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8DV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C3Osing1.43Å1.43Å
C3C4sing1.53Å1.51Å
OC2sing1.43Å1.43Å
C4Nsing1.47Å1.47Å
C2C1sing1.53Å1.52Å
NC1sing1.47Å1.48Å
NC5sing1.39Å1.37Å
C1Csing1.53Å1.53Å
C6C5doub1.40Å1.41ÅAromatic
C6C7sing1.38Å1.40ÅAromatic
C5N2sing1.33Å1.34ÅAromatic
C19C17sing1.53Å1.53Å
C19C18sing1.53Å1.50Å
O1Sdoub1.42Å1.43Å
N2C8doub1.33Å1.34ÅAromatic
C7C17sing1.51Å1.51Å
C7N1doub1.32Å1.34ÅAromatic
C17Ssing1.81Å1.84Å
C17C18sing1.53Å1.52Å
O2Sdoub1.42Å1.43Å
SC20sing1.81Å1.81Å
C8N1sing1.33Å1.34ÅAromatic
C8C9sing1.48Å1.50Å
C15C14doub1.34Å1.36ÅAromatic
C15C16sing1.46Å1.44ÅAromatic
C14N3sing1.37Å1.37ÅAromatic
C20C21sing1.53Å1.49Å
C20C22sing1.53Å1.49Å
C16C9doub1.41Å1.41ÅAromatic
C16C13sing1.41Å1.41ÅAromatic
C9C10sing1.39Å1.40ÅAromatic
C21C22sing1.53Å1.48Å
N3C13sing1.38Å1.38ÅAromatic
C13C12doub1.39Å1.39ÅAromatic
C10C11doub1.38Å1.39ÅAromatic
C12C11sing1.38Å1.39ÅAromatic
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C11H6sing1.08Å1.08Å
C12H7sing1.08Å1.08Å
C14H8sing1.08Å1.08Å
C15H9sing1.08Å1.08Å
C18H10sing1.09Å1.10Å
C18H11sing1.09Å1.10Å
C19H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C20H14sing1.09Å1.10Å
C21H15sing1.09Å1.10Å
C21H16sing1.09Å1.10Å
C22H17sing1.09Å1.10Å
C22H18sing1.09Å1.10Å
C6H19sing1.08Å1.08Å
N3H20sing0.97Å1.00Å
C10H21sing1.08Å1.08Å
CH22sing1.09Å1.10Å
CH23sing1.09Å1.10Å
CH24sing1.09Å1.10Å
C4H25sing1.09Å1.10Å
C4H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OC3C4111.7°109.3°
C3OC2111.2°113.7°
OC3H4108.9°109.5°
OC3H5108.9°109.5°
C3C4N109.4°109.2°
C4C3H4108.9°109.4°
C4C3H5108.9°109.5°
C3C4H25109.5°109.5°
C3C4H26109.5°109.6°
OC2C1111.8°109.2°
OC2H2108.9°109.5°
OC2H3108.9°109.6°
C4NC1117.7°110.8°
C4NC5120.3°111.0°
NC4H25109.5°109.4°
NC4H26109.5°109.5°
C2C1N107.5°109.3°
C2C1C114.1°109.5°
C2C1H1107.4°109.5°
C1C2H2108.9°109.5°
C1C2H3108.9°109.5°
C1NC5120.3°111.0°
NC1C112.4°109.5°
NC1H1107.9°109.5°
NC5C6122.1°120.5°
NC5N2116.4°120.5°
CC1H1107.4°109.5°
C1CH22109.5°109.5°
C1CH23109.4°109.5°
C1CH24109.5°109.5°
C5C6C7115.0°118.5°
C6C5N2121.4°119.0°
C5C6H19122.5°120.8°
C6C7C17118.5°120.3°
C6C7N1124.0°119.3°
C7C6H19122.5°120.7°
C5N2C8118.5°120.6°
C17C19C1860.5°60.0°
C19C17C7120.0°117.5°
C19C17S118.6°117.5°
C19C17C1858.9°60.0°
C17C19H12119.9°117.5°
C17C19H13119.9°117.5°
C19C18C1760.5°60.0°
C19C18H10119.9°117.5°
C19C18H11119.9°117.5°
C18C19H12119.9°117.5°
C18C19H13119.9°117.4°
O1SC17107.3°108.6°
O1SO2121.2°119.2°
O1SC20108.1°108.6°
N2C8N1125.1°121.6°
N2C8C9117.0°119.2°
C17C7N1117.5°120.4°
C7C17S112.6°115.5°
C7C17C18121.0°117.5°
C7N1C8116.0°121.0°
SC17C18115.9°117.5°
C17SO2107.1°108.6°
C17SC20104.0°101.9°
C17C18H10119.9°117.5°
C17C18H11119.9°117.5°
O2SC20107.9°108.6°
SC20C21122.8°117.5°
SC20C22119.3°117.5°
SC20H14112.0°115.5°
N1C8C9117.9°119.2°
C8C9C16121.7°120.3°
C8C9C10119.5°120.3°
C14C15C16106.6°107.0°
C15C14N3110.0°109.9°
C15C14H8125.0°125.0°
C14C15H9126.7°126.5°
C15C16C9133.5°134.0°
C15C16C13107.0°106.1°
C16C15H9126.7°126.5°
C14N3C13109.1°109.8°
N3C14H8125.0°125.1°
C14N3H20125.5°125.1°
C21C20C2259.6°60.0°
C20C21C2260.1°60.0°
C21C20H14116.9°117.6°
C20C21H15120.0°117.5°
C20C21H16120.0°117.5°
C20C22C2160.3°60.0°
C22C20H14117.0°117.5°
C20C22H17120.0°117.5°
C20C22H18119.9°117.5°
C9C16C13119.0°119.9°
C16C9C10118.7°119.4°
C16C13N3107.3°107.2°
C16C13C12121.7°119.5°
C9C10C11121.1°120.2°
C9C10H21119.4°119.9°
C22C21H15120.0°117.5°
C22C21H16120.0°117.5°
C21C22H17119.9°117.5°
C21C22H18120.0°117.5°
N3C13C12130.7°133.4°
C13N3H20125.5°125.1°
C13C12C11118.6°120.2°
C13C12H7120.7°119.9°
C10C11C12120.8°120.9°
C10C11H6119.6°119.5°
C11C10H21119.5°119.9°
C12C11H6119.6°119.6°
C11C12H7120.7°119.9°
H2C2H3109.4°109.5°
H4C3H5109.5°109.6°
H10C18H11109.5°115.5°
H12C19H13109.5°115.6°
H15C21H16109.5°115.6°
H17C22H18109.5°115.6°
H22CH23109.5°109.4°
H22CH24109.5°109.4°
H23CH24109.5°109.5°
H25C4H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OC3C4H4120.3°120.0°
OC3C4H5120.3°120.0°
OC3C4N51.7°56.8°
C3OC2C161.9°58.6°
C3OC2H258.5°178.5°
C3OC2H3177.7°61.3°
OC3H4H5119.0°120.2°
OC3C4H2568.2°63.0°
OC3C4H26171.7°176.8°
C4C3OC260.5°58.7°
C3C4NH25120.0°119.9°
C3C4NH26120.0°120.0°
C3C4NC148.4°58.6°
C3C4NC5146.4°177.6°
C4C3H4H5119.0°120.0°
C3C4H25H26120.0°120.2°
OC2C1H2120.4°119.9°
OC2C1H3120.4°120.0°
OC2C1N53.4°56.9°
OC2C1C71.9°63.1°
OC2C1H1169.3°176.8°
OC2H2H3119.0°120.2°
C2OC3H4179.2°61.2°
C2OC3H559.8°178.6°
C4NC1C248.8°58.6°
C4NC1C5165.2°123.8°
C4NC1C77.5°61.3°
C4NC5C64.6°56.3°
C4NC5N2172.1°123.6°
C4NC1H1164.3°178.6°
NC4C3H4172.1°63.2°
NC4C3H568.6°176.8°
NC4H25H26120.0°120.1°
C2C1NC126.3°120.0°
C2C1NH1115.5°120.0°
C2C1NC5146.0°177.6°
C2C1CH1118.8°120.1°
C1C2H2H3118.9°120.1°
C2C1CH22180.0°60.0°
C2C1CH2360.0°179.9°
C2C1CH2460.0°60.1°
NC1CH1118.5°120.1°
C1NC5C6169.4°180.0°
C1NC5N27.3°0.0°
NC1C2H267.0°176.8°
NC1C2H3173.8°63.1°
NC1CH2257.3°59.9°
NC1CH23177.3°60.1°
NC1CH2462.7°179.9°
C1NC4H2571.6°61.3°
C1NC4H26168.4°178.6°
C5NC1C87.7°62.5°
NC5C6N2176.5°180.0°
NC5C6C7176.4°180.0°
NC5N2C8175.0°179.8°
C5NC1H130.5°57.6°
NC5C6H193.7°0.0°
C5NC4H2593.6°62.5°
C5NC4H2626.4°57.6°
CC1C2H2167.7°56.8°
CC1C2H348.5°176.9°
C1CH22H23120.0°120.0°
C1CH22H24120.0°120.1°
C1CH23H24120.0°120.0°
C5C6C7H19180.0°180.0°
C6C5N2C81.7°0.2°
C5C6C7C17175.2°180.0°
C5C6C7N12.0°0.2°
C7C6C5N20.1°0.0°
C6C7C17C1955.6°151.1°
C6C7C17N1177.4°179.7°
C6C7C17S91.4°63.2°
C6C7C17C18125.3°82.5°
C6C7N1C82.4°0.3°
C5N2C8N11.3°0.2°
C5N2C8C9179.8°179.8°
N2C5C6H19179.8°180.0°
C17C19C18H12109.6°107.5°
C17C19C18H13109.6°107.5°
C19C17SO1107.7°1.1°
C19C17C7S147.1°145.7°
C19C17C7C1869.6°68.7°
C19C17C7N1121.8°28.6°
C19C17SC1867.1°68.6°
C19C17SO223.8°129.9°
C19C17SC20137.9°115.6°
C17C19C18H10109.6°107.5°
C17C19C18H11109.6°107.5°
C17C19H12H13144.5°145.8°
C19C18H10H11144.5°145.7°
C18C19H12H13144.4°145.6°
O1SC17C739.9°144.6°
O1SC17O2131.5°131.0°
O1SC17C20114.4°114.5°
O1SC17C18174.8°69.8°
O1SO2C20125.3°125.0°
O1SC20C2127.6°67.3°
O1SC20C2243.1°135.9°
O1SC20H14174.9°78.5°
N2C8N1C70.7°0.1°
N2C8N1C9178.5°180.0°
N2C8C9C1621.1°5.8°
N2C8C9C10162.2°174.5°
C7C17SC18145.3°145.6°
C7C17SO2171.3°84.4°
C7C17SC2074.5°30.1°
C17C7N1C8174.8°180.0°
C7C17C18H10141.8°0.0°
C7C17C18H111.0°145.0°
C7C17C19H12140.1°145.0°
C7C17C19H130.7°0.1°
C17C7C6H194.8°0.0°
N1C7C17S91.2°117.1°
N1C7C17C1852.1°97.3°
C7N1C8C9177.8°180.0°
N1C7C6H19178.0°179.7°
C17SO2C20111.5°110.1°
C17SC20C2186.1°178.2°
C17SC20C22156.9°109.6°
SC17C18H100.4°145.0°
SC17C18H11141.1°0.0°
SC17C19H125.0°0.0°
SC17C19H13145.8°145.1°
C17SC20H1461.1°36.0°
C18C17SO243.4°61.2°
C18C17SC2070.8°175.7°
C17C18H10H11144.4°145.7°
O2SC20C21160.4°63.7°
O2SC20C2289.6°4.9°
O2SC20H1452.4°150.5°
SC20C21C22107.2°107.5°
SC20C21H14145.8°145.1°
SC20C22H14140.1°144.9°
SC20C21H15143.2°145.0°
SC20C21H162.3°0.0°
SC20C22H173.5°0.1°
SC20C22H18137.4°145.0°
N1C8C9C16157.5°174.3°
N1C8C9C1019.2°5.5°
C8C9C16C154.8°0.1°
C8C9C16C10176.7°179.7°
C8C9C16C13175.1°180.0°
C8C9C10C11175.7°179.7°
C8C9C10H214.3°0.2°
C14C15C16H9180.0°180.0°
C15C14N3H8180.0°180.0°
C14C15C16C9171.0°180.0°
C14C15C16C130.1°0.0°
C15C14N3C130.2°0.0°
C15C14N3H20179.8°179.9°
C16C15C14N30.2°0.0°
C15C16C9C13170.2°179.9°
C15C16C9C10171.9°179.8°
C15C16C13N30.0°0.0°
C15C16C13C12174.5°180.0°
C16C15C14H8179.9°180.0°
C14N3C13C160.1°0.0°
C14N3C13H20180.0°179.9°
C14N3C13C12173.7°180.0°
N3C14C15H9179.9°180.0°
C21C20C22H14106.9°107.6°
C20C21C22H15109.5°107.4°
C20C21C22H16109.5°107.5°
C20C21H15H16144.6°145.7°
C21C20C22H17109.5°107.4°
C21C20C22H18109.6°107.5°
C20C22H17H18144.6°145.7°
C9C16C13N3172.6°180.0°
C9C16C13C121.9°0.0°
C16C9C10C111.1°0.5°
C9C16C15H99.0°0.1°
C16C9C10H21178.9°180.0°
C13C16C9C101.7°0.3°
C16C13N3C12173.9°180.0°
C16C13C12C111.4°0.0°
C16C13C12H7178.5°180.0°
C13C16C15H9179.9°180.0°
C16C13N3H20179.9°180.0°
C9C10C11H21180.0°179.5°
C9C10C11C120.6°0.5°
C9C10C11H6179.4°179.8°
C22C21H15H16144.7°145.7°
C21C22H17H18144.6°145.7°
N3C13C12C11171.7°180.0°
N3C13C12H78.3°0.0°
C13N3C14H8179.8°180.0°
C13C12C11C100.8°0.3°
C13C12C11H7180.0°180.0°
C13C12C11H6179.2°180.0°
C12C13N3H206.3°0.0°
C10C11C12H6180.0°179.7°
C10C11C12H7179.2°179.7°
C12C11C10H21179.3°179.9°
H1C1C2H248.9°63.3°
H1C1C2H370.3°56.9°
H1C1CH2261.1°180.0°
H1C1CH2358.9°60.0°
H1C1CH24178.8°60.0°
H4C3C4H2552.1°177.0°
H4C3C4H2668.0°56.8°
H5C3C4H25171.4°56.9°
H5C3C4H2651.4°63.2°
H6C11C12H70.8°0.0°
H6C11C10H210.6°0.2°
H8C14C15H90.1°0.1°
H8C14N3H200.2°0.0°
H10C18C19H120.0°144.9°
H10C18C19H13140.8°0.1°
H11C18C19H12140.8°0.0°
H11C18C19H130.0°145.0°
H14C20C21H152.5°0.1°
H14C20C21H16143.5°145.1°
H14C20C22H17143.6°145.0°
H14C20C22H182.7°0.1°
H15C21C22H17140.9°145.1°
H15C21C22H180.0°0.0°
H16C21C22H170.1°0.0°
H16C21C22H18141.0°145.0°
H22CH23H24120.0°119.9°

222415

PDB entries from 2024-07-10

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