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IYM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11O10sing1.43Å1.40Å
O10C9sing1.36Å1.41Å
O3C2sing1.43Å1.41Å
O3C4sing1.36Å1.41Å
C2C1sing1.53Å1.53Å
C9C4doub1.39Å1.42ÅAromatic
C9C8sing1.38Å1.40ÅAromatic
C4C5sing1.38Å1.42ÅAromatic
C8C7doub1.39Å1.45ÅAromatic
C5C6doub1.39Å1.43ÅAromatic
C7C6sing1.38Å1.36ÅAromatic
C7C12sing1.51Å1.50Å
C6C23sing1.51Å1.56Å
C12C13sing1.53Å1.52Å
C23N14sing1.47Å1.51Å
C23C24sing1.53Å1.53Å
C13N14sing1.47Å1.48Å
N14C15sing1.35Å1.53Å
C15O16doub1.22Å1.18Å
C15N17sing1.35Å1.47Å
C24C25sing1.53Å1.60Å
C22N17sing1.47Å1.44Å
C22C21sing1.53Å1.53Å
N17C18sing1.47Å1.45Å
C18C19sing1.53Å1.52Å
C21O20sing1.43Å1.41Å
O20C19sing1.43Å1.40Å
C25C26sing1.51Å1.59Å
C26C27doub1.34Å1.40ÅAromatic
C26C36sing1.47Å1.44ÅAromatic
C27N28sing1.37Å1.34ÅAromatic
C35C36doub1.40Å1.42ÅAromatic
C35C32sing1.38Å1.42ÅAromatic
C36C29sing1.41Å1.37ÅAromatic
C34O33sing1.43Å1.41Å
O33C32sing1.36Å1.40Å
N28C29sing1.38Å1.36ÅAromatic
C32C31doub1.39Å1.40ÅAromatic
C29C30doub1.39Å1.44ÅAromatic
C31C30sing1.38Å1.39ÅAromatic
C13H1sing1.09Å1.10Å
C13H2sing1.09Å1.10Å
C21H3sing1.09Å1.10Å
C21H4sing1.09Å1.10Å
C22H5sing1.09Å1.10Å
C22H6sing1.09Å1.10Å
C24H7sing1.09Å1.10Å
C24H8sing1.09Å1.10Å
C1H9sing1.09Å1.10Å
C1H10sing1.09Å1.10Å
C1H11sing1.09Å1.10Å
C2H12sing1.09Å1.10Å
C2H13sing1.09Å1.10Å
C5H14sing1.08Å1.08Å
C8H15sing1.08Å1.08Å
C11H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C11H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C12H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C19H23sing1.09Å1.10Å
C19H24sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
C25H26sing1.09Å1.10Å
C25H27sing1.09Å1.10Å
C27H28sing1.08Å1.08Å
N28H281sing0.97Å1.00Å
C30H29sing1.08Å1.08Å
C31H30sing1.08Å1.08Å
C34H31sing1.09Å1.10Å
C34H32sing1.09Å1.10Å
C34H33sing1.09Å1.10Å
C35H34sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11O10C9113.7°117.0°
O10C11H16109.5°109.5°
O10C11H17109.5°109.4°
O10C11H18109.5°109.5°
O10C9C4119.8°120.1°
O10C9C8120.1°120.2°
C2O3C4114.2°117.0°
O3C2C1108.1°109.5°
O3C2H12109.8°109.5°
O3C2H13109.8°109.4°
O3C4C9120.1°120.3°
O3C4C5119.4°120.2°
C2C1H9109.5°109.5°
C2C1H10109.5°109.5°
C2C1H11109.5°109.5°
C1C2H12109.8°109.5°
C1C2H13109.8°109.5°
C4C9C8120.2°119.7°
C9C4C5120.6°119.5°
C9C8C7118.1°120.6°
C9C8H15120.9°119.7°
C4C5C6119.2°120.6°
C4C5H14120.4°119.7°
C8C7C6122.4°119.7°
C8C7C12117.8°117.5°
C7C8H15120.9°119.7°
C5C6C7119.6°119.9°
C5C6C23122.3°117.8°
C6C5H14120.5°119.7°
C6C7C12119.8°122.8°
C7C6C23118.1°122.3°
C7C12C13110.7°110.9°
C7C12H19109.2°109.1°
C7C12H20109.2°109.2°
C6C23N14112.5°109.7°
C6C23C24108.1°109.4°
C6C23H25107.7°109.4°
C12C13N14116.8°107.9°
C12C13H1107.6°109.7°
C12C13H2107.6°109.8°
C13C12H19109.2°109.2°
C13C12H20109.2°109.3°
N14C23C24112.0°109.5°
C23N14C13116.5°117.3°
C23N14C15125.7°121.4°
N14C23H25108.3°109.4°
C23C24C25116.8°109.4°
C23C24H7107.6°109.4°
C23C24H8107.6°109.5°
C24C23H25108.1°109.4°
C13N14C15117.8°121.3°
N14C13H1107.6°109.8°
N14C13H2107.6°109.8°
N14C15O16116.1°120.0°
N14C15N17127.2°120.0°
O16C15N17116.6°120.0°
C15N17C22126.2°121.0°
C15N17C18120.0°121.0°
C24C25C26113.9°109.5°
C25C24H7107.6°109.5°
C25C24H8107.6°109.4°
C24C25H26108.4°109.5°
C24C25H27108.4°109.4°
N17C22C21118.8°108.4°
C22N17C18113.8°118.0°
N17C22H5107.1°109.7°
N17C22H6107.1°109.7°
C22C21O20114.0°109.2°
C22C21H3108.3°109.6°
C22C21H4108.3°109.5°
C21C22H5107.1°109.7°
C21C22H6107.1°109.6°
N17C18C19116.0°108.4°
N17C18H21107.8°109.6°
N17C18H22107.8°109.7°
C18C19O20110.7°109.2°
C19C18H21107.8°109.7°
C19C18H22107.8°109.7°
C18C19H23109.1°109.5°
C18C19H24109.1°109.5°
C21O20C19109.1°114.2°
O20C21H3108.3°109.5°
O20C21H4108.3°109.5°
O20C19H23109.2°109.5°
O20C19H24109.2°109.6°
C25C26C27126.7°126.6°
C25C26C36127.5°126.5°
C26C25H26108.3°109.5°
C26C25H27108.3°109.5°
C27C26C36105.8°107.0°
C26C27N28109.2°110.0°
C26C27H28125.4°124.9°
C26C36C35133.8°133.9°
C26C36C29106.3°106.1°
C27N28C29109.3°109.8°
N28C27H28125.4°125.1°
C27N28H281125.4°125.1°
C36C35C32119.9°119.6°
C35C36C29120.0°120.0°
C36C35H34120.1°120.2°
C35C32O33120.3°119.9°
C35C32C31120.0°120.3°
C32C35H34120.1°120.2°
C36C29N28109.5°107.2°
C36C29C30120.3°119.5°
C34O33C32114.1°117.0°
O33C34H31109.5°109.5°
O33C34H32109.5°109.5°
O33C34H33109.4°109.4°
O33C32C31119.7°119.8°
N28C29C30130.3°133.3°
C29N28H281125.3°125.1°
C32C31C30120.0°120.6°
C32C31H30120.0°119.7°
C29C30C31119.9°120.0°
C29C30H29120.1°120.0°
C31C30H29120.1°120.0°
C30C31H30120.0°119.7°
H1C13H2109.4°109.8°
H3C21H4109.5°109.5°
H5C22H6109.5°109.7°
H7C24H8109.5°109.5°
H9C1H10109.4°109.5°
H9C1H11109.5°109.4°
H10C1H11109.4°109.4°
H12C2H13109.4°109.5°
H16C11H17109.4°109.4°
H16C11H18109.4°109.5°
H17C11H18109.5°109.5°
H19C12H20109.4°109.1°
H21C18H22109.4°109.7°
H23C19H24109.5°109.5°
H26C25H27109.5°109.5°
H31C34H32109.4°109.5°
H31C34H33109.5°109.5°
H32C34H33109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11O10C9C495.2°180.0°
C11O10C9C884.9°0.1°
O10C11H16H17120.0°119.9°
O10C11H16H18120.0°120.1°
O10C11H17H18120.0°120.0°
O10C9C4O30.3°0.3°
O10C9C4C8179.9°179.9°
O10C9C4C5179.9°179.8°
O10C9C8C7179.7°179.9°
O10C9C8H150.3°0.1°
C9O10C11H16180.0°180.0°
C9O10C11H1760.0°60.1°
C9O10C11H1860.0°59.9°
O3C2C1H12119.8°120.1°
O3C2C1H13119.8°119.9°
C2O3C4C9101.0°180.0°
C2O3C4C579.4°0.0°
O3C2C1H9180.0°60.1°
O3C2C1H1060.0°60.0°
O3C2C1H1160.0°180.0°
O3C2H12H13120.6°120.0°
C4O3C2C1118.3°180.0°
O3C4C9C5179.7°180.0°
O3C4C9C8179.8°179.8°
O3C4C5C6180.0°179.8°
C4O3C2H121.6°60.0°
C4O3C2H13121.9°60.0°
O3C4C5H140.1°0.3°
C2C1H9H10120.0°120.1°
C2C1H9H11120.0°120.0°
C2C1H10H11120.0°120.0°
C1C2H12H13120.6°120.0°
C4C9C8C70.2°0.1°
C9C4C5C60.3°0.2°
C9C4C5H14179.7°179.8°
C4C9C8H15179.9°179.9°
C8C9C4C50.2°0.2°
C9C8C7H15180.0°180.0°
C9C8C7C60.4°0.4°
C9C8C7C12179.6°179.2°
C4C5C6H14180.0°179.9°
C4C5C6C70.1°0.2°
C4C5C6C23179.9°179.5°
C8C7C6C50.3°0.4°
C8C7C6C12179.2°179.6°
C8C7C6C23179.6°179.1°
C8C7C12C13138.6°160.3°
C8C7C12H1918.4°39.9°
C8C7C12H20101.2°79.3°
C5C6C7C23179.9°179.6°
C5C6C7C12179.5°179.2°
C5C6C23N14142.2°169.1°
C5C6C23C2493.6°70.8°
C5C6C23H2523.0°49.0°
C6C7C12C1340.6°20.1°
C7C6C23N1437.6°11.4°
C7C6C23C2486.5°108.8°
C7C6C5H14180.0°179.9°
C6C7C8H15179.6°179.6°
C6C7C12H19160.8°140.5°
C6C7C12H2079.6°100.3°
C7C6C23H25156.9°131.4°
C12C7C6C230.4°1.2°
C7C12C13H19120.2°120.3°
C7C12C13H20120.2°120.4°
C7C12C13N1445.0°47.6°
C7C12C13H176.1°167.2°
C7C12C13H2166.1°72.1°
C12C7C8H150.4°0.8°
C7C12H19H20119.4°119.2°
C6C23N14C24122.0°120.1°
C6C23N14H25118.9°120.1°
C6C23C24H25116.3°119.8°
C6C23N14C1331.6°44.4°
C6C23N14C15147.4°135.7°
C6C23C24C25124.2°171.0°
C6C23C24H73.1°51.1°
C6C23C24H8114.8°69.0°
C23C6C5H140.1°0.5°
C12C13N14C238.9°64.3°
C12C13N14H1121.1°119.6°
C12C13N14H2121.1°119.6°
C12C13N14C15172.1°115.8°
C12C13H1H2116.6°120.8°
C13C12H19H20119.4°119.4°
N14C23C24H25119.2°119.9°
C23N14C13C15179.0°179.9°
C23N14C15O16179.5°178.9°
C23N14C15N171.3°1.2°
N14C23C24C250.3°50.8°
C23N14C13H1112.2°176.1°
C23N14C13H2129.9°55.3°
N14C23C24H7121.3°69.2°
N14C23C24H8120.8°170.7°
C24C23N14C1390.5°75.7°
C24C23N14C1590.6°104.2°
C23C24C25H7121.1°119.9°
C23C24C25H8121.1°120.0°
C23C24C25C2695.2°172.8°
C23C24H7H8116.7°120.0°
C23C24C25H2625.5°67.2°
C23C24C25H27144.2°52.8°
C13N14C15O160.6°1.0°
C13N14C15N17179.8°178.8°
N14C13H1H2116.6°120.8°
N14C13C12H19165.2°167.9°
N14C13C12H2075.2°72.8°
C13N14C23H25150.5°164.4°
N14C15O16N17179.3°179.9°
N14C15N17C221.5°161.0°
N14C15N17C18179.6°19.1°
C15N14C13H166.8°3.8°
C15N14C13H251.0°124.6°
C15N14C23H2528.5°15.6°
O16C15N17C22179.3°18.9°
O16C15N17C181.2°161.0°
C15N17C22C18178.2°179.9°
C15N17C22C21159.9°129.4°
C15N17C18C19151.1°129.4°
C15N17C22H538.6°9.7°
C15N17C22H678.8°110.9°
C15N17C18H2187.9°9.7°
C15N17C18H2230.2°110.9°
C24C25C26H26120.7°120.0°
C24C25C26H27120.7°120.0°
C24C25C26C27114.7°95.0°
C24C25C26C3665.8°84.7°
C25C24H7H8116.6°120.0°
C25C24C23H25119.5°69.1°
C24C25H26H27118.0°120.0°
N17C22C21H5121.3°119.8°
N17C22C21H6121.3°119.7°
C22N17C18C1930.5°50.5°
N17C22C21O2034.8°52.2°
N17C22C21H385.8°172.2°
N17C22C21H4155.5°67.7°
N17C22H5H6115.8°120.6°
C22N17C18H2190.4°170.2°
C22N17C18H22151.5°69.2°
C21C22N17C1821.9°50.5°
C22C21O20H3120.6°120.0°
C22C21O20H4120.7°119.9°
C22C21O20C1955.4°62.6°
C22C21H3H4117.9°120.1°
C21C22H5H6115.8°120.5°
N17C18C19H21121.0°119.7°
N17C18C19H22120.9°119.8°
N17C18C19O2053.1°52.3°
C18N17C22H5143.2°170.2°
C18N17C22H699.4°69.2°
N17C18H21H22117.0°120.5°
N17C18C19H23173.3°67.6°
N17C18C19H2467.1°172.3°
C18C19O20C2164.1°62.6°
C18C19O20H23120.2°119.9°
C18C19O20H24120.2°119.9°
C19C18H21H22117.0°120.5°
C18C19H23H24119.4°120.1°
O20C21H3H4117.9°120.1°
O20C21C22H5156.1°172.0°
O20C21C22H686.5°67.4°
C21O20C19H23175.7°57.4°
C21O20C19H2456.1°177.5°
C19O20C21H365.2°177.5°
C19O20C21H4176.1°57.4°
O20C19C18H2167.9°172.0°
O20C19C18H22174.1°67.5°
O20C19H23H24119.5°120.2°
C25C26C27C36179.6°179.7°
C25C26C27N28179.6°179.7°
C25C26C36C350.7°0.3°
C25C26C36C29179.7°179.8°
C26C25C24H7143.8°52.9°
C26C25C24H825.9°67.2°
C26C25H26H27117.9°120.0°
C25C26C27H280.4°0.3°
C26C27N28H28180.0°180.0°
C27C26C36C35179.8°180.0°
C27C26C36C290.1°0.0°
C26C27N28C290.1°0.0°
C27C26C25H266.0°145.0°
C27C26C25H27124.6°25.0°
C26C27N28H281179.8°179.9°
C36C26C27N280.0°0.0°
C26C36C35C29179.6°180.0°
C26C36C35C32179.8°180.0°
C26C36C29N280.2°0.0°
C26C36C29C30179.9°180.0°
C36C26C25H26173.5°35.3°
C36C26C25H2754.9°155.3°
C36C26C27H28180.0°180.0°
C26C36C35H340.2°0.0°
C27N28C29C360.2°0.1°
C27N28C29H281180.0°179.9°
C27N28C29C30179.9°180.0°
C36C35C32H34180.0°180.0°
C36C35C32O33179.9°180.0°
C35C36C29N28179.9°180.0°
C36C35C32C310.0°0.0°
C35C36C29C300.2°0.0°
C32C35C36C290.1°0.0°
C35C32O33C3440.2°180.0°
C35C32O33C31179.9°180.0°
C35C32C31C300.1°0.0°
C35C32C31H30179.9°180.0°
C36C29N28C30179.9°179.9°
C36C29C30C310.1°0.0°
C36C29N28H281179.7°179.9°
C36C29C30H29179.9°180.0°
C29C36C35H34179.9°180.0°
C34O33C32C31139.7°0.0°
O33C34H31H32120.0°120.0°
O33C34H31H33120.0°120.0°
O33C34H32H33120.0°119.9°
O33C32C31C30180.0°180.0°
O33C32C31H300.0°0.0°
C32O33C34H31180.0°60.0°
C32O33C34H3260.0°60.0°
C32O33C34H3360.0°180.0°
O33C32C35H340.1°0.0°
N28C29C30C31180.0°179.9°
C29N28C27H28179.8°179.9°
N28C29C30H290.0°0.1°
C32C31C30C290.0°0.0°
C32C31C30H30180.0°180.0°
C32C31C30H29180.0°179.9°
C31C32C35H34180.0°180.0°
C29C30C31H29180.0°180.0°
C30C29N28H2810.2°0.1°
C29C30C31H30180.0°180.0°
H1C13C12H1944.1°72.5°
H1C13C12H20163.7°46.8°
H2C13C12H1973.7°48.2°
H2C13C12H2045.9°167.5°
H3C21C22H535.5°68.0°
H3C21C22H6152.9°52.5°
H4C21C22H583.2°52.1°
H4C21C22H634.2°172.6°
H7C24C23H25119.4°170.9°
H7C24C25H2695.6°172.9°
H7C24C25H2723.1°67.1°
H8C24C23H251.6°50.8°
H8C24C25H26146.5°52.8°
H8C24C25H2794.8°172.8°
H9C1H10H11120.0°119.9°
H9C1C2H1260.2°60.0°
H9C1C2H1360.2°180.0°
H10C1C2H12179.8°180.0°
H10C1C2H1359.8°60.0°
H11C1C2H1259.8°60.0°
H11C1C2H13179.8°60.0°
H16C11H17H18119.9°120.0°
H21C18C19H2352.3°52.1°
H21C18C19H24172.0°68.0°
H22C18C19H2365.8°172.6°
H22C18C19H2453.9°52.5°
H28C27N28H2810.2°0.0°
H29C30C31H300.0°0.0°
H31C34H32H33120.0°120.0°

221051

PDB entries from 2024-06-12

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