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EP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13S1sing1.79Å1.79ÅAromatic
C13C12doub1.34Å1.34ÅAromatic
C13H13sing1.10Å1.10Å
S1C15sing1.77Å1.77ÅAromatic
C15C16sing1.50Å1.50Å
C15N20doub1.26Å1.26ÅAromatic
C16H161sing1.12Å1.12Å
C16H162sing1.11Å1.11Å
C16H163sing1.11Å1.11Å
N20C12sing1.44Å1.44ÅAromatic
C12C10sing1.47Å1.47Å
C10C5doub1.34Å1.34Å
C10H10sing1.10Å1.10Å
C5C6sing1.52Å1.52Å
C5C3sing1.52Å1.52Å
C6H61sing1.11Å1.11Å
C6H62sing1.12Å1.12Å
C6H63sing1.12Å1.12Å
C3C21sing1.55Å1.55Å
C3O2sing1.44Å1.44Å
C3H3sing1.11Å1.11Å
C21C24sing1.55Å1.55Å
C21H211sing1.11Å1.11Å
C21H212sing1.12Å1.12Å
C24O26sing1.40Å1.40Å
C24C27sing1.60Å1.60Å
C24H24sing1.11Å1.11Å
O26C27sing1.40Å1.40Å
C27C32sing1.55Å1.55Å
C27H27sing1.11Å1.11Å
C32C35sing1.56Å1.56Å
C32H321sing1.11Å1.11Å
C32H322sing1.11Å1.11Å
C35C38sing1.56Å1.56Å
C35H351sing1.11Å1.11Å
C35H352sing1.12Å1.12Å
C38C41sing1.57Å1.57Å
C38H381sing1.12Å1.12Å
C38H382sing1.11Å1.11Å
C41C43sing1.55Å1.55Å
C41C47sing1.57Å1.57Å
C41H41sing1.11Å1.11Å
C43H431sing1.11Å1.11Å
C43H432sing1.12Å1.12Å
C43H433sing1.11Å1.11Å
C47O49sing1.44Å1.44Å
C47C51sing1.57Å1.57Å
C47H47sing1.12Å1.12Å
O49H49sing0.95Å0.95Å
C51C53sing1.56Å1.56Å
C51C57sing1.52Å1.52Å
C51H51sing1.12Å1.12Å
C53H531sing1.12Å1.12Å
C53H532sing1.11Å1.11Å
C53H533sing1.11Å1.11Å
C57O58doub1.22Å1.22Å
C57C59sing1.53Å1.53Å
C59C64sing1.55Å1.55Å
C59C60sing1.56Å1.56Å
C59C68sing1.57Å1.57Å
C64H641sing1.11Å1.11Å
C64H642sing1.11Å1.11Å
C64H643sing1.12Å1.12Å
C60H601sing1.11Å1.11Å
C60H602sing1.12Å1.12Å
C60H603sing1.11Å1.11Å
C68O70sing1.44Å1.44Å
C68C72sing1.56Å1.56Å
C68H68sing1.11Å1.11Å
O70H70sing0.95Å0.95Å
C72C75sing1.51Å1.51Å
C72H721sing1.11Å1.11Å
C72H722sing1.12Å1.12Å
C75O2sing1.34Å1.34Å
C75O76doub1.22Å1.22Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
S1C13C12114.3°114.3°
S1C13H13135.4°135.4°
C13S1C1586.2°86.2°
C12C13H13110.2°110.2°
C13C12N20108.8°108.8°
C13C12C10127.4°127.4°
S1C15C16122.8°122.8°
S1C15N20114.1°114.1°
C16C15N20123.1°123.1°
C15C16H161122.8°122.8°
C15C16H162107.5°107.5°
C15C16H163107.5°107.5°
C15N20C12116.4°116.4°
H161C16H162107.4°107.4°
H161C16H163107.5°107.5°
H162C16H163102.3°102.3°
N20C12C10123.8°123.8°
C12C10C5123.4°123.4°
C12C10H10123.2°123.2°
C5C10H10113.4°113.4°
C10C5C6122.3°122.3°
C10C5C3122.3°122.3°
C6C5C3115.4°115.4°
C5C6H61122.3°122.3°
C5C6H62107.6°107.6°
C5C6H63107.6°107.6°
C5C3C21111.8°111.8°
C5C3O2115.4°115.4°
C5C3H3103.1°103.1°
H61C6H62107.7°107.7°
H61C6H63107.7°107.7°
H62C6H63102.1°102.1°
C21C3O2108.1°108.1°
C21C3H3111.1°111.1°
C3C21C24112.0°112.0°
C3C21H211111.3°111.3°
C3C21H212111.3°111.3°
O2C3H3107.1°107.1°
C3O2C75114.7°114.7°
C24C21H211111.2°111.2°
C24C21H212111.3°111.3°
C21C24O26111.6°111.6°
C21C24C27122.5°122.5°
C21C24H2493.6°93.6°
H211C21H21299.1°99.1°
O26C24C2755.3°55.3°
O26C24H24141.9°141.9°
C24O26C2769.5°69.5°
C27C24H24132.5°132.5°
C24C27O2655.1°55.1°
C24C27C32120.6°120.6°
C24C27H27134.4°134.4°
O26C27C32114.2°114.2°
O26C27H27139.9°139.9°
C32C27H2793.0°93.0°
C27C32C35114.5°114.5°
C27C32H321110.3°110.3°
C27C32H322110.3°110.3°
C35C32H321110.4°110.4°
C35C32H322110.4°110.4°
C32C35C38112.8°112.8°
C32C35H351111.0°111.0°
C32C35H352111.0°111.0°
H321C32H322100.0°100.0°
C38C35H351110.9°110.9°
C38C35H352110.9°110.9°
C35C38C41114.2°114.2°
C35C38H381110.5°110.5°
C35C38H382110.5°110.5°
H351C35H35299.4°99.4°
C41C38H381110.5°110.5°
C41C38H382110.5°110.5°
C38C41C43110.5°110.5°
C38C41C47115.4°115.4°
C38C41H41105.5°105.5°
H381C38H38299.8°99.8°
C43C41C47112.2°112.2°
C43C41H41109.1°109.1°
C41C43H431110.5°110.5°
C41C43H432111.8°111.8°
C41C43H433111.8°111.8°
C47C41H41103.4°103.4°
C41C47O49110.5°110.5°
C41C47C51117.3°117.3°
C41C47H47102.4°102.4°
H431C43H432111.8°111.8°
H431C43H433111.8°111.8°
H432C43H43398.6°98.6°
O49C47C51107.3°107.3°
O49C47H47113.5°113.5°
C47O49H49110.4°110.4°
C51C47H47105.9°105.9°
C47C51C53114.5°114.5°
C47C51C57107.8°107.8°
C47C51H51106.2°106.2°
C53C51C57106.0°106.0°
C53C51H51108.0°108.0°
C51C53H531114.5°114.5°
C51C53H532110.4°110.4°
C51C53H533110.4°110.4°
C57C51H51114.6°114.6°
C51C57O58118.1°118.1°
C51C57C59121.3°121.3°
H531C53H532110.4°110.4°
H531C53H533110.3°110.3°
H532C53H53399.9°99.9°
O58C57C59120.6°120.6°
C57C59C64113.1°113.1°
C57C59C60108.1°108.1°
C57C59C68108.9°108.9°
C64C59C60108.7°108.7°
C64C59C68108.7°108.7°
C59C64H641113.1°113.1°
C59C64H642110.9°110.9°
C59C64H643110.9°110.9°
C60C59C68109.2°109.2°
C59C60H601108.1°108.1°
C59C60H602112.7°112.7°
C59C60H603112.7°112.7°
C59C68O70107.4°107.4°
C59C68C72114.2°114.2°
C59C68H68108.2°108.2°
H641C64H642110.9°110.9°
H641C64H643110.8°110.8°
H642C64H64399.4°99.4°
H601C60H602112.7°112.7°
H601C60H603112.7°112.7°
H602C60H60397.7°97.7°
O70C68C72111.0°111.0°
O70C68H68111.6°111.6°
C68O70H70107.4°107.4°
C72C68H68104.5°104.5°
C68C72C75115.7°115.7°
C68C72H721109.9°109.9°
C68C72H722109.9°109.9°
C75C72H721109.9°109.9°
C75C72H722109.9°109.9°
C72C75O2116.1°116.1°
C72C75O76120.6°120.6°
H721C72H722100.3°100.3°
O2C75O76123.3°123.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S1C13C12H13180.0°180.0°
C13S1C15C16179.9°179.9°
C13S1C15N201.6°1.6°
S1C13C12N201.2°1.2°
S1C13C12C10177.9°177.9°
C12C13S1C150.1°0.1°
C13C12N20C152.5°2.5°
C13C12N20C10179.1°179.1°
C13C12C10C550.3°50.3°
C13C12C10H10129.7°129.7°
H13C13S1C15179.9°179.9°
H13C13C12N20178.8°178.8°
H13C13C12C102.1°2.1°
S1C15C16N20178.4°178.4°
S1C15C16H161180.0°180.0°
S1C15C16H16254.8°54.8°
S1C15C16H16354.7°54.7°
S1C15N20C122.7°2.7°
C15C16H161H162125.2°125.2°
C15C16H161H163125.3°125.3°
C15C16H162H163113.0°113.0°
C16C15N20C12178.8°178.8°
N20C15C16H1611.6°1.6°
N20C15C16H162123.6°123.6°
N20C15C16H163126.9°126.9°
C15N20C12C10176.6°176.6°
H161C16H162H163113.0°113.0°
N20C12C10C5128.6°128.6°
N20C12C10H1051.3°51.3°
C12C10C5H10180.0°180.0°
C12C10C5C63.2°3.2°
C12C10C5C3177.1°177.1°
C10C5C6C3179.7°179.7°
C10C5C6H61180.0°180.0°
C10C5C6H6254.7°54.7°
C10C5C6H6354.7°54.7°
C10C5C3C2190.4°90.4°
C10C5C3O233.7°33.7°
C10C5C3H3150.1°150.1°
H10C10C5C6176.8°176.8°
H10C10C5C33.0°3.0°
C5C6H61H62125.2°125.2°
C5C6H61H63125.3°125.3°
C5C6H62H63113.1°113.1°
C6C5C3C2189.3°89.3°
C6C5C3O2146.5°146.5°
C6C5C3H330.1°30.1°
C3C5C6H610.2°0.2°
C3C5C6H62125.0°125.0°
C3C5C6H63125.6°125.6°
C5C3C21O2128.1°128.1°
C5C3C21H3114.6°114.6°
C5C3O2H3114.1°114.1°
C5C3C21C2462.8°62.8°
C5C3C21H21162.4°62.4°
C5C3C21H212172.0°172.0°
C5C3O2C7559.6°59.6°
H61C6H62H63113.3°113.3°
C21C3O2H3119.9°119.9°
C3C21C24H211125.2°125.2°
C3C21C24H212125.2°125.2°
C3C21H211H212117.2°117.2°
C3C21C24O2669.6°69.6°
C3C21C24C27131.4°131.4°
C3C21C24H2481.2°81.2°
C21C3O2C75174.4°174.4°
O2C3C21C2465.3°65.3°
O2C3C21H211169.5°169.5°
O2C3C21H21259.9°59.9°
C3O2C75C72162.5°162.5°
C3O2C75O7615.5°15.5°
H3C3C21C24177.4°177.4°
H3C3C21H21152.2°52.2°
H3C3C21H21257.4°57.4°
H3C3O2C7554.5°54.5°
C24C21H211H212117.2°117.2°
C21C24O26C27115.4°115.4°
C21C24O26H24127.9°127.9°
C21C24C27H24133.2°133.2°
C21C24C27C324.6°4.6°
C21C24C27H27136.3°136.3°
H211C21C24O26165.1°165.1°
H211C21C24C27103.4°103.4°
H211C21C24H2444.1°44.1°
H212C21C24O2655.6°55.6°
H212C21C24C276.1°6.1°
H212C21C24H24153.6°153.6°
O26C24C27H24131.6°131.6°
O26C24C27C3299.7°99.7°
O26C24C27H27128.5°128.5°
C24C27C32H27147.7°147.7°
C24C27C32C3585.6°85.6°
C24C27C32H321149.1°149.1°
C24C27C32H32239.6°39.6°
H24C24C27C32128.7°128.7°
H24C24C27H273.1°3.1°
O26C27C32H27149.8°149.8°
O26C27C32C3523.1°23.1°
O26C27C32H321148.4°148.4°
O26C27C32H322102.1°102.1°
C27C32C35H321125.2°125.2°
C27C32C35H322125.2°125.2°
C27C32H321H322116.2°116.2°
C27C32C35C3868.0°68.0°
C27C32C35H351166.7°166.7°
C27C32C35H35257.2°57.2°
H27C27C32C35126.6°126.6°
H27C27C32H3211.4°1.4°
H27C27C32H322108.1°108.1°
C35C32H321H322116.3°116.3°
C32C35C38H351125.3°125.3°
C32C35C38H352125.2°125.2°
C32C35H351H352116.9°116.9°
C32C35C38C41170.4°170.4°
C32C35C38H38164.3°64.3°
C32C35C38H38245.1°45.1°
H321C32C35C3857.2°57.2°
H321C32C35H35168.1°68.1°
H321C32C35H352177.6°177.6°
H322C32C35C38166.7°166.7°
H322C32C35H35141.5°41.5°
H322C32C35H35268.1°68.1°
C38C35H351H352116.8°116.8°
C35C38C41H381125.3°125.3°
C35C38C41H382125.3°125.3°
C35C38H381H382116.3°116.3°
C35C38C41C43156.2°156.2°
C35C38C41C4775.1°75.1°
C35C38C41H4138.4°38.4°
H351C35C38C4145.2°45.2°
H351C35C38H381170.4°170.4°
H351C35C38H38280.1°80.1°
H352C35C38C4164.4°64.4°
H352C35C38H38160.9°60.9°
H352C35C38H382170.3°170.3°
C41C38H381H382116.3°116.3°
C38C41C43C47130.4°130.4°
C38C41C43H41115.5°115.5°
C38C41C47H41114.6°114.6°
C38C41C43H431179.9°179.9°
C38C41C43H43254.7°54.7°
C38C41C43H43354.7°54.7°
C38C41C47O49165.1°165.1°
C38C41C47C5171.5°71.5°
C38C41C47H4744.0°44.0°
H381C38C41C4378.6°78.6°
H381C38C41C4750.1°50.1°
H381C38C41H41163.6°163.6°
H382C38C41C4330.9°30.9°
H382C38C41C47159.6°159.6°
H382C38C41H4186.9°86.9°
C43C41C47H41117.5°117.5°
C41C43H431H432125.2°125.2°
C41C43H431H433125.3°125.3°
C41C43H432H433117.8°117.8°
C43C41C47O4967.0°67.0°
C43C41C47C5156.4°56.4°
C43C41C47H47171.8°171.8°
C47C41C43H43149.5°49.5°
C47C41C43H43275.7°75.7°
C47C41C43H433174.8°174.8°
C41C47O49C51129.1°129.1°
C41C47O49H47114.3°114.3°
C41C47C51H47113.5°113.5°
C41C47O49H49180.0°180.0°
C41C47C51C5390.1°90.1°
C41C47C51C57152.2°152.2°
C41C47C51H5128.9°28.9°
H41C41C43H43164.5°64.5°
H41C41C43H432170.3°170.3°
H41C41C43H43360.8°60.8°
H41C41C47O4950.5°50.5°
H41C41C47C51173.9°173.9°
H41C41C47H4770.7°70.7°
H431C43H432H433117.7°117.7°
O49C47C51H47121.5°121.5°
O49C47C51C5334.9°34.9°
O49C47C51C5782.8°82.8°
O49C47C51H51153.9°153.9°
C51C47O49H4950.9°50.9°
C47C51C53C57118.7°118.7°
C47C51C53H51118.0°118.0°
C47C51C57H51118.0°118.0°
C47C51C53H531180.0°180.0°
C47C51C53H53254.8°54.8°
C47C51C53H53354.8°54.8°
C47C51C57O5852.6°52.6°
C47C51C57C59126.1°126.1°
H47C47O49H4965.7°65.7°
H47C47C51C53156.4°156.4°
H47C47C51C5738.7°38.7°
H47C47C51H5184.6°84.6°
C53C51C57H51119.0°119.0°
C51C53H531H532125.3°125.3°
C51C53H531H533125.2°125.2°
C51C53H532H533116.2°116.2°
C53C51C57O5870.5°70.5°
C53C51C57C59110.8°110.8°
C57C51C53H53161.3°61.3°
C57C51C53H532173.5°173.5°
C57C51C53H53364.0°64.0°
C51C57O58C59178.7°178.7°
C51C57C59C6436.9°36.9°
C51C57C59C6083.5°83.5°
C51C57C59C68157.9°157.9°
H51C51C53H53162.0°62.0°
H51C51C53H53263.3°63.3°
H51C51C53H533172.8°172.8°
H51C51C57O58170.5°170.5°
H51C51C57C598.1°8.1°
H531C53H532H533116.2°116.2°
O58C57C59C64141.7°141.7°
O58C57C59C6097.8°97.8°
O58C57C59C6820.7°20.7°
C57C59C64C60120.1°120.1°
C57C59C64C68121.1°121.1°
C57C59C60C68118.4°118.4°
C57C59C64H641180.0°180.0°
C57C59C64H64254.7°54.7°
C57C59C64H64354.8°54.8°
C57C59C60H601180.0°180.0°
C57C59C60H60254.7°54.7°
C57C59C60H60354.7°54.7°
C57C59C68O7064.2°64.2°
C57C59C68C7259.2°59.2°
C57C59C68H68175.1°175.1°
C64C59C60C68118.5°118.5°
C59C64H641H642125.3°125.3°
C59C64H641H643125.3°125.3°
C59C64H642H643116.7°116.7°
C64C59C60H60156.8°56.8°
C64C59C60H60268.4°68.4°
C64C59C60H603177.9°177.9°
C64C59C68O70172.1°172.1°
C64C59C68C7264.4°64.4°
C64C59C68H6851.5°51.5°
C60C59C64H64159.9°59.9°
C60C59C64H642174.8°174.8°
C60C59C64H64365.3°65.3°
C59C60H601H602125.3°125.3°
C59C60H601H603125.3°125.3°
C59C60H602H603118.6°118.6°
C60C59C68O7053.7°53.7°
C60C59C68C72177.1°177.1°
C60C59C68H6867.0°67.0°
C68C59C64H64158.9°58.9°
C68C59C64H64266.4°66.4°
C68C59C64H643175.9°175.9°
C68C59C60H60161.6°61.6°
C68C59C60H602173.1°173.1°
C68C59C60H60363.7°63.7°
C59C68O70C72125.4°125.4°
C59C68O70H68118.4°118.4°
C59C68C72H68118.0°118.0°
C59C68O70H70180.0°180.0°
C59C68C72C7592.6°92.6°
C59C68C72H721142.2°142.2°
C59C68C72H72232.7°32.7°
H641C64H642H643116.7°116.7°
H601C60H602H603118.6°118.6°
O70C68C72H68120.5°120.5°
O70C68C72C75145.9°145.9°
O70C68C72H72120.6°20.6°
O70C68C72H72288.9°88.9°
C72C68O70H7054.6°54.6°
C68C72C75H721125.3°125.3°
C68C72C75H722125.2°125.2°
C68C72H721H722115.7°115.7°
C68C72C75O299.8°99.8°
C68C72C75O7682.1°82.1°
H68C68O70H7061.6°61.6°
H68C68C72C7525.4°25.4°
H68C68C72H72199.8°99.8°
H68C68C72H722150.7°150.7°
C75C72H721H722115.8°115.8°
C72C75O2O76178.1°178.1°
H721C72C75O2134.9°134.9°
H721C72C75O7643.2°43.2°
H722C72C75O225.4°25.4°
H722C72C75O76152.7°152.7°

223532

PDB entries from 2024-08-07

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