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LLB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C51C50doub1.38Å1.42ÅAromatic
C51C52sing1.39Å1.41ÅAromatic
C50C14sing1.40Å1.41ÅAromatic
O59C52sing1.36Å1.39Å
C52C53doub1.39Å1.40ÅAromatic
C14C11sing1.47Å1.49ÅAromatic
C14C54doub1.40Å1.39ÅAromatic
S10C11sing1.75Å1.71ÅAromatic
S10C3sing1.76Å1.74ÅAromatic
O17C15doub1.22Å1.22Å
C11C12doub1.37Å1.42ÅAromatic
C53C54sing1.38Å1.42ÅAromatic
C3C2doub1.40Å1.41ÅAromatic
C3C4sing1.39Å1.40ÅAromatic
C2C1sing1.38Å1.45ÅAromatic
C12C4sing1.46Å1.47ÅAromatic
C12C15sing1.46Å1.49Å
C4C5doub1.41Å1.45ÅAromatic
C15C16sing1.48Å1.49Å
C1O13sing1.36Å1.36Å
C1C6doub1.39Å1.41ÅAromatic
C5C6sing1.37Å1.43ÅAromatic
C16C22doub1.40Å1.43ÅAromatic
C16C18sing1.40Å1.43ÅAromatic
C22C21sing1.38Å1.43ÅAromatic
C18C19doub1.38Å1.41ÅAromatic
C21C20doub1.39Å1.42ÅAromatic
C19C20sing1.39Å1.39ÅAromatic
C20O27sing1.36Å1.37Å
O27C28sing1.43Å1.40Å
C28C29sing1.53Å1.53Å
C29N61sing1.47Å1.46Å
N61C66sing1.47Å1.50Å
N61C62sing1.47Å1.50Å
C66C65sing1.53Å1.54Å
C62C63sing1.53Å1.53Å
C65C64sing1.53Å1.56Å
C63C64sing1.53Å1.52Å
C64C7sing1.53Å1.54Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H71sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C7H73sing1.09Å1.10Å
C21H21sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C54H54sing1.08Å1.08Å
C53H53sing1.08Å1.08Å
O59HO59sing0.97Å0.95Å
C51H51sing1.08Å1.08Å
C50H50sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
O13HO13sing0.97Å0.95Å
C19H19sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C29H291sing1.09Å1.10Å
C29H292sing1.09Å1.10Å
C66H661sing1.09Å1.10Å
C66H662sing1.09Å1.10Å
C65H651sing1.09Å1.10Å
C65H652sing1.09Å1.10Å
C64H64sing1.09Å1.10Å
C63H631sing1.09Å1.10Å
C63H632sing1.09Å1.10Å
C62H621sing1.09Å1.10Å
C62H622sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C50C51C52118.4°120.1°
C51C50C14120.4°119.9°
C50C51H51120.8°119.9°
C51C50H50119.8°120.1°
C51C52O59117.2°119.9°
C51C52C53120.9°120.2°
C52C51H51120.8°120.0°
C50C14C11118.4°120.1°
C50C14C54120.6°119.8°
C14C50H50119.8°120.0°
O59C52C53122.0°119.9°
C52O59HO59109.5°114.0°
C52C53C54120.0°120.1°
C52C53H53120.0°120.0°
C11C14C54120.9°120.1°
C14C11S10124.7°124.6°
C14C11C12125.5°124.5°
C14C54C53119.6°119.9°
C14C54H54120.2°120.1°
C11S10C395.4°92.7°
S10C11C12109.8°110.9°
S10C3C2131.4°129.8°
S10C3C4109.7°110.5°
O17C15C12119.5°120.0°
O17C15C16119.3°120.0°
C11C12C4112.4°113.7°
C11C12C15124.7°123.1°
C53C54H54120.2°120.1°
C54C53H53120.0°119.9°
C2C3C4118.9°119.7°
C3C2C1119.8°120.4°
C3C2H2120.1°119.8°
C3C4C12112.7°112.2°
C3C4C5121.4°119.1°
C2C1O13118.1°120.0°
C2C1C6122.1°120.0°
C1C2H2120.1°119.8°
C4C12C15122.9°123.2°
C12C4C5125.8°128.7°
C12C15C16121.2°120.0°
C4C5C6120.4°120.5°
C4C5H5119.8°119.8°
C15C16C22117.9°120.1°
C15C16C18122.2°120.1°
O13C1C6119.7°120.0°
C1O13HO13109.5°114.0°
C1C6C5117.3°120.2°
C1C6H6121.4°119.9°
C6C5H5119.8°119.8°
C5C6H6121.3°119.8°
C22C16C18119.9°119.8°
C16C22C21118.9°119.9°
C16C22H22120.6°120.0°
C16C18C19120.4°119.9°
C16C18H18119.8°120.1°
C22C21C20119.3°120.1°
C22C21H21120.4°119.9°
C21C22H22120.6°120.1°
C18C19C20119.4°120.1°
C18C19H19120.3°120.0°
C19C18H18119.8°120.0°
C21C20C19122.1°120.2°
C21C20O27125.6°119.9°
C20C21H21120.3°120.0°
C19C20O27112.3°119.9°
C20C19H19120.3°119.9°
C20O27C28118.3°117.0°
O27C28C29105.6°109.5°
O27C28H281110.8°109.4°
O27C28H282111.6°109.5°
C28C29N61122.4°109.5°
C29C28H281110.8°109.4°
C29C28H282111.6°109.5°
C28C29H291105.4°109.5°
C28C29H292102.3°109.4°
C29N61C66110.0°111.0°
C29N61C62112.8°111.0°
N61C29H291105.4°109.5°
N61C29H292102.3°109.5°
C66N61C62111.4°111.2°
N61C66C65115.1°109.6°
N61C66H661107.7°109.5°
N61C66H662106.3°109.4°
N61C62C63116.1°109.6°
N61C62H621107.4°109.5°
N61C62H622105.8°109.5°
C66C65C64113.9°109.3°
C65C66H661107.6°109.5°
C65C66H662106.4°109.5°
C66C65H651108.0°109.4°
C66C65H652107.0°109.5°
C62C63C64110.4°109.3°
C62C63H631109.2°109.5°
C62C63H632109.0°109.6°
C63C62H621107.3°109.4°
C63C62H622105.8°109.5°
C65C64C63113.8°109.2°
C65C64C7109.0°109.6°
C64C65H651108.0°109.5°
C64C65H652107.0°109.5°
C65C64H64106.3°109.5°
C63C64C7107.8°109.5°
C63C64H64107.6°109.5°
C64C63H631109.2°109.4°
C64C63H632109.0°109.5°
C64C7H71109.5°109.4°
C64C7H72109.5°109.5°
C64C7H73109.5°109.4°
C7C64H64112.5°109.5°
H71C7H72109.4°109.4°
H71C7H73109.4°109.5°
H72C7H73109.5°109.5°
H281C28H282106.6°109.5°
H291C29H292120.3°109.5°
H661C66H662114.0°109.4°
H651C65H652113.0°109.6°
H631C63H632110.1°109.5°
H621C62H622114.8°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C50C51C52H51180.0°179.4°
C51C50C14H50180.0°179.4°
C50C51C52O59179.8°179.8°
C50C51C52C530.7°0.3°
C51C50C14C11179.1°179.8°
C51C50C14C540.0°0.5°
C52C51C50C140.3°0.5°
C51C52O59C53179.4°180.0°
C51C52C53C540.8°0.0°
C51C52C53H53179.2°179.9°
C51C52O59HO5911.1°85.1°
C52C51C50H50179.6°180.0°
C50C14C11C54179.1°179.7°
C50C14C11S1054.8°131.5°
C50C14C11C12123.5°48.6°
C50C14C54C530.1°0.2°
C50C14C54H54180.0°179.7°
C14C50C51H51179.6°180.0°
O59C52C53C54179.8°180.0°
O59C52C53H530.2°0.0°
O59C52C51H510.2°0.3°
C52C53C54C140.5°0.0°
C52C53C54H53180.0°179.9°
C52C53C54H54179.6°180.0°
C53C52O59HO59169.5°94.9°
C53C52C51H51179.3°179.7°
C14C11S10C12178.6°179.9°
C14C11S10C3178.9°179.7°
C11C14C54C53179.1°179.9°
C14C11C12C4179.2°180.0°
C14C11C12C152.1°0.1°
C11C14C54H540.9°0.0°
C11C14C50H500.9°0.3°
C54C14C11S10126.1°48.2°
C54C14C11C1255.6°131.7°
C14C54C53H54180.0°180.0°
C14C54C53H53179.5°180.0°
C54C14C50H50179.9°180.0°
C11S10C3C2178.7°180.0°
C11S10C3C40.1°0.4°
S10C11C12C40.6°0.1°
S10C11C12C15179.4°180.0°
C3S10C11C120.4°0.2°
S10C3C2C4178.5°179.5°
S10C3C2C1178.9°179.3°
S10C3C4C120.4°0.5°
S10C3C4C5179.2°179.8°
S10C3C2H21.1°0.0°
O17C15C12C1170.9°95.6°
O17C15C12C4110.5°84.3°
O17C15C12C16179.9°180.0°
O17C15C16C229.5°5.4°
O17C15C16C18172.1°174.6°
C11C12C4C30.7°0.4°
C11C12C4C15178.8°179.9°
C11C12C4C5178.9°180.0°
C11C12C15C16109.2°84.4°
C3C2C1H2180.0°179.2°
C2C3C4C12179.2°179.9°
C2C3C4C50.4°0.2°
C3C2C1O13178.2°180.0°
C3C2C1C60.4°0.6°
C4C3C2C10.4°0.3°
C3C4C12C5179.6°179.7°
C3C4C12C15179.5°179.7°
C3C4C5C60.2°0.3°
C3C4C5H5179.8°179.6°
C4C3C2H2179.6°179.5°
C2C1O13C6178.6°179.4°
C2C1C6C50.3°0.5°
C2C1C6H6179.7°179.5°
C2C1O13HO13111.0°90.0°
C4C12C15C1669.4°95.7°
C12C4C5C6179.3°179.9°
C12C4C5H50.7°0.0°
C15C12C4C50.1°0.0°
C12C15C16C22170.4°174.6°
C12C15C16C188.0°5.4°
C4C5C6C10.2°0.0°
C4C5C6H5180.0°179.9°
C4C5C6H6179.8°180.0°
C15C16C22C18178.5°179.9°
C15C16C22C21179.5°179.9°
C15C16C18C19179.5°179.8°
C15C16C22H220.5°0.0°
C15C16C18H180.5°0.1°
O13C1C6C5178.3°179.8°
O13C1C6H61.7°0.1°
O13C1C2H21.8°0.8°
C1C6C5H6180.0°180.0°
C1C6C5H5179.8°180.0°
C6C1C2H2179.6°179.8°
C6C1O13HO1370.4°89.3°
C16C22C21H22180.0°180.0°
C22C16C18C191.0°0.3°
C16C22C21C200.1°0.0°
C16C22C21H21179.9°180.0°
C22C16C18H18179.0°180.0°
C18C16C22C211.0°0.0°
C16C18C19H18180.0°179.7°
C16C18C19C200.2°0.5°
C18C16C22H22179.0°179.9°
C16C18C19H19179.8°179.7°
C22C21C20H21180.0°180.0°
C22C21C20C190.8°0.2°
C22C21C20O27179.4°180.0°
C18C19C20C210.7°0.5°
C18C19C20H19180.0°179.8°
C18C19C20O27179.4°179.7°
C21C20C19O27179.9°179.8°
C21C20O27C284.2°175.0°
C20C21C22H22179.9°180.0°
C21C20C19H19179.3°179.7°
C19C20O27C28175.6°4.8°
C19C20C21H21179.2°179.8°
C20C19C18H18179.8°179.8°
C20O27C28C29172.9°176.0°
O27C20C21H210.6°0.1°
C20O27C28H28152.9°56.1°
C20O27C28H28265.7°63.9°
O27C20C19H190.6°0.1°
O27C28C29H281120.0°119.9°
O27C28C29H282121.5°120.1°
O27C28C29N6170.2°64.9°
O27C28H281H282121.6°120.0°
O27C28C29H29149.8°175.0°
O27C28C29H292176.4°55.1°
C28C29N61H291120.0°120.0°
C28C29N61H292113.4°119.9°
C28C29N61C6687.7°75.8°
C28C29N61C62147.4°160.0°
C29C28H281H282121.5°120.1°
C28C29H291H292114.7°119.9°
C29N61C66C62125.7°124.1°
C29N61C66C65173.3°174.2°
C29N61C62C63178.0°174.2°
N61C29C28H281169.8°55.0°
N61C29C28H28251.3°175.0°
N61C29H291H292114.6°120.0°
C29N61C66H66166.7°54.1°
C29N61C66H66255.8°65.8°
C29N61C62H62158.0°65.8°
C29N61C62H62265.0°54.1°
N61C66C65H661120.0°120.0°
N61C66C65H662117.5°120.0°
C66N61C62C6353.8°61.7°
N61C66C65C6443.7°59.1°
C66N61C29H29132.3°44.2°
C66N61C29H292158.9°164.2°
N61C66H661H662117.7°119.9°
N61C66C65H65176.2°60.7°
N61C66C65H652161.8°179.1°
C66N61C62H62166.2°58.3°
C66N61C62H622170.8°178.2°
C62N61C66C6547.5°61.7°
N61C62C63H621120.0°120.0°
N61C62C63H622117.0°120.1°
N61C62C63C6454.1°59.1°
C62N61C29H29192.6°80.0°
C62N61C29H29233.9°40.0°
C62N61C66H661167.5°178.2°
C62N61C66H66270.0°58.3°
N61C62C63H631174.1°60.8°
N61C62C63H63265.5°179.1°
N61C62H621H622117.3°120.0°
C66C65C64H651120.0°119.9°
C66C65C64H652118.0°119.9°
C66C65C64C6344.0°57.6°
C66C65C64C7164.3°177.5°
C65C66H661H662117.7°120.0°
C66C65H651H652118.2°120.1°
C66C65C64H6474.2°62.3°
C62C63C64C6547.6°57.6°
C62C63C64H631120.0°119.9°
C62C63C64H632119.7°120.1°
C62C63C64C7168.6°177.6°
C62C63C64H6469.9°62.3°
C62C63H631H632119.7°120.2°
C63C62H621H622117.3°119.9°
C65C64C63C7121.0°120.0°
C65C64C63H64117.5°119.9°
C65C64C7H64117.7°120.1°
C65C64C7H71154.8°60.0°
C65C64C7H7285.2°179.9°
C65C64C7H7334.8°60.0°
C64C65C66H661163.8°179.2°
C64C65C66H66273.7°60.9°
C64C65H651H652118.2°120.1°
C65C64C63H631167.6°62.3°
C65C64C63H63272.1°177.7°
C63C64C7H64118.4°120.1°
C63C64C7H7181.3°179.7°
C63C64C7H7238.7°60.3°
C63C64C7H73158.7°59.7°
C63C64C65H65176.0°62.3°
C63C64C65H652162.0°177.5°
C64C63H631H632119.6°120.0°
C64C63C62H62165.9°60.9°
C64C63C62H622171.1°179.2°
C64C7H71H72120.0°120.0°
C64C7H71H73120.0°119.9°
C64C7H72H73120.0°120.0°
C7C64C65H65144.3°57.7°
C7C64C65H65277.6°62.5°
C7C64C63H63171.4°57.7°
C7C64C63H63248.9°62.4°
H5C5C6H60.2°0.0°
H71C7H72H73120.0°120.1°
H71C7C64H6437.1°60.1°
H72C7C64H64157.1°59.8°
H73C7C64H6482.9°179.9°
H21C21C22H220.1°0.0°
H281C28C29H29170.2°65.0°
H281C28C29H29256.4°175.0°
H282C28C29H291171.3°55.0°
H282C28C29H29262.1°65.0°
H54C54C53H530.5°0.0°
H51C51C50H500.4°0.6°
H19C19C18H180.2°0.1°
H661C66C65H65143.8°59.3°
H661C66C65H65278.2°60.9°
H662C66C65H651166.3°179.2°
H662C66C65H65244.3°59.1°
H651C65C64H64165.8°177.8°
H652C65C64H6443.8°57.6°
H64C64C63H63150.1°177.8°
H64C64C63H632170.4°57.8°
H631C63C62H62154.1°179.2°
H631C63C62H62268.9°59.3°
H632C63C62H621174.5°59.1°
H632C63C62H62251.5°60.8°

248335

PDB entries from 2026-01-28

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