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1TI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C26C25sing1.53Å1.47Å
C26C23sing1.53Å1.41Å
C25C23sing1.53Å1.44Å
C24C23sing1.53Å1.51Å
C23C20sing1.53Å1.55Å
C20C19sing1.55Å1.54Å
C20C21sing1.47Å1.45Å
C20C22sing1.51Å1.49Å
C19C18sing1.54Å1.51Å
C21N5trip1.14Å1.12Å
C18N4sing1.47Å1.47Å
C22N4sing1.34Å1.36Å
C22O1doub1.21Å1.19Å
N4C3sing1.40Å1.41Å
C3C4doub1.39Å1.37ÅAromatic
C3C2sing1.39Å1.37ÅAromatic
C4C5sing1.39Å1.37ÅAromatic
OC6doub1.22Å1.21Å
C2C1doub1.38Å1.38ÅAromatic
C5C6sing1.48Å1.50Å
C5Ndoub1.33Å1.33ÅAromatic
C6N1sing1.35Å1.33Å
N1C7sing1.47Å1.46Å
C7C8sing1.51Å1.51Å
C1Nsing1.32Å1.34ÅAromatic
C1Csing1.51Å1.48Å
C8C13doub1.38Å1.39ÅAromatic
C8C9sing1.38Å1.38ÅAromatic
C13C12sing1.39Å1.39ÅAromatic
C9C10doub1.39Å1.37ÅAromatic
C17C14doub1.36Å1.36ÅAromatic
C17N3sing1.35Å1.33ÅAromatic
C12C14sing1.48Å1.46Å
C12C11doub1.39Å1.38ÅAromatic
C10C11sing1.38Å1.35ÅAromatic
C10Fsing1.35Å1.32Å
C16N3sing1.46Å1.45Å
C14C15sing1.41Å1.39ÅAromatic
N3N2sing1.40Å1.34ÅAromatic
C15N2doub1.31Å1.31ÅAromatic
CH1sing1.09Å1.10Å
CH2sing1.09Å1.10Å
CH3sing1.09Å1.10Å
C11H4sing1.08Å1.08Å
C13H5sing1.08Å1.08Å
C15H6sing1.08Å1.08Å
C16H7sing1.09Å1.10Å
C16H8sing1.09Å1.10Å
C16H9sing1.09Å1.10Å
C17H10sing1.08Å1.08Å
C18H11sing1.09Å1.10Å
C18H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C2H15sing1.08Å1.08Å
C24H16sing1.09Å1.10Å
C24H17sing1.09Å1.10Å
C24H18sing1.09Å1.10Å
C25H19sing1.09Å1.10Å
C25H20sing1.09Å1.10Å
C26H21sing1.09Å1.10Å
C26H22sing1.09Å1.10Å
C4H23sing1.08Å1.08Å
C7H24sing1.09Å1.10Å
C7H25sing1.09Å1.10Å
C9H26sing1.08Å1.08Å
N1H27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C25C26C2360.1°60.0°
C26C25C2357.9°60.0°
C26C25H19120.3°117.5°
C26C25H20120.3°117.5°
C25C26H21120.0°117.5°
C25C26H22120.0°117.5°
C26C23C2562.0°60.0°
C26C23C24116.5°117.5°
C26C23C20118.9°117.5°
C23C26H21120.0°117.5°
C23C26H22120.0°117.5°
C25C23C24118.3°117.5°
C25C23C20116.9°117.5°
C23C25H19120.3°117.5°
C23C25H20120.3°117.4°
C24C23C20114.4°115.6°
C23C24H16109.5°109.5°
C23C24H17109.5°109.4°
C23C24H18109.5°109.4°
C23C20C19114.5°110.5°
C23C20C21112.3°110.4°
C23C20C22107.3°110.6°
C19C20C21109.6°110.5°
C19C20C22103.4°104.2°
C20C19C18103.4°101.8°
C20C19H13111.0°111.0°
C20C19H14111.0°111.0°
C21C20C22109.2°110.5°
C20C21N5176.9°180.0°
C20C22N4108.2°110.1°
C20C22O1126.4°124.9°
C19C18N4103.5°105.4°
C19C18H11110.9°110.3°
C19C18H12111.0°110.4°
C18C19H13111.0°110.9°
C18C19H14111.0°111.0°
C18N4C22112.8°111.3°
C18N4C3117.4°124.3°
N4C18H11110.9°110.2°
N4C18H12110.9°110.3°
N4C22O1125.4°124.9°
C22N4C3129.4°124.4°
N4C3C4118.7°120.8°
N4C3C2122.1°120.8°
C4C3C2119.0°118.3°
C3C4C5118.6°119.0°
C3C4H23120.7°120.5°
C3C2C1119.1°119.3°
C3C2H15120.4°120.4°
C4C5C6118.5°119.7°
C4C5N123.3°120.6°
C5C4H23120.7°120.5°
OC6C5120.7°120.0°
OC6N1122.8°120.0°
C2C1N122.1°121.0°
C2C1C121.5°119.5°
C1C2H15120.4°120.3°
C6C5N118.2°119.7°
C5C6N1116.5°120.0°
C5NC1117.9°121.8°
C6N1C7121.9°120.0°
C6N1H27119.1°120.0°
N1C7C8114.0°109.4°
N1C7H24108.3°109.4°
N1C7H25108.3°109.4°
C7N1H27119.1°120.0°
C7C8C13120.8°120.0°
C7C8C9120.0°119.9°
C8C7H24108.3°109.6°
C8C7H25108.3°109.5°
NC1C116.4°119.5°
C1CH1109.5°109.5°
C1CH2109.5°109.5°
C1CH3109.5°109.5°
C13C8C9119.1°120.1°
C8C13C12120.6°120.0°
C8C13H5119.7°120.0°
C8C9C10118.7°120.2°
C8C9H26120.6°119.9°
C13C12C14120.7°120.1°
C13C12C11119.7°119.8°
C12C13H5119.7°120.0°
C9C10C11123.6°120.0°
C9C10F118.6°120.0°
C10C9H26120.7°119.9°
C14C17N3106.9°107.6°
C17C14C12127.7°126.2°
C17C14C15104.3°107.5°
C14C17H10126.5°126.2°
C17N3C16127.6°125.9°
C17N3N2112.2°108.2°
N3C17H10126.5°126.2°
C14C12C11119.6°120.1°
C12C14C15128.0°126.2°
C12C11C10118.2°119.9°
C12C11H4120.9°120.1°
C11C10F117.8°120.0°
C10C11H4120.9°120.0°
C16N3N2120.1°125.9°
N3C16H7109.5°109.5°
N3C16H8109.5°109.5°
N3C16H9109.5°109.5°
C14C15N2112.2°108.1°
C14C15H6123.9°126.0°
N3N2C15104.4°108.6°
N2C15H6123.9°125.9°
H1CH2109.4°109.4°
H1CH3109.4°109.5°
H2CH3109.5°109.4°
H7C16H8109.4°109.5°
H7C16H9109.4°109.4°
H8C16H9109.5°109.4°
H11C18H12109.5°110.2°
H13C19H14109.4°110.8°
H16C24H17109.5°109.5°
H16C24H18109.4°109.5°
H17C24H18109.5°109.5°
H19C25H20109.5°115.6°
H21C26H22109.5°115.6°
H24C7H25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C25C26C23H21109.5°107.5°
C25C26C23H22109.5°107.5°
C26C25C23H19108.9°107.5°
C26C25C23H20108.9°107.5°
C26C25C23C24106.7°107.5°
C25C26C23C20107.0°107.5°
C26C25H19H20145.9°145.8°
C25C26H21H22144.7°145.7°
C26C23C24C20145.1°145.7°
C26C23C20C1982.8°111.3°
C26C23C20C2143.1°11.3°
C26C23C20C22163.1°133.9°
C26C23C24H16180.0°154.3°
C26C23C24H1760.0°34.3°
C26C23C24H1860.0°85.7°
C23C26H21H22144.7°145.6°
C25C23C24C20144.0°145.7°
C25C23C20C19154.0°179.9°
C25C23C20C2128.2°57.3°
C25C23C20C2291.9°65.3°
C25C23C24H16109.2°85.7°
C25C23C24H1710.9°34.3°
C25C23C24H18130.9°154.3°
C23C25H19H20145.9°145.6°
C24C23C20C1961.4°34.4°
C24C23C20C21172.7°157.0°
C24C23C20C2252.7°80.4°
C23C24H16H17120.0°120.0°
C23C24H16H18120.0°120.0°
C23C24H17H18120.0°119.9°
C24C23C25H19144.4°0.0°
C24C23C25H202.2°145.0°
C24C23C26H210.1°145.0°
C24C23C26H22140.9°0.0°
C23C20C19C21127.3°122.5°
C23C20C19C22116.4°118.8°
C23C20C21C22118.9°122.7°
C23C20C19C1887.4°143.6°
C23C20C21N5103.3°92.5°
C23C20C22N4100.1°135.0°
C23C20C22O178.3°45.1°
C23C20C19H1331.7°98.3°
C23C20C19H14153.6°25.4°
C20C23C24H1634.9°60.0°
C20C23C24H17154.9°180.0°
C20C23C24H1885.1°60.0°
C20C23C25H191.2°145.0°
C20C23C25H20141.0°0.0°
C20C23C26H21143.5°0.0°
C20C23C26H222.5°145.0°
C19C20C21C22112.6°114.8°
C20C19C18H13119.0°118.1°
C20C19C18H14119.0°118.2°
C19C20C21N5128.2°144.9°
C20C19C18N426.2°25.5°
C19C20C22N421.3°16.3°
C19C20C22O1160.3°163.8°
C20C19C18H1192.9°144.4°
C20C19C18H12145.2°93.6°
C20C19H13H14122.8°123.8°
C21C20C19C18145.3°93.8°
C21C20C22N4137.9°102.4°
C21C20C22O143.7°77.5°
C21C20C19H1395.6°24.3°
C21C20C19H1426.3°147.9°
C22C20C19C1829.0°24.9°
C22C20C21N515.6°30.1°
C20C22N4C184.7°0.4°
C20C22N4O1178.4°179.9°
C20C22N4C3167.3°179.6°
C22C20C19H13148.0°143.0°
C22C20C19H1490.1°93.4°
C19C18N4H11119.0°119.0°
C19C18N4H12119.1°119.1°
C19C18N4C2214.2°17.1°
C19C18N4C3172.7°162.9°
C19C18H11H12122.8°122.1°
C18C19H13H14122.8°123.8°
C18N4C22C3172.1°180.0°
C18N4C22O1176.8°179.5°
C18N4C3C42.0°0.0°
C18N4C3C2176.7°179.9°
N4C18H11H12122.7°121.9°
N4C18C19H13145.2°143.6°
N4C18C19H1492.9°92.8°
C22N4C3C4169.7°180.0°
C22N4C3C25.0°0.1°
C22N4C18H11104.8°136.1°
C22N4C18H12133.3°102.1°
O1C22N4C311.1°0.5°
N4C3C4C2174.8°179.9°
N4C3C4C5173.3°180.0°
N4C3C2C1172.9°180.0°
C3N4C18H1168.3°43.9°
C3N4C18H1253.7°77.9°
N4C3C2H157.1°0.1°
N4C3C4H236.7°0.0°
C3C4C5H23180.0°180.0°
C4C3C2C11.8°0.1°
C3C4C5C6177.8°180.0°
C3C4C5N0.2°0.0°
C4C3C2H15178.2°180.0°
C2C3C4C51.5°0.0°
C3C2C1H15180.0°179.9°
C3C2C1N0.4°0.1°
C3C2C1C179.5°180.0°
C2C3C4H23178.5°179.9°
C4C5C6O18.4°0.1°
C4C5C6N178.1°179.9°
C4C5C6N1161.5°180.0°
C4C5NC11.6°0.0°
OC6C5N1179.9°179.9°
OC6C5N159.7°180.0°
OC6N1C72.6°0.0°
OC6N1H27177.4°180.0°
C2C1NC51.3°0.0°
C2C1NC179.2°180.0°
C2C1CH1179.2°89.9°
C2C1CH259.2°30.0°
C2C1CH360.8°150.0°
C5C6N1C7177.3°180.0°
C6C5NC1176.4°180.0°
C6C5C4H232.2°0.0°
C5C6N1H272.7°0.0°
NC5C6N120.4°0.0°
C5NC1C177.9°180.0°
NC5C4H23179.9°180.0°
C6N1C7H27180.0°180.0°
C6N1C7C895.7°180.0°
C6N1C7H24143.7°60.0°
C6N1C7H2525.0°60.0°
N1C7C8H24120.6°120.0°
N1C7C8H25120.7°119.9°
N1C7C8C1380.7°90.0°
N1C7C8C996.0°89.8°
N1C7H24H25118.0°120.0°
C7C8C13C9176.8°179.8°
C7C8C13C12175.8°180.0°
C7C8C9C10175.1°179.7°
C7C8C13H54.2°0.0°
C8C7H24H25118.0°120.1°
C7C8C9H264.9°0.0°
C8C7N1H2784.3°0.0°
NC1CH10.0°90.1°
NC1CH2120.0°150.0°
NC1CH3120.0°30.0°
NC1C2H15179.6°180.0°
C1CH1H2120.0°120.0°
C1CH1H3120.0°120.1°
C1CH2H3120.0°120.0°
CC1C2H150.5°0.1°
C8C13C12H5180.0°179.9°
C13C8C9C101.7°0.6°
C8C13C12C14177.2°180.0°
C8C13C12C110.9°0.0°
C13C8C7H24158.7°150.0°
C13C8C7H2540.0°29.9°
C13C8C9H26178.3°179.7°
C9C8C13C121.0°0.3°
C8C9C10H26180.0°179.7°
C8C9C10C110.6°0.6°
C8C9C10F179.1°179.7°
C9C8C13H5179.0°179.8°
C9C8C7H2424.6°30.2°
C9C8C7H25143.3°150.3°
C13C12C14C172.5°179.7°
C13C12C14C11178.1°179.9°
C13C12C11C102.0°0.1°
C13C12C14C15175.2°0.0°
C13C12C11H4178.0°180.0°
C9C10C11C121.3°0.2°
C9C10C11F178.5°179.7°
C9C10C11H4178.7°179.7°
C14C17N3H10180.0°180.0°
C17C14C12C15177.8°179.7°
C17C14C12C11175.6°0.2°
C14C17N3C16178.3°180.0°
C14C17N3N20.5°0.2°
C17C14C15N20.1°0.2°
C17C14C15H6179.9°179.7°
N3C17C14C12178.4°180.0°
C17N3C16N2178.7°179.8°
N3C17C14C150.2°0.2°
C17N3N2C150.5°0.0°
C17N3C16H7178.7°89.9°
C17N3C16H858.7°150.0°
C17N3C16H961.3°30.0°
C14C12C11C10176.1°180.0°
C12C14C15N2178.0°180.0°
C14C12C11H43.9°0.1°
C14C12C13H52.8°0.0°
C12C14C15H62.0°0.1°
C12C14C17H101.7°0.1°
C12C11C10H4180.0°179.9°
C12C11C10F177.2°180.0°
C11C12C14C156.6°180.0°
C11C12C13H5179.1°179.9°
C11C10C9H26179.4°179.8°
FC10C11H42.8°0.0°
FC10C9H260.9°0.0°
C16N3N2C15178.4°179.9°
N3C16H7H8120.0°120.1°
N3C16H7H9120.0°120.0°
N3C16H8H9120.0°120.0°
C16N3C17H101.6°0.1°
C14C15N2N30.4°0.1°
C14C15N2H6180.0°180.0°
C15C14C17H10179.8°179.7°
N3N2C15H6179.6°179.8°
N2N3C16H70.0°90.2°
N2N3C16H8120.0°29.9°
N2N3C16H9120.0°149.8°
N2N3C17H10179.6°179.8°
H1CH2H3119.9°120.0°
H7C16H8H9119.9°120.0°
H11C18C19H1326.2°97.5°
H11C18C19H14148.1°26.2°
H12C18C19H1395.8°24.5°
H12C18C19H1426.2°148.2°
H16C24H17H18119.9°120.1°
H19C25C26H21141.6°145.1°
H19C25C26H220.6°0.0°
H20C25C26H210.6°0.1°
H20C25C26H22141.6°145.1°
H24C7N1H2736.3°120.1°
H25C7N1H27155.0°119.9°

222415

PDB entries from 2024-07-10

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