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277

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C1C6sing1.53Å1.55Å
C1H11sing1.10Å1.10Å
C1H12sing1.10Å1.10Å
C2C3sing1.53Å1.55Å
C2H21sing1.10Å1.10Å
C2H22sing1.10Å1.10Å
C3C15sing1.53Å1.55Å
C3C4sing1.53Å1.57Å
C3H3sing1.10Å1.10Å
C4C5sing1.53Å1.54Å
C4H41sing1.10Å1.10Å
C4H42sing1.10Å1.10Å
C5C6sing1.53Å1.56Å
C5H51sing1.10Å1.10Å
C5H52sing1.10Å1.10Å
C6N20sing1.44Å1.49Å
C6H6sing1.10Å1.10Å
C15C17sing1.54Å1.57Å
C15C35sing1.53Å1.56Å
C15H15sing1.10Å1.10Å
C17N33sing1.44Å1.12Å
C17C18sing1.51Å1.57Å
C17H17sing1.09Å1.10Å
C18N19sing1.38Å1.35Å
C18O32doub1.23Å1.21Å
N19C42sing1.46Å1.45Å
N19C45sing1.46Å1.49Å
N20C23sing1.47Å1.49Å
N20C22sing1.40Å1.38Å
C22O31doub1.23Å1.23Å
C22C27sing1.51Å1.55Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C23H233sing1.09Å1.10Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
N33H331sing1.01Å1.00Å
N33H332sing1.01Å1.00Å
C35H351sing1.09Å1.10Å
C35H352sing1.10Å1.10Å
C35H353sing1.10Å1.10Å
C42C43sing1.52Å1.50Å
C42H421sing1.09Å1.10Å
C42H422sing1.09Å1.10Å
C43C44sing1.52Å1.52Å
C43F52sing1.36Å1.40Å
C43H43sing1.09Å1.10Å
C44C45sing1.52Å1.53Å
C44H441sing1.09Å1.10Å
C44H442sing1.10Å1.10Å
C45H451sing1.09Å1.10Å
C45H452sing1.10Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6110.6°111.6°
C2C1H11109.1°109.5°
C2C1H12108.8°109.4°
C1C2C3111.4°111.7°
C1C2H21108.8°109.3°
C1C2H22108.4°109.3°
C6C1H11109.1°110.1°
C6C1H12108.8°109.9°
C1C6C5113.3°111.3°
C1C6N20112.4°110.7°
C1C6H6104.8°109.1°
H11C1H12110.4°106.3°
C3C2H21108.8°109.8°
C3C2H22108.4°109.8°
C2C3C15111.7°110.7°
C2C3C4109.7°110.8°
C2C3H3108.0°108.5°
H21C2H22111.0°106.8°
C15C3C4110.3°110.7°
C15C3H3107.5°107.5°
C3C15C17112.4°111.5°
C3C15C35111.8°109.4°
C3C15H15105.8°108.1°
C4C3H3109.5°108.5°
C3C4C5112.2°111.7°
C3C4H41108.6°109.8°
C3C4H42108.0°109.8°
C5C4H41108.6°109.3°
C5C4H42108.0°109.2°
C4C5C6110.0°111.6°
C4C5H51109.3°109.4°
C4C5H52109.2°109.5°
H41C4H42111.6°106.8°
C6C5H51109.3°109.9°
C6C5H52109.2°110.0°
C5C6N20109.9°110.5°
C5C6H6107.6°109.1°
H51C5H52109.9°106.4°
N20C6H6108.6°105.9°
C6N20C23119.6°115.8°
C6N20C22126.4°122.1°
C17C15C35109.3°110.9°
C17C15H15108.4°109.3°
C15C17N33109.3°112.7°
C15C17C18110.5°112.4°
C15C17H17108.1°111.7°
C35C15H15109.0°107.6°
C15C35H351109.5°111.5°
C15C35H352109.4°110.7°
C15C35H353109.4°111.1°
N33C17C18107.0°102.6°
N33C17H17111.6°107.9°
C17N33H331109.5°119.1°
C17N33H332109.5°119.1°
C18C17H17110.4°109.1°
C17C18N19119.0°115.6°
C17C18O32120.2°120.4°
N19C18O32120.8°124.0°
C18N19C42122.9°126.6°
C18N19C45125.3°122.2°
C42N19C45111.8°111.2°
N19C42C43106.1°104.2°
N19C42H421110.6°110.1°
N19C42H422111.4°107.4°
N19C45C44101.0°104.5°
N19C45H451112.4°111.0°
N19C45H452114.1°107.7°
C23N20C22114.0°122.2°
N20C23H231109.5°110.1°
N20C23H232109.4°110.2°
N20C23H233109.4°110.2°
N20C22O31122.1°123.8°
N20C22C27120.0°117.0°
O31C22C27117.9°119.2°
C22C27H271109.5°109.4°
C22C27H272109.4°110.3°
C22C27H273109.5°110.2°
H231C23H232109.5°108.8°
H231C23H233109.5°108.8°
H232C23H233109.5°108.7°
H271C27H272109.5°108.1°
H271C27H273109.4°108.1°
H272C27H273109.5°110.6°
H331N33H332109.5°120.3°
H351C35H352109.4°107.3°
H351C35H353109.5°108.1°
H352C35H353109.5°108.0°
C43C42H421110.6°113.1°
C43C42H422111.4°111.8°
C42C43C44103.7°103.7°
C42C43F52107.8°108.6°
C42C43H43114.0°113.5°
H421C42H422106.9°109.9°
C44C43F52109.0°108.8°
C44C43H43112.9°113.9°
C43C44C45105.1°102.6°
C43C44H441110.9°113.1°
C43C44H442111.9°110.0°
F52C43H43109.2°108.2°
C45C44H441111.0°111.8°
C45C44H442111.9°110.0°
C44C45H451112.4°113.2°
C44C45H452114.2°111.5°
H441C44H442106.2°109.2°
H451C45H452103.2°108.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H11120.0°121.8°
C2C1C6H12119.5°121.5°
C2C1H11H12119.5°118.0°
C1C2C3H21120.0°121.4°
C1C2C3H22119.2°121.4°
C1C2H21H22119.2°118.1°
C1C2C3C15179.9°178.0°
C1C2C3C457.3°54.8°
C1C2C3H362.1°64.3°
C2C1C6C555.1°54.6°
C2C1C6N20179.6°178.0°
C2C1C6H661.9°65.9°
C6C1H11H12119.5°118.9°
C6C1C2C356.7°55.1°
C6C1C2H21176.7°176.8°
C6C1C2H2262.5°66.6°
C1C6C5C453.4°54.5°
C1C6C5N20126.7°123.5°
C1C6C5H6115.3°120.5°
C1C6C5H5166.6°67.0°
C1C6C5H52173.2°176.2°
C1C6N20H6115.4°118.1°
C1C6N20C2348.0°61.9°
C1C6N20C22131.9°118.2°
H11C1C2C3176.7°177.2°
H11C1C2H2163.3°61.1°
H11C1C2H2257.5°55.5°
H11C1C6C5175.1°176.4°
H11C1C6N2059.6°60.2°
H11C1C6H658.1°55.9°
H12C1C2C362.9°66.8°
H12C1C2H2157.1°55.0°
H12C1C2H22177.9°171.5°
H12C1C6C564.4°66.9°
H12C1C6N2060.9°56.4°
H12C1C6H6178.6°172.6°
C3C2H21H22119.2°119.1°
C2C3C15C4122.3°123.2°
C2C3C15H3118.3°118.4°
C2C3C4H3118.4°119.0°
C2C3C4C556.3°54.8°
C2C3C4H41176.3°66.7°
C2C3C4H4262.5°176.1°
C2C3C15C1768.6°59.9°
C2C3C15C3554.7°63.0°
C2C3C15H15173.3°179.9°
H21C2C3C1560.1°60.6°
H21C2C3C4177.3°176.3°
H21C2C3H357.9°57.2°
H22C2C3C1560.7°56.6°
H22C2C3C461.9°66.5°
H22C2C3H3178.7°174.4°
C15C3C4H3118.1°117.8°
C15C3C4C5179.8°178.0°
C15C3C4H4160.2°56.5°
C15C3C4H4261.0°60.7°
C3C15C17C35124.7°122.1°
C3C15C17H15116.5°119.4°
C3C15C35H15116.6°117.2°
C3C15C17N3350.4°64.0°
C3C15C17C18167.9°179.4°
C3C15C17H1771.2°57.6°
C3C15C35H35180.6°175.4°
C3C15C35H35239.4°56.0°
C3C15C35H353159.4°63.9°
C3C4C5H41120.0°121.8°
C3C4C5H42118.9°121.6°
C3C4H41H42118.9°119.0°
C3C4C5C653.9°55.0°
C3C4C5H5166.1°66.9°
C3C4C5H52173.7°177.0°
C4C3C15C17169.0°176.8°
C4C3C15C3567.6°60.2°
C4C3C15H1550.9°56.7°
H3C3C4C562.1°64.2°
H3C3C4H4157.9°174.3°
H3C3C4H42179.0°57.1°
H3C3C15C1749.7°58.4°
H3C3C15C35173.1°178.6°
H3C3C15H1568.4°61.7°
C5C4H41H42118.9°118.1°
C4C5C6H51120.0°121.5°
C4C5C6H52119.8°121.7°
C4C5H51H52119.8°118.1°
C4C5C6N20179.9°178.0°
C4C5C6H661.9°66.0°
H41C4C5C6173.9°66.8°
H41C4C5H5153.9°171.4°
H41C4C5H5266.3°55.2°
H42C4C5C665.0°176.6°
H42C4C5H51175.0°54.8°
H42C4C5H5254.8°61.4°
C6C5H51H52119.8°119.1°
C5C6N20H6117.4°118.0°
C5C6N20C2379.2°61.9°
C5C6N20C22100.9°118.0°
H51C5C6N2060.1°56.5°
H51C5C6H6178.1°172.5°
H52C5C6N2060.1°60.3°
H52C5C6H657.9°55.7°
C6N20C23C22179.9°179.9°
C6N20C22O31179.4°0.1°
C6N20C22C270.7°180.0°
C6N20C23H23190.8°121.0°
C6N20C23H232149.3°119.0°
C6N20C23H23329.3°1.0°
H6C6N20C23163.4°180.0°
H6C6N20C2216.5°0.0°
C17C15C35H15118.4°119.5°
C15C17N33C18119.7°121.1°
C15C17N33H17119.5°123.8°
C15C17C18H17119.5°124.4°
C15C17C18N19122.8°124.2°
C15C17C18O3254.1°55.5°
C15C17N33H33146.1°157.1°
C15C17N33H33274.0°9.5°
C17C15C35H35144.5°61.3°
C17C15C35H352164.5°179.3°
C17C15C35H35375.5°59.4°
C35C15C17N33175.2°173.9°
C35C15C17C1867.3°58.5°
C35C15C17H1753.6°64.5°
C15C35H351H352120.0°121.3°
C15C35H351H353120.0°122.5°
C15C35H352H353120.0°121.8°
H15C15C17N3366.1°55.4°
H15C15C17C1851.4°60.0°
H15C15C17H17172.3°177.0°
H15C15C35H351162.9°58.2°
H15C15C35H35277.2°61.2°
H15C15C35H35342.9°178.9°
N33C17C18H17121.6°114.2°
N33C17C18N19118.3°114.4°
N33C17C18O3264.8°65.8°
C17N33H331H332120.0°166.4°
C17C18N19O32176.9°179.7°
C17C18N19C4212.3°0.0°
C17C18N19C45168.6°179.7°
C18C17N33H33173.6°81.8°
C18C17N33H332166.3°111.7°
H17C17C18N193.3°0.2°
H17C17C18O32173.7°180.0°
H17C17N33H331165.6°33.3°
H17C17N33H33245.5°133.3°
C18N19C42C45179.3°179.7°
C18N19C42C43178.1°170.1°
C18N19C42H42161.9°48.5°
C18N19C42H42256.8°71.1°
C18N19C45C44161.0°166.5°
C18N19C45H45179.0°44.2°
C18N19C45H45238.1°74.8°
O32C18N19C42164.7°179.7°
O32C18N19C4514.5°0.0°
N19C42C43H421120.0°119.5°
N19C42C43H422121.3°115.7°
N19C42H421H422121.4°118.1°
N19C42C43C4421.9°29.1°
N19C42C43F5293.6°86.4°
N19C42C43H43145.1°153.3°
C42N19C45C4419.7°13.8°
C42N19C45H451100.3°136.1°
C42N19C45H452142.7°104.9°
C45N19C42C431.2°9.6°
C45N19C42H421118.9°131.2°
C45N19C42H422122.5°109.2°
N19C45C44C4332.7°31.3°
N19C45C44H451120.0°120.9°
N19C45C44H452122.9°116.1°
N19C45C44H44187.3°152.9°
N19C45C44H442154.4°85.7°
N19C45H451H452123.4°118.3°
C23N20C22O310.5°180.0°
C23N20C22C27179.4°0.1°
N20C23H231H232120.0°120.9°
N20C23H231H233120.0°120.9°
N20C23H232H233120.0°120.9°
N20C22O31C27180.0°179.9°
C22N20C23H23189.3°59.0°
C22N20C23H23230.6°61.0°
C22N20C23H233150.6°179.0°
N20C22C27H27189.7°180.0°
N20C22C27H272150.4°61.2°
N20C22C27H27330.3°61.2°
O31C22C27H27190.4°0.1°
O31C22C27H27229.6°118.7°
O31C22C27H273149.7°118.9°
C22C27H271H272120.0°120.1°
C22C27H271H273120.0°120.1°
C22C27H272H273120.0°122.2°
H231C23H232H233120.0°118.3°
H271C27H272H273120.0°118.2°
H351C35H352H353120.0°116.3°
C43C42H421H422121.4°125.8°
C42C43C44F52114.6°115.4°
C42C43C44H43123.9°123.9°
C42C43F52H43124.3°123.6°
C42C43C44C4534.4°37.2°
C42C43C44H44185.6°157.9°
C42C43C44H442156.0°79.8°
H421C42C43C4498.1°148.6°
H421C42C43F52146.4°33.1°
H421C42C43H4325.1°87.2°
H422C42C43C44143.2°86.6°
H422C42C43F5227.7°157.9°
H422C42C43H4393.6°37.6°
C44C43F52H43123.7°124.2°
C43C44C45H441120.0°121.5°
C43C44C45H442121.7°117.0°
C43C44H441H442121.8°122.8°
C43C44C45H45187.3°152.2°
C43C44C45H452155.7°84.7°
F52C43C44C4580.2°78.2°
F52C43C44H441159.8°42.5°
F52C43C44H44241.4°164.9°
H43C43C44C45158.3°161.1°
H43C43C44H44138.3°78.2°
H43C43C44H44280.1°44.1°
C45C44H441H442121.8°121.9°
C44C45H451H452123.4°124.5°
H441C44C45H451152.7°86.2°
H441C44C45H45235.7°36.8°
H442C44C45H45134.4°35.2°
H442C44C45H45282.7°158.2°

246905

PDB entries from 2025-12-31

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