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XB1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20O19sing1.43Å1.43Å
C20C21sing1.53Å1.55Å
O19C18sing1.43Å1.42Å
C21N16sing1.47Å1.49Å
C18C17sing1.53Å1.54Å
N16C17sing1.47Å1.49Å
N16C15sing1.47Å1.45Å
C15C14sing1.53Å1.54Å
C14N13sing1.47Å1.48Å
N13C12sing1.35Å1.45Å
C25N24sing1.46Å1.46Å
S22C12doub1.71Å1.94Å
N11C12sing1.35Å1.50Å
N11C10sing1.47Å1.49Å
N24C04sing1.38Å1.42Å
N24C26sing1.34Å1.38Å
N05C04sing1.36Å1.36ÅAromatic
N05C06sing1.37Å1.45ÅAromatic
C10C09sing1.53Å1.59Å
O29C26doub1.22Å1.28Å
C04C03doub1.39Å1.48ÅAromatic
C26N27sing1.34Å1.39Å
S07C06sing1.76Å1.80Å
S07C08sing1.81Å1.90Å
C06N23doub1.31Å1.33ÅAromatic
C09C08sing1.53Å1.57Å
C03N23sing1.36Å1.43ÅAromatic
C03C02sing1.46Å1.37Å
N27C02sing1.35Å1.43Å
N27C28sing1.47Å1.44Å
C02O01doub1.22Å1.38Å
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C15H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C17H5sing1.09Å1.10Å
C17H6sing1.09Å1.10Å
C20H7sing1.09Å1.10Å
C20H8sing1.09Å1.10Å
C21H9sing1.09Å1.10Å
C21H10sing1.09Å1.10Å
C28H11sing1.09Å1.10Å
C28H12sing1.09Å1.10Å
C28H13sing1.09Å1.10Å
C08H14sing1.09Å1.10Å
C08H15sing1.09Å1.10Å
C09H16sing1.09Å1.10Å
C09H17sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C25H23sing1.09Å1.10Å
C25H24sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
N05H26sing0.97Å1.00Å
N11H27sing0.97Å1.00Å
N13H29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O19C20C21112.3°109.3°
C20O19C18115.0°113.7°
O19C20H7108.7°109.5°
O19C20H8108.8°109.5°
C20C21N16111.7°109.3°
C21C20H7108.8°109.6°
C21C20H8108.8°109.5°
C20C21H9108.9°109.6°
C20C21H10108.9°109.5°
O19C18C17112.5°109.3°
O19C18H21108.7°109.5°
O19C18H22108.7°109.6°
C21N16C17107.6°110.7°
C21N16C15107.1°111.0°
N16C21H9108.9°109.5°
N16C21H10108.9°109.5°
C18C17N16111.5°109.3°
C18C17H5109.0°109.5°
C18C17H6109.0°109.5°
C17C18H21108.7°109.5°
C17C18H22108.7°109.6°
C17N16C15108.2°111.0°
N16C17H5109.0°109.5°
N16C17H6109.0°109.5°
N16C15C14109.2°109.5°
N16C15H3109.5°109.5°
N16C15H4109.5°109.5°
C15C14N13109.3°109.4°
C14C15H3109.5°109.5°
C14C15H4109.5°109.5°
C15C14H19109.5°109.5°
C15C14H20109.5°109.4°
C14N13C12113.9°120.0°
N13C14H19109.5°109.5°
N13C14H20109.5°109.5°
C14N13H29123.0°120.1°
N13C12S22105.1°120.0°
N13C12N11113.3°120.0°
C12N13H29123.1°120.0°
C25N24C04121.5°119.6°
C25N24C26122.1°119.6°
N24C25H23109.5°109.5°
N24C25H24109.4°109.5°
N24C25H25109.5°109.5°
S22C12N11108.8°120.0°
C12N11C10118.4°120.0°
C12N11H27120.8°120.0°
N11C10C09115.8°109.5°
N11C10H1107.9°109.5°
N11C10H2107.9°109.4°
C10N11H27120.8°120.0°
C04N24C26116.5°120.8°
N24C04N05128.8°134.2°
N24C04C03119.6°119.2°
N24C26O29117.3°118.9°
N24C26N27125.3°122.3°
C04N05C06101.4°107.6°
N05C04C03111.6°106.6°
C04N05H26129.3°126.2°
N05C06S07119.6°125.4°
N05C06N23116.3°109.3°
C06N05H26129.3°126.2°
C10C09C08117.0°109.5°
C09C10H1107.9°109.5°
C09C10H2107.9°109.5°
C10C09H16107.6°109.5°
C10C09H17107.6°109.5°
O29C26N27117.5°118.9°
C04C03N23105.7°107.5°
C04C03C02120.9°118.4°
C26N27C02118.8°120.9°
C26N27C28117.9°119.6°
C06S07C08107.7°100.0°
S07C06N23124.0°125.3°
S07C08C09115.5°109.5°
S07C08H14107.9°109.5°
S07C08H15107.9°109.5°
C06N23C03105.1°109.0°
C09C08H14107.9°109.4°
C09C08H15108.0°109.4°
C08C09H16107.5°109.4°
C08C09H17107.6°109.5°
N23C03C02133.5°134.1°
C03C02N27119.1°118.5°
C03C02O01126.7°120.7°
C02N27C28123.4°119.5°
N27C02O01114.2°120.8°
N27C28H11109.5°109.4°
N27C28H12109.5°109.5°
N27C28H13109.4°109.4°
H1C10H2109.5°109.5°
H3C15H4109.5°109.4°
H5C17H6109.4°109.5°
H7C20H8109.5°109.5°
H9C21H10109.5°109.5°
H11C28H12109.5°109.5°
H11C28H13109.5°109.5°
H12C28H13109.5°109.5°
H14C08H15109.5°109.5°
H16C09H17109.4°109.4°
H19C14H20109.5°109.5°
H21C18H22109.4°109.5°
H23C25H24109.5°109.4°
H23C25H25109.5°109.4°
H24C25H25109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O19C20C21H7120.4°120.0°
O19C20C21H8120.4°119.9°
O19C20C21N162.3°56.8°
C20O19C18C1748.2°58.6°
O19C20H7H8118.7°120.1°
O19C20C21H9122.6°176.8°
O19C20C21H10118.0°63.1°
C20O19C18H2172.3°61.3°
C20O19C18H22168.6°178.7°
C21C20O19C1851.6°58.6°
C20C21N16H9120.3°120.0°
C20C21N16H10120.3°119.9°
C20C21N16C1755.3°58.5°
C20C21N16C15171.5°177.7°
C21C20H7H8118.7°120.1°
C20C21H9H10119.0°120.1°
O19C18C17H21120.5°119.9°
O19C18C17H22120.5°120.0°
O19C18C17N168.7°56.9°
O19C18C17H5111.6°63.1°
O19C18C17H6129.0°176.8°
C18O19C20H7172.0°178.6°
C18O19C20H868.8°61.3°
O19C18H21H22118.6°120.1°
C21N16C17C1858.9°58.6°
C21N16C17C15115.4°123.8°
C21N16C15C1489.8°170.0°
C21N16C15H330.2°70.0°
C21N16C15H4150.3°50.0°
C21N16C17H561.5°61.4°
C21N16C17H6179.2°178.6°
N16C21C20H7118.1°176.8°
N16C21C20H8122.7°63.1°
N16C21H9H10119.0°120.0°
C18C17N16H5120.3°120.0°
C18C17N16H6120.3°120.0°
C18C17N16C15174.2°177.6°
C18C17H5H6119.1°120.1°
C17C18H21H22118.6°120.1°
C17N16C15C14154.5°66.4°
C17N16C15H385.5°53.7°
C17N16C15H434.6°173.6°
N16C17H5H6119.1°120.0°
C17N16C21H9175.6°178.6°
C17N16C21H1065.0°61.4°
N16C17C18H21129.1°63.0°
N16C17C18H22111.8°176.9°
N16C15C14H3119.9°120.1°
N16C15C14H4119.9°120.0°
N16C15C14N1350.7°180.0°
N16C15H3H4120.1°120.0°
C15N16C17H553.9°62.4°
C15N16C17H665.5°57.6°
C15N16C21H968.2°57.7°
C15N16C21H1051.1°62.4°
N16C15C14H1969.3°60.0°
N16C15C14H20170.7°60.0°
C15C14N13H19120.0°120.0°
C15C14N13H20120.0°120.0°
C15C14N13C12136.2°180.0°
C14C15H3H4120.1°119.9°
C15C14H19H20120.1°120.0°
C15C14N13H2943.8°0.0°
C14N13C12H29180.0°180.0°
C14N13C12S2239.3°0.0°
C14N13C12N11158.0°180.0°
N13C14C15H3170.6°59.9°
N13C14C15H469.2°60.0°
N13C14H19H20120.1°120.0°
N13C12S22N11121.6°180.0°
N13C12N11C10101.3°180.0°
C12N13C14H19103.9°60.0°
C12N13C14H2016.2°60.1°
N13C12N11H2778.7°0.0°
C25N24C04C26178.9°179.9°
C25N24C04N050.3°0.0°
C25N24C26O290.7°0.3°
C25N24C04C03179.7°180.0°
C25N24C26N27179.6°180.0°
N24C25H23H24120.0°120.0°
N24C25H23H25120.0°120.1°
N24C25H24H25120.0°120.1°
S22C12N11C10142.2°0.0°
S22C12N11H2737.8°180.0°
S22C12N13H29140.6°180.0°
C12N11C10H27180.0°179.9°
C12N11C10C0990.0°180.0°
C12N11C10H131.0°60.0°
C12N11C10H2149.2°60.0°
N11C12N13H2922.0°0.0°
N11C10C09H1120.9°120.0°
N11C10C09H2120.9°119.9°
N11C10C09C0843.4°180.0°
N11C10H1H2117.2°120.0°
N11C10C09H1677.7°60.0°
N11C10C09H17164.5°60.0°
N24C04N05C03180.0°180.0°
N24C04N05C06179.8°180.0°
C04N24C26O29179.6°179.8°
C04N24C26N270.8°0.1°
N24C04C03N23179.6°180.0°
N24C04C03C020.6°0.0°
C04N24C25H23180.0°90.0°
C04N24C25H2460.0°150.0°
C04N24C25H2560.0°30.0°
N24C04N05H260.2°0.1°
C26N24C04N05179.2°180.0°
N24C26O29N27179.7°179.7°
C26N24C04C030.8°0.1°
N24C26N27C020.5°0.0°
N24C26N27C28179.1°180.0°
C26N24C25H231.1°90.0°
C26N24C25H24118.9°30.0°
C26N24C25H25121.2°150.0°
C04N05C06H26180.0°180.0°
C04N05C06S07178.8°180.0°
C04N05C06N230.8°0.0°
N05C04C03N230.4°0.0°
N05C04C03C02179.4°179.9°
C06N05C04C030.2°0.0°
N05C06S07N23177.8°179.9°
N05C06S07C08103.9°180.0°
N05C06N23C031.1°0.0°
C10C09C08S0773.1°180.0°
C10C09C08H16121.1°120.0°
C10C09C08H17121.1°120.1°
C09C10H1H2117.1°120.0°
C10C09C08H14166.0°60.0°
C10C09C08H1547.8°60.0°
C10C09H16H17116.6°120.0°
C09C10N11H2790.0°0.1°
O29C26N27C02179.8°179.7°
O29C26N27C280.5°0.3°
C04C03N23C060.8°0.0°
C04C03N23C02178.8°180.0°
C04C03C02N270.4°0.1°
C04C03C02O01179.8°180.0°
C03C04N05H26179.8°180.0°
C26N27C02C030.3°0.1°
C26N27C02C28179.6°180.0°
C26N27C02O01179.8°180.0°
C26N27C28H11180.0°90.0°
C26N27C28H1260.0°150.0°
C26N27C28H1360.0°30.0°
C06S07C08C0925.4°180.0°
S07C06N23C03178.9°180.0°
C06S07C08H1495.5°60.0°
C06S07C08H15146.3°60.0°
S07C06N05H261.2°0.0°
C08S07C06N2373.9°0.1°
S07C08C09H14120.9°120.0°
S07C08C09H15120.9°120.0°
S07C08H14H15117.2°120.0°
S07C08C09H16165.8°60.0°
S07C08C09H1748.0°60.0°
C06N23C03C02179.7°179.9°
N23C06N05H26179.1°180.0°
C08C09C10H1164.3°60.0°
C08C09C10H277.5°60.0°
C09C08H14H15117.2°120.0°
C08C09H16H17116.6°120.0°
N23C03C02N27179.0°179.9°
N23C03C02O011.5°0.1°
C03C02N27O01179.5°179.9°
C03C02N27C28179.3°179.9°
C02N27C28H110.4°90.1°
C02N27C28H12120.4°30.0°
C02N27C28H13119.6°150.0°
C28N27C02O010.2°0.0°
N27C28H11H12120.0°120.0°
N27C28H11H13120.0°119.9°
N27C28H12H13120.0°119.9°
H1C10C09H1643.2°60.0°
H1C10C09H1774.6°180.0°
H1C10N11H27149.0°120.0°
H2C10C09H16161.4°180.0°
H2C10C09H1743.6°60.0°
H2C10N11H2730.9°120.0°
H3C15C14H1950.7°60.1°
H3C15C14H2069.4°179.9°
H4C15C14H19170.8°180.0°
H4C15C14H2050.7°60.0°
H5C17C18H218.8°177.0°
H5C17C18H22127.9°56.9°
H6C17C18H21110.5°57.0°
H6C17C18H228.5°63.1°
H7C20C21H92.2°63.2°
H7C20C21H10121.6°56.9°
H8C20C21H9117.0°56.9°
H8C20C21H102.4°177.0°
H11C28H12H13120.0°120.0°
H14C08C09H1644.9°180.0°
H14C08C09H1772.8°60.0°
H15C08C09H1673.3°60.0°
H15C08C09H17168.9°180.0°
H19C14N13H2976.1°120.1°
H20C14N13H29163.8°119.9°
H23C25H24H25120.0°119.9°

221716

PDB entries from 2024-06-26

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