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SIG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.39Å1.42ÅAromatic
C1C6sing1.39Å1.44ÅAromatic
C1O13sing1.36Å1.43Å
C2C3sing1.39Å1.45ÅAromatic
C2O12sing1.36Å1.39Å
C3C4doub1.41Å1.42ÅAromatic
C3O7sing1.35Å1.42ÅAromatic
C4C5sing1.40Å1.44ÅAromatic
C4C10sing1.47Å1.49ÅAromatic
C5C6doub1.38Å1.44ÅAromatic
C5O14sing1.36Å1.43Å
C6H6sing1.08Å1.10Å
O7C8sing1.34Å1.41ÅAromatic
C8C9doub1.34Å1.42ÅAromatic
C8C20sing1.51Å1.59Å
C9C10sing1.42Å1.46ÅAromatic
C9C33sing1.51Å1.51Å
C10O15doub1.22Å1.23Å
O12HO2sing0.97Å0.95Å
O13C26sing1.43Å1.42Å
O14C16sing1.43Å1.42Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.11Å
C16H163sing1.09Å1.12Å
C20C21sing1.53Å1.56Å
C20H201sing1.09Å1.12Å
C20H202sing1.09Å1.11Å
C21C22sing1.53Å1.62Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.12Å
C22C23sing1.53Å1.56Å
C22C27sing1.53Å1.53Å
C22H22sing1.09Å1.11Å
C23C24sing1.53Å1.47Å
C23C28sing1.53Å1.53Å
C23H23sing1.09Å1.11Å
C24C25sing1.53Å1.55Å
C24C35sing1.53Å1.56Å
C24H24sing1.09Å1.11Å
C25C29sing1.51Å1.49Å
C25C34sing1.53Å1.52Å
C25H25sing1.09Å1.11Å
C26H261sing1.09Å1.11Å
C26H262sing1.09Å1.12Å
C26H263sing1.09Å1.11Å
C27H271sing1.09Å1.11Å
C27H272sing1.09Å1.11Å
C27H273sing1.09Å1.12Å
C28H281sing1.09Å1.12Å
C28H282sing1.09Å1.12Å
C28H283sing1.09Å1.12Å
C29C30doub1.33Å1.33Å
C29H29sing1.08Å1.10Å
C30C31sing1.46Å1.52Å
C30H30sing1.08Å1.10Å
C31C32doub1.35Å1.34Å
C31H31sing1.08Å1.10Å
C32C36sing1.46Å1.48Å
C32H32sing1.08Å1.10Å
C33H331sing1.09Å1.12Å
C33H332sing1.09Å1.12Å
C33H333sing1.09Å1.11Å
C34H341sing1.09Å1.11Å
C34H342sing1.09Å1.12Å
C34H343sing1.09Å1.12Å
C35H351sing1.09Å1.11Å
C35H352sing1.09Å1.12Å
C35H353sing1.09Å1.12Å
C36C37doub1.33Å1.37Å
C36C39sing1.51Å1.51Å
C37C38sing1.51Å1.50Å
C37H37sing1.08Å1.10Å
C38H381sing1.09Å1.11Å
C38H382sing1.09Å1.11Å
C38H383sing1.09Å1.11Å
C39H391sing1.09Å1.11Å
C39H392sing1.09Å1.12Å
C39H393sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6118.4°120.6°
C2C1O13115.6°119.7°
C1C2C3120.7°120.0°
C1C2O12118.9°120.0°
C6C1O13126.0°119.7°
C1C6C5121.7°120.2°
C1C6H6119.3°119.9°
C1O13C26119.6°106.8°
C3C2O12120.4°120.0°
C2C3C4120.1°119.4°
C2C3O7120.9°120.9°
C2O12HO2118.9°106.8°
C4C3O7119.0°119.7°
C3C4C5120.4°120.3°
C3C4C10118.3°118.3°
C3O7C8124.1°122.4°
C5C4C10121.4°121.5°
C4C5C6118.7°119.6°
C4C5O14117.5°120.2°
C4C10C9120.8°117.2°
C4C10O15123.0°121.4°
C6C5O14123.7°120.2°
C5C6H6119.0°119.9°
C5O14C16119.2°106.8°
O7C8C9119.3°122.8°
O7C8C20109.2°118.6°
C9C8C20131.5°118.6°
C8C9C10118.6°119.7°
C8C9C33126.8°120.2°
C8C20C21126.9°109.5°
C8C20H201106.1°109.4°
C8C20H202106.1°109.4°
C10C9C33114.7°120.2°
C9C10O15116.2°121.4°
C9C33H331126.8°109.4°
C9C33H332106.1°109.5°
C9C33H333106.2°109.4°
O13C26H261119.6°109.5°
O13C26H262108.6°109.4°
O13C26H263108.6°109.5°
O14C16H161119.2°109.4°
O14C16H162108.7°109.5°
O14C16H163108.7°109.4°
H161C16H162108.7°109.5°
H161C16H163108.7°109.4°
H162C16H163101.4°109.6°
C21C20H201106.0°109.5°
C21C20H202106.1°109.5°
C20C21C22118.3°109.5°
C20C21H211109.0°109.5°
C20C21H212109.0°109.5°
H201C20H202103.4°109.5°
C22C21H211109.0°109.4°
C22C21H212109.0°109.5°
C21C22C23119.4°109.5°
C21C22C27109.4°109.5°
C21C22H22101.2°109.5°
H211C21H212101.0°109.5°
C23C22C27105.0°109.5°
C23C22H22105.9°109.4°
C22C23C24117.6°109.5°
C22C23C28110.3°109.4°
C22C23H23103.2°109.4°
C27C22H22116.5°109.4°
C22C27H271109.4°109.4°
C22C27H272112.3°109.5°
C22C27H273112.2°109.5°
C24C23C28110.1°109.5°
C24C23H23103.5°109.5°
C23C24C25114.8°109.5°
C23C24C35114.3°109.5°
C23C24H24101.8°109.5°
C28C23H23111.9°109.5°
C23C28H281110.3°109.5°
C23C28H282111.9°109.4°
C23C28H283112.0°109.5°
C25C24C35109.3°109.4°
C25C24H24107.7°109.5°
C24C25C29113.0°109.5°
C24C25C34110.3°109.4°
C24C25H25106.2°109.5°
C35C24H24108.4°109.4°
C24C35H351114.2°109.5°
C24C35H352110.4°109.5°
C24C35H353110.5°109.5°
C29C25C34108.8°109.4°
C29C25H25107.9°109.5°
C25C29C30127.3°120.0°
C25C29H29123.0°120.1°
C34C25H25110.7°109.5°
C25C34H341110.3°109.5°
C25C34H342111.9°109.4°
C25C34H343111.9°109.5°
H261C26H262108.5°109.4°
H261C26H263108.6°109.5°
H262C26H263101.4°109.4°
H271C27H272112.3°109.5°
H271C27H273112.2°109.5°
H272C27H27398.1°109.5°
H281C28H282111.9°109.6°
H281C28H283111.9°109.5°
H282C28H28398.4°109.4°
C30C29H29109.8°119.9°
C29C30C31125.9°120.1°
C29C30H30109.4°119.9°
C31C30H30124.7°120.0°
C30C31C32123.3°120.1°
C30C31H31125.0°120.0°
C32C31H31111.7°119.9°
C31C32C36128.2°120.0°
C31C32H32110.0°119.9°
C36C32H32121.9°120.0°
C32C36C37124.0°120.0°
C32C36C39110.7°120.0°
H331C33H332106.1°109.5°
H331C33H333106.1°109.5°
H332C33H333103.3°109.5°
H341C34H342111.9°109.4°
H341C34H343112.0°109.5°
H342C34H34398.5°109.4°
H351C35H352110.5°109.5°
H351C35H353110.5°109.5°
H352C35H35399.8°109.5°
C37C36C39125.3°120.0°
C36C37C38128.3°120.0°
C36C37H37110.5°120.0°
C36C39H391110.7°109.4°
C36C39H392111.7°109.4°
C36C39H393111.7°109.4°
C38C37H37121.2°120.0°
C37C38H381128.2°109.5°
C37C38H382105.6°109.4°
C37C38H383105.6°109.5°
H381C38H382105.7°109.5°
H381C38H383105.7°109.5°
H382C38H383103.7°109.4°
H391C39H392111.8°109.5°
H391C39H393111.8°109.5°
H392C39H39398.6°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6O13179.5°179.7°
C1C2C3O12178.9°179.7°
C1C2C3C41.2°0.5°
C1C2C3O7179.3°179.7°
C2C1C6C51.0°0.3°
C2C1C6H6179.0°179.7°
C1C2O12HO2180.0°90.3°
C2C1O13C26179.9°179.8°
C6C1C2C31.5°0.5°
C6C1C2O12179.6°179.8°
C1C6C5C40.2°0.1°
C1C6C5H6179.9°180.0°
C1C6C5O14179.6°179.9°
C6C1O13C260.3°0.0°
O13C1C2C3178.9°179.8°
O13C1C2O120.0°0.1°
O13C1C6C5179.4°180.0°
O13C1C6H60.5°0.0°
C1O13C26H261179.9°180.0°
C1O13C26H26254.7°60.0°
C1O13C26H26354.7°59.9°
C2C3C4O7179.5°179.8°
C2C3C4C50.3°0.3°
C2C3C4C10179.7°179.9°
C2C3O7C8179.6°179.8°
C3C2O12HO21.0°90.0°
O12C2C3C4179.9°179.8°
O12C2C3O70.4°0.0°
C3C4C5C10179.4°179.8°
C3C4C5C60.1°0.1°
C3C4C5O14179.9°180.0°
C4C3O7C80.9°0.1°
C3C4C10C90.1°0.1°
C3C4C10O15179.6°179.9°
O7C3C4C5179.9°179.9°
O7C3C4C100.7°0.1°
C3O7C8C90.3°0.1°
C3O7C8C20179.5°180.0°
C4C5C6O14179.8°179.8°
C4C5C6H6179.8°179.9°
C5C4C10C9179.5°179.9°
C5C4C10O150.1°0.3°
C4C5O14C16179.5°179.9°
C10C4C5C6179.3°179.9°
C10C4C5O140.5°0.3°
C4C10C9C80.4°0.1°
C4C10C9O15179.7°179.8°
C4C10C9C33179.5°179.9°
C6C5O14C160.3°0.1°
O14C5C6H60.4°0.1°
C5O14C16H161180.0°180.0°
C5O14C16H16254.8°60.0°
C5O14C16H16354.8°60.1°
O7C8C9C20179.8°179.9°
O7C8C9C100.3°0.1°
O7C8C9C33179.6°180.0°
O7C8C20C21173.0°89.9°
O7C8C20H20147.7°30.1°
O7C8C20H20261.8°150.0°
C8C9C10C33179.9°179.9°
C8C9C10O15179.9°179.9°
C9C8C20C216.9°90.0°
C9C8C20H201132.1°150.0°
C9C8C20H202118.4°30.0°
C8C9C33H331180.0°180.0°
C8C9C33H33254.8°60.0°
C8C9C33H33354.7°60.0°
C20C8C9C10179.9°180.0°
C20C8C9C330.2°0.1°
C8C20C21H201125.2°120.0°
C8C20C21H202125.3°120.0°
C8C20H201H202111.4°119.9°
C8C20C21C22112.6°180.0°
C8C20C21H21112.6°60.0°
C8C20C21H212122.1°60.0°
C10C9C33H3310.1°0.1°
C10C9C33H332125.1°120.1°
C10C9C33H333125.4°119.9°
C33C9C10O150.2°0.2°
C9C33H331H332125.2°120.0°
C9C33H331H333125.3°120.0°
C9C33H332H333111.5°120.0°
O13C26H261H262125.2°119.9°
O13C26H261H263125.4°120.1°
O13C26H262H263114.2°120.0°
O14C16H161H162125.3°120.0°
O14C16H161H163125.2°119.9°
O14C16H162H163114.4°120.0°
H161C16H162H163114.4°120.0°
C21C20H201H202111.4°120.0°
C20C21C22H211125.3°120.0°
C20C21C22H212125.3°120.0°
C20C21H211H212114.8°120.0°
C20C21C22C2375.5°180.0°
C20C21C22C27163.6°59.9°
C20C21C22H2240.1°60.0°
H201C20C21C22122.1°60.0°
H201C20C21H211112.6°180.0°
H201C20C21H2123.2°60.0°
H202C20C21C2212.6°60.0°
H202C20C21H211137.9°60.0°
H202C20C21H212112.6°180.0°
C22C21H211H212114.7°120.0°
C21C22C23C27123.1°120.1°
C21C22C23H22113.1°120.0°
C21C22C27H22113.9°120.0°
C21C22C23C24108.7°173.7°
C21C22C23C2818.5°53.6°
C21C22C23H23138.2°66.4°
C21C22C27H271180.0°63.2°
C21C22C27H27254.7°176.8°
C21C22C27H27354.7°56.7°
H211C21C22C23159.2°60.0°
H211C21C22C2738.3°60.0°
H211C21C22H2285.2°180.0°
H212C21C22C2349.8°60.0°
H212C21C22C2771.1°179.9°
H212C21C22H22165.4°60.0°
C23C22C27H22116.8°119.9°
C22C23C24C28127.4°120.0°
C22C23C24H23113.0°119.9°
C22C23C28H23114.2°119.9°
C22C23C24C2595.6°79.2°
C22C23C24C3531.7°160.8°
C22C23C24H24148.3°40.8°
C23C22C27H27150.7°56.9°
C23C22C27H272176.0°63.2°
C23C22C27H27374.6°176.8°
C22C23C28H281180.0°52.1°
C22C23C28H28254.7°172.2°
C22C23C28H28354.7°67.9°
C27C22C23C24128.2°66.3°
C27C22C23C28104.5°173.7°
C27C22C23H2315.1°53.7°
C22C27H271H272125.3°120.0°
C22C27H271H273125.3°120.0°
C22C27H272H273118.1°120.0°
H22C22C23C244.3°53.7°
H22C22C23C28131.6°66.4°
H22C22C23H23108.8°173.6°
H22C22C27H27166.1°176.8°
H22C22C27H27259.2°56.8°
H22C22C27H273168.6°63.2°
C24C23C28H23114.4°120.0°
C23C24C25C35129.9°120.0°
C23C24C25H24112.6°120.1°
C23C24C35H24112.7°120.0°
C23C24C25C29172.2°176.1°
C23C24C25C3450.2°64.0°
C23C24C25H2569.8°56.0°
C24C23C28H28148.7°67.9°
C24C23C28H282174.0°52.2°
C24C23C28H28376.6°172.1°
C23C24C35H351180.0°65.9°
C23C24C35H35254.7°174.2°
C23C24C35H35354.7°54.1°
C28C23C24C25137.0°40.7°
C28C23C24C3595.6°79.2°
C28C23C24H2420.9°160.8°
C23C28H281H282125.3°120.0°
C23C28H281H283125.4°120.0°
C23C28H282H283117.8°119.9°
H23C23C24C2517.3°160.8°
H23C23C24C35144.7°40.9°
H23C23C24H2498.7°79.1°
H23C23C28H28165.7°172.1°
H23C23C28H28259.5°67.8°
H23C23C28H283168.9°52.0°
C25C24C35H24117.1°120.0°
C24C25C29C34122.9°119.9°
C24C25C29H25117.1°120.1°
C24C25C34H25117.2°120.0°
C24C25C29C30127.2°120.0°
C24C25C29H2952.7°59.9°
C24C25C34H341180.0°39.0°
C24C25C34H34254.7°159.0°
C24C25C34H34354.7°81.0°
C25C24C35H35149.9°54.1°
C25C24C35H352175.2°65.9°
C25C24C35H35375.4°174.0°
C35C24C25C2958.0°56.2°
C35C24C25C34180.0°176.1°
C35C24C25H2560.1°63.9°
C24C35H351H352125.3°120.0°
C24C35H351H353125.3°120.0°
C24C35H352H353116.3°120.0°
H24C24C25C2959.5°63.8°
H24C24C25C3462.5°56.1°
H24C24C25H25177.6°176.1°
H24C24C35H35167.2°174.1°
H24C24C35H35258.1°54.1°
H24C24C35H353167.5°65.9°
C29C25C34H25118.3°120.0°
C25C29C30H29180.0°179.9°
C25C29C30C31155.1°179.9°
C25C29C30H3024.8°0.1°
C29C25C34H34155.6°80.9°
C29C25C34H342179.2°39.0°
C29C25C34H34369.8°159.0°
C34C25C29C30109.9°120.1°
C34C25C29H2970.1°60.0°
C25C34H341H342125.2°120.0°
C25C34H341H343125.3°120.1°
C25C34H342H343117.8°120.0°
H25C25C29C3010.2°0.1°
H25C25C29H29169.8°180.0°
H25C25C34H34162.8°159.0°
H25C25C34H34262.5°81.0°
H25C25C34H343171.9°39.0°
H261C26H262H263114.3°120.0°
H271C27H272H273118.1°120.0°
H281C28H282H283117.8°120.0°
C29C30C31H30180.0°180.0°
C29C30C31C32154.8°179.9°
C29C30C31H3125.2°0.1°
H29C29C30C3124.8°0.0°
H29C29C30H30155.2°180.0°
C30C31C32H31180.0°179.9°
C30C31C32C36177.4°179.9°
C30C31C32H322.7°0.1°
H30C30C31C3225.2°0.1°
H30C30C31H31154.8°179.9°
C31C32C36H32180.0°180.0°
C31C32C36C3767.7°179.9°
C31C32C36C39112.9°0.0°
H31C31C32C362.6°0.1°
H31C31C32H32177.3°179.9°
C32C36C37C39179.3°179.9°
C32C36C37C38179.5°180.0°
C32C36C37H370.5°0.1°
C32C36C39H391180.0°180.0°
C32C36C39H39254.7°60.0°
C32C36C39H39354.7°60.0°
H32C32C36C37112.4°0.1°
H32C32C36C3967.1°180.0°
H331C33H332H333111.4°120.1°
H341C34H342H343117.9°120.0°
H351C35H352H353116.3°120.0°
C36C37C38H37180.0°180.0°
C36C37C38H381180.0°180.0°
C36C37C38H38254.8°60.0°
C36C37C38H38354.7°60.0°
C37C36C39H3910.6°0.0°
C37C36C39H392125.9°120.0°
C37C36C39H393124.7°120.0°
C39C36C37C380.2°0.0°
C39C36C37H37179.8°180.0°
C36C39H391H392125.2°120.0°
C36C39H391H393125.3°120.0°
C36C39H392H393117.6°120.0°
C37C38H381H382125.2°120.0°
C37C38H381H383125.2°120.0°
C37C38H382H383110.8°120.0°
H37C37C38H3810.1°0.0°
H37C37C38H382125.2°120.0°
H37C37C38H383125.3°120.1°
H381C38H382H383111.0°120.0°
H391C39H392H393117.7°120.1°

222415

PDB entries from 2024-07-10

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