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842

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.51Å1.50Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
O25C2doub1.21Å1.23Å
C2N3sing1.35Å1.35Å
C4N3sing1.46Å1.46Å
N3HN3sing0.97Å1.00Å
C5C4sing1.53Å1.55Å
C4C26sing1.53Å1.53Å
C4H4sing1.09Å1.10Å
O35C5sing1.43Å1.43Å
C6C5sing1.53Å1.52Å
C5H5sing1.09Å1.10Å
N7C6sing1.47Å1.47Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C8N7sing1.47Å1.49Å
N7HN7sing1.01Å1.00Å
C14C8sing1.51Å1.54Å
C9C8sing1.53Å1.51Å
C8C13sing1.53Å1.55Å
C10C9sing1.53Å1.52Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C10C11sing1.53Å1.52Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C11C12sing1.53Å1.51Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C12C13sing1.53Å1.52Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C15C14doub1.38Å1.42ÅAromatic
C19C14sing1.38Å1.40ÅAromatic
C16C15sing1.39Å1.41ÅAromatic
C15H15sing1.08Å1.08Å
N20C16sing1.40Å1.33ÅAromatic
C17C16doub1.39Å1.39ÅAromatic
C17C18sing1.38Å1.40ÅAromatic
C17H17sing1.08Å1.08Å
C18C19doub1.38Å1.40ÅAromatic
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
N21N20sing1.40Å1.39ÅAromatic
C24N20sing1.35Å1.33ÅAromatic
C22N21doub1.31Å1.35ÅAromatic
C22C23sing1.40Å1.39ÅAromatic
C22H22sing1.08Å1.08Å
C23C24doub1.35Å1.38ÅAromatic
C23H23sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C26C27sing1.51Å1.53Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C32C27doub1.38Å1.41ÅAromatic
C27C28sing1.38Å1.40ÅAromatic
C28C29doub1.38Å1.40ÅAromatic
C28H28sing1.08Å1.08Å
C30C29sing1.38Å1.39ÅAromatic
C29F33sing1.35Å1.33Å
C31C30doub1.38Å1.37ÅAromatic
C30H30sing1.08Å1.08Å
F34C31sing1.35Å1.31Å
C32C31sing1.39Å1.39ÅAromatic
C32H32sing1.08Å1.08Å
O35HO35sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1H1109.5°109.4°
C2C1H1A109.5°109.5°
C2C1H1B109.5°109.5°
C1C2O25119.8°120.0°
C1C2N3116.4°120.0°
H1C1H1A109.4°109.4°
H1C1H1B109.5°109.5°
H1AC1H1B109.5°109.4°
O25C2N3123.8°120.0°
C2N3C4125.0°120.0°
C2N3HN3117.5°120.0°
C4N3HN3117.5°120.0°
N3C4C5112.7°109.5°
N3C4C26107.1°109.5°
N3C4H4111.1°109.5°
C5C4C26115.2°109.4°
C5C4H4102.2°109.5°
C4C5O35112.6°109.5°
C4C5C6111.6°109.5°
C4C5H5104.8°109.5°
C26C4H4108.4°109.5°
C4C26C27107.0°109.5°
C4C26H26110.3°109.5°
C4C26H26A110.3°109.5°
O35C5C6106.3°109.5°
O35C5H5110.2°109.5°
C5O35HO35109.5°114.0°
C6C5H5111.3°109.5°
C5C6N7113.2°109.5°
C5C6H6108.2°109.5°
C5C6H6A108.3°109.5°
N7C6H6108.2°109.5°
N7C6H6A108.2°109.4°
C6N7C8121.1°111.0°
C6N7HN7105.8°110.9°
H6C6H6A110.7°109.5°
C8N7HN7105.8°111.0°
N7C8C14104.2°109.5°
N7C8C9108.9°109.5°
N7C8C13109.4°109.5°
C14C8C9109.4°109.5°
C14C8C13115.8°109.4°
C8C14C15120.0°120.0°
C8C14C19122.5°120.0°
C9C8C13109.0°109.5°
C8C9C10111.0°109.5°
C8C9H9109.0°109.5°
C8C9H9A109.0°109.5°
C8C13C12113.9°109.4°
C8C13H13108.0°109.5°
C8C13H13A108.0°109.5°
C10C9H9109.0°109.5°
C10C9H9A109.0°109.5°
C9C10C11109.4°109.5°
C9C10H10109.5°109.5°
C9C10H10A109.5°109.5°
H9C9H9A110.0°109.5°
C11C10H10109.5°109.4°
C11C10H10A109.5°109.5°
C10C11C12110.5°109.5°
C10C11H11109.2°109.4°
C10C11H11A109.2°109.5°
H10C10H10A109.4°109.5°
C12C11H11109.1°109.5°
C12C11H11A109.1°109.5°
C11C12C13110.6°109.5°
C11C12H12109.1°109.5°
C11C12H12A109.1°109.4°
H11C11H11A109.8°109.4°
C13C12H12109.1°109.5°
C13C12H12A109.1°109.5°
C12C13H13108.0°109.5°
C12C13H13A108.0°109.5°
H12C12H12A109.9°109.5°
H13C13H13A110.9°109.5°
C15C14C19117.2°120.0°
C14C15C16125.0°119.9°
C14C15H15117.5°120.0°
C14C19C18118.9°120.1°
C14C19H19120.6°119.9°
C16C15H15117.5°120.1°
C15C16N20120.4°120.0°
C15C16C17115.5°119.9°
N20C16C17124.0°120.1°
C16N20N21123.8°126.1°
C16N20C24121.9°126.1°
C16C17C18121.3°119.9°
C16C17H17119.3°120.0°
C18C17H17119.4°120.0°
C17C18C19122.0°120.1°
C17C18H18119.0°120.0°
C19C18H18119.0°119.9°
C18C19H19120.5°120.0°
N21N20C24113.9°107.9°
N20N21C22103.9°108.2°
N20C24C23103.9°107.7°
N20C24H24128.0°126.1°
N21C22C23109.1°108.2°
N21C22H22125.5°125.8°
C23C22H22125.5°125.9°
C22C23C24109.2°108.0°
C22C23H23125.4°126.0°
C24C23H23125.4°126.1°
C23C24H24128.1°126.2°
C27C26H26110.3°109.5°
C27C26H26A110.3°109.4°
C26C27C32120.8°120.0°
C26C27C28120.6°119.9°
H26C26H26A108.6°109.5°
C32C27C28118.5°120.1°
C27C32C31120.1°120.0°
C27C32H32119.9°120.0°
C27C28C29119.5°120.0°
C27C28H28120.2°120.0°
C29C28H28120.2°120.0°
C28C29C30122.2°120.0°
C28C29F33120.6°120.0°
C30C29F33117.3°120.0°
C29C30C31117.6°120.0°
C29C30H30121.2°120.1°
C31C30H30121.2°120.0°
C30C31F34116.8°120.0°
C30C31C32122.1°120.0°
F34C31C32121.2°120.0°
C31C32H32120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1H1H1A120.0°120.0°
C2C1H1H1B120.0°120.1°
C2C1H1AH1B120.0°120.0°
C1C2O25N3178.8°180.0°
C1C2N3C4177.5°175.0°
C1C2N3HN32.5°4.9°
H1C1H1AH1B120.0°120.0°
H1C1C2O250.0°175.0°
H1C1C2N3178.9°4.9°
H1AC1C2O25120.0°65.0°
H1AC1C2N358.9°115.0°
H1BC1C2O25120.0°55.0°
H1BC1C2N361.1°125.0°
O25C2N3C43.6°5.0°
O25C2N3HN3176.4°175.0°
C2N3C4HN3180.0°180.0°
C2N3C4C5109.1°55.8°
C2N3C4C26123.2°64.1°
C2N3C4H45.0°175.9°
N3C4C5C26123.3°120.0°
N3C4C5H4119.4°120.0°
N3C4C26H4120.0°120.0°
N3C4C5O35178.0°175.5°
N3C4C5C662.5°55.5°
N3C4C5H558.1°64.4°
N3C4C26C2747.9°65.0°
N3C4C26H2672.1°55.0°
N3C4C26H26A167.9°175.1°
HN3N3C4C571.0°124.1°
HN3N3C4C2656.8°115.9°
HN3N3C4H4175.0°4.1°
C5C4C26H4113.8°120.0°
C4C5O35C6122.6°120.0°
C4C5O35H5116.7°120.0°
C4C5C6H5116.7°120.0°
C4C5C6N7177.3°179.1°
C4C5C6H662.7°59.1°
C4C5C6H6A57.3°61.0°
C5C4C26C27174.1°175.0°
C5C4C26H2654.1°65.0°
C5C4C26H26A65.9°55.1°
C4C5O35HO35180.0°60.0°
C26C4C5O3554.7°64.5°
C26C4C5C6174.2°175.5°
C26C4C5H565.2°55.5°
C4C26C27H26120.0°120.0°
C4C26C27H26A120.0°120.0°
C4C26H26H26A121.0°120.1°
C4C26C27C3268.2°90.2°
C4C26C27C28109.5°90.0°
H4C4C5O3562.6°55.5°
H4C4C5C656.9°64.5°
H4C4C5H5177.5°175.5°
H4C4C26C2772.1°55.0°
H4C4C26H26167.9°175.0°
H4C4C26H26A47.9°64.9°
O35C5C6H5120.1°120.0°
O35C5C6N754.1°60.9°
O35C5C6H6174.1°179.1°
O35C5C6H6A65.9°59.1°
C5C6N7H6120.0°120.0°
C5C6N7H6A120.0°120.0°
C5C6H6H6A118.5°120.0°
C5C6N7C8164.1°175.2°
C5C6N7HN744.1°51.2°
C6C5O35HO3557.5°60.0°
H5C5C6N765.9°59.1°
H5C5C6H654.1°60.9°
H5C5C6H6A174.0°179.1°
H5C5O35HO3563.3°180.0°
N7C6H6H6A118.4°120.0°
C6N7C8HN7120.0°123.9°
C6N7C8C1458.9°62.5°
C6N7C8C9175.5°177.5°
C6N7C8C1365.5°57.5°
H6C6N7C875.9°64.8°
H6C6N7HN7164.1°171.3°
H6AC6N7C844.1°55.1°
H6AC6N7HN775.9°68.8°
N7C8C14C9116.3°120.0°
N7C8C14C13120.2°120.0°
N7C8C9C13119.3°120.0°
N7C8C9C10175.5°60.0°
N7C8C9H964.5°180.0°
N7C8C9H9A55.5°60.0°
N7C8C13C12171.1°60.0°
N7C8C13H1351.1°60.0°
N7C8C13H13A68.9°180.0°
N7C8C14C1569.1°25.8°
N7C8C14C19105.0°154.5°
HN7N7C8C1461.2°61.4°
HN7N7C8C955.5°58.6°
HN7N7C8C13174.4°178.7°
C14C8C9C13127.5°120.0°
C14C8C9C1071.2°180.0°
C14C8C9H948.8°60.0°
C14C8C9H9A168.8°60.0°
C14C8C13C1271.6°180.0°
C14C8C13H13168.4°60.0°
C14C8C13H13A48.4°60.0°
C8C14C15C19174.4°179.7°
C8C14C15C16177.4°180.0°
C8C14C15H152.7°0.0°
C8C14C19C18175.6°179.7°
C8C14C19H194.4°0.3°
C8C9C10H9120.0°120.0°
C8C9C10H9A120.0°120.0°
C8C9H9H9A119.4°120.0°
C8C9C10C1161.9°60.0°
C8C9C10H1058.1°180.0°
C8C9C10H10A178.1°60.0°
C9C8C13C1252.1°60.0°
C9C8C13H1367.9°180.0°
C9C8C13H13A172.1°60.0°
C9C8C14C1547.2°94.2°
C9C8C14C19138.7°85.5°
C13C8C9C1056.3°60.0°
C13C8C9H9176.3°60.0°
C13C8C9H9A63.7°180.0°
C8C13C12C1152.4°60.0°
C8C13C12H13120.0°120.0°
C8C13C12H13A120.0°120.0°
C8C13C12H1267.6°180.0°
C8C13C12H12A172.4°60.0°
C8C13H13H13A118.2°120.0°
C13C8C14C15170.7°145.8°
C13C8C14C1915.2°34.5°
C10C9H9H9A119.4°120.0°
C9C10C11H10120.0°120.0°
C9C10C11H10A120.0°120.0°
C9C10H10H10A120.0°120.0°
C9C10C11C1261.0°60.0°
C9C10C11H11179.0°60.0°
C9C10C11H11A59.0°179.9°
H9C9C10C11178.1°60.0°
H9C9C10H1061.9°60.0°
H9C9C10H10A58.1°180.0°
H9AC9C10C1158.1°180.0°
H9AC9C10H10178.1°60.0°
H9AC9C10H10A61.9°60.0°
C11C10H10H10A120.1°120.0°
C10C11C12H11120.0°120.0°
C10C11C12H11A120.0°120.1°
C10C11H11H11A119.6°120.0°
C10C11C12C1355.9°60.0°
C10C11C12H1264.1°180.0°
C10C11C12H12A175.9°60.0°
H10C10C11C1259.0°180.0°
H10C10C11H1161.0°60.0°
H10C10C11H11A179.0°59.9°
H10AC10C11C12179.0°60.0°
H10AC10C11H1159.1°180.0°
H10AC10C11H11A61.0°60.0°
C12C11H11H11A119.6°120.0°
C11C12C13H12120.0°120.0°
C11C12C13H12A120.0°119.9°
C11C12H12H12A119.6°120.0°
C11C12C13H1367.6°180.0°
C11C12C13H13A172.4°60.0°
H11C11C12C13175.9°60.0°
H11C11C12H1255.9°60.0°
H11C11C12H12A64.1°180.0°
H11AC11C12C1364.1°180.0°
H11AC11C12H12175.9°59.9°
H11AC11C12H12A55.9°60.1°
C13C12H12H12A119.5°120.0°
C12C13H13H13A118.2°120.0°
H12C12C13H13172.4°60.0°
H12C12C13H13A52.4°60.0°
H12AC12C13H1352.4°60.0°
H12AC12C13H13A67.6°180.0°
C14C15C16H15180.0°180.0°
C14C15C16N20179.0°180.0°
C14C15C16C173.0°0.0°
C15C14C19C181.4°0.6°
C15C14C19H19178.6°180.0°
C19C14C15C163.0°0.3°
C19C14C15H15177.0°179.7°
C14C19C18C170.0°0.6°
C14C19C18H19180.0°179.4°
C14C19C18H18180.0°179.7°
C15C16N20C17175.7°179.9°
C15C16C17C181.4°0.0°
C15C16C17H17178.6°180.0°
C15C16N20N2151.7°6.1°
C15C16N20C24121.2°174.3°
H15C15C16N201.0°0.0°
H15C15C16C17177.0°180.0°
N20C16C17C18177.3°179.9°
N20C16C17H172.7°0.0°
C16N20N21C24173.5°179.7°
C16N20N21C22175.9°179.9°
C16N20C24C23175.6°179.9°
C16N20C24H244.4°0.4°
C16C17C18H17180.0°180.0°
C16C17C18C190.1°0.3°
C16C17C18H18180.0°180.0°
C17C16N20N21132.6°173.9°
C17C16N20C2454.5°5.7°
C17C18C19H18180.0°179.7°
C17C18C19H19180.0°180.0°
H17C17C18C19179.9°179.7°
H17C17C18H180.0°0.0°
H18C18C19H190.0°0.3°
N20N21C22C231.8°0.0°
N20N21C22H22178.3°180.0°
N21N20C24C232.0°0.4°
N21N20C24H24178.0°180.0°
C24N20N21C222.4°0.3°
N20C24C23C220.8°0.4°
N20C24C23H24180.0°179.6°
N20C24C23H23179.2°179.8°
N21C22C23H22180.0°180.0°
N21C22C23C240.6°0.3°
N21C22C23H23179.3°180.0°
C22C23C24H23180.0°179.8°
C22C23C24H24179.2°180.0°
H22C22C23C24179.4°179.8°
H22C22C23H230.7°0.0°
H23C23C24H240.8°0.3°
C27C26H26H26A121.0°119.9°
C26C27C32C28177.7°179.8°
C26C27C28C29178.8°180.0°
C26C27C28H281.2°0.0°
C26C27C32C31178.6°179.7°
C26C27C32H321.4°0.0°
H26C26C27C32171.8°149.7°
H26C26C27C2810.5°30.0°
H26AC26C27C3251.8°29.7°
H26AC26C27C28130.5°150.1°
C32C27C28C291.1°0.3°
C32C27C28H28178.9°179.8°
C27C32C31C300.5°0.5°
C27C32C31F34180.0°179.7°
C27C32C31H32180.0°179.7°
C27C28C29H28180.0°179.9°
C27C28C29C301.0°0.0°
C27C28C29F33179.6°180.0°
C28C27C32C310.8°0.5°
C28C27C32H32179.2°179.7°
C28C29C30F33179.5°180.0°
C28C29C30C310.6°0.0°
C28C29C30H30179.4°180.0°
H28C28C29C30179.0°179.9°
H28C28C29F330.4°0.0°
C29C30C31H30180.0°180.0°
C29C30C31F34179.9°180.0°
C29C30C31C320.3°0.3°
F33C29C30C31179.9°180.0°
F33C29C30H300.1°0.0°
C30C31F34C32179.5°179.7°
C30C31C32H32179.5°179.7°
H30C30C31F340.1°0.0°
H30C30C31C32179.7°179.8°
F34C31C32H320.0°0.0°

224201

PDB entries from 2024-08-28

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