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RFR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13Ssing1.81Å1.75Å
O3Sdoub1.42Å1.43Å
C10C11doub1.36Å1.37ÅAromatic
C10C9sing1.40Å1.42ÅAromatic
C11C12sing1.40Å1.40ÅAromatic
C8C9doub1.40Å1.42ÅAromatic
C8N3sing1.31Å1.33ÅAromatic
C9C15sing1.42Å1.42ÅAromatic
SN4sing1.66Å1.63Å
SO2doub1.42Å1.43Å
C12N4sing1.39Å1.43Å
C12C14doub1.38Å1.37ÅAromatic
N3C7doub1.33Å1.34ÅAromatic
C15C14sing1.40Å1.40ÅAromatic
C15C6doub1.41Å1.43ÅAromatic
C7C6sing1.38Å1.40ÅAromatic
C6N2sing1.40Å1.42Å
N2C5sing1.35Å1.36Å
C5C4sing1.51Å1.53Å
C5O1doub1.21Å1.23Å
C3C4sing1.53Å1.53Å
C3N1sing1.47Å1.46Å
C4C16sing1.51Å1.52Å
NCsing1.46Å1.45Å
NC1sing1.35Å1.33Å
C2N1sing1.47Å1.46Å
C2C1sing1.51Å1.52Å
N1C22sing1.47Å1.47Å
C16C17doub1.39Å1.39ÅAromatic
C16C21sing1.38Å1.40ÅAromatic
C1Odoub1.21Å1.23Å
C17C18sing1.38Å1.38ÅAromatic
C22C21sing1.51Å1.51Å
C21C20doub1.39Å1.39ÅAromatic
C18CLsing1.74Å1.74Å
C18C19doub1.38Å1.38ÅAromatic
C20C19sing1.38Å1.38ÅAromatic
C4H2sing1.09Å1.10Å
C7H3sing1.08Å1.08Å
C8H4sing1.08Å1.08Å
C10H5sing1.08Å1.08Å
C13H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C17H9sing1.08Å1.08Å
C20H10sing1.08Å1.08Å
C22H11sing1.09Å1.10Å
C22H12sing1.09Å1.10Å
C19H13sing1.08Å1.08Å
C2H14sing1.09Å1.10Å
C2H15sing1.09Å1.10Å
NH16sing0.97Å1.00Å
CH17sing1.09Å1.10Å
CH18sing1.09Å1.10Å
CH19sing1.09Å1.10Å
C3H20sing1.09Å1.10Å
C3H21sing1.09Å1.10Å
N2H22sing0.97Å1.00Å
C14H23sing1.08Å1.08Å
C11H24sing1.08Å1.08Å
N4H25sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13SO3108.6°110.6°
C13SN4106.4°104.4°
C13SO2108.4°110.5°
SC13H6109.5°109.5°
SC13H7109.4°109.5°
SC13H8109.5°109.5°
O3SN4108.3°104.2°
O3SO2119.0°121.1°
C11C10C9120.5°119.8°
C10C11C12120.8°121.0°
C11C10H5119.7°120.1°
C10C11H24119.6°119.5°
C10C9C8123.6°121.8°
C10C9C15118.7°119.5°
C9C10H5119.8°120.1°
C11C12N4126.3°119.7°
C11C12C14119.7°120.6°
C12C11H24119.6°119.5°
C9C8N3123.9°120.3°
C8C9C15117.8°118.6°
C9C8H4118.0°119.9°
C8N3C7117.5°122.8°
N3C8H4118.0°119.8°
C9C15C14118.7°119.7°
C9C15C6118.5°118.2°
N4SO2105.4°104.3°
SN4C12131.1°120.0°
SN4H25103.8°120.0°
N4C12C14113.9°119.7°
C12N4H25103.8°120.0°
C12C14C15121.5°119.3°
C12C14H23119.2°120.3°
N3C7C6125.4°121.6°
N3C7H3117.3°119.2°
C14C15C6122.7°122.1°
C15C14H23119.2°120.4°
C15C6C7116.8°118.5°
C15C6N2116.7°120.8°
C7C6N2126.0°120.8°
C6C7H3117.3°119.2°
C6N2C5128.9°120.0°
C6N2H22115.6°120.0°
N2C5C4114.7°120.0°
N2C5O1123.1°119.9°
C5N2H22115.6°119.9°
C4C5O1122.0°120.1°
C5C4C3111.9°109.3°
C5C4C16108.6°109.4°
C5C4H2108.6°109.4°
C4C3N1109.7°108.5°
C3C4C16110.4°110.0°
C3C4H2108.6°109.4°
C4C3H20109.4°109.7°
C4C3H21109.4°109.6°
C3N1C2115.2°111.0°
C3N1C22110.8°110.2°
N1C3H20109.4°109.6°
N1C3H21109.4°109.6°
C4C16C17120.1°118.5°
C4C16C21120.1°121.7°
C16C4H2108.8°109.4°
CNC1122.5°120.0°
CNH16118.7°120.0°
NCH17109.5°109.5°
NCH18109.4°109.5°
NCH19109.5°109.4°
NC1C2115.6°120.0°
NC1O122.9°120.0°
C1NH16118.8°120.0°
N1C2C1111.5°109.5°
C2N1C22113.3°111.0°
N1C2H14109.0°109.5°
N1C2H15109.0°109.5°
C2C1O121.3°119.9°
C1C2H14109.0°109.5°
C1C2H15109.0°109.5°
N1C22C21112.1°110.5°
N1C22H11108.8°109.2°
N1C22H12108.8°109.3°
C17C16C21119.5°119.9°
C16C17C18119.6°120.3°
C16C17H9120.2°119.8°
C16C21C22120.9°121.8°
C16C21C20119.2°119.7°
C17C18CL119.0°120.1°
C17C18C19121.6°119.8°
C18C17H9120.2°119.8°
C22C21C20119.9°118.5°
C21C22H11108.8°109.2°
C21C22H12108.8°109.3°
C21C20C19121.0°120.4°
C21C20H10119.5°119.8°
CLC18C19119.3°120.1°
C18C19C20118.9°119.9°
C18C19H13120.5°120.0°
C19C20H10119.5°119.8°
C20C19H13120.5°120.1°
H6C13H7109.5°109.4°
H6C13H8109.5°109.4°
H7C13H8109.5°109.5°
H11C22H12109.4°109.2°
H14C2H15109.5°109.5°
H17CH18109.5°109.5°
H17CH19109.5°109.5°
H18CH19109.4°109.5°
H20C3H21109.5°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13SO3N4115.2°111.7°
C13SO3O2124.6°131.6°
C13SN4O2115.0°116.1°
C13SN4C12129.7°61.6°
SC13H6H7120.0°120.0°
SC13H6H8120.0°120.0°
SC13H7H8120.0°120.0°
C13SN4H25107.5°118.3°
O3SN4O2128.3°127.9°
O3SN4C1213.1°54.5°
O3SC13H6180.0°46.5°
O3SC13H760.0°73.4°
O3SC13H860.0°166.5°
O3SN4H25135.9°125.6°
C11C10C9H5180.0°180.0°
C10C11C12H24180.0°179.9°
C11C10C9C8179.3°179.9°
C11C10C9C150.7°0.1°
C10C11C12N4179.2°180.0°
C10C11C12C140.5°0.0°
C9C10C11C120.5°0.1°
C10C9C8C15178.6°180.0°
C10C9C8N3177.8°180.0°
C10C9C15C142.0°0.1°
C10C9C15C6176.5°180.0°
C10C9C8H42.2°0.0°
C9C10C11H24179.5°180.0°
C11C12N4S2.5°46.3°
C11C12N4C14179.7°180.0°
C11C12C14C150.9°0.0°
C12C11C10H5179.5°180.0°
C11C12C14H23179.1°180.0°
C11C12N4H25125.2°133.8°
C9C8N3H4180.0°180.0°
C9C8N3C70.7°0.0°
C8C9C15C14179.3°179.9°
C8C9C15C62.2°0.0°
C8C9C10H50.7°0.0°
N3C8C9C150.8°0.0°
C8N3C7C60.8°0.0°
C8N3C7H3179.2°180.0°
C9C15C14C122.1°0.0°
C9C15C14C6178.4°179.9°
C9C15C6C72.1°0.0°
C9C15C6N2170.6°180.0°
C15C9C8H4179.2°180.0°
C15C9C10H5179.3°180.0°
C9C15C14H23177.9°180.0°
SN4C12H25122.8°180.0°
SN4C12C14177.8°133.8°
N4SC13H663.6°65.0°
N4SC13H7176.4°175.0°
N4SC13H856.4°54.9°
O2SN4C12115.2°177.7°
O2SC13H649.4°176.7°
O2SC13H770.6°63.4°
O2SC13H8169.4°56.7°
O2SN4H257.5°2.3°
N4C12C14C15179.4°180.0°
N4C12C14H230.6°0.0°
N4C12C11H240.7°0.1°
C12C14C15H23180.0°180.0°
C12C14C15C6176.3°179.9°
C14C12C11H24179.6°179.9°
C14C12N4H2555.0°46.2°
N3C7C6C150.6°0.0°
N3C7C6H3180.0°180.0°
N3C7C6N2171.3°180.0°
C7N3C8H4179.3°180.0°
C14C15C6C7179.5°179.9°
C14C15C6N27.8°0.1°
C15C6C7N2171.9°180.0°
C15C6N2C582.8°147.2°
C15C6C7H3179.4°180.0°
C15C6N2H2297.2°32.8°
C6C15C14H233.7°0.0°
C7C6N2C589.1°32.8°
C7C6N2H2290.9°147.2°
C6N2C5H22180.0°180.0°
C6N2C5C4165.6°174.9°
C6N2C5O19.2°5.1°
N2C6C7H38.7°0.0°
N2C5C4O1174.8°180.0°
N2C5C4C394.9°179.6°
N2C5C4C16143.0°60.0°
N2C5C4H224.9°59.8°
C5C4C3C16121.1°120.1°
C5C4C3H2119.8°119.8°
C5C4C3N168.7°69.7°
C5C4C16H2118.0°119.8°
C5C4C16C1776.0°76.8°
C5C4C16C2197.4°103.2°
C5C4C3H2051.3°170.6°
C5C4C3H21171.2°50.0°
C4C5N2H2214.4°5.1°
O1C5C4C379.9°0.5°
O1C5C4C1642.2°120.0°
O1C5C4H2160.3°120.2°
O1C5N2H22170.8°174.9°
C4C3N1H20120.1°119.8°
C4C3N1H21120.1°119.7°
C3C4C16H2119.0°120.1°
C4C3N1C2162.0°165.3°
C4C3N1C2267.7°71.3°
C3C4C16C17161.0°163.1°
C3C4C16C2125.6°16.9°
C4C3H20H21119.9°120.5°
N1C3C4C1652.3°50.4°
C3N1C2C22129.0°123.0°
C3N1C2C1132.5°171.0°
C3N1C22C2151.7°52.5°
N1C3C4H2171.5°170.6°
C3N1C22H11172.2°172.7°
C3N1C22H1268.6°67.8°
C3N1C2H1412.2°51.0°
C3N1C2H15107.2°69.0°
N1C3H20H21119.9°120.5°
C4C16C17C21173.5°180.0°
C4C16C17C18168.9°179.8°
C4C16C21C2212.2°0.4°
C4C16C21C20169.0°179.8°
C4C16C17H911.1°0.2°
C16C4C3H20172.4°69.3°
C16C4C3H2167.7°170.1°
CNC1H16180.0°180.0°
CNC1C2163.0°180.0°
CNC1O11.8°0.0°
NCH17H18120.0°120.0°
NCH17H19120.0°120.0°
NCH18H19120.0°120.0°
NC1C2N168.8°180.0°
NC1C2O174.9°180.0°
NC1C2H1451.5°60.0°
NC1C2H15170.9°60.0°
C1NCH17180.0°180.0°
C1NCH1860.0°60.0°
C1NCH1960.0°60.0°
N1C2C1H14120.3°120.0°
N1C2C1H15120.3°120.0°
N1C2C1O106.1°0.0°
C2N1C22C21177.1°176.0°
C2N1C22H1156.6°63.8°
C2N1C22H1262.6°55.6°
N1C2H14H15119.1°120.0°
C2N1C3H2042.0°75.0°
C2N1C3H2177.9°45.6°
C1C2N1C2298.6°66.1°
C1C2H14H15119.1°120.0°
C2C1NH1617.0°0.0°
N1C22C21C1624.2°17.5°
N1C22C21H11120.4°120.2°
N1C22C21H12120.4°120.3°
N1C22C21C20157.0°162.7°
N1C22H11H12118.8°119.5°
C22N1C2H14141.1°173.9°
C22N1C2H1521.8°53.9°
C22N1C3H20172.2°48.5°
C22N1C3H2152.3°169.0°
C16C17C18H9180.0°180.0°
C17C16C21C22174.3°179.6°
C17C16C21C204.5°0.2°
C16C17C18CL177.7°180.0°
C16C17C18C191.3°0.0°
C17C16C4H242.0°43.0°
C21C16C17C184.5°0.2°
C16C21C22C20178.8°179.8°
C16C21C20C191.2°0.1°
C21C16C4H2144.6°137.0°
C21C16C17H9175.4°179.8°
C16C21C20H10178.7°179.8°
C16C21C22H11144.6°137.7°
C16C21C22H1296.2°102.8°
OC1C2H14133.6°120.0°
OC1C2H1514.2°120.0°
OC1NH16168.2°180.0°
C17C18CLC19179.0°180.0°
C17C18C19C202.0°0.1°
C17C18C19H13178.0°179.8°
C22C21C20C19177.6°179.7°
C22C21C20H102.4°0.3°
C21C22H11H12118.8°119.5°
C21C20C19C182.0°0.1°
C21C20C19H10180.0°179.9°
C20C21C22H1136.6°42.5°
C20C21C22H1282.6°77.0°
C21C20C19H13178.0°179.9°
CLC18C19C20179.1°179.9°
CLC18C17H92.4°0.1°
CLC18C19H131.0°0.2°
C18C19C20H13180.0°179.9°
C19C18C17H9178.7°180.0°
C18C19C20H10178.0°180.0°
H2C4C3H2068.5°50.8°
H2C4C3H2151.4°69.8°
H5C10C11H240.5°0.1°
H6C13H7H8120.0°120.0°
H10C20C19H132.0°0.1°
H16NCH170.0°0.0°
H16NCH18120.0°120.0°
H16NCH19120.0°120.0°
H17CH18H19120.0°120.0°

226707

PDB entries from 2024-10-30

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