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1CD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C6sing1.53Å1.53Å
C1H11Asing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C1H13Asing1.09Å1.10Å
N2C3sing1.47Å1.49Å
N2C6sing1.47Å1.49Å
N2C30sing1.47Å1.48Å
C3C4sing1.52Å1.53Å
C3H31sing1.09Å1.10Å
C3H32sing1.10Å1.10Å
C4C5sing1.53Å1.52Å
C4O12sing1.44Å1.43Å
C4H4sing1.09Å1.10Å
C5C6sing1.54Å1.53Å
C5H51sing1.10Å1.10Å
C5H52sing1.10Å1.10Å
C6H6sing1.10Å1.10Å
C7C8sing1.40Å1.46ÅAromatic
C7C9doub1.39Å1.48ÅAromatic
C7N10sing1.40Å1.38ÅAromatic
C8C11doub1.40Å1.47ÅAromatic
C8O12sing1.37Å1.39Å
C9C13sing1.40Å1.46ÅAromatic
C9N14sing1.40Å1.37ÅAromatic
N10C15doub1.30Å1.39ÅAromatic
C11C16sing1.40Å1.46ÅAromatic
C11H11sing1.09Å1.08Å
C13C16doub1.39Å1.48ÅAromatic
C13H13sing1.09Å1.08Å
N14C17sing1.38Å1.42ÅAromatic
N14H14sing1.02Å1.00Å
C15C17sing1.52Å1.55ÅAromatic
C15C18sing1.49Å1.50ÅAromatic
C16H16sing1.09Å1.08Å
C17O19doub1.22Å1.23Å
C18C20doub1.39Å1.55ÅAromatic
C18C21sing1.40Å1.46ÅAromatic
C20C22sing1.39Å1.49ÅAromatic
C20N23sing1.39Å1.37ÅAromatic
C21C24doub1.41Å1.45ÅAromatic
C21H21sing1.09Å1.08Å
C22C25sing1.47Å1.47ÅAromatic
C22C26doub1.38Å1.47ÅAromatic
N23N27sing1.38Å1.37ÅAromatic
N23H23sing1.01Å1.00Å
C24C26sing1.40Å1.47ÅAromatic
C24H24sing1.09Å1.08Å
C25N27sing1.39Å1.38ÅAromatic
C25O29doub1.22Å1.23Å
C26H26sing1.08Å1.08Å
N27C28sing1.45Å1.47Å
C28C30sing1.54Å1.53Å
C28H281sing1.10Å1.10Å
C28H282sing1.10Å1.10Å
C30H301sing1.10Å1.10Å
C30H302sing1.10Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C1H11A109.5°110.5°
C6C1H12109.5°110.5°
C6C1H13A109.5°110.5°
C1C6N2110.8°111.0°
C1C6C5111.7°110.2°
C1C6H6103.7°109.2°
H11AC1H12109.5°108.4°
H11AC1H13A109.5°108.4°
H12C1H13A109.5°108.4°
C3N2C6109.7°107.8°
C3N2C30122.9°112.4°
N2C3C4104.9°102.6°
N2C3H31112.0°110.8°
N2C3H32111.1°111.1°
C6N2C30117.3°116.2°
N2C6C595.8°104.9°
N2C6H6117.9°112.4°
N2C30C28113.5°114.1°
N2C30H301107.2°110.7°
N2C30H302108.1°109.1°
C4C3H31112.0°112.7°
C4C3H32111.0°110.2°
C3C4C589.2°101.2°
C3C4O12110.0°111.7°
C3C4H4122.1°113.1°
H31C3H32106.0°109.2°
C5C4O12112.1°107.8°
C5C4H4120.4°110.4°
C4C5C6112.1°105.0°
C4C5H51108.0°109.2°
C4C5H52108.6°112.3°
O12C4H4102.9°112.1°
C4O12C8120.8°115.3°
C6C5H51108.0°108.9°
C6C5H52108.6°112.7°
C5C6H6117.1°108.9°
H51C5H52111.6°108.6°
C8C7C9120.1°119.0°
C8C7N10117.0°119.8°
C7C8C11121.9°120.4°
C7C8O12109.9°117.5°
C9C7N10122.9°121.1°
C7C9C13117.4°121.0°
C7C9N14112.0°118.8°
C7N10C15128.2°120.7°
C11C8O12128.1°122.0°
C8C11C16118.9°119.8°
C8C11H11120.6°121.2°
C13C9N14130.5°120.2°
C9C13C16123.1°119.5°
C9C13H13118.4°120.9°
C9N14C17126.7°122.5°
C9N14H14116.6°118.5°
N10C15C17109.4°121.5°
N10C15C18119.7°117.9°
C16C11H11120.5°119.0°
C11C16C13118.6°120.3°
C11C16H16120.7°119.8°
C16C13H13118.4°119.5°
C13C16H16120.7°119.9°
C17N14H14116.7°119.0°
N14C17C15120.7°115.3°
N14C17O19122.3°124.7°
C17C15C18129.5°120.5°
C15C17O19117.0°120.0°
C15C18C20119.8°119.4°
C15C18C21118.9°122.4°
C20C18C21120.2°118.1°
C18C20C22119.4°120.4°
C18C20N23137.2°128.6°
C18C21C24117.9°120.4°
C18C21H21121.1°121.2°
C22C20N23103.3°110.8°
C20C22C25103.9°105.6°
C20C22C26118.5°123.0°
C20N23N27117.4°106.8°
C20N23H23106.9°122.8°
C24C21H21121.0°118.4°
C21C24C26123.7°121.2°
C21C24H24118.2°119.2°
C25C22C26137.6°131.4°
C22C25N27111.5°105.9°
C22C25O29124.0°124.4°
C22C26C24120.3°116.8°
C22C26H26119.8°122.1°
N27N23H23106.9°121.4°
N23N27C25103.8°110.9°
N23N27C28129.5°120.4°
C26C24H24118.2°119.5°
C24C26H26119.8°121.1°
N27C25O29124.5°129.7°
C25N27C28126.7°127.7°
N27C28C30111.9°116.3°
N27C28H281108.1°106.7°
N27C28H282108.7°107.1°
C30C28H281108.1°109.6°
C30C28H282108.7°110.6°
C28C30H301107.2°109.7°
C28C30H302108.1°106.7°
H281C28H282111.4°106.0°
H301C30H302112.7°106.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C1H11AH12120.0°121.3°
C6C1H11AH13A120.0°121.3°
C6C1H12H13A120.0°121.3°
C1C6N2C3117.7°135.7°
C1C6N2C5115.8°119.1°
C1C6N2H6119.3°122.7°
C1C6N2C3095.8°97.2°
C1C6C5C482.3°108.9°
C1C6C5H6119.4°119.8°
C1C6C5H5136.5°134.3°
C1C6C5H52157.7°13.8°
H11AC1H12H13A120.0°117.4°
H11AC1C6N277.4°78.8°
H11AC1C6C528.1°37.1°
H11AC1C6H6155.1°156.7°
H12C1C6N2162.6°41.2°
H12C1C6C591.9°157.1°
H12C1C6H635.1°83.3°
H13AC1C6N242.6°161.2°
H13AC1C6C5148.1°82.9°
H13AC1C6H684.9°36.7°
C3N2C6C30146.5°127.1°
N2C3C4H31121.7°119.3°
N2C3C4H32120.0°118.4°
N2C3H31H32121.3°122.7°
N2C3C4C547.2°42.6°
N2C3C4O1266.0°71.8°
N2C3C4H4173.3°160.7°
C3N2C6C51.9°16.6°
C3N2C6H6123.1°101.6°
C3N2C30C2887.3°157.3°
C3N2C30H301154.5°78.3°
C3N2C30H30232.7°38.1°
C6N2C3C434.3°37.6°
C6N2C3H31156.0°158.2°
C6N2C3H3285.7°80.2°
N2C6C5C432.8°10.8°
N2C6C5H6125.5°120.6°
N2C6C5H51151.6°106.1°
N2C6C5H5287.2°133.4°
C6N2C30C28131.0°77.9°
C6N2C30H30112.7°46.4°
C6N2C30H302109.1°162.9°
C30N2C3C4178.5°166.9°
C30N2C3H3159.8°72.5°
C30N2C3H3258.5°49.1°
C30N2C6C5148.4°143.8°
C30N2C6H623.4°25.5°
N2C30C28N2755.8°57.0°
N2C30C28H301118.2°124.9°
N2C30C28H302120.0°120.5°
N2C30C28H28163.2°178.1°
N2C30C28H282175.8°65.4°
N2C30H301H302118.9°118.3°
C4C3H31H32121.2°122.9°
C3C4C5O12111.4°117.4°
C3C4C5H4127.5°120.0°
C3C4O12H4131.6°128.1°
C3C4C5C650.6°32.6°
C3C4C5H51169.5°84.1°
C3C4C5H5269.4°155.4°
C3C4O12C8175.0°79.2°
H31C3C4C5168.9°161.9°
H31C3C4O1255.7°47.5°
H31C3C4H465.0°80.1°
H32C3C4C572.8°75.8°
H32C3C4O12173.9°169.8°
H32C3C4H453.3°42.2°
C5C4O12H4130.8°121.6°
C4C5C6H51118.9°116.9°
C4C5C6H52120.0°122.6°
C4C5H51H52119.2°122.8°
C4C5C6H6158.3°131.3°
C5C4O12C887.4°170.5°
O12C4C5C660.7°84.8°
O12C4C5H5158.1°158.6°
O12C4C5H52179.3°38.0°
C4O12C8C7165.8°126.2°
C4O12C8C1116.1°58.2°
H4C4C5C6178.1°152.5°
H4C4C5H5163.0°35.9°
H4C4C5H5258.1°84.6°
H4C4O12C843.4°48.9°
C6C5H51H52119.3°123.0°
H51C5C6H682.9°14.5°
H52C5C6H638.3°106.1°
C8C7C9N10178.5°178.4°
C7C8C11O12177.9°175.4°
C8C7C9C130.7°1.3°
C8C7C9N14179.7°177.9°
C8C7N10C15178.1°176.4°
C7C8C11C160.8°1.7°
C7C8C11H11179.3°177.0°
C9C7C8C111.2°2.1°
C9C7C8O12177.0°177.8°
C7C9C13N14178.8°179.2°
C9C7N10C150.4°2.0°
C7C9C13C160.3°0.1°
C7C9C13H13179.7°179.8°
C7C9N14C171.1°1.6°
C7C9N14H14178.9°179.5°
N10C7C8C11177.4°179.5°
N10C7C8O124.4°3.8°
N10C7C9C13177.8°179.7°
N10C7C9N141.2°0.5°
C7N10C15C171.8°1.4°
C7N10C15C18166.0°176.8°
C8C11C16H11180.0°178.8°
C8C11C16C130.2°0.5°
C8C11C16H16179.8°179.9°
O12C8C11C16177.1°177.1°
O12C8C11H112.9°1.6°
C9C13C16C110.7°0.3°
C9C13C16H13180.0°180.0°
C13C9N14C17177.8°177.6°
C13C9N14H142.2°0.3°
C9C13C16H16179.3°179.3°
N14C9C13C16178.6°179.1°
N14C9C13H131.4°1.0°
C9N14C17H14180.0°177.9°
C9N14C17C150.4°2.1°
C9N14C17O19179.1°176.5°
N10C15C17N141.8°0.6°
N10C15C17C18166.3°178.1°
N10C15C17O19177.7°178.1°
N10C15C18C2011.7°39.2°
N10C15C18C21156.8°137.5°
C11C16C13H16180.0°179.6°
C11C16C13H13179.3°179.7°
H11C11C16C13179.8°178.3°
H11C11C16H160.2°1.3°
H13C13C16H160.7°0.6°
N14C17C15O19179.5°178.7°
N14C17C15C18164.5°178.7°
H14N14C17C15179.6°180.0°
H14N14C17O190.9°1.4°
C17C15C18C20176.8°139.0°
C17C15C18C218.4°44.3°
C18C15C17O1915.9°0.1°
C15C18C20C21168.3°176.9°
C15C18C20C22166.2°174.9°
C15C18C20N239.9°0.2°
C15C18C21C24167.0°176.4°
C15C18C21H2113.0°1.5°
C18C20C22N23177.3°175.5°
C20C18C21C241.4°0.4°
C20C18C21H21178.6°178.3°
C18C20C22C25176.3°176.6°
C18C20C22C261.3°2.4°
C18C20N23N27175.2°176.8°
C18C20N23H2364.7°35.8°
C21C18C20C222.1°2.0°
C21C18C20N23178.2°176.6°
C18C21C24H21180.0°178.0°
C18C21C24C260.1°0.9°
C18C21C24H24179.9°179.6°
C20C22C25C26176.9°179.0°
C22C20N23N271.3°1.8°
C22C20N23H23118.7°149.2°
C20C22C26C240.0°1.1°
C20C22C25N270.5°0.1°
C20C22C25O29179.3°178.4°
C20C22C26H26179.9°179.7°
N23C20C22C251.0°1.1°
N23C20C22C26178.6°177.9°
C20N23N27H23120.0°148.0°
C20N23N27C251.0°1.7°
C20N23N27C28178.6°171.1°
C21C24C26C220.6°0.6°
C21C24C26H24180.0°178.7°
C21C24C26H26179.4°178.6°
H21C21C24C26179.9°177.1°
H21C21C24H240.1°1.6°
C22C25N27N230.2°1.0°
C25C22C26C24176.5°177.7°
C22C25N27O29179.8°178.2°
C25C22C26H263.5°1.4°
C22C25N27C28179.4°169.5°
C22C26C24H26180.0°179.2°
C22C26C24H24179.4°179.2°
C26C22C25N27177.4°178.9°
C26C22C25O292.4°0.6°
N23N27C25C28179.6°168.4°
N23N27C25O29180.0°177.2°
N23N27C28C3070.8°8.8°
N23N27C28H28148.2°131.5°
N23N27C28H282169.2°115.4°
H23N23N27C25119.0°149.7°
H23N23N27C2861.4°40.9°
H24C24C26H260.6°0.1°
C25N27C28C30108.7°176.3°
C25N27C28H281132.3°61.0°
C25N27C28H28211.3°52.1°
O29C25N27C280.4°8.8°
N27C28C30H281119.0°121.1°
N27C28C30H282120.0°122.4°
N27C28H281H282119.3°113.9°
N27C28C30H30162.5°178.1°
N27C28C30H302175.7°63.5°
C30C28H281H282119.3°119.4°
C28C30H301H302118.9°114.9°
H281C28C30H301178.6°57.0°
H281C28C30H30256.8°57.6°
H282C28C30H30157.5°59.5°
H282C28C30H30264.3°174.1°

222415

PDB entries from 2024-07-10

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