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O5I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.51Å1.51Å
C1N1sing1.35Å1.33Å
C1O1doub1.21Å1.28Å
N1C3sing1.46Å1.45Å
C4C3sing1.53Å1.52Å
C4C20sing1.53Å1.53Å
C4C5sing1.53Å1.53Å
C19C20sing1.53Å1.52Å
C19N2sing1.47Å1.47Å
C6C5sing1.53Å1.52Å
C6N2sing1.47Å1.48Å
N2C7sing1.35Å1.36Å
C15C16sing1.55Å1.53Å
C15C8sing1.54Å1.55Å
C7O2doub1.21Å1.24Å
C7C8sing1.51Å1.55Å
C16C17sing1.55Å1.52Å
C8N3sing1.47Å1.50Å
C8C18sing1.54Å1.55Å
N3C9sing1.40Å1.40Å
C18C17sing1.54Å1.50Å
C9C10doub1.39Å1.39ÅAromatic
C9C14sing1.39Å1.40ÅAromatic
C10C11sing1.38Å1.38ÅAromatic
C14C13doub1.38Å1.38ÅAromatic
C11C12doub1.38Å1.37ÅAromatic
C13C12sing1.38Å1.38ÅAromatic
C12CL2sing1.74Å1.74Å
C2H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
N3H4sing0.97Å1.00Å
C4H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C10H8sing1.08Å1.08Å
C11H9sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C14H11sing1.08Å1.08Å
C15H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C17H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H19sing1.09Å1.10Å
C19H20sing1.09Å1.10Å
C19H21sing1.09Å1.10Å
N1H22sing0.97Å1.00Å
C3H23sing1.09Å1.10Å
C3H24sing1.09Å1.10Å
C6H25sing1.09Å1.10Å
C6H26sing1.09Å1.10Å
C20H27sing1.09Å1.10Å
C20H28sing1.09Å1.10Å
C2CL1sing1.80Å1.90Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1N1108.8°120.0°
C2C1O1126.0°120.0°
C1C2H1113.9°109.5°
C1C2H2113.9°109.4°
C1C2CL190.7°109.4°
N1C1O1125.1°120.0°
C1N1C3125.0°120.0°
C1N1H22117.5°119.9°
N1C3C4106.3°109.5°
C3N1H22117.5°120.0°
N1C3H23110.2°109.4°
N1C3H24110.3°109.5°
C3C4C20110.4°109.4°
C3C4C5114.0°109.4°
C3C4H5108.2°109.4°
C4C3H23110.3°109.5°
C4C3H24110.2°109.5°
C20C4C5107.8°109.6°
C4C20C19110.8°109.3°
C20C4H5108.2°109.5°
C4C20H27109.2°109.5°
C4C20H28109.2°109.6°
C4C5C6111.3°109.3°
C5C4H5108.1°109.5°
C4C5H6109.0°109.5°
C4C5H7109.0°109.5°
C20C19N2110.0°108.8°
C20C19H20109.4°109.6°
C20C19H21109.4°109.6°
C19C20H27109.1°109.5°
C19C20H28109.1°109.5°
C19N2C6112.8°118.7°
C19N2C7119.0°120.6°
N2C19H20109.4°109.6°
N2C19H21109.4°109.6°
C5C6N2111.4°108.8°
C6C5H6109.0°109.5°
C6C5H7109.0°109.5°
C5C6H25109.0°109.6°
C5C6H26109.0°109.6°
C6N2C7128.2°120.7°
N2C6H25109.0°109.6°
N2C6H26109.0°109.6°
N2C7O2121.5°120.0°
N2C7C8120.2°120.0°
C16C15C8106.7°104.2°
C15C16C17106.9°102.7°
C16C15H12110.2°110.5°
C16C15H13110.2°110.5°
C15C16H14110.1°110.8°
C15C16H15110.1°110.8°
C15C8C7112.5°110.0°
C15C8N3110.2°110.0°
C15C8C18102.4°106.6°
C8C15H12110.2°110.5°
C8C15H13110.1°110.5°
O2C7C8118.3°120.0°
C7C8N3113.6°110.0°
C7C8C18109.0°110.0°
C16C17C18104.0°104.2°
C17C16H14110.1°110.8°
C17C16H15110.1°110.7°
C16C17H16110.8°110.5°
C16C17H17110.8°110.5°
N3C8C18108.5°110.1°
C8N3C9125.6°120.0°
C8N3H4105.3°120.0°
C8C18C17104.8°106.6°
C8C18H18110.6°110.0°
C8C18H19110.6°110.0°
N3C9C10118.8°120.1°
N3C9C14122.4°120.1°
C9N3H4105.3°120.0°
C18C17H16110.8°110.5°
C18C17H17110.8°110.6°
C17C18H18110.7°110.1°
C17C18H19110.7°110.0°
C10C9C14118.9°119.8°
C9C10C11120.5°120.0°
C9C10H8119.8°120.0°
C9C14C13120.4°119.9°
C9C14H11119.8°120.0°
C10C11C12119.4°120.0°
C11C10H8119.7°120.0°
C10C11H9120.3°120.0°
C14C13C12119.5°120.1°
C14C13H10120.2°120.0°
C13C14H11119.8°120.1°
C11C12C13121.4°120.1°
C11C12CL2119.5°119.9°
C12C11H9120.3°119.9°
C13C12CL2119.1°120.0°
C12C13H10120.3°119.9°
H1C2H2109.5°109.5°
H1C2CL1113.9°109.5°
H2C2CL1113.9°109.5°
H6C5H7109.4°109.5°
H12C15H13109.5°110.5°
H14C16H15109.4°110.8°
H16C17H17109.5°110.5°
H18C18H19109.4°110.0°
H20C19H21109.4°109.7°
H23C3H24109.5°109.5°
H25C6H26109.5°109.7°
H27C20H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1N1O1176.8°179.7°
C2C1N1C3172.4°179.8°
C1C2H1H2128.9°120.0°
C1C2H1CL1102.3°120.0°
C1C2H2CL1102.3°119.9°
C2C1N1H227.6°0.2°
C1N1C3H22180.0°180.0°
C1N1C3C4171.2°180.0°
N1C1C2H150.5°60.0°
N1C1C2H2177.0°60.0°
C1N1C3H2351.7°60.0°
C1N1C3H2469.4°60.0°
N1C1C2CL166.3°180.0°
O1C1N1C34.4°0.0°
O1C1C2H1132.8°120.2°
O1C1C2H26.2°119.7°
O1C1N1H22175.6°180.0°
O1C1C2CL1110.5°0.2°
N1C3C4H23119.5°119.9°
N1C3C4H24119.5°120.1°
N1C3C4C2070.1°175.0°
N1C3C4C5168.4°65.0°
N1C3C4H548.0°55.0°
N1C3H23H24121.5°120.0°
C3C4C20C5125.1°120.0°
C3C4C20H5118.2°119.9°
C3C4C5H5120.4°120.0°
C3C4C20C19175.8°178.7°
C3C4C5C6179.4°178.6°
C3C4C5H660.3°58.7°
C3C4C5H759.1°61.4°
C4C3N1H228.8°0.0°
C4C3H23H24121.5°120.0°
C3C4C20H2764.0°61.4°
C3C4C20H2855.6°58.7°
C20C4C5H5116.7°120.1°
C4C20C19H27120.2°120.0°
C4C20C19H28120.2°120.0°
C4C20C19N259.4°54.6°
C20C4C5C656.5°61.4°
C20C4C5H6176.8°178.6°
C20C4C5H763.8°58.6°
C4C20C19H20179.5°65.2°
C4C20C19H2160.7°174.4°
C20C4C3H23170.4°55.0°
C20C4C3H2449.4°65.0°
C4C20H27H28119.4°120.1°
C5C4C20C1959.1°61.4°
C4C5C6H6120.3°120.0°
C4C5C6H7120.3°119.9°
C4C5C6N254.8°54.6°
C4C5H6H7119.2°120.0°
C5C4C3H2348.9°175.1°
C5C4C3H2472.1°55.1°
C4C5C6H2565.5°65.1°
C4C5C6H26175.0°174.4°
C5C4C20H2761.1°58.6°
C5C4C20H28179.3°178.7°
C20C19N2H20120.1°119.8°
C20C19N2H21120.1°119.8°
C20C19N2C656.7°53.6°
C20C19N2C7124.1°126.4°
C19C20C4H557.6°58.7°
C20C19H20H21119.8°120.3°
C19C20H27H28119.4°120.1°
C19N2C6C554.7°53.6°
C19N2C6C7179.1°180.0°
C19N2C7O21.8°5.6°
C19N2C7C8177.0°174.3°
N2C19H20H21119.8°120.4°
C19N2C6H2565.6°66.1°
C19N2C6H26175.0°173.4°
N2C19C20H2760.8°65.3°
N2C19C20H28179.6°174.6°
C5C6N2H25120.3°119.8°
C5C6N2H26120.3°119.8°
C5C6N2C7126.3°126.4°
C6C5C4H560.2°58.7°
C6C5H6H7119.1°120.1°
C5C6H25H26119.1°120.4°
C6N2C7O2177.2°174.4°
C6N2C7C83.9°5.7°
N2C6C5H6175.1°174.6°
N2C6C5H765.5°65.3°
C6N2C19H20176.8°66.1°
C6N2C19H2163.4°173.4°
N2C6H25H26119.1°120.4°
N2C7C8C1573.0°163.3°
N2C7O2C8178.9°179.9°
N2C7C8N353.1°41.9°
N2C7C8C18174.3°79.5°
C7N2C19H204.0°113.8°
C7N2C19H21115.8°6.6°
C7N2C6H25113.5°113.9°
C7N2C6H266.0°6.6°
C16C15C8H12119.6°118.8°
C16C15C8H13119.6°118.7°
C16C15C8C7138.2°142.9°
C15C16C17H14119.6°118.3°
C15C16C17H15119.6°118.3°
C16C15C8N393.9°95.8°
C16C15C8C1821.3°23.6°
C15C16C17C1824.6°37.9°
C16C15H12H13121.3°122.6°
C15C16H14H15121.2°123.4°
C15C16C17H16143.8°80.7°
C15C16C17H1794.5°156.7°
C15C8C7O2108.2°16.7°
C15C8C7N3126.1°121.4°
C15C8C7C18112.8°117.2°
C8C15C16C171.5°37.9°
C15C8N3C18111.3°117.2°
C15C8N3C9166.2°65.5°
C15C8C18C1737.0°0.0°
C15C8N3H471.7°114.4°
C8C15H12H13121.3°122.6°
C8C15C16H14118.1°156.3°
C8C15C16H15121.2°80.3°
C15C8C18H18156.2°119.3°
C15C8C18H1982.3°119.3°
O2C7C8N3125.8°138.0°
O2C7C8C184.6°100.5°
C7C8N3C18121.4°121.4°
C7C8N3C938.9°55.8°
C7C8C18C17156.2°119.3°
C7C8N3H4161.1°124.2°
C7C8C15H12102.3°24.1°
C7C8C15H1318.6°98.4°
C7C8C18H1884.5°121.4°
C7C8C18H1937.0°0.0°
C16C17C18C838.5°23.6°
C16C17C18H16119.1°118.7°
C16C17C18H17119.1°118.7°
C17C16C15H12118.0°80.8°
C17C16C15H13121.1°156.6°
C17C16H14H15121.2°123.3°
C16C17H16H17122.5°122.6°
C16C17C18H18157.8°95.7°
C16C17C18H1980.8°142.9°
C8N3C9H4122.2°180.0°
N3C8C18C1779.5°119.4°
C8N3C9C10162.4°174.1°
C8N3C9C1417.5°6.2°
N3C8C15H1225.6°145.5°
N3C8C15H13146.5°22.9°
N3C8C18H1839.7°0.0°
N3C8C18H19161.2°121.4°
C18C8N3C982.5°177.2°
C8C18C17H18119.3°119.3°
C8C18C17H19119.3°119.3°
C18C8N3H439.6°2.8°
C18C8C15H12140.9°95.2°
C18C8C15H1398.2°142.3°
C8C18C17H16157.6°95.0°
C8C18C17H1780.6°142.4°
C8C18H18H19122.2°121.4°
N3C9C10C14179.9°179.7°
N3C9C10C11179.5°180.0°
N3C9C14C13179.6°179.7°
N3C9C10H80.5°0.0°
N3C9C14H110.5°0.0°
C18C17C16H1495.0°156.3°
C18C17C16H15144.3°80.3°
C18C17H16H17122.5°122.7°
C17C18H18H19122.2°121.4°
C9C10C11H8180.0°179.9°
C10C9C14C130.3°0.6°
C9C10C11C120.0°0.0°
C10C9N3H475.5°6.0°
C9C10C11H9180.0°180.0°
C10C9C14H11179.6°179.7°
C14C9C10C110.4°0.3°
C9C14C13H11180.0°179.7°
C9C14C13C120.2°0.6°
C14C9N3H4104.6°173.8°
C14C9C10H8179.5°179.7°
C9C14C13H10179.8°179.7°
C10C11C12H9180.0°180.0°
C10C11C12C130.5°0.1°
C10C11C12CL2179.3°180.0°
C14C13C12C110.6°0.4°
C14C13C12H10180.0°179.7°
C14C13C12CL2179.2°179.7°
C11C12C13CL2179.8°179.9°
C12C11C10H8179.9°180.0°
C11C12C13H10179.4°180.0°
C13C12C11H9179.5°180.0°
C12C13C14H11179.9°179.7°
CL2C12C11H90.7°0.0°
CL2C12C13H100.8°0.0°
H1C2H2CL1128.9°120.0°
H5C4C5H660.1°61.3°
H5C4C5H7179.5°178.7°
H5C4C3H2371.5°64.9°
H5C4C3H24167.5°175.1°
H5C4C20H27177.7°178.7°
H5C4C20H2862.6°61.3°
H6C5C6H2554.8°54.9°
H6C5C6H2664.7°65.6°
H7C5C6H25174.2°174.9°
H7C5C6H2654.7°54.5°
H8C10C11H90.1°0.1°
H10C13C14H110.1°0.0°
H12C15C16H14122.4°37.5°
H12C15C16H151.6°160.9°
H13C15C16H141.5°85.0°
H13C15C16H15119.3°38.4°
H14C16C17H1624.2°37.6°
H14C16C17H17145.9°84.9°
H15C16C17H1696.6°161.0°
H15C16C17H1725.1°38.4°
H16C17C18H1883.1°145.7°
H16C17C18H1938.3°24.3°
H17C17C18H1838.6°23.1°
H17C17C18H19160.1°98.4°
H20C19C20H2759.3°174.8°
H20C19C20H2860.3°54.8°
H21C19C20H27179.1°54.4°
H21C19C20H2859.6°65.6°
H22N1C3H23128.3°120.0°
H22N1C3H24110.7°120.0°

226262

PDB entries from 2024-10-16

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