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IN0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C7sing1.50Å1.55Å
C1C2doub1.39Å1.42ÅAromatic
C1C21sing1.38Å1.41ÅAromatic
C7C17sing1.51Å1.53Å
C7O6sing1.42Å1.44Å
C7H7sing1.09Å1.11Å
C17C28doub1.36Å1.41ÅAromatic
C17C15sing1.40Å1.41ÅAromatic
C28C27sing1.39Å1.41ÅAromatic
C28H28sing1.08Å1.10Å
C27C26doub1.36Å1.41ÅAromatic
C27H27sing1.08Å1.10Å
C26C16sing1.40Å1.41ÅAromatic
C26H26sing1.08Å1.10Å
C16C29doub1.41Å1.40ÅAromatic
C16C15sing1.42Å1.41ÅAromatic
C29C30sing1.36Å1.40ÅAromatic
C29H29sing1.08Å1.10Å
C30C31doub1.39Å1.40ÅAromatic
C30H30sing1.08Å1.10Å
C31C33sing1.36Å1.39ÅAromatic
C31H31sing1.08Å1.10Å
C33C15doub1.41Å1.41ÅAromatic
C33H33sing1.08Å1.10Å
O6C5sing1.42Å1.44Å
C5C14sing1.53Å1.54Å
C5C4sing1.50Å1.54Å
C5H5sing1.09Å1.12Å
C14C11sing1.51Å1.51Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.12Å
C11O58doub1.21Å1.23Å
C11N23sing1.35Å1.35Å
N23C38sing1.46Å1.46Å
N23H23sing0.97Å1.02Å
C38C61sing1.53Å1.56Å
C38C60sing1.51Å1.53Å
C38H38sing1.09Å1.12Å
C61C62sing1.51Å1.51Å
C61H611sing1.09Å1.12Å
C61H612sing1.09Å1.11Å
C62O64sing1.34Å1.34Å
C62O63doub1.21Å1.23Å
O64H64sing0.97Å0.95Å
C60O66doub1.21Å1.35Å
C60O65sing1.34Å1.23Å
O65H65sing0.97Å0.95Å
C4O13doub1.21Å1.22Å
C4N3sing1.35Å1.37Å
N3C2sing1.41Å1.43Å
N3C43sing1.46Å1.48Å
C2C8sing1.39Å1.39ÅAromatic
C8C9doub1.38Å1.40ÅAromatic
C8H8sing1.08Å1.10Å
C9C20sing1.38Å1.40ÅAromatic
C9H9sing1.08Å1.10Å
C20CL36sing1.74Å1.74Å
C20C21doub1.38Å1.41ÅAromatic
C21H21sing1.08Å1.10Å
C43C10sing1.53Å1.58Å
C43H431sing1.09Å1.11Å
C43H432sing1.09Å1.12Å
C10C32sing1.53Å1.57Å
C10C25sing1.53Å1.56Å
C10C24sing1.53Å1.56Å
C32H321sing1.09Å1.11Å
C32H322sing1.09Å1.12Å
C32H323sing1.09Å1.12Å
C25H251sing1.09Å1.11Å
C25H252sing1.09Å1.11Å
C25H253sing1.09Å1.12Å
C24H241sing1.09Å1.11Å
C24H242sing1.09Å1.12Å
C24H243sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C1C2119.9°119.5°
C7C1C21120.8°120.9°
C1C7C17115.9°109.0°
C1C7O6111.9°111.2°
C1C7H7103.2°109.2°
C2C1C21119.3°119.7°
C1C2N3119.2°118.3°
C1C2C8120.3°120.6°
C1C21C20119.9°120.0°
C1C21H21120.1°120.0°
C17C7O6110.0°109.1°
C17C7H7105.4°109.1°
C7C17C28120.5°120.2°
C7C17C15119.5°120.2°
O6C7H7110.0°109.1°
C7O6C5114.3°108.3°
C28C17C15120.0°119.6°
C17C28C27120.4°121.0°
C17C28H28120.1°119.5°
C17C15C16119.5°119.4°
C17C15C33120.6°121.3°
C27C28H28119.6°119.5°
C28C27C26119.6°121.0°
C28C27H27120.2°119.5°
C26C27H27120.1°119.5°
C27C26C16120.2°119.6°
C27C26H26119.6°120.1°
C16C26H26120.2°120.2°
C26C16C29120.4°121.3°
C26C16C15120.2°119.4°
C29C16C15119.4°119.3°
C16C29C30120.2°119.7°
C16C29H29119.7°120.2°
C16C15C33119.8°119.3°
C30C29H29120.1°120.2°
C29C30C31120.4°121.0°
C29C30H30119.9°119.5°
C31C30H30119.6°119.5°
C30C31C33119.7°121.0°
C30C31H31120.4°119.5°
C33C31H31119.9°119.5°
C31C33C15120.4°119.6°
C31C33H33119.1°120.2°
C15C33H33120.5°120.2°
O6C5C14108.2°108.9°
O6C5C4112.1°112.1°
O6C5H5110.1°109.0°
C14C5C4113.6°109.0°
C14C5H5108.5°108.9°
C5C14C11112.6°109.5°
C5C14H141111.1°109.4°
C5C14H142111.1°109.5°
C4C5H5104.3°109.0°
C5C4O13118.3°120.2°
C5C4N3118.1°119.7°
C11C14H141111.0°109.5°
C11C14H142111.0°109.4°
C14C11O58120.0°120.0°
C14C11N23117.2°120.0°
H141C14H14299.3°109.6°
O58C11N23122.8°120.0°
C11N23C38119.5°120.0°
C11N23H23116.5°120.0°
C38N23H23124.0°120.0°
N23C38C61112.4°109.5°
N23C38C60109.7°109.5°
N23C38H38108.1°109.5°
C61C38C60111.8°109.5°
C61C38H38105.9°109.4°
C38C61C62113.4°109.5°
C38C61H611110.7°109.4°
C38C61H612110.7°109.5°
C60C38H38108.7°109.5°
C38C60O66119.5°120.0°
C38C60O65119.8°120.0°
C62C61H611110.8°109.5°
C62C61H612110.8°109.5°
C61C62O64116.2°120.0°
C61C62O63121.8°120.0°
H611C61H61299.6°109.4°
O64C62O63122.1°120.0°
C62O64H64116.1°120.0°
O66C60O65120.7°120.0°
C60O65H65119.9°120.0°
O13C4N3123.6°120.1°
C4N3C2119.4°116.4°
C4N3C43120.5°121.8°
C2N3C43119.8°121.7°
N3C2C8120.5°121.1°
N3C43C10120.1°109.5°
N3C43H431108.4°109.5°
N3C43H432108.4°109.4°
C2C8C9120.0°119.4°
C2C8H8119.9°120.3°
C9C8H8120.0°120.3°
C8C9C20120.4°120.0°
C8C9H9119.7°119.9°
C20C9H9119.9°120.1°
C9C20CL36119.8°119.8°
C9C20C21120.0°120.3°
CL36C20C21120.3°119.9°
C20C21H21120.0°120.0°
C10C43H431108.4°109.5°
C10C43H432108.4°109.4°
C43C10C32110.9°109.5°
C43C10C25111.1°109.5°
C43C10C24111.4°109.4°
H431C43H432101.5°109.4°
C32C10C25107.6°109.5°
C32C10C24108.3°109.5°
C10C32H321110.9°109.5°
C10C32H322111.6°109.5°
C10C32H323111.6°109.5°
C25C10C24107.4°109.5°
C10C25H251111.1°109.4°
C10C25H252111.6°109.5°
C10C25H253111.6°109.5°
C10C24H241111.4°109.5°
C10C24H242111.5°109.5°
C10C24H243111.5°109.5°
H321C32H322111.7°109.5°
H321C32H323111.8°109.4°
H322C32H32398.7°109.5°
H251C25H252111.7°109.5°
H251C25H253111.6°109.4°
H252C25H25398.7°109.5°
H241C24H242111.5°109.5°
H241C24H243111.5°109.4°
H242C24H24398.8°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C1C2C21179.2°179.6°
C1C7C17O6128.1°121.7°
C1C7C17H7113.3°119.2°
C1C7O6H7114.0°120.5°
C1C7C17C2888.3°95.3°
C1C7C17C1592.6°85.0°
C1C7O6C535.8°44.4°
C7C1C2N30.9°1.5°
C7C1C2C8178.4°179.5°
C7C1C21C20179.7°179.5°
C7C1C21H210.3°0.6°
C2C1C7C17161.8°160.2°
C2C1C7O671.0°79.4°
C2C1C7H747.2°41.0°
C1C2N3C450.7°45.7°
C1C2N3C8179.3°179.0°
C1C2N3C43136.2°133.9°
C1C2C8C92.3°0.1°
C1C2C8H8177.8°180.0°
C2C1C21C200.5°0.1°
C2C1C21H21179.5°179.9°
C21C1C7C1719.0°19.4°
C21C1C7O6108.2°101.0°
C21C1C7H7133.6°138.5°
C21C1C2N3178.3°178.9°
C21C1C2C82.4°0.1°
C1C21C20C91.5°0.0°
C1C21C20CL36178.4°180.0°
C1C21C20H21180.0°180.0°
C17C7O6H7115.7°119.1°
C7C17C28C15179.1°179.7°
C7C17C28C27179.4°180.0°
C7C17C28H280.6°0.1°
C7C17C15C16178.0°179.8°
C7C17C15C330.8°0.6°
C17C7O6C5166.1°164.7°
O6C7C17C2839.8°26.4°
O6C7C17C15139.3°153.3°
C7O6C5C14175.8°165.4°
C7O6C5C449.7°44.8°
C7O6C5H565.9°75.9°
H7C7C17C28158.3°145.5°
H7C7C17C1520.8°34.2°
H7C7O6C578.2°76.1°
C17C28C27H28180.0°180.0°
C17C28C27C260.9°0.1°
C17C28C27H27179.1°180.0°
C28C17C15C161.1°0.5°
C28C17C15C33180.0°179.8°
C15C17C28C270.3°0.3°
C15C17C28H28179.7°179.7°
C17C15C16C262.0°0.5°
C17C15C16C29176.9°179.7°
C17C15C16C33178.9°179.2°
C17C15C33C31177.4°179.7°
C17C15C33H332.6°0.4°
C28C27C26H27180.0°179.9°
C28C27C26C160.0°0.0°
C28C27C26H26180.0°180.0°
H28C28C27C26179.2°180.0°
H28C28C27H270.8°0.0°
C27C26C16H26180.0°180.0°
C27C26C16C29177.4°180.0°
C27C26C16C151.4°0.2°
H27C27C26C16180.0°179.9°
H27C27C26H260.0°0.1°
C26C16C29C15178.9°179.8°
C26C16C29C30179.9°180.0°
C26C16C29H290.1°0.0°
C26C16C15C33179.2°179.7°
H26C26C16C292.6°0.0°
H26C26C16C15178.6°179.8°
C16C29C30H29180.0°179.9°
C16C29C30C310.4°0.0°
C16C29C30H30179.6°180.0°
C29C16C15C332.0°0.5°
C15C16C29C301.0°0.3°
C15C16C29H29179.0°179.8°
C16C15C33C311.5°0.5°
C16C15C33H33178.5°179.7°
C29C30C31H30180.0°179.9°
C29C30C31C330.9°0.1°
C29C30C31H31179.0°179.9°
H29C29C30C31179.6°180.0°
H29C29C30H300.4°0.1°
C30C31C33H31179.9°179.9°
C30C31C33C150.0°0.3°
C30C31C33H33180.0°179.9°
H30C30C31C33179.1°180.0°
H30C30C31H311.0°0.1°
C31C33C15H33180.0°179.8°
H31C31C33C15179.9°179.8°
H31C31C33H330.0°0.0°
O6C5C14C4125.2°122.5°
O6C5C14H5119.4°118.7°
O6C5C4H5119.1°120.7°
O6C5C14C11171.4°57.5°
O6C5C14H14163.3°177.5°
O6C5C14H14246.2°62.4°
O6C5C4O13104.1°96.5°
O6C5C4N375.9°83.5°
C14C5C4H5117.9°118.8°
C5C14C11H141125.3°119.9°
C5C14C11H142125.3°120.0°
C5C14H141H142117.0°120.0°
C5C14C11O5825.2°0.0°
C5C14C11N23154.3°180.0°
C14C5C4O1319.0°24.1°
C14C5C4N3161.1°155.9°
C4C5C14C1163.4°180.0°
C4C5C14H14161.9°60.0°
C4C5C14H142171.4°60.1°
C5C4O13N3179.9°180.0°
C5C4N3C23.2°5.2°
C5C4N3C43176.2°175.2°
H5C5C14C1152.1°61.2°
H5C5C14H141177.3°58.8°
H5C5C14H14273.2°178.8°
H5C5C4O13136.8°142.9°
H5C5C4N343.2°37.2°
C11C14H141H142116.9°120.0°
C14C11O58N23179.5°180.0°
C14C11N23C38179.7°180.0°
C14C11N23H230.2°0.0°
H141C14C11O58150.5°119.9°
H141C14C11N2329.0°60.0°
H142C14C11O58100.1°120.0°
H142C14C11N2380.4°60.1°
O58C11N23C380.8°0.0°
O58C11N23H23179.3°180.0°
C11N23C38H23180.0°180.0°
C11N23C38C61104.9°150.0°
C11N23C38C60130.0°90.0°
C11N23C38H3811.6°30.0°
N23C38C61C60123.9°120.0°
N23C38C61H38117.8°120.0°
N23C38C60H38118.0°120.0°
N23C38C61C62103.0°60.0°
N23C38C61H611131.7°60.1°
N23C38C61H61222.2°179.9°
N23C38C60O6652.6°150.0°
N23C38C60O65126.6°30.0°
H23N23C38C6175.1°30.0°
H23N23C38C6049.9°90.0°
H23N23C38H38168.4°150.0°
C61C38C60H38116.5°120.0°
C38C61C62H611125.2°120.0°
C38C61C62H612125.2°120.1°
C38C61H611H612116.6°119.9°
C38C61C62O6481.5°179.9°
C38C61C62O6398.7°0.0°
C61C38C60O6672.8°89.9°
C61C38C60O65107.9°90.0°
C60C38C61C6220.9°180.0°
C60C38C61H611104.3°60.0°
C60C38C61H612146.1°59.9°
C38C60O66O65179.2°179.9°
C38C60O65H65180.0°180.0°
H38C38C61C62139.1°60.0°
H38C38C61H61113.9°179.9°
H38C38C61H61295.6°60.1°
H38C38C60O66170.6°30.0°
H38C38C60O658.6°150.1°
C62C61H611H612116.7°120.1°
C61C62O64O63179.8°179.9°
C61C62O64H64179.9°180.0°
H611C61C62O64153.3°60.0°
H611C61C62O6326.5°119.9°
H612C61C62O6443.7°60.0°
H612C61C62O63136.1°120.1°
O63C62O64H640.3°0.1°
O66C60O65H650.8°0.1°
O13C4N3C2176.9°174.8°
O13C4N3C433.9°4.8°
C4N3C2C43173.0°179.6°
C4N3C2C8129.9°133.3°
C4N3C43C10101.4°95.5°
C4N3C43H43123.9°144.5°
C4N3C43H432133.3°24.5°
N3C2C8C9178.4°179.1°
N3C2C8H81.5°1.0°
C2N3C43C1085.6°84.2°
C2N3C43H431149.1°35.9°
C2N3C43H43239.6°155.9°
C43N3C2C843.1°47.1°
N3C43C10H431125.3°120.1°
N3C43C10H432125.3°120.0°
N3C43H431H432114.0°120.0°
N3C43C10C3260.8°176.9°
N3C43C10C25179.5°56.8°
N3C43C10C2459.9°63.2°
C2C8C9H8180.0°179.9°
C2C8C9C200.2°0.2°
C2C8C9H9179.7°179.7°
C8C9C20H9180.0°179.9°
C8C9C20CL36178.3°179.8°
C8C9C20C211.6°0.2°
H8C8C9C20179.8°179.9°
H8C8C9H90.2°0.2°
C9C20CL36C21179.9°180.0°
C9C20C21H21178.6°180.0°
H9C9C20CL361.7°0.3°
H9C9C20C21178.4°179.7°
CL36C20C21H211.6°0.0°
C10C43H431H432114.1°119.9°
C43C10C32C25121.7°120.1°
C43C10C32C24122.5°119.9°
C43C10C25C24122.0°120.0°
C43C10C32H321180.0°179.9°
C43C10C32H32254.8°60.0°
C43C10C32H32354.7°60.0°
C43C10C25H251180.0°55.0°
C43C10C25H25254.7°175.1°
C43C10C25H25354.7°64.9°
C43C10C24H241180.0°58.9°
C43C10C24H24254.7°61.2°
C43C10C24H24354.7°178.8°
H431C43C10C3264.5°63.0°
H431C43C10C2555.2°176.9°
H431C43C10C24174.8°56.9°
H432C43C10C32174.0°56.9°
H432C43C10C2554.3°63.1°
H432C43C10C2465.4°176.9°
C32C10C25C24116.4°120.0°
C10C32H321H322125.2°120.0°
C10C32H321H323125.3°120.0°
C10C32H322H323117.5°120.0°
C32C10C25H25158.4°65.0°
C32C10C25H25266.9°55.1°
C32C10C25H253176.4°175.1°
C32C10C24H24157.8°61.1°
C32C10C24H242176.9°178.9°
C32C10C24H24367.5°58.9°
C25C10C32H32158.3°60.0°
C25C10C32H322176.5°60.0°
C25C10C32H32367.0°179.9°
C10C25H251H252125.3°120.0°
C10C25H251H253125.2°119.9°
C10C25H252H253117.5°120.0°
C25C10C24H24158.2°178.9°
C25C10C24H24267.1°58.9°
C25C10C24H243176.5°61.1°
C24C10C32H32157.5°60.0°
C24C10C32H32267.7°180.0°
C24C10C32H323177.2°59.9°
C24C10C25H25157.9°175.0°
C24C10C25H252176.7°64.9°
C24C10C25H25367.3°55.1°
C10C24H241H242125.3°120.0°
C10C24H241H243125.3°120.0°
C10C24H242H243117.4°120.0°
H321C32H322H323117.7°120.0°
H251C25H252H253117.5°120.0°
H241C24H242H243117.4°120.0°

225946

PDB entries from 2024-10-09

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