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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.47Å1.50Å
N1HN11sing1.01Å1.00Å
N1HN12sing1.01Å1.00Å
C2C3sing1.53Å1.54Å
C2C10sing1.51Å1.54Å
C2H2sing1.09Å1.10Å
C3C4sing1.51Å34.89Å
C3H31sing1.09Å1.10Å
C3H32sing1.09Å1.10Å
C4C5doub1.38Å35.77ÅAromatic
C4C6sing1.38Å36.32ÅAromatic
C5C7sing1.38Å1.39ÅAromatic
C5H5sing1.08Å1.08Å
C6C8doub1.38Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
C7C9doub1.38Å1.37ÅAromatic
C7H7sing1.08Å1.08Å
C8C9sing1.38Å1.39ÅAromatic
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C10O11doub1.21Å1.23Å
C10N12sing1.35Å1.35Å
N12C13sing1.47Å1.48Å
N12C14sing1.47Å1.48Å
C13C16sing1.55Å1.48Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C14C15sing1.54Å1.55Å
C14C17sing1.51Å1.52Å
C14H14sing1.09Å1.10Å
C15C16sing1.55Å1.52Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17O18doub1.21Å1.23Å
C17N19sing1.35Å1.33Å
N19C20sing1.46Å1.47Å
N19H19sing0.97Å1.00Å
C20C30sing1.53Å1.50Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C30N27sing1.46Å1.42Å
C30H301sing1.09Å1.10Å
C30H302sing1.09Å1.10Å
N27C21sing1.39Å1.33Å
N27H27sing0.97Å1.00Å
C21C22doub1.39Å1.38ÅAromatic
C21C26sing1.40Å1.40ÅAromatic
C22C23sing1.38Å1.40ÅAromatic
C22H22sing1.08Å1.08Å
C23N24doub1.32Å1.33ÅAromatic
C23H23sing1.08Å1.08Å
N24C25sing1.32Å1.35ÅAromatic
C25C26doub1.38Å1.40ÅAromatic
C25H25sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1HN11109.5°111.0°
C2N1HN12109.5°111.0°
N1C2C3109.1°109.5°
N1C2C10105.6°109.5°
N1C2H2112.6°109.5°
HN11N1HN12109.5°111.0°
C3C2C10110.6°109.5°
C3C2H2107.8°109.5°
C2C3C442.8°109.5°
C2C3H31110.3°109.5°
C2C3H32110.3°109.5°
C10C2H2111.2°109.5°
C2C10O11119.6°120.0°
C2C10N12117.5°120.0°
C4C3H3168.2°109.4°
C4C3H32131.9°109.5°
C3C4C53.8°120.0°
C3C4C63.3°120.0°
H31C3H32108.6°109.5°
C5C4C63.7°120.0°
C4C5C7115.9°120.0°
C4C5H562.4°119.9°
C4C6C8115.6°120.0°
C4C6H669.9°120.1°
C7C5H5165.0°120.0°
C5C7C9120.7°120.0°
C5C7H7119.6°120.0°
C8C6H6165.1°119.9°
C6C8C9119.2°120.0°
C6C8H8120.4°120.0°
C9C7H7119.7°120.0°
C7C9C8119.6°120.0°
C7C9H9120.2°120.0°
C9C8H8120.4°120.0°
C8C9H9120.2°120.0°
O11C10N12122.8°120.0°
C10N12C13125.9°125.7°
C10N12C14121.5°125.7°
C13N12C14111.5°108.7°
N12C13C16102.0°104.8°
N12C13H131112.0°110.4°
N12C13H132112.0°110.4°
N12C14C15103.0°107.3°
N12C14C17111.6°109.9°
N12C14H14113.0°109.9°
C16C13H131112.1°110.3°
C16C13H132112.1°110.4°
C13C16C15104.5°101.5°
C13C16H161111.1°111.1°
C13C16H162111.2°111.0°
H131C13H132106.8°110.4°
C15C14C17111.2°109.9°
C15C14H14113.4°109.9°
C14C15C16104.8°102.9°
C14C15H151111.1°110.7°
C14C15H152111.1°110.7°
C17C14H14105.0°110.0°
C14C17O18120.6°120.0°
C14C17N19117.2°120.1°
C16C15H151111.1°110.6°
C16C15H152111.1°110.8°
C15C16H161111.2°111.1°
C15C16H162111.2°110.9°
H151C15H152107.8°110.8°
H161C16H162107.7°110.9°
O18C17N19122.2°120.0°
C17N19C20123.7°120.0°
C17N19H19118.2°120.0°
C20N19H19118.2°120.0°
N19C20C30111.8°109.5°
N19C20H201108.7°109.5°
N19C20H202108.7°109.4°
C30C20H201108.7°109.5°
C30C20H202108.7°109.4°
C20C30N27108.0°109.5°
C20C30H301110.0°109.5°
C20C30H302110.0°109.4°
H201C20H202110.2°109.4°
N27C30H301110.0°109.5°
N27C30H302110.0°109.4°
C30N27C21121.7°120.0°
C30N27H27105.6°120.0°
H301C30H302109.0°109.4°
C21N27H27105.6°120.0°
N27C21C22116.3°120.9°
N27C21C26124.7°120.8°
C22C21C26118.9°118.3°
C21C22C23119.8°119.1°
C21C22H22120.1°120.5°
C21C26C25118.9°119.1°
C21C26H26120.5°120.5°
C23C22H22120.1°120.5°
C22C23N24120.5°120.9°
C22C23H23119.8°119.6°
N24C23H23119.7°119.5°
C23N24C25121.0°121.9°
N24C25C26120.9°120.8°
N24C25H25119.6°119.6°
C26C25H25119.6°119.6°
C25C26H26120.6°120.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1HN11HN12120.0°123.9°
N1C2C3C10115.7°120.0°
N1C2C3H2122.6°120.0°
N1C2C10H2122.4°120.0°
N1C2C3C486.5°65.0°
N1C2C3H3176.0°175.0°
N1C2C3H3243.9°55.0°
N1C2C10O1147.1°20.0°
N1C2C10N12129.7°160.0°
HN11N1C2C3180.0°60.0°
HN11N1C2C1061.1°60.0°
HN11N1C2H260.4°180.0°
HN12N1C2C360.0°176.0°
HN12N1C2C10178.8°64.0°
HN12N1C2H259.7°56.0°
C3C2C10H2119.7°120.0°
C2C3C4H31169.4°120.0°
C2C3C4H3273.5°120.0°
C2C3H31H32121.0°120.0°
C2C3C4C5118.0°90.0°
C2C3C4C656.6°90.3°
C3C2C10O1170.8°100.0°
C3C2C10N12112.5°80.0°
C10C2C3C429.1°175.0°
C10C2C3H3139.7°55.0°
C10C2C3H32159.6°65.0°
C2C10O11N12176.5°180.0°
C2C10N12C1313.4°0.1°
C2C10N12C14179.3°179.7°
H2C2C3C4150.9°55.0°
H2C2C3H31161.4°65.0°
H2C2C3H3278.6°175.0°
H2C2C10O11169.5°140.0°
H2C2C10N127.3°40.0°
C4C3H31H32128.7°120.0°
C3C4C5C652.0°179.7°
C3C4C5C7147.7°180.0°
C3C4C5H549.0°0.0°
C3C4C6C8149.8°180.0°
C3C4C6H645.2°0.1°
H31C3C4C572.6°30.0°
H31C3C4C6134.0°149.7°
H32C3C4C5168.5°150.0°
H32C3C4C6130.1°29.7°
C4C5C7H579.5°180.0°
C5C4C6C883.1°0.3°
C5C4C6H6111.9°179.7°
C4C5C7C9102.3°0.0°
C4C5C7H777.7°179.9°
C6C4C5C795.7°0.3°
C6C4C5H5101.0°179.7°
C4C6C8H6108.9°179.9°
C4C6C8C972.9°0.0°
C4C6C8H8107.2°180.0°
C5C7C9H7180.0°179.9°
C5C7C9C81.0°0.3°
C5C7C9H9179.0°180.0°
H5C5C7C9178.2°180.0°
H5C5C7H71.8°0.1°
C6C8C9C71.0°0.3°
C6C8C9H8180.0°179.9°
C6C8C9H9179.0°180.0°
H6C6C8C9178.2°180.0°
H6C6C8H81.7°0.1°
C7C9C8H9180.0°179.7°
C7C9C8H8178.9°179.7°
H7C7C9C8179.0°179.8°
H7C7C9H91.0°0.1°
H8C8C9H91.0°0.0°
O11C10N12C13163.2°179.9°
O11C10N12C144.1°0.4°
C10N12C13C14168.4°179.6°
C10N12C13C16163.6°155.9°
C10N12C13H13143.5°37.2°
C10N12C13H13276.4°85.2°
C10N12C14C15176.0°179.0°
C10N12C14C1756.7°61.5°
C10N12C14H1461.4°59.6°
N12C13C16H131120.0°118.8°
N12C13C16H132120.0°118.9°
N12C13H131H132123.0°122.4°
C13N12C14C157.0°1.3°
C13N12C14C17112.3°118.1°
C13N12C14H14129.7°120.8°
N12C13C16C1537.4°37.2°
N12C13C16H16182.6°81.0°
N12C13C16H162157.4°155.1°
C14N12C13C1628.1°24.5°
C14N12C13H131148.1°143.2°
C14N12C13H13291.9°94.4°
N12C14C15C17119.6°119.5°
N12C14C15H14122.4°119.4°
N12C14C17H14122.7°121.1°
N12C14C15C1616.4°22.0°
N12C14C15H151103.6°96.2°
N12C14C15H152136.4°140.5°
N12C14C17O1851.5°0.0°
N12C14C17N19127.9°180.0°
C16C13H131H132123.1°122.3°
C13C16C15C1434.1°35.5°
C13C16C15H161120.0°118.2°
C13C16C15H162120.0°118.0°
C13C16C15H15185.9°82.8°
C13C16C15H152154.1°153.9°
C13C16H161H162122.0°123.9°
H131C13C16C15157.3°156.0°
H131C13C16H16137.3°37.8°
H131C13C16H16282.6°86.1°
H132C13C16C1582.6°81.7°
H132C13C16H161157.4°160.1°
H132C13C16H16237.4°36.2°
C15C14C17H14123.0°121.1°
C14C15C16H151120.0°118.3°
C14C15C16H152120.0°118.4°
C14C15H151H152121.9°123.3°
C14C15C16H16185.9°82.7°
C14C15C16H162154.1°153.5°
C15C14C17O1862.9°117.8°
C15C14C17N19117.8°62.2°
C17C14C15C16136.0°141.5°
C17C14C15H15116.0°23.3°
C17C14C15H152104.0°100.0°
C14C17O18N19179.3°180.0°
C14C17N19C20179.0°180.0°
C14C17N19H191.0°0.0°
H14C14C15C16105.9°97.4°
H14C14C15H151134.0°144.4°
H14C14C15H15214.0°21.1°
H14C14C17O18174.2°121.1°
H14C14C17N195.2°58.9°
C16C15H151H152121.9°123.3°
C15C16H161H162122.0°123.8°
H151C15C16H161154.1°159.0°
H151C15C16H16234.1°35.2°
H152C15C16H16134.1°35.7°
H152C15C16H16285.9°88.1°
O18C17N19C200.3°0.0°
O18C17N19H19179.7°180.0°
C17N19C20H19180.0°180.0°
C17N19C20C30147.2°180.0°
C17N19C20H20192.8°59.9°
C17N19C20H20227.2°60.0°
N19C20C30H201120.0°120.1°
N19C20C30H202120.0°119.9°
N19C20H201H202119.0°119.9°
N19C20C30N27100.6°NaN°
N19C20C30H30119.4°59.9°
N19C20C30H302139.4°60.1°
H19N19C20C3032.9°0.1°
H19N19C20H20187.2°120.0°
H19N19C20H202152.9°120.0°
C30C20H201H202119.0°120.0°
C20C30N27H301120.0°120.1°
C20C30N27H302120.0°120.0°
C20C30H301H302120.6°120.0°
C20C30N27C21168.6°180.0°
C20C30N27H2771.4°0.1°
H201C20C30N27139.4°59.9°
H201C20C30H301100.6°180.0°
H201C20C30H30219.4°60.0°
H202C20C30N2719.4°60.1°
H202C20C30H301139.4°60.0°
H202C20C30H302100.6°NaN°
N27C30H301H302120.6°119.9°
C30N27C21H27120.0°180.0°
C30N27C21C22172.9°180.0°
C30N27C21C269.9°0.3°
H301C30N27C2148.6°60.0°
H301C30N27H27168.5°120.0°
H302C30N27C2171.4°60.0°
H302C30N27H2748.6°120.0°
N27C21C22C26177.5°179.7°
N27C21C22C23178.0°180.0°
N27C21C22H222.0°0.1°
N27C21C26C25177.7°179.7°
N27C21C26H262.3°0.0°
H27N27C21C2252.9°0.0°
H27N27C21C26129.8°179.7°
C21C22C23H22180.0°179.9°
C21C22C23N240.8°0.0°
C21C22C23H23179.2°180.0°
C22C21C26C250.5°0.6°
C22C21C26H26179.5°179.7°
C26C21C22C230.5°0.3°
C26C21C22H22179.4°179.7°
C21C26C25N240.7°0.6°
C21C26C25H26180.0°179.7°
C21C26C25H25179.3°179.7°
C22C23N24H23180.0°180.0°
C22C23N24C250.9°0.0°
H22C22C23N24179.2°180.0°
H22C22C23H230.8°0.1°
C23N24C25C260.9°0.3°
C23N24C25H25179.1°180.0°
H23C23N24C25179.1°180.0°
N24C25C26H25180.0°179.7°
N24C25C26H26179.3°179.7°
H25C25C26H260.7°0.0°

222415

PDB entries from 2024-07-10

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