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73I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O02C16sing1.36Å1.36Å
C16C12doub1.39Å1.35ÅAromatic
C16C24sing1.39Å1.33ÅAromatic
C12C18sing1.38Å1.35ÅAromatic
C24C07doub1.38Å1.35ÅAromatic
C18C22doub1.39Å1.36ÅAromatic
F01C01sing1.40Å1.31Å
C07C22sing1.39Å1.36ÅAromatic
F03C01sing1.40Å1.31Å
C22N01sing1.40Å1.31Å
C01C19sing1.53Å1.51Å
C01F02sing1.40Å1.31Å
C19N01sing1.46Å1.52Å
N01S01sing1.66Å1.72Å
O04S01doub1.42Å1.49Å
S01O03doub1.42Å1.46Å
S01C11sing1.81Å1.87Å
C26O01sing1.47Å1.42Å
C26C11sing1.56Å1.53Å
C26C14sing1.53Å1.54Å
O01C13sing1.47Å1.41Å
C11C03sing1.55Å1.55Å
C25C20doub1.38Å1.35ÅAromatic
C25C21sing1.40Å1.36ÅAromatic
C20C09sing1.39Å1.35ÅAromatic
C14C21sing1.47Å1.39Å
C14C23doub1.36Å1.35Å
C13C03sing1.56Å1.53Å
C13C23sing1.53Å1.55Å
C21C10doub1.40Å1.37ÅAromatic
C23C15sing1.47Å1.36Å
C09O06sing1.36Å1.37Å
C09C17doub1.39Å1.37ÅAromatic
C15C06doub1.40Å1.37ÅAromatic
C15C05sing1.40Å1.37ÅAromatic
C06C08sing1.38Å1.35ÅAromatic
C10C17sing1.38Å1.36ÅAromatic
C05C02doub1.38Å1.34ÅAromatic
C08C04doub1.39Å1.34ÅAromatic
C02C04sing1.39Å1.33ÅAromatic
C04O05sing1.36Å1.35Å
C10H1sing1.08Å1.08Å
C13H2sing1.09Å1.10Å
C17H3sing1.08Å1.08Å
C20H4sing1.08Å1.08Å
C24H5sing1.08Å1.08Å
C26H6sing1.09Å1.10Å
C02H7sing1.08Å1.08Å
C03H8sing1.09Å1.10Å
C03H9sing1.09Å1.10Å
C05H10sing1.08Å1.08Å
C06H11sing1.08Å1.08Å
C07H12sing1.08Å1.08Å
O02H13sing0.97Å0.95Å
C08H14sing1.08Å1.08Å
C11H15sing1.09Å1.10Å
C12H16sing1.08Å1.08Å
C19H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
O05H19sing0.97Å0.95Å
O06H21sing0.97Å0.95Å
C25H22sing1.08Å1.08Å
C18H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O02C16C12124.2°120.0°
O02C16C24120.2°120.0°
C16O02H13109.5°114.0°
C12C16C24115.5°120.1°
C16C12C18121.7°120.0°
C16C12H16119.2°120.0°
C16C24C07122.4°120.0°
C16C24H5118.8°120.0°
C12C18C22124.0°120.0°
C18C12H16119.1°120.0°
C12C18H24118.0°120.0°
C24C07C22123.8°120.0°
C07C24H5118.8°120.0°
C24C07H12118.1°120.0°
C18C22C07112.5°120.0°
C18C22N01119.6°120.0°
C22C18H24118.0°120.0°
F01C01F03104.0°109.5°
F01C01C19116.4°109.5°
F01C01F02106.7°109.5°
C07C22N01127.9°120.0°
C22C07H12118.1°120.0°
F03C01C19112.3°109.5°
F03C01F02108.2°109.4°
C22N01C19118.0°120.0°
C22N01S01122.6°120.0°
C19C01F02108.8°109.5°
C01C19N01118.0°109.5°
C01C19H17107.3°109.5°
C01C19H18107.3°109.5°
C19N01S01119.3°120.0°
N01C19H17107.3°109.5°
N01C19H18107.3°109.4°
N01S01O04109.3°104.3°
N01S01O03122.7°104.2°
N01S01C11119.1°104.5°
O04S01O03120.0°121.1°
O04S01C1192.1°110.5°
O03S01C1187.5°110.6°
S01C11C26113.3°110.9°
S01C11C03120.0°111.0°
S01C11H15105.6°110.9°
O01C26C1194.2°101.1°
O01C26C14108.3°100.7°
C26O01C1395.4°97.0°
O01C26H6117.0°115.9°
C11C26C14105.1°105.1°
C26C11C0399.6°101.9°
C11C26H6115.0°115.6°
C26C11H15109.2°110.9°
C26C14C21128.5°127.0°
C26C14C2399.3°105.9°
C14C26H6114.8°116.2°
O01C13C03103.0°101.1°
O01C13C2397.0°100.7°
O01C13H2116.6°116.6°
C11C03C1398.9°102.0°
C11C03H8112.0°111.0°
C11C03H9112.0°110.9°
C03C11H15109.0°110.9°
C20C25C21122.5°119.9°
C25C20C09122.6°120.1°
C25C20H4118.7°119.9°
C20C25H22118.7°120.0°
C25C21C14123.7°120.1°
C25C21C10114.7°119.8°
C21C25H22118.8°120.1°
C20C09O06122.3°119.9°
C20C09C17116.3°120.2°
C09C20H4118.7°120.0°
C21C14C23131.2°127.1°
C14C21C10121.6°120.1°
C14C23C13102.6°106.0°
C14C23C15130.4°127.0°
C03C13C23110.4°105.1°
C03C13H2114.3°115.6°
C13C03H8112.1°110.9°
C13C03H9112.0°110.9°
C13C23C15126.6°127.0°
C23C13H2114.0°115.7°
C21C10C17123.2°119.9°
C21C10H1118.4°120.1°
C23C15C06122.8°120.1°
C23C15C05122.0°120.1°
O06C09C17121.4°119.9°
C09O06H21109.5°114.0°
C09C17C10120.8°120.1°
C09C17H3119.6°119.9°
C06C15C05115.2°119.8°
C15C06C08122.5°119.9°
C15C06H11118.7°120.0°
C15C05C02121.2°119.9°
C15C05H10119.4°120.1°
C06C08C04120.9°120.1°
C08C06H11118.7°120.1°
C06C08H14119.5°119.9°
C17C10H1118.4°120.0°
C10C17H3119.6°120.0°
C05C02C04122.9°120.1°
C05C02H7118.6°119.9°
C02C05H10119.4°120.1°
C08C04C02117.3°120.2°
C08C04O05123.1°119.9°
C04C08H14119.6°119.9°
C02C04O05119.5°119.9°
C04C02H7118.6°120.0°
C04O05H19109.5°114.0°
H8C03H9109.5°110.8°
H17C19H18109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O02C16C12C24179.9°179.8°
O02C16C12C18179.4°179.9°
O02C16C24C07179.6°179.9°
O02C16C24H50.3°0.1°
O02C16C12H160.6°0.1°
C16C12C18H16180.0°180.0°
C12C16C24C070.4°0.2°
C16C12C18C220.6°0.0°
C12C16C24H5179.6°179.8°
C12C16O02H13180.0°90.0°
C16C12C18H24179.4°180.0°
C24C16C12C180.6°0.3°
C16C24C07H5180.0°180.0°
C16C24C07C220.2°0.0°
C16C24C07H12179.8°179.9°
C24C16O02H130.0°89.8°
C24C16C12H16179.4°179.7°
C12C18C22H24180.0°180.0°
C12C18C22C070.3°0.3°
C12C18C22N01179.2°180.0°
C24C07C22C180.1°0.3°
C24C07C22H12180.0°180.0°
C24C07C22N01179.4°180.0°
C18C22C07N01179.5°179.7°
C18C22N01C1998.6°118.9°
C18C22N01S0176.5°61.1°
C18C22C07H12179.9°179.7°
C22C18C12H16179.4°180.0°
F01C01F03C19126.7°120.0°
F01C01F03F02113.2°120.0°
F01C01C19F02120.5°120.0°
F01C01C19N0160.6°174.7°
F01C01C19H17178.2°65.2°
F01C01C19H1860.6°54.7°
C07C22N01C1980.8°60.8°
C07C22N01S01104.0°119.2°
C22C07C24H5179.9°180.0°
C07C22C18H24179.7°179.7°
F03C01C19F02119.8°119.9°
F03C01C19N01179.7°65.3°
F03C01C19H1758.5°54.8°
F03C01C19H1859.1°174.7°
C22N01C19C0160.5°82.8°
C22N01C19S01175.3°180.0°
C22N01S01O0434.3°23.6°
C22N01S01O03176.8°151.5°
C22N01S01C1169.5°92.5°
N01C22C07H120.6°0.0°
C22N01C19H17178.3°37.3°
C22N01C19H1860.7°157.2°
N01C22C18H240.8°0.0°
C01C19N01H17121.2°120.1°
C01C19N01H18121.2°120.0°
C01C19N01S01124.2°97.2°
C01C19H17H18116.2°120.0°
F02C01C19N0159.9°54.7°
F02C01C19H1761.3°174.7°
F02C01C19H18178.9°65.3°
C19N01S01O04140.8°156.4°
C19N01S01O038.1°28.5°
C19N01S01C11115.4°87.5°
N01C19H17H18116.1°119.9°
N01S01O04O03149.8°116.7°
N01S01O04C11121.9°111.7°
N01S01O03C11123.3°111.7°
N01S01C11C265.6°178.5°
N01S01C11C03111.6°68.9°
N01S01C11H15125.0°54.8°
S01N01C19H173.0°142.7°
S01N01C19H18114.6°22.8°
O04S01O03C1191.0°131.6°
O04S01C11C26107.9°69.9°
O04S01C11C03134.9°42.7°
O04S01C11H1511.5°166.4°
O03S01C11C26132.1°66.9°
O03S01C11C0314.9°179.5°
O03S01C11H15108.5°56.8°
S01C11C26O0176.1°83.4°
S01C11C26C03128.7°118.2°
S01C11C26H15117.3°123.7°
S01C11C26C14173.7°172.2°
S01C11C03H15121.7°123.7°
S01C11C03C13105.7°118.1°
S01C11C26H646.5°42.6°
S01C11C03H812.6°123.7°
S01C11C03H9136.1°0.0°
O01C26C11C14110.3°104.4°
O01C26C11H6122.5°126.0°
O01C26C14H6132.9°126.1°
O01C26C11C0352.6°34.8°
O01C26C14C21173.3°147.8°
O01C26C14C233.8°32.2°
C26O01C13C0357.5°57.3°
C26O01C13C2355.3°50.6°
C26O01C13H2176.6°176.5°
O01C26C11H15166.6°152.9°
C11C26C14H6127.4°129.2°
C11C26O01C1367.9°57.4°
C26C11C03H15114.2°118.1°
C11C26C14C2173.6°107.5°
C11C26C14C2396.0°72.5°
C26C11C03C1318.4°0.0°
C26C11C03H8136.7°118.2°
C26C11C03H999.9°118.2°
C14C26O01C1339.5°50.6°
C14C26C11C0357.7°69.6°
C26C14C21C2541.7°65.0°
C26C14C21C23166.3°180.0°
C26C14C23C1330.6°0.0°
C26C14C21C10140.1°115.0°
C26C14C23C15142.6°180.0°
C14C26C11H1556.4°48.5°
O01C13C03C1122.2°34.7°
O01C13C23C1458.5°32.2°
O01C13C03C23102.6°104.4°
O01C13C03H2127.4°126.8°
O01C13C23H2123.2°126.5°
O01C13C23C15115.1°147.9°
C13O01C26H6171.2°176.8°
O01C13C03H896.1°153.0°
O01C13C03H9140.4°83.4°
C11C03C13H8118.3°118.2°
C11C03C13H9118.2°118.1°
C11C03C13C2380.4°69.7°
C11C03C13H2149.6°161.5°
C03C11C26H6175.1°160.8°
C11C03H8H9124.9°123.7°
C20C25C21H22180.0°179.2°
C25C20C09H4180.0°179.9°
C20C25C21C14178.1°179.4°
C20C25C21C100.1°0.5°
C25C20C09O06179.7°180.0°
C25C20C09C170.7°0.5°
C21C25C20C090.5°0.8°
C25C21C14C10178.1°180.0°
C25C21C14C23152.0°115.0°
C25C21C10C170.0°0.0°
C25C21C10H1179.9°179.8°
C21C25C20H4179.5°179.1°
C20C09O06C17179.0°179.4°
C20C09C17C100.5°0.0°
C20C09C17H3179.5°180.0°
C20C09O06H21180.0°90.0°
C09C20C25H22179.5°180.0°
C21C14C23C13138.5°180.0°
C21C14C23C1548.3°0.0°
C14C21C10C17178.3°180.0°
C14C21C10H11.7°0.3°
C21C14C26H653.8°21.8°
C14C21C25H221.9°0.3°
C14C23C13C0348.2°72.5°
C14C23C13C15173.5°180.0°
C23C14C21C1026.1°65.0°
C14C23C15C062.2°65.1°
C14C23C15C05178.3°114.7°
C14C23C13H2178.3°158.7°
C23C14C26H6136.6°158.2°
C03C13C23H2130.1°128.8°
C03C13C23C15138.3°107.5°
C13C03H8H9124.9°123.7°
C13C03C11H15132.6°118.2°
C13C23C15C06173.9°115.0°
C13C23C15C056.6°65.3°
C23C13C03H8161.3°48.6°
C23C13C03H937.8°172.2°
C21C10C17C090.2°0.3°
C21C10C17H1180.0°179.7°
C21C10C17H3179.8°179.7°
C10C21C25H22179.8°179.7°
C23C15C06C05179.6°179.7°
C23C15C06C08180.0°179.8°
C23C15C05C02179.7°179.8°
C15C23C13H28.1°21.3°
C23C15C05H100.3°0.3°
C23C15C06H110.0°0.2°
O06C09C17C10179.5°179.4°
O06C09C17H30.5°0.6°
O06C09C20H40.3°0.1°
C09C17C10H3180.0°180.0°
C09C17C10H1179.8°180.0°
C17C09C20H4179.3°179.4°
C17C09O06H211.0°89.4°
C15C06C08H11180.0°180.0°
C06C15C05C020.7°0.0°
C15C06C08C040.6°0.0°
C06C15C05H10179.3°180.0°
C15C06C08H14179.4°180.0°
C05C15C06C080.4°0.0°
C15C05C02H10180.0°180.0°
C15C05C02C040.0°0.0°
C15C05C02H7180.0°180.0°
C05C15C06H11179.6°180.0°
C06C08C04H14180.0°179.9°
C06C08C04C021.3°0.0°
C06C08C04O05178.4°180.0°
C05C02C04C081.0°0.0°
C05C02C04H7180.0°180.0°
C05C02C04O05178.2°179.9°
C08C04C02O05177.2°180.0°
C08C04C02H7179.0°180.0°
C04C08C06H11179.4°180.0°
C08C04O05H19180.0°90.0°
C04C02C05H10180.0°179.9°
C02C04C08H14178.7°180.0°
C02C04O05H193.0°90.0°
O05C04C02H71.8°0.1°
O05C04C08H141.6°0.1°
H1C10C17H30.1°0.0°
H2C13C03H831.4°80.2°
H2C13C03H992.1°43.4°
H4C20C25H220.5°0.1°
H5C24C07H120.2°0.0°
H6C26C11H1570.8°81.1°
H7C02C05H100.0°0.0°
H8C03C11H15109.1°0.0°
H9C03C11H1514.3°123.7°
H11C06C08H140.6°0.0°
H16C12C18H240.6°0.0°

222415

PDB entries from 2024-07-10

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