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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N17C15sing1.35Å1.32Å
C15C14sing1.51Å1.51Å
C15O16doub1.21Å1.23Å
C14C5sing1.53Å1.52Å
C5C6sing1.51Å1.51Å
C5N4sing1.47Å1.46Å
CL9C8sing1.74Å1.73Å
C7C8doub1.38Å1.38ÅAromatic
C7C6sing1.38Å1.39ÅAromatic
C8C10sing1.39Å1.38ÅAromatic
C6C13doub1.38Å1.39ÅAromatic
F11C10sing1.35Å1.35Å
C10C12doub1.38Å1.37ÅAromatic
N4C2sing1.35Å1.34Å
C13C12sing1.38Å1.38ÅAromatic
C18N19sing1.34Å1.35ÅAromatic
C18C1doub1.38Å1.38ÅAromatic
C2C1sing1.47Å1.48Å
C2O3doub1.22Å1.23Å
N19C20sing1.38Å1.37ÅAromatic
C1C30sing1.47Å1.44ÅAromatic
C20C30doub1.39Å1.37ÅAromatic
C20C21sing1.41Å1.41Å
C30C31sing1.48Å1.45Å
F33C32sing1.35Å1.36Å
C21C22doub1.36Å1.31Å
C22C23sing1.41Å1.48Å
C31C32doub1.40Å1.38ÅAromatic
C31C38sing1.40Å1.39ÅAromatic
C32C34sing1.38Å1.37ÅAromatic
N24C23sing1.35Å1.34Å
N24C25sing1.46Å1.46Å
C23O29doub1.22Å1.25Å
C38C37doub1.38Å1.38ÅAromatic
C34C35doub1.38Å1.38ÅAromatic
C25C26sing1.53Å1.51Å
C35C37sing1.39Å1.38ÅAromatic
C35CL36sing1.74Å1.74Å
C26O27sing1.43Å1.43Å
O27C28sing1.43Å1.44Å
C5H1sing1.09Å1.10Å
C7H2sing1.08Å1.08Å
C13H3sing1.08Å1.08Å
C21H4sing1.08Å1.08Å
C22H5sing1.08Å1.08Å
C26H6sing1.09Å1.10Å
C26H7sing1.09Å1.10Å
C28H8sing1.09Å1.10Å
C28H9sing1.09Å1.10Å
C28H10sing1.09Å1.10Å
N4H11sing0.97Å1.00Å
C12H12sing1.08Å1.08Å
C14H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
N17H15sing0.97Å1.00Å
N17H16sing0.97Å1.00Å
C18H17sing1.08Å1.08Å
N19H18sing0.97Å1.00Å
N24H19sing0.97Å1.00Å
C25H20sing1.09Å1.10Å
C25H21sing1.09Å1.10Å
C34H22sing1.08Å1.08Å
C37H23sing1.08Å1.08Å
C38H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N17C15C14116.2°120.0°
N17C15O16123.3°120.0°
C15N17H15120.0°120.0°
C15N17H16120.0°120.0°
C14C15O16120.5°120.0°
C15C14C5111.3°109.5°
C15C14H13109.0°109.5°
C15C14H14109.0°109.4°
C14C5C6107.8°109.5°
C14C5N4109.1°109.5°
C14C5H1109.0°109.5°
C5C14H13109.0°109.5°
C5C14H14109.0°109.5°
C6C5N4112.0°109.5°
C5C6C7120.1°120.0°
C5C6C13120.5°119.9°
C6C5H1109.1°109.5°
C5N4C2120.6°120.0°
N4C5H1109.8°109.4°
C5N4H11119.7°120.0°
CL9C8C7119.6°120.1°
CL9C8C10120.6°120.0°
C8C7C6120.1°120.1°
C7C8C10119.8°119.9°
C8C7H2119.9°119.9°
C7C6C13119.1°120.0°
C6C7H2120.0°120.0°
C8C10F11119.5°120.0°
C8C10C12121.2°119.9°
C6C13C12121.1°120.0°
C6C13H3119.5°120.0°
F11C10C12119.2°120.1°
C10C12C13118.7°120.0°
C10C12H12120.6°120.0°
N4C2C1116.5°120.0°
N4C2O3122.2°120.0°
C2N4H11119.7°120.0°
C12C13H3119.4°120.0°
C13C12H12120.7°120.0°
N19C18C1108.7°109.3°
C18N19C20109.8°110.5°
N19C18H17125.7°125.4°
C18N19H18125.1°124.8°
C18C1C2127.6°126.8°
C18C1C30106.5°106.4°
C1C18H17125.6°125.4°
C1C2O3121.3°120.0°
C2C1C30125.8°126.8°
N19C20C30108.1°108.1°
N19C20C21126.4°126.0°
C20N19H18125.1°124.7°
C1C30C20106.9°105.7°
C1C30C31129.2°127.2°
C30C20C21125.5°126.0°
C20C30C31123.9°127.1°
C20C21C22129.2°120.0°
C20C21H4115.4°120.0°
C30C31C32121.9°120.2°
C30C31C38120.5°120.1°
F33C32C31117.9°120.1°
F33C32C34118.9°120.1°
C21C22C23123.3°120.0°
C22C21H4115.4°119.9°
C21C22H5118.4°119.9°
C22C23N24114.5°120.0°
C22C23O29122.8°120.0°
C23C22H5118.3°120.0°
C32C31C38117.7°119.7°
C31C32C34123.2°119.8°
C31C38C37120.8°119.9°
C31C38H24119.6°120.1°
C32C34C35117.3°120.1°
C32C34H22121.3°119.9°
C23N24C25123.0°120.0°
N24C23O29122.7°120.0°
C23N24H19118.5°120.0°
N24C25C26111.9°109.5°
C25N24H19118.5°120.0°
N24C25H20108.9°109.5°
N24C25H21108.9°109.5°
C38C37C35119.2°120.2°
C38C37H23120.4°119.9°
C37C38H24119.6°120.1°
C34C35C37121.9°120.3°
C34C35CL36119.2°119.9°
C35C34H22121.3°119.9°
C25C26O27108.6°109.4°
C25C26H6109.7°109.5°
C25C26H7109.7°109.5°
C26C25H20108.9°109.4°
C26C25H21108.9°109.5°
C37C35CL36118.9°119.8°
C35C37H23120.4°119.9°
C26O27C28114.1°114.0°
O27C26H6109.7°109.5°
O27C26H7109.7°109.5°
O27C28H8109.5°109.4°
O27C28H9109.5°109.5°
O27C28H10109.4°109.5°
H6C26H7109.4°109.5°
H8C28H9109.4°109.5°
H8C28H10109.5°109.5°
H9C28H10109.5°109.5°
H13C14H14109.5°109.5°
H15N17H16120.0°120.0°
H20C25H21109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N17C15C14O16178.5°180.0°
N17C15C14C5112.5°175.5°
N17C15C14H13127.3°64.5°
N17C15C14H147.8°55.5°
C15N17H15H16180.0°180.0°
C15C14C5H13120.2°120.0°
C15C14C5H14120.3°119.9°
C15C14C5C6178.7°174.3°
C15C14C5N459.4°65.7°
C15C14C5H160.4°54.3°
C15C14H13H14119.1°119.9°
C14C15N17H15178.5°0.1°
C14C15N17H161.5°180.0°
O16C15C14C566.1°4.5°
O16C15C14H1354.2°115.5°
O16C15C14H14173.7°124.5°
O16C15N17H150.0°180.0°
O16C15N17H16180.0°0.0°
C14C5C6N4120.0°120.0°
C14C5C6H1118.2°120.0°
C14C5N4H1119.4°120.0°
C14C5C6C791.1°80.2°
C14C5C6C1382.9°100.0°
C14C5N4C2144.7°152.2°
C14C5N4H1135.3°27.9°
C5C14H13H14119.2°120.0°
C6C5N4H1121.4°120.0°
C5C6C7C8173.6°180.0°
C5C6C7C13174.1°179.7°
C6C5N4C296.0°87.8°
C5C6C13C12173.5°179.7°
C5C6C7H26.5°0.0°
C5C6C13H36.5°0.0°
C6C5N4H1184.0°92.1°
C6C5C14H1358.5°65.7°
C6C5C14H1461.0°54.4°
N4C5C6C728.9°39.8°
N4C5C6C13157.1°140.0°
C5N4C2H11180.0°179.9°
C5N4C2C1175.4°175.3°
C5N4C2O31.9°4.7°
N4C5C14H13179.7°54.3°
N4C5C14H1460.9°174.4°
CL9C8C7C10178.0°179.9°
CL9C8C7C6178.1°179.9°
CL9C8C10F116.0°0.1°
CL9C8C10C12177.5°180.0°
CL9C8C7H21.9°0.0°
C8C7C6H2180.0°180.0°
C8C7C6C130.6°0.3°
C7C8C10F11176.0°179.9°
C7C8C10C120.4°0.0°
C6C7C8C100.0°0.0°
C7C6C13C120.6°0.6°
C7C6C5H1150.6°159.7°
C7C6C13H3179.4°179.7°
C8C10F11C12176.5°179.9°
C8C10C12C130.4°0.2°
C10C8C7H2179.9°179.9°
C8C10C12H12179.6°179.9°
C6C13C12C100.2°0.5°
C6C13C12H3180.0°179.7°
C13C6C5H135.3°20.0°
C13C6C7H2179.4°179.8°
C6C13C12H12179.8°179.8°
F11C10C12C13176.1°179.7°
F11C10C12H123.9°0.0°
C10C12C13H12180.0°179.7°
C10C12C13H3179.8°179.7°
N4C2C1C183.0°0.4°
N4C2C1O3177.3°180.0°
N4C2C1C30178.9°180.0°
C2N4C5H125.4°32.2°
N19C18C1H17180.0°179.8°
N19C18C1C2178.6°179.9°
C18N19C20H18180.0°180.0°
N19C18C1C300.3°0.4°
C18N19C20C301.5°0.0°
C18N19C20C21179.3°179.7°
C18C1C2C30178.1°179.6°
C18C1C2O3174.3°179.6°
C1C18N19C200.8°0.2°
C18C1C30C201.2°0.4°
C18C1C30C31177.0°179.6°
C1C18N19H18179.2°179.7°
C2C1C30C20179.6°179.9°
C2C1C30C311.4°0.1°
C1C2N4H114.6°4.7°
C2C1C18H171.3°0.1°
O3C2C1C303.8°0.0°
O3C2N4H11178.1°175.4°
N19C20C30C11.6°0.3°
N19C20C30C21179.2°179.7°
N19C20C30C31176.6°179.7°
N19C20C21C2212.9°0.4°
N19C20C21H4167.1°179.7°
C20N19C18H17179.2°180.0°
C1C30C20C31178.3°180.0°
C1C30C20C21179.1°180.0°
C1C30C31C3272.7°90.0°
C1C30C31C38107.6°90.2°
C30C1C18H17179.7°179.8°
C30C20C21C22166.2°180.0°
C20C30C31C32109.4°90.0°
C20C30C31C3870.3°89.7°
C30C20C21H413.8°0.1°
C30C20N19H18178.5°180.0°
C21C20C30C312.6°0.1°
C20C21C22H4180.0°179.9°
C20C21C22C23177.3°180.0°
C20C21C22H52.7°0.1°
C21C20N19H180.7°0.3°
C30C31C32F330.4°0.1°
C30C31C32C38179.7°179.8°
C30C31C32C34179.7°180.0°
C30C31C38C37179.7°179.7°
C30C31C38H240.3°0.1°
F33C32C31C34179.3°179.9°
F33C32C31C38179.3°179.7°
F33C32C34C35179.3°180.0°
F33C32C34H220.7°0.1°
C21C22C23H5180.0°179.9°
C21C22C23N24176.8°180.0°
C21C22C23O292.5°0.0°
C22C23N24O29179.3°180.0°
C22C23N24C25178.6°180.0°
C23C22C21H42.7°0.1°
C22C23N24H191.5°0.1°
C32C31C38C370.0°0.6°
C31C32C34C350.1°0.1°
C31C32C34H22180.0°180.0°
C32C31C38H24180.0°179.7°
C38C31C32C340.0°0.2°
C31C38C37H24180.0°179.7°
C31C38C37C350.0°0.6°
C31C38C37H23179.9°179.8°
C32C34C35H22180.0°179.9°
C32C34C35C370.1°0.0°
C32C34C35CL36180.0°180.0°
C23N24C25H19180.0°179.9°
C23N24C25C26115.2°180.0°
N24C23C22H53.2°0.1°
C23N24C25H20124.4°60.0°
C23N24C25H215.2°60.0°
C25N24C23O290.7°0.0°
N24C25C26H20120.4°120.0°
N24C25C26H21120.4°120.0°
N24C25C26O2734.4°65.0°
N24C25C26H685.5°175.0°
N24C25C26H7154.3°55.0°
N24C25H20H21118.9°120.0°
O29C23C22H5177.5°180.0°
O29C23N24H19179.3°180.0°
C38C37C35C340.1°0.3°
C38C37C35H23180.0°179.6°
C38C37C35CL36180.0°179.7°
C34C35C37CL36179.9°180.0°
C34C35C37H23179.9°179.9°
C25C26O27H6119.9°120.0°
C25C26O27H7119.9°120.0°
C25C26O27C28157.8°180.0°
C25C26H6H7120.4°120.0°
C26C25N24H1964.8°0.0°
C26C25H20H21118.9°120.0°
C37C35C34H22179.9°179.9°
C35C37C38H24180.0°179.7°
CL36C35C34H220.0°0.1°
CL36C35C37H230.0°0.1°
O27C26H6H7120.4°120.0°
C26O27C28H8180.0°180.0°
C26O27C28H960.0°60.0°
C26O27C28H1060.0°60.0°
O27C26C25H20154.8°175.0°
O27C26C25H2185.9°55.0°
C28O27C26H682.3°60.0°
C28O27C26H738.0°60.0°
O27C28H8H9120.0°119.9°
O27C28H8H10120.0°120.0°
O27C28H9H10120.0°120.0°
H1C5N4H11154.6°147.9°
H1C5C14H1359.8°174.3°
H1C5C14H14179.3°65.7°
H3C13C12H120.2°0.1°
H4C21C22H5177.3°180.0°
H6C26C25H2034.9°55.0°
H6C26C25H21154.2°65.0°
H7C26C25H2085.3°65.1°
H7C26C25H2134.0°175.0°
H8C28H9H10120.0°120.0°
H17C18N19H180.8°0.1°
H19N24C25H2055.6°120.0°
H19N24C25H21174.8°120.0°
H23C37C38H240.1°0.1°

225946

PDB entries from 2024-10-09

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