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RR8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S1N4sing1.66Å1.71Å
S1O17doub1.42Å1.50Å
S1O18doub1.42Å1.48Å
S1C29sing1.81Å1.75Å
C2C3sing1.55Å1.53Å
C2C5sing1.51Å1.51Å
C2C9sing1.54Å1.53Å
C3C7sing1.51Å1.51Å
C3C8sing1.55Å1.53Å
N4C8sing1.47Å1.45Å
N4C9sing1.47Å1.44Å
C5N12sing1.35Å1.26Å
C5O20doub1.21Å1.27Å
N6C10sing1.35Å1.44Å
N6C11sing1.40Å1.40Å
N6C19sing1.36Å1.45Å
C7N14sing1.35Å1.39Å
C7O21doub1.21Å1.22Å
C10C22sing1.40Å1.42Å
C10O23doub1.22Å1.26Å
C11C13sing1.39Å1.37ÅAromatic
C11C24doub1.39Å1.39ÅAromatic
N12C15sing1.40Å1.46Å
C13C16doub1.38Å1.40ÅAromatic
N14C28sing1.40Å1.45Å
C15C16sing1.39Å1.41ÅAromatic
C15C25doub1.39Å1.39ÅAromatic
C16F30sing1.35Å1.36Å
C19C26doub1.35Å1.37Å
C22C27doub1.36Å1.36Å
C24C25sing1.38Å1.41ÅAromatic
C26C27sing1.40Å1.44Å
C28C33doub1.39Å1.40ÅAromatic
C28C34sing1.39Å1.39ÅAromatic
C31CL3sing1.74Å1.71Å
C31C35sing1.38Å1.42ÅAromatic
C31C36doub1.38Å1.36ÅAromatic
C33C36sing1.38Å1.39ÅAromatic
C34C35doub1.38Å1.39ÅAromatic
C29H291sing1.09Å1.10Å
C29H292sing1.09Å1.10Å
C29H293sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C9H91Csing1.09Å1.10Å
C9H92Csing1.09Å1.10Å
C8H81Csing1.09Å1.10Å
C8H82Csing1.09Å1.10Å
N12H12sing0.97Å1.00Å
C19H19sing1.08Å1.08Å
N14H14sing0.97Å1.00Å
C22H22sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C33H33sing1.08Å1.08Å
C34H34sing1.08Å1.08Å
C35H35sing1.08Å1.08Å
C36H36sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N4S1O17106.7°104.3°
N4S1O18107.8°104.3°
N4S1C29102.4°104.4°
S1N4C8115.9°125.6°
S1N4C9119.2°125.6°
O17S1O18117.3°121.1°
O17S1C29108.3°110.5°
O18S1C29113.0°110.5°
S1C29H291109.5°109.5°
S1C29H292109.4°109.5°
S1C29H293109.5°109.5°
C3C2C5118.7°110.7°
C3C2C9103.6°103.0°
C2C3C7107.0°111.0°
C2C3C8103.6°101.6°
C3C2H2108.1°110.7°
C2C3H3115.4°111.0°
C5C2C9111.5°110.7°
C2C5N12119.4°120.0°
C2C5O20122.0°120.0°
C5C2H299.7°110.6°
C2C9N498.3°107.2°
C9C2H2115.8°110.8°
C2C9H91C113.4°109.9°
C2C9H92C115.6°109.9°
C7C3C8111.6°111.0°
C3C7N14118.2°120.0°
C3C7O21120.8°120.0°
C7C3H3108.0°110.9°
C3C8N4103.8°104.8°
C8C3H3111.1°111.0°
C3C8H81C111.4°110.4°
C3C8H82C112.6°110.4°
C8N4C9111.6°108.7°
N4C8H81C111.4°110.4°
N4C8H82C112.6°110.3°
N4C9H91C113.4°109.9°
N4C9H92C115.7°109.9°
N12C5O20118.5°120.0°
C5N12C15126.3°120.0°
C5N12H12116.9°120.0°
C10N6C11117.5°119.6°
C10N6C19122.9°120.7°
N6C10C22116.6°120.0°
N6C10O23118.1°119.9°
C11N6C19119.5°119.7°
N6C11C13117.1°119.9°
N6C11C24117.6°120.0°
N6C19C26117.4°120.7°
N6C19H19121.3°119.6°
N14C7O21119.9°120.0°
C7N14C28127.6°120.0°
C7N14H14116.2°120.1°
C22C10O23124.6°120.0°
C10C22C27120.3°119.4°
C10C22H22119.8°120.3°
C13C11C24125.3°120.0°
C11C13C16114.2°119.9°
C11C13H13122.9°120.0°
C11C24C25119.5°120.0°
C11C24H24120.3°120.0°
N12C15C16121.7°120.1°
N12C15C25117.8°120.0°
C15N12H12116.9°119.9°
C13C16C15123.2°120.0°
C13C16F30116.1°120.0°
C16C13H13122.9°120.0°
N14C28C33117.6°120.1°
N14C28C34120.8°120.1°
C28N14H14116.2°120.0°
C16C15C25120.4°119.9°
C15C16F30120.8°120.0°
C15C25C24117.3°120.0°
C15C25H25121.3°120.0°
C19C26C27119.9°119.9°
C26C19H19121.3°119.7°
C19C26H26120.0°120.0°
C22C27C26122.7°119.3°
C27C22H22119.9°120.3°
C22C27H27118.7°120.4°
C25C24H24120.2°120.0°
C24C25H25121.3°120.0°
C27C26H26120.1°120.1°
C26C27H27118.6°120.4°
C33C28C34121.6°119.9°
C28C33C36119.9°120.0°
C28C33H33120.1°120.0°
C28C34C35119.0°119.9°
C28C34H34120.5°120.0°
CL3C31C35118.7°119.9°
CL3C31C36117.5°120.0°
C35C31C36123.5°120.1°
C31C35C34117.6°120.1°
C31C35H35121.2°120.0°
C31C36C33118.3°120.1°
C31C36H36120.8°120.0°
C36C33H33120.1°120.0°
C33C36H36120.8°119.9°
C35C34H34120.5°120.0°
C34C35H35121.2°119.9°
H291C29H292109.5°109.5°
H291C29H293109.5°109.4°
H292C29H293109.5°109.5°
H91CC9H92C101.2°110.0°
H81CC8H82C105.1°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N4S1O17O18121.0°116.8°
N4S1O17C29109.6°111.7°
N4S1O18C29112.5°111.7°
S1N4C9C2178.8°178.9°
S1N4C8C3160.9°155.8°
S1N4C8C9140.9°179.9°
N4S1C29H29178.2°59.9°
N4S1C29H292161.8°180.0°
N4S1C29H29341.8°60.0°
S1N4C9H91C61.1°61.7°
S1N4C9H92C55.1°59.5°
S1N4C8H81C40.9°36.9°
S1N4C8H82C77.0°85.4°
O17S1O18C29127.2°131.5°
O17S1N4C842.5°153.9°
O17S1N4C9179.7°26.0°
O17S1C29H29134.3°51.7°
O17S1C29H29285.7°68.4°
O17S1C29H293154.3°171.6°
O18S1N4C8169.4°26.0°
O18S1N4C952.8°153.9°
O18S1C29H291166.1°171.6°
O18S1C29H29246.1°68.4°
O18S1C29H29373.9°51.6°
C29S1N4C871.2°90.1°
C29S1N4C966.6°90.0°
S1C29H291H292120.0°120.0°
S1C29H291H293120.0°120.0°
S1C29H292H293120.0°120.0°
C3C2C5C9120.2°113.5°
C3C2C5H2116.9°123.2°
C3C2C9H2118.2°118.5°
C2C3C7C8112.7°112.2°
C2C3C7H3124.8°123.9°
C2C3C8H3124.6°118.1°
C2C3C8N48.6°37.0°
C3C2C9N442.4°22.2°
C3C2C5N1224.4°180.0°
C3C2C5O20158.1°0.0°
C2C3C7N14178.8°180.0°
C2C3C7O2110.6°0.0°
C3C2C9H91C162.4°141.6°
C3C2C9H92C81.4°97.2°
C2C3C8H81C128.6°155.9°
C2C3C8H82C113.5°81.8°
C5C2C9H2113.0°123.2°
C5C2C3C785.7°88.1°
C5C2C3C8156.2°153.9°
C5C2C9N4171.1°140.6°
C2C5N12O20177.6°180.0°
C2C5N12C15179.5°174.7°
C5C2C3H334.5°35.8°
C5C2C9H91C68.9°100.0°
C5C2C9H92C47.4°21.2°
C2C5N12H120.5°5.3°
C9C2C3C7150.1°153.6°
C9C2C3C832.0°35.5°
C2C9N4C839.3°1.0°
C2C9N4H91C120.0°119.4°
C2C9N4H92C123.7°119.4°
C9C2C5N12144.7°66.5°
C9C2C5O2037.8°113.5°
C9C2C3H389.7°82.6°
C2C9H91CH92C124.5°121.1°
C7C3C8H3120.6°123.9°
C7C3C8N4123.4°155.1°
C3C7N14O21168.3°179.9°
C3C7N14C28168.7°175.0°
C7C3C2H226.7°35.0°
C7C3C8H81C116.6°86.1°
C7C3C8H82C1.3°36.3°
C3C7N14H1411.3°4.9°
C3C8N4H81C120.0°118.9°
C3C8N4H82C122.1°118.8°
C3C8N4C920.0°24.1°
C8C3C7N1468.5°67.8°
C8C3C7O21123.3°112.2°
C8C3C2H291.4°83.0°
C3C8H81CH82C122.3°122.4°
N4C8C3H3116.0°81.1°
C8N4C9H91C159.3°118.4°
C8N4C9H92C84.4°120.4°
N4C8H81CH82C122.3°122.2°
N4C9C2H275.9°96.3°
N4C9H91CH92C124.5°121.1°
C9N4C8H81C100.0°143.0°
C9N4C8H82C142.1°94.7°
C5N12C15H12180.0°180.0°
C5N12C15C1671.5°157.9°
C5N12C15C25113.0°21.8°
N12C5C2H292.5°56.8°
O20C5N12C151.9°5.3°
O20C5C2H285.0°123.2°
O20C5N12H12178.1°174.7°
C10N6C11C19176.8°179.8°
N6C10C22O23170.2°180.0°
C10N6C11C1378.3°93.4°
C10N6C11C24102.4°86.9°
C10N6C19C262.5°0.0°
N6C10C22C275.7°0.0°
C10N6C19H19177.5°180.0°
N6C10C22H22174.3°180.0°
C11N6C10C22178.3°180.0°
C11N6C10O237.4°0.1°
N6C11C13C24179.2°179.7°
N6C11C13C16177.3°180.0°
C11N6C19C26179.1°179.8°
N6C11C24C25176.9°180.0°
C11N6C19H190.9°0.2°
N6C11C13H132.7°0.0°
N6C11C24H243.2°0.0°
C19N6C10C225.1°0.3°
C19N6C10O23176.0°179.7°
C19N6C11C13104.9°86.4°
C19N6C11C2474.4°93.3°
N6C19C26H19180.0°180.0°
N6C19C26C270.4°0.5°
N6C19C26H26179.6°180.0°
C7N14C28H14180.0°179.9°
C7N14C28C33171.0°36.0°
C7N14C28C347.4°144.3°
N14C7C3H354.0°56.1°
O21C7N14C280.3°5.0°
O21C7C3H3114.3°123.9°
O21C7N14H14179.7°175.0°
C10C22C27H22180.0°179.9°
C10C22C27C264.0°0.5°
C10C22C27H27176.0°180.0°
O23C10C22C27176.0°180.0°
O23C10C22H224.1°0.0°
C11C13C16H13180.0°180.0°
C11C13C16C150.5°0.0°
C11C13C16F30179.3°179.9°
C13C11C24C252.3°0.3°
C13C11C24H24177.6°179.7°
C24C11C13C161.9°0.3°
C11C24C25C150.3°0.0°
C11C24C25H24180.0°180.0°
C24C11C13H13178.1°179.7°
C11C24C25H25179.7°179.7°
N12C15C16C13173.0°180.0°
N12C15C16C25175.4°179.7°
N12C15C16F305.7°0.1°
N12C15C25C24173.7°180.0°
N12C15C25H256.3°0.3°
C13C16C15F30178.7°179.9°
C13C16C15C252.4°0.3°
N14C28C33C34178.4°179.7°
N14C28C33C36177.1°180.0°
N14C28C34C35177.8°180.0°
N14C28C33H332.9°0.0°
N14C28C34H342.2°0.1°
C16C15C25C241.9°0.3°
C16C15N12H12108.5°22.0°
C15C16C13H13179.5°180.0°
C16C15C25H25178.2°180.0°
C25C15C16F30178.9°179.8°
C15C25C24H25180.0°179.8°
C25C15N12H1267.0°158.3°
C15C25C24H24179.6°180.0°
F30C16C13H130.7°0.1°
C19C26C27C221.2°0.8°
C19C26C27H26180.0°179.5°
C19C26C27H27178.8°179.7°
C22C27C26H27180.0°179.5°
C22C27C26H26178.8°179.7°
C27C26C19H19179.6°179.5°
C26C27C22H22176.0°179.4°
C28C33C36C310.4°0.0°
C28C33C36H33180.0°180.0°
C33C28C34C350.6°0.2°
C33C28N14H148.9°144.1°
C33C28C34H34179.4°179.8°
C28C33C36H36179.6°179.7°
C28C34C35C311.6°0.0°
C34C28C33C361.3°0.2°
C28C34C35H34180.0°180.0°
C34C28N14H14172.6°35.7°
C34C28C33H33178.7°179.8°
C28C34C35H35178.4°179.8°
CL3C31C35C36174.3°179.8°
CL3C31C36C33171.6°180.0°
CL3C31C35C34170.9°180.0°
CL3C31C35H359.1°0.2°
CL3C31C36H368.4°0.2°
C35C31C36C332.8°0.2°
C31C35C34H35180.0°179.8°
C31C35C34H34178.4°180.0°
C35C31C36H36177.2°180.0°
C31C36C33H36180.0°179.8°
C36C31C35C343.5°0.2°
C31C36C33H33179.6°180.0°
C36C31C35H35176.5°180.0°
H291C29H292H293120.0°119.9°
H2C2C3H3146.8°158.9°
H2C2C9H91C44.2°23.1°
H2C2C9H92C160.4°144.3°
H3C3C8H81C4.0°37.8°
H3C3C8H82C121.9°160.2°
H19C19C26H260.4°0.1°
H22C22C27H274.0°0.1°
H24C24C25H250.4°0.3°
H26C26C27H271.2°0.2°
H33C33C36H360.4°0.3°
H34C34C35H351.6°0.2°

220760

PDB entries from 2024-06-05

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