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EID

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C09C08doub1.38Å1.38ÅAromatic
C09C10sing1.38Å1.38ÅAromatic
C01C02sing1.53Å1.52Å
C08C07sing1.38Å1.38ÅAromatic
C02C03sing1.51Å1.52Å
C10C11doub1.38Å1.38ÅAromatic
C07C06doub1.39Å1.39ÅAromatic
C11C06sing1.39Å1.39ÅAromatic
C06N05sing1.40Å1.46Å
C03N05sing1.35Å1.45Å
C03O04doub1.21Å1.18Å
N05C12sing1.47Å1.50Å
C12C13sing1.53Å1.48Å
C12C27sing1.51Å1.53Å
C12C25sing1.53Å1.52Å
O28C27doub1.21Å1.18Å
C13C14sing1.53Å1.49Å
C27O29sing1.34Å1.40Å
C26C25sing1.53Å1.51Å
C25C24sing1.53Å1.57Å
C30O29sing1.45Å1.40Å
C14N15sing1.47Å1.43Å
C24N15sing1.47Å1.51Å
N15C16sing1.47Å1.43Å
C16C17sing1.53Å1.53Å
C17C18sing1.51Å1.54Å
C18C23doub1.38Å1.39ÅAromatic
C18C19sing1.38Å1.39ÅAromatic
C23C22sing1.38Å1.39ÅAromatic
C19C20doub1.38Å1.39ÅAromatic
C22C21doub1.38Å1.39ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
C02H4sing1.09Å1.10Å
C02H5sing1.09Å1.10Å
C07H6sing1.08Å1.08Å
C08H7sing1.08Å1.08Å
C09H8sing1.08Å1.08Å
C10H9sing1.08Å1.08Å
C11H10sing1.08Å1.08Å
C13H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H18sing1.09Å1.10Å
C19H19sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C24H24sing1.09Å1.10Å
C24H25sing1.09Å1.10Å
C25H26sing1.09Å1.10Å
C26H27sing1.09Å1.10Å
C26H28sing1.09Å1.10Å
C26H29sing1.09Å1.10Å
C30H30sing1.09Å1.10Å
C30H31sing1.09Å1.10Å
C30H32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C08C09C10121.1°120.2°
C09C08C07119.7°120.1°
C09C08H7120.2°120.0°
C08C09H8119.4°120.0°
C09C10C11119.5°120.0°
C10C09H8119.4°119.9°
C09C10H9120.3°120.0°
C01C02C03108.9°109.5°
C02C01H1109.5°109.5°
C02C01H2109.5°109.5°
C02C01H3109.4°109.5°
C01C02H4109.6°109.5°
C01C02H5109.6°109.5°
C08C07C06119.8°119.9°
C08C07H6120.1°120.0°
C07C08H7120.1°120.0°
C02C03N05119.7°120.0°
C02C03O04118.3°120.0°
C03C02H4109.6°109.5°
C03C02H5109.6°109.5°
C10C11C06119.9°119.9°
C11C10H9120.3°120.0°
C10C11H10120.0°120.1°
C07C06C11120.0°119.8°
C07C06N05119.8°120.1°
C06C07H6120.1°120.0°
C11C06N05120.2°120.1°
C06C11H10120.1°120.0°
C06N05C03117.4°120.0°
C06N05C12121.4°120.0°
N05C03O04121.9°120.0°
C03N05C12121.2°120.0°
N05C12C13111.0°109.5°
N05C12C27108.8°109.5°
N05C12C25111.5°109.6°
C13C12C27108.7°109.6°
C13C12C25107.7°109.1°
C12C13C14113.7°109.3°
C12C13H11108.4°109.4°
C12C13H12108.4°109.5°
C27C12C25109.2°109.5°
C12C27O28120.3°120.0°
C12C27O29120.0°120.0°
C12C25C26110.5°109.5°
C12C25C24110.3°109.3°
C12C25H26109.2°109.5°
O28C27O29119.7°120.0°
C13C14N15106.1°109.5°
C14C13H11108.4°109.5°
C14C13H12108.4°109.6°
C13C14H13110.3°109.5°
C13C14H14110.3°109.4°
C27O29C30114.2°117.0°
C26C25C24108.7°109.5°
C26C25H26109.5°109.6°
C25C26H27109.5°109.5°
C25C26H28109.5°109.5°
C25C26H29109.5°109.5°
C25C24N15111.5°109.5°
C25C24H24109.0°109.5°
C25C24H25109.0°109.5°
C24C25H26108.6°109.5°
O29C30H30109.5°109.5°
O29C30H31109.5°109.4°
O29C30H32109.5°109.5°
C14N15C24110.4°111.2°
C14N15C16108.1°111.0°
N15C14H13110.3°109.5°
N15C14H14110.3°109.5°
C24N15C16108.8°111.0°
N15C24H24109.0°109.4°
N15C24H25108.9°109.5°
N15C16C17110.0°109.4°
N15C16H15109.3°109.5°
N15C16H16109.3°109.5°
C16C17C18109.5°109.5°
C17C16H15109.3°109.4°
C17C16H16109.3°109.5°
C16C17H17109.4°109.5°
C16C17H18109.4°109.5°
C17C18C23120.0°120.0°
C17C18C19119.9°120.0°
C18C17H17109.5°109.5°
C18C17H18109.5°109.5°
C23C18C19120.1°120.0°
C18C23C22119.7°120.0°
C18C23H23120.1°120.0°
C18C19C20119.8°120.0°
C18C19H19120.1°120.0°
C23C22C21120.0°120.0°
C23C22H22120.0°120.0°
C22C23H23120.1°120.0°
C19C20C21120.3°120.0°
C20C19H19120.1°120.0°
C19C20H20119.8°120.0°
C22C21C20120.0°120.0°
C22C21H21120.0°120.0°
C21C22H22120.0°120.0°
C21C20H20119.8°120.0°
C20C21H21120.0°120.0°
H1C01H2109.5°109.5°
H1C01H3109.5°109.4°
H2C01H3109.5°109.5°
H4C02H5109.5°109.4°
H11C13H12109.5°109.5°
H13C14H14109.5°109.4°
H15C16H16109.5°109.5°
H17C17H18109.5°109.4°
H24C24H25109.4°109.4°
H27C26H28109.5°109.4°
H27C26H29109.5°109.5°
H28C26H29109.4°109.5°
H30C30H31109.5°109.6°
H30C30H32109.5°109.4°
H31C30H32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C08C09C10H8180.0°180.0°
C09C08C07H7180.0°179.9°
C08C09C10C110.1°0.2°
C09C08C07C060.6°0.1°
C09C08C07H6179.4°179.9°
C08C09C10H9179.9°180.0°
C10C09C08C070.1°0.1°
C09C10C11H9180.0°179.7°
C09C10C11C060.4°0.6°
C10C09C08H7179.9°180.0°
C09C10C11H10179.5°180.0°
C01C02C03H4119.9°120.0°
C01C02C03H5119.9°120.0°
C01C02C03N05151.2°116.3°
C01C02C03O0429.2°63.8°
C02C01H1H2120.0°120.0°
C02C01H1H3120.0°120.0°
C02C01H2H3120.0°120.0°
C01C02H4H5120.3°120.0°
C08C07C06H6180.0°180.0°
C08C07C06C110.9°0.3°
C08C07C06N05179.8°180.0°
C07C08C09H8179.9°180.0°
C02C03N05C060.7°0.7°
C02C03N05O04179.6°179.9°
C02C03N05C12179.6°179.3°
C03C02C01H1180.0°180.0°
C03C02C01H260.0°60.0°
C03C02C01H360.0°60.0°
C03C02H4H5120.3°120.0°
C10C11C06C070.9°0.6°
C10C11C06H10180.0°179.4°
C10C11C06N05179.7°179.7°
C11C10C09H8179.9°179.7°
C07C06C11N05178.9°179.7°
C07C06N05C0388.9°65.0°
C07C06N05C1290.0°115.0°
C06C07C08H7179.5°180.0°
C07C06C11H10179.1°180.0°
C11C06N05C0390.0°115.3°
C11C06N05C1291.2°64.7°
C11C06C07H6179.1°179.7°
C06C11C10H9179.6°179.7°
C06N05C03C12178.9°180.0°
C06N05C03O04179.7°179.2°
C06N05C12C135.0°137.6°
C06N05C12C27124.6°17.4°
C06N05C12C25115.0°102.7°
N05C06C07H60.2°0.0°
N05C06C11H100.3°0.3°
C03N05C12C13173.8°42.4°
C03N05C12C2754.3°162.6°
C03N05C12C2566.2°77.2°
N05C03C02H431.3°3.8°
N05C03C02H588.9°123.7°
O04C03N05C120.8°0.8°
O04C03C02H4149.1°176.2°
O04C03C02H590.7°56.2°
N05C12C13C27119.6°120.2°
N05C12C13C25122.3°119.9°
N05C12C27C25121.9°120.2°
N05C12C27O2877.6°139.3°
N05C12C13C14176.5°177.6°
N05C12C27O29101.2°40.7°
N05C12C25C2652.1°57.7°
N05C12C25C24172.3°177.6°
N05C12C13H1155.9°62.5°
N05C12C13H1262.8°57.6°
N05C12C25H2668.4°62.5°
C13C12C27C25117.2°119.7°
C13C12C27O2843.3°100.5°
C12C13C14H11120.6°119.8°
C12C13C14H12120.6°120.0°
C13C12C27O29137.8°79.5°
C13C12C25C2669.8°62.3°
C13C12C25C2450.3°57.7°
C12C13C14N1567.8°59.2°
C12C13H11H12118.0°120.1°
C12C13C14H1351.7°60.9°
C12C13C14H14172.7°179.3°
C13C12C25H26169.6°177.6°
C12C27O28O29178.9°180.0°
C27C12C13C1456.9°62.2°
C27C12C25C26172.3°177.8°
C27C12C25C2467.5°62.2°
C12C27O29C30163.1°180.0°
C27C12C13H1163.7°57.7°
C27C12C13H12177.6°177.8°
C27C12C25H2651.8°57.6°
C25C12C27O28160.5°19.1°
C25C12C13C1461.2°57.7°
C25C12C27O2920.6°160.8°
C12C25C26C24121.1°119.8°
C12C25C26H26120.4°120.1°
C12C25C24H26119.7°119.9°
C12C25C24N1550.3°59.2°
C25C12C13H11178.1°177.6°
C25C12C13H1259.4°62.3°
C12C25C24H24170.6°179.2°
C12C25C24H2570.1°60.8°
C12C25C26H27180.0°65.4°
C12C25C26H2860.0°174.6°
C12C25C26H2960.0°54.6°
O28C27O29C3015.8°0.0°
C13C14N15H13119.4°120.1°
C13C14N15H14119.5°120.0°
C13C14N15C2463.1°61.8°
C13C14N15C16178.0°174.1°
C14C13H11H12118.1°120.2°
C13C14H13H14121.5°119.9°
C27O29C30H30180.0°60.0°
C27O29C30H3160.0°60.1°
C27O29C30H3260.0°179.9°
C26C25C24H26119.0°120.1°
C26C25C24N1571.0°60.8°
C26C25C24H2449.3°59.2°
C26C25C24H25168.7°179.2°
C25C26H27H28120.0°120.0°
C25C26H27H29120.0°120.0°
C25C26H28H29120.0°120.0°
C25C24N15C1457.6°61.8°
C25C24N15H24120.3°120.0°
C25C24N15H25120.3°120.0°
C25C24N15C16176.2°174.1°
C25C24H24H25119.1°120.0°
C24C25C26H2758.9°174.8°
C24C25C26H2861.1°54.8°
C24C25C26H29178.9°65.2°
O29C30H30H31120.0°120.0°
O29C30H30H32120.0°119.9°
O29C30H31H32120.0°120.0°
C14N15C24C16118.5°124.1°
C14N15C16C17134.0°66.0°
N15C14C13H11171.6°179.1°
N15C14C13H1252.8°60.7°
N15C14H13H14121.6°120.0°
C14N15C16H15105.9°53.9°
C14N15C16H1614.0°173.9°
C14N15C24H24178.0°178.2°
C14N15C24H2562.7°58.3°
C24N15C16C17106.0°169.8°
C24N15C14H1356.4°58.3°
C24N15C14H14177.4°178.2°
C24N15C16H1514.1°70.3°
C24N15C16H16133.9°49.7°
N15C24H24H25119.0°120.0°
N15C24C25H26169.9°179.1°
N15C16C17H15120.1°120.0°
N15C16C17H16120.1°120.0°
N15C16C17C18157.1°180.0°
C16N15C14H1362.6°65.8°
C16N15C14H1458.5°54.2°
N15C16H15H16119.7°120.1°
N15C16C17H1737.0°60.0°
N15C16C17H1882.9°60.0°
C16N15C24H2463.5°54.1°
C16N15C24H2555.8°65.8°
C16C17C18H17120.0°120.0°
C16C17C18H18120.0°120.0°
C16C17C18C2312.6°90.0°
C16C17C18C19167.3°89.7°
C17C16H15H16119.8°120.0°
C16C17H17H18120.0°120.0°
C17C18C23C19179.9°179.8°
C17C18C23C22179.9°179.7°
C17C18C19C20180.0°180.0°
C18C17C16H1582.8°60.0°
C18C17C16H1637.0°60.0°
C18C17H17H18120.0°120.0°
C17C18C19H190.0°0.0°
C17C18C23H230.1°0.0°
C18C23C22H23180.0°179.7°
C23C18C19C200.1°0.2°
C18C23C22C210.0°0.5°
C23C18C17H17132.6°30.0°
C23C18C17H18107.4°150.0°
C23C18C19H19179.9°179.7°
C18C23C22H22180.0°179.7°
C19C18C23C220.1°0.5°
C18C19C20H19180.0°180.0°
C18C19C20C210.1°0.0°
C19C18C17H1747.3°150.3°
C19C18C17H1872.7°30.3°
C18C19C20H20179.9°180.0°
C19C18C23H23180.0°179.8°
C23C22C21H22180.0°179.8°
C23C22C21C200.0°0.2°
C23C22C21H21180.0°179.8°
C19C20C21C220.0°0.0°
C19C20C21H20180.0°179.9°
C19C20C21H21180.0°179.9°
C22C21C20H21180.0°179.9°
C22C21C20H20180.0°180.0°
C21C22C23H23180.0°179.8°
C21C20C19H19179.9°180.0°
C20C21C22H22180.0°180.0°
H1C01H2H3120.0°119.9°
H1C01C02H460.1°60.0°
H1C01C02H560.1°59.9°
H2C01C02H459.9°60.0°
H2C01C02H5179.9°179.9°
H3C01C02H4179.9°180.0°
H3C01C02H559.9°60.0°
H6C07C08H70.5°0.0°
H7C08C09H80.1°0.0°
H8C09C10H90.1°0.0°
H9C10C11H100.4°0.3°
H11C13C14H1368.9°59.0°
H11C13C14H1452.1°60.9°
H12C13C14H13172.3°179.2°
H12C13C14H1466.7°59.3°
H15C16C17H17157.1°60.0°
H15C16C17H1837.1°180.0°
H16C16C17H1783.0°180.0°
H16C16C17H18157.0°60.0°
H19C19C20H200.1°0.1°
H20C20C21H210.0°0.0°
H21C21C22H220.0°0.0°
H22C22C23H230.0°0.0°
H24C24C25H2669.7°60.9°
H25C24C25H2649.6°59.1°
H26C25C26H2759.6°54.7°
H26C25C26H28179.6°65.3°
H26C25C26H2960.4°174.7°
H27C26H28H29120.0°120.0°
H30C30H31H32120.0°120.0°

223532

PDB entries from 2024-08-07

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