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HEL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S1C2sing1.85Å1.83Å
S1C5sing1.84Å1.83Å
C2C3sing1.55Å1.57Å
C2C24sing1.53Å1.54Å
C2C25sing1.53Å1.53Å
C3N4sing1.47Å1.48Å
C3C26sing1.51Å1.51Å
C3H3sing1.09Å1.12Å
N4C5sing1.48Å1.46Å
N4C7sing1.40Å1.41Å
C5C6sing1.53Å1.54Å
C5H5sing1.09Å1.11Å
C6C7sing1.51Å1.51Å
C6N8sing1.47Å1.46Å
C6H6sing1.09Å1.12Å
C7O29doub1.21Å1.21Å
N8C9sing1.35Å1.37Å
N8HN8sing0.97Å1.02Å
C9O10doub1.21Å1.20Å
C9C11sing1.51Å1.51Å
C11C12sing1.53Å1.54Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C12C13sing1.53Å1.54Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.11Å
C13C14sing1.53Å1.53Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.12Å
C14C15sing1.53Å1.54Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.12Å
C15C16sing1.51Å1.52Å
C15N19sing1.46Å1.46Å
C15H15sing1.09Å1.11Å
C16O17doub1.22Å1.19Å
C16O18sing1.22Å1.42Å
N19C20sing1.35Å1.33Å
N19H19sing0.97Å1.02Å
C20O21doub1.21Å1.22Å
C20C22sing1.51Å1.50Å
C22N23sing1.47Å1.48Å
C22H221sing1.09Å1.11Å
C22H222sing1.09Å1.11Å
N23H231sing1.01Å1.02Å
N23H232sing1.01Å1.02Å
N23H233sing1.01Å1.02Å
C24H241sing1.09Å1.12Å
C24H242sing1.09Å1.11Å
C24H243sing1.09Å1.11Å
C25H251sing1.09Å1.12Å
C25H252sing1.09Å1.12Å
C25H253sing1.09Å1.11Å
C26O27sing1.22Å1.22Å
C26O28doub1.22Å1.35Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2S1C590.1°97.1°
S1C2C3102.9°98.6°
S1C2C24105.9°111.6°
S1C2C25113.8°111.6°
S1C5N4102.0°103.3°
S1C5C6120.0°114.1°
S1C5H5103.3°115.0°
C3C2C24108.8°111.5°
C3C2C25111.0°111.6°
C2C3N4103.1°111.7°
C2C3C26110.3°110.0°
C2C3H3115.0°107.9°
C24C2C25113.7°111.4°
C2C24H241105.9°109.5°
C2C24H242113.6°109.5°
C2C24H243113.5°109.5°
C2C25H251113.8°109.4°
C2C25H252110.6°109.4°
C2C25H253110.6°109.5°
N4C3C26114.5°109.1°
N4C3H3110.8°109.0°
C3N4C5119.4°115.8°
C3N4C7121.3°116.1°
C26C3H3103.6°109.0°
C3C26O27124.7°120.0°
C3C26O28108.8°120.0°
C5N4C791.6°92.5°
N4C5C688.9°88.2°
N4C5H5129.5°116.7°
N4C7C692.5°92.1°
N4C7O29128.2°133.8°
C6C5H5114.0°115.9°
C5C6C784.9°86.3°
C5C6N8115.6°113.7°
C5C6H6120.0°113.8°
C7C6N8107.1°113.8°
C7C6H6127.2°113.7°
C6C7O29139.0°134.1°
N8C6H6102.1°113.0°
C6N8C9117.1°120.0°
C6N8HN8124.5°120.0°
C9N8HN8118.4°120.1°
N8C9O10120.8°120.0°
N8C9C11114.0°120.0°
O10C9C11125.1°120.0°
C9C11C12110.3°109.5°
C9C11H111111.9°109.5°
C9C11H112111.8°109.5°
C12C11H111111.9°109.5°
C12C11H112111.9°109.5°
C11C12C13112.5°109.5°
C11C12H121111.0°109.5°
C11C12H122111.1°109.4°
H111C11H11298.5°109.5°
C13C12H121111.1°109.5°
C13C12H122111.1°109.5°
C12C13C14108.5°109.4°
C12C13H131112.6°109.5°
C12C13H132112.6°109.4°
H121C12H12299.3°109.4°
C14C13H131112.6°109.5°
C14C13H132112.5°109.5°
C13C14C15110.0°109.4°
C13C14H141112.0°109.5°
C13C14H142112.0°109.4°
H131C13H13297.9°109.5°
C15C14H141112.0°109.5°
C15C14H142112.0°109.4°
C14C15C16107.6°109.5°
C14C15N19107.6°109.5°
C14C15H15113.8°109.4°
H141C14H14298.3°109.5°
C16C15N19114.8°109.5°
C16C15H15106.5°109.5°
C15C16O17120.3°120.0°
C15C16O18113.4°120.0°
N19C15H15106.6°109.5°
C15N19C20124.8°120.0°
C15N19H19122.5°120.0°
O17C16O18126.1°120.0°
C20N19H19112.7°120.0°
N19C20O21121.8°120.0°
N19C20C22115.6°120.0°
O21C20C22122.6°120.0°
C20C22N23107.2°109.5°
C20C22H221113.0°109.5°
C20C22H222113.0°109.5°
N23C22H221113.1°109.4°
N23C22H222113.1°109.5°
C22N23H231107.2°109.5°
C22N23H232113.0°109.5°
C22N23H233113.1°109.5°
H221C22H22297.4°109.4°
H231N23H232113.1°109.5°
H231N23H233113.1°109.4°
H232N23H23397.4°109.5°
H241C24H242113.5°109.4°
H241C24H243113.5°109.5°
H242C24H24397.0°109.5°
H251C25H252110.6°109.5°
H251C25H253110.7°109.5°
H252C25H25399.7°109.5°
O27C26O28126.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S1C2C3C24112.0°117.4°
S1C2C3C25122.1°117.4°
S1C2C24C25125.7°125.4°
S1C2C3N438.9°36.6°
S1C2C3C26161.6°157.9°
S1C2C3H381.8°83.2°
C2S1C5N435.7°19.3°
C2S1C5C6131.5°113.4°
C2S1C5H5100.2°109.0°
S1C2C24H241180.0°173.9°
S1C2C24H24254.8°53.9°
S1C2C24H24354.8°66.1°
S1C2C25H251180.0°66.1°
S1C2C25H25254.8°53.9°
S1C2C25H25354.7°173.9°
C5S1C2C344.6°31.5°
C5S1C2C24158.7°85.8°
C5S1C2C2575.6°148.9°
S1C5N4C318.0°0.9°
S1C5N4C6120.5°114.4°
S1C5N4H5118.7°127.3°
S1C5N4C7109.8°121.7°
S1C5C6H5123.2°137.2°
S1C5C6C793.3°110.5°
S1C5C6N813.3°3.9°
S1C5C6H6136.2°135.2°
C3C2C24C25124.3°125.4°
C2C3N4C26119.9°121.9°
C2C3N4H3123.5°119.2°
C2C3C26H3123.5°118.2°
C2C3N4C513.8°26.6°
C2C3N4C7126.2°133.5°
C3C2C24H24170.0°64.7°
C3C2C24H242164.7°55.3°
C3C2C24H24355.2°175.3°
C3C2C25H25164.5°175.3°
C3C2C25H25260.8°55.4°
C3C2C25H253170.2°64.7°
C2C3C26O2795.1°65.7°
C2C3C26O2887.5°114.3°
C24C2C3N4150.9°80.8°
C24C2C3C2686.4°40.5°
C24C2C3H330.3°159.4°
C2C24H241H242125.3°120.0°
C2C24H241H243125.2°120.0°
C2C24H242H243119.5°120.0°
C24C2C25H25158.6°59.3°
C24C2C25H252176.2°179.3°
C24C2C25H25366.7°60.7°
C25C2C3N483.2°154.0°
C25C2C3C2639.5°84.7°
C25C2C3H3156.1°34.2°
C25C2C24H24154.3°60.7°
C25C2C24H24271.0°179.3°
C25C2C24H243179.5°59.4°
C2C25H251H252125.2°119.9°
C2C25H251H253125.3°120.0°
C2C25H252H253116.5°120.0°
N4C3C26H3120.8°118.9°
C3N4C5C7127.8°120.7°
C3N4C5C6138.5°113.5°
C3N4C5H5100.7°128.2°
C3N4C7C6137.3°113.1°
C3N4C7O2947.2°67.6°
N4C3C26O2720.6°171.4°
N4C3C26O28156.8°8.6°
C26C3N4C5133.6°148.4°
C26C3N4C7114.0°104.6°
C3C26O27O28176.9°180.0°
H3C3N4C5109.7°92.6°
H3C3N4C72.7°14.3°
H3C3C26O27141.3°52.5°
H3C3C26O2836.1°127.5°
N4C5C6H5133.5°119.0°
C5N4C7C611.0°7.3°
N4C5C6N8116.6°107.7°
N4C5C6H6120.5°121.0°
C5N4C7O29173.5°172.0°
C7N4C5H5131.5°111.0°
N4C7C6O29174.6°179.3°
N4C7C6N8125.7°107.2°
N4C7C6H6113.8°121.5°
C5C6C7N8115.3°114.3°
C5C6C7H6124.2°114.4°
C5C6N8H6132.0°131.6°
C5C6C7O29174.9°172.2°
C5C6N8C972.2°155.0°
C5C6N8HN8107.8°25.0°
H5C5C6C7143.6°112.3°
H5C5C6N8109.9°133.3°
H5C5C6H613.0°2.1°
C7C6N8H6135.4°131.7°
C7C6N8C9164.8°108.3°
C7C6N8HN815.2°71.7°
N8C6C7O2959.6°73.5°
C6N8C9HN8180.0°180.0°
C6N8C9O103.1°0.0°
C6N8C9C11178.6°180.0°
H6C6C7O2960.9°57.9°
H6C6N8C959.8°23.4°
H6C6N8HN8120.2°156.6°
N8C9O10C11178.1°180.0°
N8C9C11C12127.5°180.0°
N8C9C11H111107.2°60.0°
N8C9C11H1122.3°60.0°
HN8N8C9O10176.9°180.0°
HN8N8C9C111.4°0.1°
O10C9C11C1254.2°0.0°
O10C9C11H11171.0°120.0°
O10C9C11H112179.5°120.0°
C9C11C12H111125.2°120.0°
C9C11C12H112125.2°120.0°
C9C11H111H112117.7°120.0°
C9C11C12C13173.5°180.0°
C9C11C12H12148.2°60.0°
C9C11C12H12261.3°60.0°
C12C11H111H112117.9°120.0°
C11C12C13H121125.2°120.1°
C11C12C13H122125.2°119.9°
C11C12H121H122116.9°119.9°
C11C12C13C1467.7°180.0°
C11C12C13H131167.1°60.0°
C11C12C13H13257.6°60.0°
H111C11C12C1361.3°60.0°
H111C11C12H121173.4°180.0°
H111C11C12H12264.0°60.0°
H112C11C12C1348.2°60.0°
H112C11C12H12177.1°60.0°
H112C11C12H122173.5°180.0°
C13C12H121H122117.0°120.0°
C12C13C14H131125.3°120.0°
C12C13C14H132125.2°120.0°
C12C13H131H132118.5°120.0°
C12C13C14C15169.6°180.0°
C12C13C14H14165.1°60.0°
C12C13C14H14244.3°60.1°
H121C12C13C1457.6°59.9°
H121C12C13H13167.7°179.9°
H121C12C13H132177.2°60.0°
H122C12C13C14167.1°60.1°
H122C12C13H13141.8°59.9°
H122C12C13H13267.7°180.0°
C14C13H131H132118.5°120.0°
C13C14C15H141125.3°120.0°
C13C14C15H142125.3°119.9°
C13C14H141H142117.9°120.0°
C13C14C15C16170.5°175.0°
C13C14C15N1965.2°65.0°
C13C14C15H1552.7°55.0°
H131C13C14C1544.3°60.0°
H131C13C14H141169.6°180.0°
H131C13C14H14281.0°59.9°
H132C13C14C1565.2°60.0°
H132C13C14H14160.1°60.0°
H132C13C14H142169.5°180.0°
C15C14H141H142117.9°120.0°
C14C15C16N19119.8°120.1°
C14C15C16H15122.5°119.9°
C14C15N19H15122.5°120.0°
C14C15C16O1788.3°110.0°
C14C15C16O1888.6°69.9°
C14C15N19C20113.8°155.0°
C14C15N19H1966.3°25.0°
H141C14C15C1645.2°55.0°
H141C14C15N19169.5°175.0°
H141C14C15H1572.6°65.0°
H142C14C15C1664.2°65.1°
H142C14C15N1960.1°55.0°
H142C14C15H15178.0°175.0°
C16C15N19H15117.7°120.0°
C15C16O17O18176.5°180.0°
C16C15N19C20126.4°85.0°
C16C15N19H1953.5°95.0°
N19C15C16O17151.9°10.0°
N19C15C16O1831.2°170.0°
C15N19C20H19180.0°180.0°
C15N19C20O214.9°0.0°
C15N19C20C22173.2°180.0°
H15C15C16O1734.1°130.0°
H15C15C16O18148.9°50.0°
H15C15N19C208.7°35.0°
H15C15N19H19171.2°145.0°
N19C20O21C22177.9°180.0°
N19C20C22N23168.0°180.0°
N19C20C22H22142.7°60.0°
N19C20C22H22266.7°60.0°
H19N19C20O21175.1°180.0°
H19N19C20C226.9°0.0°
O21C20C22N2314.0°0.1°
O21C20C22H221139.2°120.0°
O21C20C22H222111.3°120.0°
C20C22N23H221125.2°120.0°
C20C22N23H222125.2°120.1°
C20C22H221H222118.9°120.0°
C20C22N23H231180.0°60.0°
C20C22N23H23254.7°60.0°
C20C22N23H23354.7°180.0°
N23C22H221H222119.1°120.0°
C22N23H231H232125.2°120.0°
C22N23H231H233125.3°120.0°
C22N23H232H233119.0°120.0°
H221C22N23H23154.8°180.0°
H221C22N23H232180.0°60.0°
H221C22N23H23370.5°60.0°
H222C22N23H23154.8°60.0°
H222C22N23H23270.5°180.0°
H222C22N23H233179.9°59.9°
H231N23H232H233119.1°120.0°
H241C24H242H243119.4°120.0°
H251C25H252H253116.5°120.1°

220113

PDB entries from 2024-05-22

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