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3U1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N13N14sing1.40Å1.35ÅAromatic
N13C12sing1.37Å1.38ÅAromatic
N14C15doub1.31Å1.35ÅAromatic
C12C11doub1.39Å1.42ÅAromatic
C12C31sing1.41Å1.38ÅAromatic
C11C10sing1.36Å1.40ÅAromatic
C17N18doub1.32Å1.35ÅAromatic
C17C16sing1.40Å1.40ÅAromatic
C15C31sing1.47Å1.44ÅAromatic
C15C16sing1.48Å1.40Å
N18C19sing1.32Å1.35ÅAromatic
C31C32doub1.39Å1.44ÅAromatic
C16N30doub1.33Å1.35ÅAromatic
C10C09doub1.40Å1.42ÅAromatic
C19C20doub1.39Å1.40ÅAromatic
C32C09sing1.39Å1.42ÅAromatic
N30C20sing1.32Å1.36ÅAromatic
C09C08sing1.48Å1.43Å
C20O21sing1.36Å1.43Å
F07C06sing1.35Å1.34Å
C08C06doub1.40Å1.41ÅAromatic
C08C02sing1.40Å1.40ÅAromatic
C06C05sing1.38Å1.40ÅAromatic
O21C22sing1.43Å1.45Å
F01C02sing1.35Å1.34Å
C02C03doub1.38Å1.40ÅAromatic
C22C23sing1.53Å1.54Å
C22C27sing1.53Å1.48Å
C05C04doub1.38Å1.40ÅAromatic
C23N24sing1.47Å1.48Å
C03C04sing1.38Å1.40ÅAromatic
C27C29sing1.53Å1.52Å
C27C28sing1.53Å1.52Å
C27C26sing1.53Å1.48Å
C29C28sing1.53Å1.52Å
N24C25sing1.47Å1.48Å
C26C25sing1.53Å1.53Å
C03H1sing1.08Å1.08Å
C04H2sing1.08Å1.08Å
C05H3sing1.08Å1.08Å
C10H4sing1.08Å1.08Å
C11H5sing1.08Å1.08Å
N13H6sing0.97Å1.00Å
C17H7sing1.08Å1.08Å
C19H8sing1.08Å1.08Å
C22H9sing1.09Å1.10Å
C23H10sing1.09Å1.10Å
C23H11sing1.09Å1.10Å
N24H12sing1.01Å1.00Å
C25H14sing1.09Å1.10Å
C25H15sing1.09Å1.10Å
C26H16sing1.09Å1.10Å
C26H17sing1.09Å1.10Å
C28H18sing1.09Å1.10Å
C28H19sing1.09Å1.10Å
C29H20sing1.09Å1.10Å
C29H21sing1.09Å1.10Å
C32H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N14N13C12108.6°109.3°
N13N14C15110.1°110.0°
N14N13H6125.7°125.3°
N13C12C11131.2°133.4°
N13C12C31108.4°106.9°
C12N13H6125.7°125.4°
N14C15C31107.1°107.6°
N14C15C16123.8°126.2°
C11C12C31120.4°119.7°
C12C11C10120.3°120.2°
C12C11H5119.9°119.9°
C12C31C15105.8°106.3°
C12C31C32119.5°119.9°
C11C10C09121.3°120.6°
C11C10H4119.3°119.7°
C10C11H5119.9°120.0°
N18C17C16121.3°120.0°
C17N18C19118.9°120.2°
N18C17H7119.4°120.1°
C17C16C15120.2°120.1°
C17C16N30119.2°119.8°
C16C17H7119.3°120.0°
C31C15C16129.1°126.2°
C15C31C32134.7°133.8°
C15C16N30120.6°120.1°
N18C19C20120.5°120.2°
N18C19H8119.8°119.9°
C31C32C09120.6°119.4°
C31C32H22119.7°120.4°
C16N30C20120.1°119.8°
C10C09C32117.9°120.2°
C10C09C08118.6°119.9°
C09C10H4119.4°119.7°
C19C20N30120.0°120.0°
C19C20O21118.1°120.0°
C20C19H8119.7°120.0°
C32C09C08123.5°120.0°
C09C32H22119.6°120.2°
N30C20O21121.8°120.0°
C09C08C06121.1°120.1°
C09C08C02121.4°120.1°
C20O21C22115.7°117.0°
F07C06C08120.9°120.1°
F07C06C05117.8°120.1°
C06C08C02117.5°119.7°
C08C06C05121.3°119.8°
C08C02F01120.7°120.0°
C08C02C03121.2°119.8°
C06C05C04120.0°120.1°
C06C05H3120.0°120.0°
O21C22C23112.0°109.6°
O21C22C27105.2°109.6°
O21C22H9109.6°109.6°
F01C02C03118.1°120.1°
C02C03C04120.4°120.2°
C02C03H1119.8°119.9°
C23C22C27112.5°108.6°
C22C23N24114.9°109.5°
C23C22H9108.4°109.6°
C22C23H10108.1°109.5°
C22C23H11108.1°109.5°
C22C27C29127.3°117.8°
C22C27C28122.3°117.8°
C22C27C26112.0°114.8°
C27C22H9109.2°109.7°
C05C04C03119.5°120.3°
C05C04H2120.3°119.9°
C04C05H3120.0°119.9°
C23N24C25114.0°111.6°
N24C23H10108.1°109.5°
N24C23H11108.1°109.5°
C23N24H12108.3°111.0°
C04C03H1119.8°119.9°
C03C04H2120.3°119.9°
C29C27C2860.0°60.1°
C29C27C26111.7°117.8°
C27C29C2860.0°59.9°
C27C29H20120.0°117.5°
C27C29H21120.0°117.5°
C28C27C26114.3°117.9°
C27C28C2960.0°60.0°
C27C28H18120.0°117.5°
C27C28H19120.0°117.5°
C27C26C25110.4°108.6°
C27C26H16109.3°109.6°
C27C26H17109.3°109.7°
C29C28H18120.0°117.5°
C29C28H19120.0°117.5°
C28C29H20120.0°117.6°
C28C29H21120.0°117.5°
N24C25C26111.2°109.4°
C25N24H12108.3°111.0°
N24C25H14109.0°109.5°
N24C25H15109.0°109.5°
C26C25H14109.1°109.5°
C26C25H15109.0°109.5°
C25C26H16109.2°109.6°
C25C26H17109.3°109.6°
H10C23H11109.5°109.5°
H14C25H15109.5°109.5°
H16C26H17109.4°109.6°
H18C28H19109.5°115.5°
H20C29H21109.5°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N14N13C12H6180.0°180.0°
N14N13C12C11179.4°180.0°
N14N13C12C310.6°0.0°
N13N14C15C310.5°0.0°
N13N14C15C16178.3°180.0°
C12N13N14C150.0°0.0°
N13C12C11C31178.7°179.9°
N13C12C11C10178.8°180.0°
N13C12C31C150.9°0.0°
N13C12C31C32179.4°179.8°
N13C12C11H51.2°0.0°
N14C15C31C120.9°0.0°
N14C15C16C176.5°24.8°
N14C15C31C16177.6°180.0°
N14C15C31C32179.5°179.7°
N14C15C16N30170.6°155.0°
C15N14N13H6180.0°180.0°
C12C11C10H5180.0°180.0°
C11C12C31C15179.9°180.0°
C11C12C31C320.4°0.3°
C12C11C10C090.4°0.0°
C12C11C10H4179.7°180.0°
C11C12N13H60.6°0.0°
C31C12C11C100.1°0.0°
C12C31C15C32179.7°179.7°
C12C31C15C16178.5°180.0°
C12C31C32C090.2°0.5°
C31C12C11H5179.9°180.0°
C31C12N13H6179.4°179.9°
C12C31C32H22179.7°180.0°
C11C10C09H4180.0°180.0°
C11C10C09C320.5°0.2°
C11C10C09C08180.0°180.0°
N18C17C16H7180.0°180.0°
N18C17C16C15178.7°180.0°
N18C17C16N301.6°0.2°
C17N18C19C200.0°0.1°
C17N18C19H8179.9°180.0°
C17C16C15C31176.2°155.2°
C17C16C15N30177.1°179.8°
C16C17N18C190.9°0.1°
C17C16N30C201.3°0.4°
C31C15C16N306.7°25.0°
C15C31C32C09179.9°179.8°
C15C31C32H220.1°0.3°
C16C15C31C321.8°0.3°
C15C16N30C20178.5°179.8°
C15C16C17H71.3°0.0°
N18C19C20H8180.0°179.9°
N18C19C20N300.2°0.2°
N18C19C20O21179.4°180.0°
C19N18C17H7179.1°179.9°
C31C32C09C100.2°0.5°
C31C32C09H22180.0°179.5°
C31C32C09C08179.7°179.8°
C16N30C20C190.5°0.4°
C16N30C20O21180.0°179.8°
N30C16C17H7178.4°179.8°
C10C09C32C08179.5°179.8°
C10C09C08C0639.5°65.0°
C10C09C08C02139.5°115.6°
C09C10C11H5179.6°180.0°
C10C09C32H22179.8°180.0°
C19C20N30O21179.5°179.8°
C19C20O21C22179.7°180.0°
C32C09C08C06141.1°115.2°
C32C09C08C0240.0°64.2°
C32C09C10H4179.5°179.8°
N30C20O21C220.2°0.3°
N30C20C19H8179.8°179.8°
C09C08C06F070.9°0.3°
C09C08C06C02179.0°179.4°
C09C08C06C05179.5°180.0°
C09C08C02F011.1°0.3°
C09C08C02C03179.6°180.0°
C08C09C10H40.0°0.0°
C08C09C32H220.4°0.3°
C20O21C22C23101.7°90.0°
C20O21C22C27135.8°150.9°
O21C20C19H80.6°0.0°
C20O21C22H918.6°30.4°
F07C06C08C05179.6°179.7°
F07C06C08C02179.9°179.7°
F07C06C05C04179.9°179.9°
F07C06C05H30.1°0.0°
C06C08C02F01180.0°179.7°
C06C08C02C030.6°0.6°
C08C06C05C040.3°0.3°
C08C06C05H3179.7°179.7°
C02C08C06C050.5°0.6°
C08C02F01C03179.4°179.7°
C08C02C03C040.5°0.3°
C08C02C03H1179.5°179.7°
C06C05C04H3180.0°180.0°
C06C05C04C030.1°0.1°
C06C05C04H2179.9°180.0°
O21C22C23C27118.3°119.7°
O21C22C23H9121.0°120.4°
O21C22C27H9117.5°120.4°
O21C22C23N2474.5°175.3°
O21C22C27C2973.4°25.7°
O21C22C27C28148.3°43.3°
O21C22C27C2670.4°171.2°
O21C22C23H10164.7°64.7°
O21C22C23H1146.3°55.3°
F01C02C03C04179.8°180.0°
F01C02C03H10.2°0.0°
C02C03C04C050.2°0.1°
C02C03C04H1180.0°180.0°
C02C03C04H2179.8°180.0°
C23C22C27H9120.3°119.8°
C22C23N24H10120.8°120.0°
C22C23N24H11120.8°120.0°
C23C22C27C29164.4°94.0°
C23C22C27C2889.5°163.0°
C23C22C27C2651.8°51.4°
C22C23N24C2543.6°64.9°
C22C23H10H11117.5°120.0°
C22C23N24H12164.2°59.5°
C27C22C23N2443.8°55.6°
C22C27C29C28109.7°107.8°
C22C27C29C26143.9°144.4°
C22C27C28C26140.5°144.5°
C22C27C26C2559.2°51.4°
C27C22C23H1077.0°175.6°
C27C22C23H11164.6°64.4°
C22C27C26H1660.9°68.3°
C22C27C26H17179.4°171.2°
C22C27C28H188.0°0.3°
C22C27C28H19133.0°144.7°
C22C27C29H20140.9°144.7°
C22C27C29H210.2°0.4°
C05C04C03H2180.0°179.9°
C05C04C03H1179.8°180.0°
C23N24C25H12120.6°124.4°
C23N24C25C2650.2°64.8°
N24C23C22H9164.6°64.3°
N24C23H10H11117.5°120.0°
C23N24C25H1470.1°175.2°
C23N24C25H15170.4°55.1°
C03C04C05H3179.9°180.0°
C29C27C28C26102.0°107.7°
C27C29C28H20109.5°107.5°
C27C29C28H21109.4°107.5°
C29C27C26C25151.1°94.0°
C29C27C22H944.1°146.1°
C29C27C26H1688.8°146.2°
C29C27C26H1730.9°25.8°
C29C27C28H18109.5°107.5°
C29C27C28H19109.5°107.5°
C27C29H20H21144.7°145.7°
C28C27C26C2585.3°163.0°
C28C27C22H930.8°77.2°
C28C27C26H16154.5°77.2°
C28C27C26H1734.8°43.2°
C27C28H18H19144.7°145.7°
C27C26C25N2457.8°55.6°
C27C26C25H16120.2°119.7°
C27C26C25H17120.2°119.9°
C26C27C22H9172.1°68.4°
C27C26C25H1462.4°175.6°
C27C26C25H15178.1°64.4°
C27C26H16H17119.6°120.5°
C26C27C28H18148.5°144.8°
C26C27C28H197.5°0.2°
C26C27C29H203.1°0.3°
C26C27C29H21144.1°144.7°
C29C28H18H19144.7°145.7°
C28C29H20H21144.8°145.7°
N24C25C26H14120.3°120.0°
N24C25C26H15120.3°120.0°
C25N24C23H1077.2°175.2°
C25N24C23H11164.3°55.1°
N24C25H14H15119.2°120.0°
N24C25C26H1662.3°64.1°
N24C25C26H17178.0°175.5°
C26C25N24H12170.8°59.5°
C26C25H14H15119.2°120.0°
C25C26H16H17119.6°120.4°
H1C03C04H20.2°0.1°
H2C04C05H30.1°0.1°
H4C10C11H50.4°0.0°
H9C22C23H1043.8°55.7°
H9C22C23H1174.7°175.7°
H10C23N24H1243.4°60.5°
H11C23N24H1275.0°179.5°
H12N24C25H1450.5°60.5°
H12N24C25H1569.0°179.5°
H14C25C26H16177.4°55.9°
H14C25C26H1757.7°64.5°
H15C25C26H1658.0°175.9°
H15C25C26H1761.7°55.5°
H18C28C29H20141.1°145.0°
H18C28C29H210.0°0.0°
H19C28C29H200.0°0.0°
H19C28C29H21141.1°145.0°

224931

PDB entries from 2024-09-11

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