C9C10119.8°120.2°
C11C9H9120.1°120.0°
C7C8H8120.6°120.0°
C8C7C12121.8°119.9°
C8C7O23118.6°120.1°
C10C9H9120.1°119.9°
C9C10C21120.8°120.0°
C9C10C12120.6°120.0°
C21C10C12118.6°119.9°
C10C21C22109.2°109.5°
C10C21H211109.6°109.5°
C10C21H212109.6°109.5°
C10C12C7118.6°119.9°
C10C12H12120.7°120.0°
C22C21H211109.6°109.4°
C22C21H212109.7°109.4°
C21C22H221109.5°109.5°
C21C22H222109.5°109.5°
C21C22H223109.4°109.5°
H211C21H212109.3°109.5°
H221C22H222109.5°109.4°
H221C22H223109.5°109.4°
H222C22H223109.5°109.5°
C7C12H12120.7°120.1°
C12C7O23119.5°120.0°
C7O23C24113.2°117.0°
O23C24C25115.2°109.5°
O23C24H241107.6°109.5°
O23C24H242106.3°109.4°
C25C24H241107.6°109.5°
C25C24H242106.3°109.4°
C24C25C26112.4°109.5°
C24C25C27108.0°109.5°
C24C25C28111.2°109.5°
H241C24H242114.1°109.5°
C26C25C27107.5°109.5°
C26C25C28110.3°109.4°
C25C26H261109.5°109.4°
C25C26H262109.5°109.4°
C25C26H263109.5°109.5°
C27C25C28107.0°109.5°
C25C27H271109.5°109.5°
C25C27H272109.5°109.5°
C25C27H273109.5°109.5°
C25C28N29114.7°109.5°
C25C28H281107.8°109.5°
C25C28H282106.6°109.5°
H261C26H262109.5°109.5°
H261C26H263109.4°109.5°
H262C26H263109.5°109.5°
H271C27H272109.5°109.4°
H271C27H273109.5°109.4°
H272C27H273109.5°109.5°
N29C28H281107.8°109.5°
N29C28H282106.6°109.5°
C28N29C31110.8°111.0°
C28N29C30110.9°111.0°
H281C28H282113.6°109.4°
C31N29C30109.7°111.0°
N29C31H311109.5°109.5°
N29C31H312109.5°109.4°
N29C31H313109.5°109.4°
N29C30H301109.5°109.5°
N29C30H302109.5°109.4°
N29C30H303109.4°109.5°
H311C31H312109.5°109.5°
H311C31H313109.4°109.5°
H312C31H313109.5°109.5°
H301C30H302109.5°109.5°
H301C30H303109.4°109.5°
H302C30H303109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O17C15O16C13177.8°179.9°
O17C15C13N1424.5°180.0°
O17C15C13C1198.5°59.9°
O17C15C13H13142.5°60.0°
H17O17C15O160.0°0.0°
H17O17C15C13177.8°180.0°
O16C15C13N14157.5°0.1°
O16C15C13C1179.5°120.0°
O16C15C13H1339.5°120.1°
C15C13N14C11119.0°120.0°
C15C13N14H13122.2°120.0°
C15C13C11H13122.2°120.0°
C15C13N14C1160.3°85.0°
C15C13N14H1479.7°95.0°
C15C13C11C8113.3°80.0°
C15C13C11C964.2°100.3°
N14C13C11H13117.9°120.0°
C13N14C1H14120.0°180.0°
C13N14C1C6178.7°180.0°
C13N14C1C21.2°0.3°
N14C13C11C8126.7°40.0°
N14C13C11C955.8°139.7°
C11C13N14C180.7°155.0°
C11C13N14H1439.3°25.0°
C13C11C8C9177.5°179.7°
C13C11C8C7179.1°180.0°
C13C11C8H80.9°0.1°
C13C11C9C10179.1°180.0°
C13C11C9H90.9°0.0°
H13C13N14C138.2°35.0°
H13C13N14H14158.1°145.0°
H13C13C11C88.8°160.0°
H13C13C11C9173.7°19.7°
N14C1C6C2179.8°179.6°
N14C1C6C4179.5°180.0°
N14C1C6H60.5°0.1°
N14C1C2C5179.3°179.7°
N14C1C2H20.7°0.1°
H14N14C1C661.3°0.1°
H14N14C1C2118.8°179.7°
C1C6C4H6180.0°179.9°
C1C6C4C30.1°0.0°
C1C6C4H4179.9°180.0°
C6C1C2C50.8°0.6°
C6C1C2H2179.2°179.7°
C2C1C6C40.7°0.3°
C2C1C6H6179.3°179.7°
C1C2C5C30.4°0.6°
C1C2C5H2180.0°179.7°
C1C2C5H5179.6°179.6°
C6C4C3H4180.0°180.0°
C6C4C3C18179.6°180.0°
C6C4C3C50.3°0.0°
H6C6C4C3179.9°179.9°
H6C6C4H40.1°0.0°
C4C3C18C5179.2°179.9°
C4C3C18N20165.7°0.0°
C4C3C18N1913.6°180.0°
C4C3C5C20.2°0.2°
C4C3C5H5179.8°180.0°
H4C4C3C180.5°0.0°
H4C4C3C5179.7°180.0°
C3C18N20N19179.3°180.0°
C3C18N20H20180.0°180.0°
C3C18N19H1910.4°0.0°
C3C18N19H192179.6°180.0°
C18C3C5C2179.4°179.7°
C18C3C5H50.6°0.1°
C5C3C18N2013.6°179.9°
C5C3C18N19167.2°0.0°
C3C5C2H5180.0°179.8°
C3C5C2H2179.6°179.8°
N20C18N19H191179.6°180.0°
N20C18N19H1920.3°0.0°
N19C18N20H200.8°0.0°
C18N19H191H192180.0°180.0°
H5C5C2H20.4°0.0°
C11C8C7H8180.0°180.0°
C8C11C9C101.6°0.3°
C8C11C9H9178.3°179.7°
C11C8C7C121.2°0.0°
C11C8C7O23179.5°179.9°
C9C11C8C71.6°0.3°
C9C11C8H8178.4°179.8°
C11C9C10H9180.0°180.0°
C11C9C10C21179.8°180.0°
C11C9C10C121.3°0.0°
C8C7C12C100.8°0.3°
C8C7C12O23179.3°179.9°
C8C7C12H12179.2°180.0°
C8C7O23C2469.8°180.0°
H8C8C7C12178.8°180.0°
H8C8C7O230.5°0.0°
C9C10C21C12178.5°180.0°
C9C10C21C2275.6°90.0°
C9C10C21H21144.4°150.0°
C9C10C21H212164.3°30.0°
C9C10C12C70.9°0.3°
C9C10C12H12179.1°180.0°
H9C9C10C210.2°0.1°
H9C9C10C12178.7°180.0°
C10C21C22H211120.0°120.1°
C10C21C22H212120.1°120.0°
C10C21H211H212120.1°120.1°
C10C21C22H22123.7°59.9°
C10C21C22H222143.7°60.0°
C10C21C22H22396.3°180.0°
C21C10C12C7179.4°179.7°
C21C10C12H120.6°0.0°
C12C10C21C22102.9°90.0°
C12C10C21H211137.1°30.0°
C12C10C21H21217.2°150.1°
C10C12C7H12180.0°179.7°
C10C12C7O23179.9°179.8°
C22C21H211H212120.1°119.9°
C21C22H221H222120.0°120.0°
C21C22H221H223120.0°120.1°
C21C22H222H223120.0°120.0°
H211C21C22H22196.3°180.0°
H211C21C22H22223.7°60.0°
H211C21C22H223143.7°60.0°
H212C21C22H221143.8°60.0°
H212C21C22H22296.2°180.0°
H212C21C22H22323.8°60.0°
H221C22H222H223120.0°119.9°
C12C7O23C24109.5°0.1°
H12C12C7O230.1°0.1°
C7O23C24C25169.6°180.0°
C7O23C24H24149.6°60.0°
C7O23C24H24273.0°60.1°
O23C24C25H241120.0°120.0°
O23C24C25H242117.4°119.9°
O23C24H241H242117.6°120.0°
O23C24C25C267.4°60.0°
O23C24C25C27125.9°60.0°
O23C24C25C28116.9°179.9°
C25C24H241H242117.6°120.0°
C24C25C26C27118.8°120.0°
C24C25C26C28124.8°120.0°
C24C25C27C28119.9°120.0°
C24C25C26H26173.6°67.9°
C24C25C26H26246.4°172.2°
C24C25C26H263166.4°52.2°
C24C25C27H271112.2°64.9°
C24C25C27H2727.9°175.2°
C24C25C27H273127.9°55.1°
C24C25C28N2949.9°61.9°
C24C25C28H281169.9°178.1°
C24C25C28H28267.8°58.1°
H241C24C25C26112.6°180.0°
H241C24C25C275.9°60.0°
H241C24C25C28123.1°60.0°
H242C24C25C26124.8°60.0°
H242C24C25C27116.7°179.9°
H242C24C25C280.5°60.0°
C26C25C27C28118.5°120.0°
C25C26H261H262120.0°119.9°
C25C26H261H263120.0°120.0°
C25C26H262H263120.0°120.0°
C26C25C27H2719.4°175.2°
C26C25C27H272129.5°55.2°
C26C25C27H273110.6°64.9°
C26C25C28N2975.6°58.1°
C26C25C28H28144.4°61.9°
C26C25C28H282166.7°178.1°
C27C25C26H261167.6°52.1°
C27C25C26H26272.4°67.9°
C27C25C26H26347.6°172.2°
C25C27H271H272120.0°120.0°
C25C27H271H273120.0°120.0°
C25C27H272H273120.0°120.1°
C27C25C28N29167.7°178.1°
C27C25C28H28172.3°58.1°
C27C25C28H28250.0°61.9°
C28C25C26H26151.2°172.1°
C28C25C26H262171.2°52.2°
C28C25C26H26368.8°67.8°
C28C25C27H271128.0°55.2°
C28C25C27H272112.0°64.8°
C28C25C27H2738.0°175.1°
C25C28N29H281120.0°120.0°
C25C28N29H282117.7°120.0°
C25C28H281H282117.9°120.0°
C25C28N29C31124.4°86.2°
C25C28N29C30113.5°149.8°
H261C26H262H263120.0°120.1°
H271C27H272H273120.0°119.9°
N29C28H281H282117.9°120.0°
C28N29C31C30122.8°123.9°
C28N29C31H31110.7°66.3°
C28N29C31H312130.7°173.6°
C28N29C31H313109.3°53.6°
C28N29C30H30161.2°60.0°
C28N29C30H302178.8°180.0°
C28N29C30H30358.8°60.0°
H281C28N29C31115.6°33.8°
H281C28N29C306.5°90.1°
H282C28N29C316.7°153.8°
H282C28N29C30128.8°29.8°
N29C31H311H312120.0°120.0°
N29C31H311H313120.0°120.0°
N29C31H312H313120.0°120.0°
C31N29C30H30161.5°176.1°
C31N29C30H30258.5°56.1°
C31N29C30H303178.5°63.9°
C30N29C31H311133.5°57.6°
C30N29C31H312106.5°62.4°
C30N29C31H31313.5°177.6°
N29C30H301H302120.0°120.0°
N29C30H301H303120.0°120.0°
N29C30H302H303120.0°120.0°
H311C31H312H313120.0°120.0°
H301C30H302H303120.0°120.0°

222624

PDB entries from 2024-07-17

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