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LU1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O14C6doub1.22Å1.21Å
C2C6sing1.48Å1.49Å
C6N16sing1.35Å1.32Å
C4C2doub1.40Å1.39ÅAromatic
C2C3sing1.40Å1.41ÅAromatic
C9C3doub1.39Å1.41ÅAromatic
C3O20sing1.36Å1.34Å
O20HO20sing0.97Å0.95Å
C10C9sing1.38Å1.39ÅAromatic
C9O21sing1.36Å1.35Å
O21HO21sing0.97Å0.95Å
C7C10doub1.40Å1.42ÅAromatic
C10H10sing1.08Å1.08Å
C7C4sing1.39Å1.39ÅAromatic
C4H4sing1.08Å1.08Å
C13C7sing1.48Å1.49ÅAromatic
C18C13doub1.39Å1.40ÅAromatic
C13C17sing1.39Å1.40ÅAromatic
C24C17doub1.38Å1.41ÅAromatic
C17H17sing1.08Å1.08Å
C23C24sing1.39Å1.38ÅAromatic
C24H24sing1.08Å1.08Å
C25C18sing1.38Å1.36ÅAromatic
C18H18sing1.08Å1.08Å
C25C23doub1.39Å1.39ÅAromatic
C25H25sing1.08Å1.08Å
F26C23sing1.35Å1.33Å
N16C27sing1.47Å1.47Å
N16HN16sing0.97Å1.00Å
C19C27sing1.51Å1.51Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C15C19doub1.31Å1.30Å
C19H19sing1.08Å1.08Å
C12C15sing1.51Å1.49Å
C15H15sing1.08Å1.08Å
C11C12sing1.55Å1.52Å
C12O5sing1.44Å1.45Å
C12H12sing1.09Å1.10Å
C11C8sing1.55Å1.54Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
O22C8sing1.43Å1.41Å
C8C1sing1.54Å1.54Å
C8H8sing1.09Å1.10Å
O22HO22sing0.97Å0.95Å
C1O5sing1.44Å1.42Å
C1N28sing1.46Å1.47Å
C1H1sing1.09Å1.10Å
N28C32sing1.36Å1.39ÅAromatic
N28C29sing1.37Å1.35ÅAromatic
C29N33sing1.33Å1.35ÅAromatic
C29C30doub1.41Å1.42ÅAromatic
N31C30sing1.36Å1.36ÅAromatic
C30C34sing1.40Å1.37ÅAromatic
C32N31doub1.30Å1.31ÅAromatic
C32H32sing1.08Å1.08Å
N33C36doub1.32Å1.33ÅAromatic
C36N35sing1.32Å1.35ÅAromatic
C36H36sing1.08Å1.08Å
C34N35doub1.32Å1.35ÅAromatic
C34C37sing1.51Å1.48Å
C37H37sing1.09Å1.10Å
C37H37Asing1.09Å1.10Å
C37H37Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O14C6C2123.0°120.0°
O14C6N16120.4°120.0°
C2C6N16116.5°120.0°
C6C2C4115.1°120.1°
C6C2C3124.2°120.1°
C6N16C27120.1°120.0°
C6N16HN16119.9°120.0°
C4C2C3120.7°119.8°
C2C4C7122.3°119.9°
C2C4H4118.9°120.0°
C2C3C9118.0°119.9°
C2C3O20124.2°120.1°
C9C3O20117.8°120.1°
C3C9C10120.3°120.2°
C3C9O21117.0°119.9°
C3O20HO20109.5°114.0°
C10C9O21122.7°119.9°
C9C10C7122.2°120.2°
C9C10H10118.9°119.9°
C9O21HO21109.5°114.0°
C7C10H10118.9°119.9°
C10C7C4116.6°120.1°
C10C7C13121.1°120.0°
C7C4H4118.9°120.1°
C4C7C13122.3°119.9°
C7C13C18121.6°120.1°
C7C13C17119.6°120.1°
C18C13C17118.8°119.8°
C13C18C25122.1°119.9°
C13C18H18119.0°120.0°
C13C17C24119.8°119.9°
C13C17H17120.1°120.0°
C24C17H17120.1°120.1°
C17C24C23118.4°120.1°
C17C24H24120.8°120.0°
C23C24H24120.8°119.9°
C24C23C25122.4°120.2°
C24C23F26118.4°120.0°
C25C18H18118.9°120.1°
C18C25C23118.4°120.1°
C18C25H25120.8°120.0°
C23C25H25120.8°120.0°
C25C23F26119.2°119.9°
C27N16HN16119.9°120.0°
N16C27C19107.6°109.5°
N16C27H27110.1°109.4°
N16C27H27A110.1°109.5°
C19C27H27110.1°109.4°
C19C27H27A110.1°109.5°
C27C19C15125.8°120.0°
C27C19H19117.1°120.0°
H27C27H27A108.9°109.5°
C15C19H19117.1°120.0°
C19C15C12124.7°120.0°
C19C15H15117.6°120.0°
C12C15H15117.7°120.0°
C15C12C11111.1°110.6°
C15C12O5111.2°110.6°
C15C12H12106.1°110.6°
C11C12O5105.9°103.5°
C11C12H12111.4°110.7°
C12C11C899.8°102.1°
C12C11H11112.8°110.9°
C12C11H11A112.8°111.0°
O5C12H12111.3°110.6°
C12O5C1108.1°107.0°
C8C11H11112.8°110.9°
C8C11H11A112.8°110.9°
C11C8O22114.3°110.4°
C11C8C199.5°104.2°
C11C8H8114.6°110.5°
H11C11H11A105.9°110.8°
O22C8C1113.8°110.5°
O22C8H8100.4°110.5°
C8O22HO22109.5°114.0°
C1C8H8115.0°110.5°
C8C1O5106.9°107.3°
C8C1N28113.5°109.9°
C8C1H1108.2°109.9°
O5C1N28108.4°109.9°
O5C1H1113.3°109.8°
N28C1H1106.7°110.0°
C1N28C32125.1°126.3°
C1N28C29127.1°126.2°
C32N28C29107.1°107.5°
N28C32N31112.0°110.1°
N28C32H32124.0°124.9°
N28C29N33130.0°135.1°
N28C29C30105.1°106.0°
N33C29C30124.8°119.0°
C29N33C36113.2°120.5°
C29C30N31109.8°107.0°
C29C30C34116.8°118.2°
N31C30C34133.3°134.8°
C30N31C32105.8°109.5°
C30C34N35119.0°118.6°
C30C34C37121.9°120.7°
N31C32H32124.0°125.0°
N33C36N35126.4°122.4°
N33C36H36116.8°118.8°
N35C36H36116.8°118.8°
C36N35C34119.5°121.3°
N35C34C37119.1°120.7°
C34C37H37109.5°109.5°
C34C37H37A109.4°109.5°
C34C37H37B109.5°109.5°
H37C37H37A109.5°109.5°
H37C37H37B109.4°109.5°
H37AC37H37B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O14C6C2N16179.0°179.8°
O14C6C2C412.9°179.7°
O14C6C2C3169.0°0.0°
O14C6N16C274.5°0.0°
O14C6N16HN16175.5°179.9°
C6C2C4C3178.2°179.7°
C6C2C3C9177.9°180.0°
C6C2C3O204.3°0.0°
C6C2C4C7178.8°179.7°
C6C2C4H41.2°0.0°
C2C6N16C27174.4°179.8°
C2C6N16HN165.5°0.3°
N16C6C2C4166.1°0.0°
N16C6C2C312.0°179.7°
C6N16C27HN16180.0°179.9°
C6N16C27C19156.4°180.0°
C6N16C27H2783.6°60.1°
C6N16C27H27A36.4°60.0°
C4C2C3C90.1°0.3°
C4C2C3O20177.7°179.7°
C2C4C7C101.1°0.6°
C2C4C7H4180.0°179.7°
C2C4C7C13179.8°179.7°
C2C3C9O20177.9°180.0°
C2C3O20HO20180.0°90.0°
C2C3C9C100.2°0.0°
C2C3C9O21179.7°180.0°
C3C2C4C70.6°0.6°
C3C2C4H4179.4°179.7°
C9C3O20HO202.2°90.0°
C3C9C10O21179.4°179.9°
C3C9O21HO21180.0°90.0°
C3C9C10C70.3°0.0°
C3C9C10H10179.7°180.0°
O20C3C9C10177.7°180.0°
O20C3C9O211.8°0.0°
C10C9O21HO210.6°90.0°
C9C10C7H10180.0°180.0°
C9C10C7C41.0°0.3°
C9C10C7C13179.7°180.0°
O21C9C10C7179.1°180.0°
O21C9C10H100.9°0.1°
C10C7C4C13178.7°179.7°
C10C7C4H4178.9°179.7°
C10C7C13C18141.6°179.7°
C10C7C13C1739.6°0.0°
H10C10C7C4179.0°179.7°
H10C10C7C130.3°0.0°
C4C7C13C1837.0°0.1°
C4C7C13C17141.7°179.7°
H4C4C7C130.2°0.0°
C7C13C18C17178.8°179.6°
C7C13C17C24179.7°180.0°
C7C13C17H170.3°0.1°
C7C13C18C25179.3°180.0°
C7C13C18H180.7°0.1°
C18C13C17C240.9°0.3°
C18C13C17H17179.1°179.7°
C13C18C25H18180.0°179.9°
C13C18C25C231.3°0.1°
C13C18C25H25178.7°180.0°
C13C17C24H17180.0°180.0°
C13C17C24C230.5°0.0°
C13C17C24H24179.5°180.0°
C17C13C18C251.9°0.3°
C17C13C18H18178.1°179.8°
C17C24C23H24180.0°180.0°
C17C24C23C251.1°0.3°
C17C24C23F26179.2°180.0°
H17C17C24C23179.5°180.0°
H17C17C24H240.5°0.0°
C24C23C25C180.2°0.2°
C24C23C25F26179.7°179.7°
C24C23C25H25179.8°179.7°
H24C24C23C25178.9°179.7°
H24C24C23F260.8°0.0°
C18C25C23H25180.0°179.9°
C18C25C23F26179.9°180.0°
H18C18C25C23178.6°180.0°
H18C18C25H251.3°0.1°
H25C25C23F260.1°0.0°
N16C27C19H27120.0°119.9°
N16C27C19H27A120.0°120.0°
N16C27H27H27A120.7°120.0°
N16C27C19C15134.6°125.0°
N16C27C19H1945.4°55.1°
HN16N16C27C1923.6°0.1°
HN16N16C27H2796.4°120.0°
HN16N16C27H27A143.6°119.9°
C19C27H27H27A120.8°120.1°
C27C19C15H19180.0°180.0°
C27C19C15C12178.0°180.0°
C27C19C15H152.0°0.0°
H27C27C19C15105.5°5.1°
H27C27C19H1974.5°175.0°
H27AC27C19C1514.6°115.0°
H27AC27C19H19165.4°65.0°
C19C15C12H15180.0°179.9°
C19C15C12C11165.5°120.5°
C19C15C12O576.8°6.5°
C19C15C12H1244.3°116.4°
H19C19C15C122.0°0.0°
H19C19C15H15178.0°179.9°
C15C12C11O5120.8°118.5°
C15C12C11H12118.1°122.9°
C15C12O5H12118.1°122.9°
C15C12C11C883.4°155.5°
C15C12C11H1136.6°37.3°
C15C12C11H11A156.5°86.3°
C15C12O5C1104.8°158.5°
H15C15C12C1114.5°59.5°
H15C15C12O5103.2°173.6°
H15C15C12H12135.7°63.5°
C11C12O5H12121.2°118.6°
C12C11C8H11120.0°118.2°
C12C11C8H11A120.0°118.2°
C12C11H11H11A123.9°123.7°
C12C11C8O22164.3°97.8°
C12C11C8C142.6°20.9°
C12C11C8H880.6°139.6°
C11C12O5C116.0°40.0°
O5C12C11C837.4°37.0°
O5C12C11H11157.4°81.2°
O5C12C11H11A82.6°155.2°
C12O5C1C812.6°26.5°
C12O5C1N28135.2°145.9°
C12O5C1H1106.5°92.9°
H12C12C11C8158.5°81.6°
H12C12C11H1181.5°160.2°
H12C12C11H11A38.5°36.6°
H12C12O5C1137.1°78.6°
C8C11H11H11A123.9°123.6°
C11C8O22C1113.4°114.7°
C11C8O22H8123.1°122.6°
C11C8C1H8122.9°118.7°
C11C8O22HO22180.0°61.5°
C11C8C1O535.3°2.0°
C11C8C1N28154.7°121.5°
C11C8C1H187.1°117.3°
H11C11C8O2275.7°144.0°
H11C11C8C1162.6°97.4°
H11C11C8H839.4°21.3°
H11AC11C8O2244.2°20.4°
H11AC11C8C177.4°139.1°
H11AC11C8H8159.4°102.2°
O22C8C1H8115.1°122.7°
O22C8C1O5157.3°120.7°
O22C8C1N2883.2°119.9°
O22C8C1H134.9°1.3°
C1C8O22HO2266.6°176.2°
C8C1O5N28122.7°119.4°
C8C1O5H1119.1°119.4°
C8C1N28H1119.0°121.1°
C8C1N28C3258.1°95.1°
C8C1N28C29132.9°85.3°
H8C8O22HO2256.9°61.1°
H8C8C1O587.6°116.7°
H8C8C1N2831.9°2.8°
H8C8C1H1150.0°124.0°
O5C1N28H1122.4°121.1°
O5C1N28C3260.5°22.8°
O5C1N28C29108.5°156.9°
C1N28C32C29170.9°179.7°
C1N28C29N339.0°0.1°
C1N28C29C30174.6°180.0°
C1N28C32N31174.7°179.8°
C1N28C32H325.3°0.0°
H1C1N28C32177.1°143.8°
H1C1N28C2913.9°35.8°
C32N28C29N33179.7°179.7°
C32N28C29C304.0°0.3°
N28C32N31C301.8°0.5°
N28C32N31H32180.0°179.8°
N28C29N33C30175.7°180.0°
N28C29C30N313.1°0.0°
N28C29C30C34174.0°180.0°
C29N28C32N313.8°0.5°
C29N28C32H32176.2°179.7°
N28C29N33C36177.7°179.9°
N33C29C30N31179.7°180.0°
N33C29C30C342.7°0.0°
C29N33C36N354.8°0.0°
C29N33C36H36175.2°180.0°
C29C30N31C34176.3°179.9°
C29C30N31C320.8°0.3°
C30C29N33C362.0°0.0°
C29C30C34N354.9°0.0°
C29C30C34C37175.1°180.0°
C30N31C32H32178.2°179.7°
N31C30C34N35179.0°179.9°
N31C30C34C371.1°0.0°
C34C30N31C32175.5°179.7°
C30C34N35C362.6°0.0°
C30C34N35C37179.9°180.0°
C30C34C37H37179.9°90.0°
C30C34C37H37A60.1°150.0°
C30C34C37H37B59.9°30.0°
N33C36N35H36180.0°180.0°
N33C36N35C342.7°0.0°
C36N35C34C37177.4°180.0°
H36C36N35C34177.3°180.0°
N35C34C37H370.0°90.0°
N35C34C37H37A120.0°30.0°
N35C34C37H37B120.0°150.0°
C34C37H37H37A120.0°120.0°
C34C37H37H37B120.0°120.0°
C34C37H37AH37B120.0°120.0°
H37C37H37AH37B120.0°120.0°

222415

PDB entries from 2024-07-10

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