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78O

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C39O46sing1.43Å1.42Å
O46C26sing1.43Å1.44Å
C26C27sing1.53Å1.55Å
C26C24sing1.53Å1.56Å
C25C24sing1.53Å1.53Å
C27C28sing1.53Å1.54Å
C34C35doub1.38Å1.40ÅAromatic
C34C33sing1.40Å1.40ÅAromatic
C24C23sing1.51Å1.54Å
C35C36sing1.38Å1.40ÅAromatic
C37C33sing1.48Å1.47Å
C37C38doub1.33Å1.34Å
C28C38sing1.51Å1.51Å
C23O44doub1.21Å1.22Å
C33C32doub1.40Å1.41ÅAromatic
C36C31doub1.38Å1.40ÅAromatic
O45C29doub1.21Å1.22Å
C32C31sing1.38Å1.43ÅAromatic
N2N1sing1.45Å1.42Å
N2C8sing1.47Å1.48Å
C31C30sing1.51Å1.53Å
N1C7sing1.47Å1.47Å
C7C6sing1.53Å1.52Å
C29C8sing1.51Å1.52Å
C29O47sing1.34Å1.35Å
C8C5sing1.53Å1.53Å
C30O47sing1.45Å1.45Å
C30C40sing1.53Å1.52Å
C5C6sing1.53Å1.53Å
N2H1sing1.01Å1.00Å
C5H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C7H9sing1.09Å1.10Å
C8H10sing1.09Å1.10Å
C24H23sing1.09Å1.10Å
C25H24sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H26sing1.09Å1.10Å
C26H27sing1.09Å1.10Å
C27H28sing1.09Å1.10Å
C27H29sing1.09Å1.10Å
C28H30sing1.09Å1.10Å
C28H31sing1.09Å1.10Å
C30H32sing1.09Å1.10Å
C32H33sing1.08Å1.08Å
C34H34sing1.08Å1.08Å
C35H35sing1.08Å1.08Å
C36H36sing1.08Å1.08Å
C37H37sing1.08Å1.08Å
C38H38sing1.08Å1.08Å
C39H39sing1.09Å1.10Å
C39H40sing1.09Å1.10Å
C39H41sing1.09Å1.10Å
C40H42sing1.09Å1.10Å
C40H43sing1.09Å1.10Å
C40H44sing1.09Å1.10Å
C23OXTsing1.34Å1.38Å
OXTHXTsing0.97Å0.95Å
N1H2sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C39O46C26117.2°114.0°
O46C39H39109.5°109.5°
O46C39H40109.5°109.5°
O46C39H41109.5°109.4°
O46C26C27113.8°109.5°
O46C26C24109.9°109.5°
O46C26H27105.2°109.5°
C27C26C24118.3°109.5°
C26C27C28116.4°109.5°
C27C26H27104.1°109.5°
C26C27H28107.7°109.5°
C26C27H29107.7°109.5°
C26C24C25113.7°109.5°
C26C24C23113.5°109.5°
C26C24H23107.0°109.5°
C24C26H27104.0°109.5°
C25C24C23107.9°109.4°
C25C24H23107.2°109.5°
C24C25H24109.5°109.5°
C24C25H25109.4°109.5°
C24C25H26109.4°109.5°
C27C28C38119.7°109.5°
C28C27H28107.7°109.4°
C28C27H29107.7°109.5°
C27C28H30106.9°109.5°
C27C28H31106.9°109.5°
C35C34C33119.9°119.9°
C34C35C36120.9°120.1°
C35C34H34120.1°120.0°
C34C35H35119.5°120.0°
C34C33C37119.9°120.2°
C34C33C32118.6°119.7°
C33C34H34120.1°120.1°
C24C23O44122.4°120.0°
C23C24H23107.2°109.5°
C24C23OXT114.4°120.0°
C35C36C31121.6°120.3°
C36C35H35119.6°119.9°
C35C36H36119.2°119.8°
C33C37C38125.7°120.0°
C37C33C32121.5°120.2°
C33C37H37117.2°120.0°
C37C38C28125.7°120.0°
C38C37H37117.1°120.0°
C37C38H38117.1°120.0°
C38C28H30106.9°109.5°
C38C28H31106.8°109.5°
C28C38H38117.1°120.0°
O44C23OXT123.2°120.0°
C33C32C31122.1°119.9°
C33C32H33118.9°120.0°
C36C31C32116.9°120.1°
C36C31C30121.1°119.9°
C31C36H36119.2°119.9°
O45C29C8125.2°120.0°
O45C29O47126.0°120.0°
C32C31C30122.0°119.9°
C31C32H33118.9°120.1°
N1N2C8109.9°111.1°
N2N1C7113.9°111.1°
N1N2H1109.3°111.0°
N2N1H2108.3°111.0°
N2C8C29106.8°109.5°
N2C8C5111.4°109.4°
C8N2H1109.4°111.0°
N2C8H10110.4°109.5°
C31C30O47110.7°109.5°
C31C30C40115.1°109.5°
C31C30H32108.4°109.5°
N1C7C6108.3°109.4°
N1C7H8109.8°109.4°
N1C7H9109.8°109.5°
C7N1H2108.3°111.0°
C7C6C5108.7°109.1°
C7C6H6109.7°109.6°
C7C6H7109.7°109.6°
C6C7H8109.8°109.5°
C6C7H9109.8°109.5°
C8C29O47108.8°120.1°
C29C8C5108.9°109.5°
C29C8H10109.8°109.4°
C29O47C30118.2°117.0°
C8C5C6111.1°109.1°
C8C5H4109.1°109.6°
C8C5H5109.1°109.6°
C5C8H10109.6°109.6°
O47C30C40104.5°109.5°
O47C30H32109.5°109.5°
C40C30H32108.5°109.5°
C30C40H42109.5°109.5°
C30C40H43109.4°109.5°
C30C40H44109.4°109.4°
C6C5H4109.1°109.5°
C6C5H5109.1°109.5°
C5C6H6109.7°109.5°
C5C6H7109.7°109.5°
H4C5H5109.5°109.5°
H6C6H7109.5°109.5°
H8C7H9109.4°109.4°
H24C25H25109.4°109.5°
H24C25H26109.5°109.4°
H25C25H26109.5°109.4°
H28C27H29109.5°109.5°
H30C28H31109.5°109.4°
H39C39H40109.4°109.5°
H39C39H41109.4°109.5°
H40C39H41109.5°109.5°
H42C40H43109.5°109.5°
H42C40H44109.5°109.5°
H43C40H44109.5°109.5°
C23OXTHXT109.5°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C39O46C26C2776.4°99.5°
C39O46C26C24148.3°140.5°
C39O46C26H2736.9°20.4°
O46C39H39H40120.0°120.0°
O46C39H39H41120.0°120.0°
O46C39H40H41120.0°120.0°
O46C26C27C24131.3°120.0°
O46C26C27H27113.9°120.0°
O46C26C24H27112.2°120.0°
O46C26C24C2557.4°180.0°
O46C26C27C2867.6°65.0°
O46C26C24C2366.4°60.0°
O46C26C24H23175.6°60.0°
O46C26C27H2853.4°175.0°
O46C26C27H29171.4°54.9°
C26O46C39H39180.0°60.5°
C26O46C39H4060.0°59.5°
C26O46C39H4160.0°179.5°
C27C26C24H27114.8°120.0°
C27C26C24C25169.5°60.0°
C26C27C28H28121.0°120.0°
C26C27C28H29121.0°120.0°
C27C26C24C2366.7°180.0°
C26C27C28C38158.9°174.8°
C27C26C24H2351.3°60.0°
C26C27H28H29116.9°120.0°
C26C27C28H3079.7°65.2°
C26C27C28H3137.5°54.7°
C26C24C25C23126.8°120.0°
C26C24C25H23118.1°120.0°
C24C26C27C2863.7°175.0°
C26C24C23H23117.9°120.0°
C26C24C23O44130.4°0.0°
C26C24C25H24180.0°60.0°
C26C24C25H2560.0°180.0°
C26C24C25H2660.0°60.0°
C24C26C27H28175.3°55.0°
C24C26C27H2957.3°65.1°
C26C24C23OXT48.0°180.0°
C25C24C23H23115.2°120.0°
C25C24C23O44102.6°120.0°
C24C25H24H25120.0°120.1°
C24C25H24H26120.0°120.0°
C24C25H25H26119.9°120.0°
C25C24C26H2754.8°60.0°
C25C24C23OXT78.9°60.0°
C27C28C38C370.2°125.0°
C27C28C38H30121.4°120.0°
C27C28C38H31121.4°120.0°
C28C27C26H27178.4°54.9°
C28C27H28H29116.9°120.0°
C27C28H30H31115.4°119.9°
C27C28C38H38179.8°55.0°
C35C34C33H34180.0°179.7°
C34C35C36H35180.0°179.8°
C35C34C33C37180.0°180.0°
C35C34C33C320.3°0.0°
C34C35C36C310.9°0.5°
C34C35C36H36179.1°180.0°
C33C34C35C360.6°0.3°
C34C33C37C32179.7°179.9°
C34C33C37C38155.7°0.1°
C34C33C32C310.4°0.0°
C34C33C32H33179.6°180.0°
C33C34C35H35179.4°180.0°
C34C33C37H3724.4°180.0°
C24C23O44OXT178.3°180.0°
C23C24C25H2453.2°60.0°
C23C24C25H25173.2°60.0°
C23C24C25H2666.8°180.0°
C23C24C26H27178.6°60.0°
C24C23OXTHXT178.4°180.0°
C35C36C31H36180.0°179.5°
C35C36C31C320.9°0.5°
C35C36C31C30179.8°179.7°
C36C35C34H34179.4°180.0°
C33C37C38H37180.0°179.9°
C33C37C38C28180.0°180.0°
C37C33C32C31179.9°180.0°
C37C33C32H330.1°0.1°
C37C33C34H340.0°0.3°
C33C37C38H380.0°0.1°
C37C38C28H38180.0°179.9°
C38C37C33C3224.7°180.0°
C37C38C28H30121.6°4.9°
C37C38C28H31121.3°115.0°
C38C28C27H2837.9°54.8°
C38C28C27H2980.1°65.3°
C38C28H30H31115.4°120.0°
C28C38C37H370.0°0.1°
O44C23C24H2312.6°120.0°
O44C23OXTHXT0.0°0.0°
C33C32C31C360.6°0.3°
C33C32C31H33180.0°179.9°
C33C32C31C30179.5°180.0°
C32C33C34H34179.7°179.8°
C32C33C37H37155.3°0.1°
C36C31C32C30178.9°179.8°
C36C31C30O47156.7°39.7°
C36C31C30C4085.0°80.3°
C36C31C30H3236.6°159.7°
C36C31C32H33179.4°179.8°
C31C36C35H35179.1°179.7°
O45C29C8N253.1°20.0°
O45C29C8O47179.2°180.0°
O45C29C8C567.3°99.9°
O45C29O47C300.3°0.0°
O45C29C8H10172.7°140.1°
C32C31C30O4724.4°140.0°
C32C31C30C4093.8°100.0°
C32C31C30H32144.5°20.0°
C32C31C36H36179.1°180.0°
N1N2C8H1120.0°124.0°
N2N1C7H2120.6°124.0°
N2N1C7C663.0°60.0°
N1N2C8C29173.4°180.0°
N1N2C8C554.6°60.0°
N2N1C7H8177.1°180.0°
N2N1C7H956.8°60.0°
N1N2C8H1067.3°60.0°
C8N2N1C761.4°62.0°
N2C8C29C5120.4°119.9°
N2C8C29H10119.7°120.0°
N2C8C29O47126.2°160.0°
N2C8C5H10122.4°120.0°
N2C8C5C652.9°57.7°
N2C8C5H467.4°177.6°
N2C8C5H5173.1°62.2°
C8N2N1H259.2°62.0°
C31C30O47C2971.4°150.0°
C31C30O47C40124.5°120.0°
C31C30O47H32119.4°120.0°
C31C30C40H32121.6°120.0°
C30C31C32H330.5°0.0°
C30C31C36H360.2°0.3°
C31C30C40H42180.0°180.0°
C31C30C40H4360.0°60.0°
C31C30C40H4460.0°60.0°
N1C7C6H8119.8°120.0°
N1C7C6H9119.8°120.0°
N1C7C6C557.1°57.7°
C7N1N2H158.6°62.0°
N1C7C6H662.8°177.6°
N1C7C6H7177.0°62.2°
N1C7H8H9120.5°120.0°
C7C6C5C853.8°56.7°
C7C6C5H6119.9°119.9°
C7C6C5H7119.9°120.0°
C7C6C5H466.4°176.5°
C7C6C5H5174.1°63.3°
C7C6H6H7120.3°120.3°
C6C7H8H9120.5°120.1°
C6C7N1H257.6°64.0°
C29C8C5H10120.1°120.0°
C8C29O47C30178.9°180.0°
C29C8C5C6170.4°177.7°
C29C8N2H153.3°56.0°
C29C8C5H450.2°62.5°
C29C8C5H569.4°57.8°
O47C29C8C5113.5°80.1°
C29O47C30C40164.0°90.0°
O47C29C8H106.5°40.0°
C29O47C30H3248.0°30.0°
C8C5C6H4120.2°119.9°
C8C5C6H5120.2°120.0°
C5C8N2H165.4°64.0°
C8C5H4H5119.3°120.2°
C8C5C6H666.1°176.6°
C8C5C6H7173.7°63.3°
O47C30C40H32116.7°120.0°
O47C30C40H4258.3°60.0°
O47C30C40H43178.4°180.0°
O47C30C40H4461.7°60.0°
C30C40H42H43120.0°120.0°
C30C40H42H44120.0°119.9°
C30C40H43H44120.0°120.0°
C6C5H4H5119.3°120.1°
C5C6H6H7120.4°120.1°
C5C6C7H8177.0°177.7°
C5C6C7H962.7°62.3°
C6C5C8H1069.5°62.3°
H1N2C8H10172.6°176.0°
H1N2N1H2179.2°174.0°
H4C5C6H6173.7°63.5°
H4C5C6H753.5°56.6°
H4C5C8H10170.2°57.6°
H5C5C6H654.2°56.6°
H5C5C6H766.1°176.7°
H5C5C8H1050.7°177.8°
H6C6C7H857.1°62.4°
H6C6C7H9177.4°57.6°
H7C6C7H863.2°57.8°
H7C6C7H957.1°177.8°
H8C7N1H262.3°56.0°
H9C7N1H2177.4°176.0°
H23C24C25H2461.9°180.0°
H23C24C25H2558.1°60.0°
H23C24C25H26178.0°60.0°
H23C24C26H2763.4°180.0°
H23C24C23OXT165.9°60.0°
H24C25H25H26120.0°119.9°
H27C26C27H2860.6°65.0°
H27C26C27H2957.4°174.9°
H28C27C28H30159.3°174.8°
H28C27C28H3183.5°65.2°
H29C27C28H3041.3°54.8°
H29C27C28H31158.5°174.7°
H30C28C38H3858.4°175.0°
H31C28C38H3858.7°65.0°
H32C30C40H4258.4°60.0°
H32C30C40H4361.6°60.0°
H32C30C40H44178.4°180.0°
H34C34C35H350.6°0.2°
H35C35C36H360.9°0.2°
H37C37C38H38179.9°NaN°
H39C39H40H41119.9°120.0°
H42C40H43H44120.0°120.0°

224931

PDB entries from 2024-09-11

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