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X7Y

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C22C23doub1.38Å1.38ÅAromatic
C22C21sing1.38Å1.38ÅAromatic
C23C24sing1.38Å1.38ÅAromatic
C21C20doub1.40Å1.39ÅAromatic
C24C19doub1.39Å1.39ÅAromatic
C20C19sing1.40Å1.40ÅAromatic
C20Csing1.47Å1.50Å
OCdoub1.22Å1.22Å
C19N6sing1.39Å1.42Å
CNsing1.32Å1.37Å
N6C18sing1.47Å1.46Å
N6C3sing1.39Å1.39Å
NC1sing1.46Å1.46Å
NC2sing1.39Å1.42Å
C3C2doub1.40Å1.42ÅAromatic
C3N1sing1.33Å1.33ÅAromatic
C2C17sing1.39Å1.39ÅAromatic
N1C4doub1.33Å1.34ÅAromatic
C17N5doub1.33Å1.34ÅAromatic
C4N5sing1.32Å1.34ÅAromatic
C4N2sing1.39Å1.36Å
C16C15doub1.38Å1.38ÅAromatic
C16C5sing1.39Å1.39ÅAromatic
C15C9sing1.39Å1.39ÅAromatic
C10C11sing1.53Å1.51Å
C10N3sing1.47Å1.46Å
C11N4sing1.47Å1.46Å
N2C5sing1.40Å1.40Å
C5C6doub1.39Å1.40ÅAromatic
C9N3sing1.40Å1.38Å
C9C8doub1.39Å1.40ÅAromatic
N3C14sing1.47Å1.46Å
N4C12sing1.47Å1.46Å
N4C13sing1.47Å1.46Å
C6C8sing1.38Å1.38ÅAromatic
C6O1sing1.36Å1.37Å
C14C13sing1.53Å1.52Å
O1C7sing1.43Å1.42Å
C7H1sing1.09Å1.10Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C8H4sing1.08Å1.08Å
N2H5sing0.97Å1.00Å
C1H6sing1.09Å1.10Å
C1H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C13H17sing1.09Å1.10Å
C13H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C15H21sing1.08Å1.08Å
C16H22sing1.08Å1.08Å
C17H23sing1.08Å1.08Å
C18H24sing1.09Å1.10Å
C18H25sing1.09Å1.10Å
C18H26sing1.09Å1.10Å
C21H27sing1.08Å1.08Å
C22H28sing1.08Å1.08Å
C23H29sing1.08Å1.08Å
C24H30sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C23C22C21120.5°120.4°
C22C23C24120.5°120.3°
C23C22H28119.8°119.8°
C22C23H29119.8°119.9°
C22C21C20120.0°120.0°
C22C21H27120.0°120.0°
C21C22H28119.8°119.8°
C23C24C19119.6°120.0°
C24C23H29119.8°119.8°
C23C24H30120.2°120.0°
C21C20C19119.2°119.5°
C21C20C116.3°119.8°
C20C21H27120.0°120.1°
C24C19C20120.2°119.8°
C24C19N6118.9°119.7°
C19C24H30120.2°120.0°
C19C20C124.5°120.8°
C20C19N6120.8°120.5°
C20CO119.7°117.2°
C20CN119.6°125.6°
OCN120.7°117.2°
C19N6C18118.5°120.5°
C19N6C3111.0°119.0°
CNC1116.7°116.6°
CNC2124.9°126.9°
C18N6C3115.6°120.5°
N6C18H24109.5°109.5°
N6C18H25109.5°109.4°
N6C18H26109.5°109.4°
N6C3C2121.8°120.6°
N6C3N1116.4°120.0°
C1NC2118.4°116.5°
NC1H6109.5°109.5°
NC1H7109.5°109.5°
NC1H8109.5°109.5°
NC2C3123.5°122.0°
NC2C17120.9°119.9°
C2C3N1121.8°119.3°
C3C2C17115.6°118.1°
C3N1C4116.9°120.6°
C2C17N5123.4°119.3°
C2C17H23118.3°120.4°
N1C4N5126.5°121.6°
N1C4N2116.5°119.2°
C17N5C4115.8°121.1°
N5C17H23118.3°120.3°
N5C4N2116.9°119.2°
C4N2C5131.4°120.0°
C4N2H5114.3°120.0°
C15C16C5120.5°120.1°
C16C15C9120.9°120.0°
C16C15H21119.5°120.0°
C15C16H22119.7°119.9°
C16C5N2123.1°120.0°
C16C5C6118.7°120.0°
C5C16H22119.7°120.0°
C15C9N3120.2°119.9°
C15C9C8118.7°120.1°
C9C15H21119.6°120.0°
C11C10N3110.3°109.3°
C10C11N4110.9°109.4°
C11C10H10109.3°109.5°
C11C10H11109.3°109.5°
C10C11H12109.1°109.5°
C10C11H13109.1°109.5°
C10N3C9118.3°111.0°
C10N3C14112.0°110.9°
N3C10H10109.3°109.5°
N3C10H11109.3°109.5°
C11N4C12110.7°111.0°
C11N4C13109.5°110.8°
N4C11H12109.1°109.5°
N4C11H13109.1°109.4°
N2C5C6118.1°120.0°
C5N2H5114.3°120.0°
C5C6C8120.7°119.9°
C5C6O1114.7°120.1°
N3C9C8121.0°120.0°
C9N3C14121.0°111.0°
C9C8C6120.4°120.0°
C9C8H4119.8°120.0°
N3C14C13110.1°109.3°
N3C14H19109.3°109.5°
N3C14H20109.3°109.5°
C12N4C13110.7°111.0°
N4C12H14109.5°109.5°
N4C12H15109.5°109.4°
N4C12H16109.5°109.5°
N4C13C14110.9°109.4°
N4C13H17109.1°109.5°
N4C13H18109.1°109.5°
C8C6O1124.6°120.1°
C6C8H4119.8°120.0°
C6O1C7117.5°117.0°
C14C13H17109.1°109.5°
C14C13H18109.1°109.5°
C13C14H19109.3°109.5°
C13C14H20109.3°109.4°
O1C7H1109.5°109.5°
O1C7H2109.4°109.5°
O1C7H3109.5°109.5°
H1C7H2109.4°109.5°
H1C7H3109.5°109.4°
H2C7H3109.5°109.4°
H6C1H7109.5°109.5°
H6C1H8109.4°109.5°
H7C1H8109.5°109.4°
H10C10H11109.5°109.5°
H12C11H13109.5°109.5°
H14C12H15109.5°109.4°
H14C12H16109.4°109.5°
H15C12H16109.5°109.5°
H17C13H18109.5°109.5°
H19C14H20109.5°109.5°
H24C18H25109.5°109.5°
H24C18H26109.4°109.5°
H25C18H26109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C23C22C21H28180.0°180.0°
C22C23C24H29180.0°180.0°
C23C22C21C200.1°0.1°
C22C23C24C190.1°0.2°
C23C22C21H27179.9°180.0°
C22C23C24H30179.9°179.9°
C21C22C23C240.2°0.8°
C22C21C20H27180.0°180.0°
C22C21C20C190.4°1.5°
C22C21C20C178.3°177.5°
C21C22C23H29179.7°179.2°
C23C24C19H30180.0°179.9°
C23C24C19C200.6°1.2°
C23C24C19N6177.2°178.4°
C24C23C22H28179.7°179.2°
C21C20C19C240.7°2.0°
C21C20C19C178.6°178.9°
C21C20CO41.7°37.7°
C21C20C19N6177.0°177.5°
C21C20CN138.6°142.3°
C20C21C22H28179.9°179.9°
C24C19C20N6177.8°179.6°
C24C19C20C177.8°176.9°
C24C19N6C1823.7°61.3°
C24C19N6C3113.6°118.7°
C19C24C23H29179.9°179.8°
C19C20CO136.9°141.2°
C19C20CN42.8°38.8°
C20C19N6C18158.5°119.2°
C20C19N6C364.3°60.9°
C19C20C21H27179.6°178.6°
C20C19C24H30179.4°178.7°
C20CON179.7°180.0°
CC20C19N64.4°3.5°
C20CNC1179.6°179.8°
C20CNC20.1°0.2°
CC20C21H271.7°2.5°
OCNC10.1°0.1°
OCNC2179.5°179.8°
C19N6C18C3135.3°179.9°
C19N6C3C264.1°60.0°
C19N6C3N1116.3°117.9°
C19N6C18H24180.0°90.0°
C19N6C18H2560.0°150.0°
C19N6C18H2660.0°30.0°
N6C19C24H302.7°1.7°
CNC1C2179.5°180.0°
CNC2C342.6°40.5°
CNC2C17141.3°141.6°
CNC1H6180.0°90.0°
CNC1H760.0°30.0°
CNC1H860.0°150.0°
C18N6C3C2157.3°120.1°
C18N6C3N122.3°62.0°
N6C18H24H25120.0°120.0°
N6C18H24H26120.0°120.0°
N6C18H25H26120.0°119.9°
N6C3C2N4.5°6.3°
N6C3C2N1179.6°177.9°
N6C3C2C17179.2°175.7°
N6C3N1C4178.6°176.4°
C3N6C18H2444.7°89.9°
C3N6C18H2575.3°30.1°
C3N6C18H26164.7°150.0°
C1NC2C3136.9°139.6°
C1NC2C1739.2°38.4°
NC1H6H7120.0°120.0°
NC1H6H8120.0°120.0°
NC1H7H8120.0°120.0°
NC2C3C17176.3°178.0°
NC2C3N1175.1°175.8°
NC2C17N5174.4°176.6°
C2NC1H60.5°90.0°
C2NC1H7119.5°150.0°
C2NC1H8120.5°30.0°
NC2C17H235.5°3.4°
C2C3N1C41.0°1.5°
C3C2C17N52.0°1.4°
C3C2C17H23178.0°178.6°
N1C3C2C171.2°2.2°
C3N1C4N53.0°0.1°
C3N1C4N2171.8°180.0°
C2C17N5H23180.0°180.0°
C2C17N5C40.4°0.1°
N1C4N5C172.3°0.9°
N1C4N5N2174.8°179.9°
N1C4N2C55.0°173.9°
N1C4N2H5175.0°6.1°
C17N5C4N2172.4°179.2°
N5C4N2C5179.7°6.0°
N5C4N2H50.3°174.0°
C4N5C17H23179.7°179.9°
C4N2C5C1611.8°31.2°
C4N2C5H5180.0°180.0°
C4N2C5C6164.8°148.8°
C15C16C5H22180.0°179.7°
C16C15C9H21180.0°180.0°
C15C16C5N2179.2°179.7°
C15C16C5C62.7°0.3°
C16C15C9N3174.8°180.0°
C16C15C9C81.8°0.0°
C5C16C15C92.4°0.2°
C16C5N2C6176.5°180.0°
C16C5C6C82.4°0.0°
C16C5C6O1175.5°180.0°
C16C5N2H5168.3°148.8°
C5C16C15H21177.6°179.8°
C15C9N3C105.3°123.8°
C15C9N3C8176.5°180.0°
C15C9N3C14150.3°0.0°
C15C9C8C61.5°0.3°
C15C9C8H4178.5°180.0°
C9C15C16H22177.6°179.9°
C11C10N3H10120.1°120.0°
C11C10N3H11120.1°120.0°
C10C11N4H12120.2°120.1°
C10C11N4H13120.2°120.0°
C11C10N3C9156.7°176.8°
C11C10N3C1455.2°59.3°
C10C11N4C12178.7°176.8°
C10C11N4C1359.0°59.4°
C11C10H10H11119.6°120.1°
C10C11H12H13119.4°120.1°
N3C10C11N457.0°58.5°
C10N3C9C14145.1°123.8°
C10N3C9C8178.2°56.2°
C10N3C14C1355.1°59.3°
N3C10H10H11119.7°120.0°
N3C10C11H12177.2°61.6°
N3C10C11H1363.2°178.4°
C10N3C14H19175.2°179.3°
C10N3C14H2065.0°60.6°
C11N4C12C13121.6°123.7°
C11N4C13C1459.0°59.3°
N4C11C10H10177.1°61.5°
N4C11C10H1163.1°178.4°
N4C11H12H13119.3°120.0°
C11N4C12H14180.0°176.2°
C11N4C12H1560.0°56.3°
C11N4C12H1660.0°63.7°
C11N4C13H17179.2°179.3°
C11N4C13H1861.2°60.7°
N2C5C6C8179.1°180.0°
N2C5C6O11.2°0.0°
N2C5C16H220.8°0.0°
C5C6C8C91.9°0.2°
C5C6C8O1177.7°180.0°
C5C6O1C7174.8°180.0°
C5C6C8H4178.1°180.0°
C6C5N2H515.2°31.2°
C6C5C16H22177.4°180.0°
N3C9C8C6175.0°179.8°
C9N3C14C13157.8°176.8°
N3C9C8H45.0°0.0°
C9N3C10H1036.6°63.2°
C9N3C10H1183.2°56.8°
C9N3C14H1937.7°56.8°
C9N3C14H2082.1°63.2°
N3C9C15H215.2°0.0°
C8C9N3C1433.2°180.0°
C9C8C6H4180.0°179.8°
C9C8C6O1175.8°179.8°
C8C9C15H21178.2°180.0°
N3C14C13N457.0°58.4°
N3C14C13H19120.1°120.0°
N3C14C13H20120.1°120.0°
C14N3C10H10175.3°60.6°
C14N3C10H1164.9°179.3°
N3C14C13H17177.2°178.4°
N3C14C13H1863.2°61.6°
N3C14H19H20119.7°120.1°
C12N4C13C14178.7°176.8°
C12N4C11H1258.4°63.1°
C12N4C11H1361.1°56.9°
N4C12H14H15120.0°119.9°
N4C12H14H16120.0°120.1°
N4C12H15H16120.0°120.0°
C12N4C13H1758.5°56.9°
C12N4C13H1861.1°63.1°
N4C13C14H17120.2°120.0°
N4C13C14H18120.2°120.0°
C13N4C11H12179.3°60.7°
C13N4C11H1361.2°179.3°
C13N4C12H1458.4°60.1°
C13N4C12H15178.4°180.0°
C13N4C12H1661.6°60.0°
N4C13H17H18119.3°120.0°
N4C13C14H19177.0°178.4°
N4C13C14H2063.1°61.6°
C8C6O1C73.0°0.0°
C6O1C7H1180.0°60.1°
C6O1C7H260.0°60.0°
C6O1C7H360.0°180.0°
O1C6C8H44.2°0.0°
C14C13H17H18119.4°120.1°
C13C14H19H20119.7°120.0°
O1C7H1H2120.0°120.1°
O1C7H1H3120.0°120.0°
O1C7H2H3120.0°120.0°
H1C7H2H3120.0°119.9°
H6C1H7H8120.0°120.0°
H10C10C11H1262.6°178.5°
H10C10C11H1357.0°58.4°
H11C10C11H1257.1°58.4°
H11C10C11H13176.7°61.7°
H14C12H15H16120.0°120.0°
H17C13C14H1962.7°61.7°
H17C13C14H2057.1°58.4°
H18C13C14H1956.9°58.4°
H18C13C14H20176.7°178.4°
H21C15C16H222.4°0.1°
H24C18H25H26119.9°120.1°
H27C21C22H280.1°0.1°
H28C22C23H290.3°0.8°
H29C23C24H300.1°0.1°

225946

PDB entries from 2024-10-09

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