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JDS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C14sing1.53Å1.57Å
C15C16sing1.53Å1.52Å
C14N02sing1.47Å1.49Å
N02C09sing1.39Å1.42Å
C16C17sing1.53Å1.53Å
CL1C12sing1.74Å1.70Å
C17C18sing1.51Å1.48Å
C09C08doub1.41Å1.41ÅAromatic
C09C06sing1.39Å1.40ÅAromatic
C13C08sing1.40Å1.40ÅAromatic
C13C12doub1.36Å1.37ÅAromatic
C05C06sing1.51Å1.49Å
C05C04sing1.53Å1.52Å
C08C07sing1.42Å1.40ÅAromatic
C12C11sing1.39Å1.39ÅAromatic
C06C01doub1.38Å1.44ÅAromatic
C04C03sing1.53Å1.49Å
C18N03doub1.32Å1.34ÅAromatic
C18C19sing1.38Å1.40ÅAromatic
N03C22sing1.33Å1.34ÅAromatic
C07C10sing1.41Å1.43ÅAromatic
C07N01doub1.33Å1.38ÅAromatic
C11C10doub1.36Å1.37ÅAromatic
C01N01sing1.32Å1.32ÅAromatic
C01C02sing1.51Å1.51Å
C03C02sing1.53Å1.52Å
C19C20doub1.39Å1.39ÅAromatic
C22C23sing1.48Å1.48Å
C22C21doub1.40Å1.42ÅAromatic
C23N04doub1.29Å1.31Å
C20C21sing1.39Å1.38ÅAromatic
N04O01sing1.42Å1.33Å
C21O02sing1.36Å1.36Å
O01H1sing0.97Å0.95Å
C02H2sing1.09Å1.10Å
C02H3sing1.09Å1.10Å
N02H4sing1.01Å1.00Å
O02H5sing0.97Å0.95Å
C03H6sing1.09Å1.10Å
C03H7sing1.09Å1.10Å
C04H8sing1.09Å1.10Å
C04H9sing1.09Å1.10Å
C05H10sing1.09Å1.10Å
C05H11sing1.09Å1.10Å
C10H12sing1.08Å1.08Å
C11H13sing1.08Å1.08Å
C13H14sing1.08Å1.08Å
C14H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C17H21sing1.09Å1.10Å
C17H22sing1.09Å1.10Å
C19H23sing1.08Å1.08Å
C20H24sing1.08Å1.08Å
C23H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C14C15C16113.3°109.5°
C15C14N02116.4°109.5°
C15C14H15107.7°109.5°
C15C14H16107.7°109.5°
C14C15H17108.5°109.5°
C14C15H18108.5°109.4°
C15C16C17115.2°109.5°
C16C15H17108.5°109.5°
C16C15H18108.5°109.5°
C15C16H19108.0°109.5°
C15C16H20108.0°109.4°
C14N02C09129.3°111.0°
C14N02H4104.3°111.0°
N02C14H15107.7°109.4°
N02C14H16107.7°109.5°
N02C09C08116.8°120.8°
N02C09C06125.5°120.8°
C09N02H4104.3°111.0°
C16C17C18115.0°109.5°
C17C16H19108.0°109.5°
C17C16H20108.0°109.5°
C16C17H21108.1°109.5°
C16C17H22108.1°109.5°
CL1C12C13118.9°119.6°
CL1C12C11118.7°119.6°
C17C18N03116.1°119.4°
C17C18C19121.3°119.5°
C18C17H21108.1°109.5°
C18C17H22108.1°109.5°
C08C09C06117.6°118.5°
C09C08C13120.7°121.7°
C09C08C07119.2°118.6°
C09C06C05122.4°117.5°
C09C06C01119.7°119.7°
C08C13C12119.2°119.6°
C13C08C07120.2°119.8°
C08C13H14120.4°120.2°
C13C12C11122.4°120.8°
C12C13H14120.4°120.2°
C06C05C04119.6°110.6°
C05C06C01117.8°122.8°
C06C05H10106.9°109.3°
C06C05H11106.9°109.2°
C05C04C03113.0°108.3°
C05C04H8108.6°109.7°
C05C04H9108.6°109.7°
C04C05H10106.9°109.2°
C04C05H11106.9°109.3°
C08C07C10118.6°119.0°
C08C07N01123.0°119.8°
C12C11C10119.0°121.1°
C12C11H13120.5°119.4°
C06C01N01121.9°120.9°
C06C01C02119.6°122.1°
C04C03C02109.9°108.4°
C04C03H6109.4°109.7°
C04C03H7109.4°109.7°
C03C04H8108.6°109.7°
C03C04H9108.6°109.6°
N03C18C19122.6°121.1°
C18N03C22119.0°121.6°
C18C19C20119.0°119.5°
C18C19H23120.5°120.3°
N03C22C23116.6°119.7°
N03C22C21121.5°120.4°
C10C07N01118.5°121.2°
C07C10C11120.6°119.8°
C07C10H12119.7°120.1°
C07N01C01118.0°122.6°
C11C10H12119.7°120.1°
C10C11H13120.5°119.5°
N01C01C02116.2°117.0°
C01C02C03115.2°110.6°
C01C02H2108.0°109.2°
C01C02H3108.0°109.3°
C03C02H2108.0°109.3°
C03C02H3108.0°109.2°
C02C03H6109.4°109.7°
C02C03H7109.3°109.7°
C19C20C21118.4°118.5°
C20C19H23120.5°120.3°
C19C20H24120.8°120.7°
C23C22C21121.8°119.8°
C22C23N04135.7°120.1°
C22C23H25112.2°120.0°
C22C21C20119.6°118.9°
C22C21O02118.1°120.5°
C23N04O01119.5°120.0°
N04C23H25112.1°120.0°
C20C21O02122.4°120.5°
C21C20H24120.8°120.8°
N04O01H1109.5°114.0°
C21O02H5109.5°114.0°
H2C02H3109.5°109.2°
H6C03H7109.5°109.7°
H8C04H9109.5°109.7°
H10C05H11109.4°109.2°
H15C14H16109.4°109.5°
H17C15H18109.5°109.4°
H19C16H20109.5°109.5°
H21C17H22109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C14C15C16H17120.6°120.1°
C14C15C16H18120.5°120.0°
C15C14N02H15121.0°120.0°
C15C14N02H16121.0°120.0°
C15C14N02C0994.7°175.7°
C14C15C16C1712.0°180.0°
C15C14N02H4142.7°51.7°
C15C14H15H16116.9°120.1°
C14C15H17H18118.2°119.9°
C14C15C16H19132.9°60.0°
C14C15C16H20108.8°60.0°
C16C15C14N02116.3°180.0°
C15C16C17H19120.8°120.0°
C15C16C17H20120.8°119.9°
C15C16C17C1890.3°179.9°
C16C15C14H154.7°60.0°
C16C15C14H16122.7°60.0°
C16C15H17H18118.3°120.0°
C15C16H19H20117.4°120.0°
C15C16C17H21148.9°59.9°
C15C16C17H2230.5°60.0°
C14N02C09H4122.6°124.0°
C14N02C09C08117.2°83.6°
C14N02C09C0667.1°96.4°
N02C14H15H16116.8°120.0°
N02C14C15H174.3°60.0°
N02C14C15H18123.1°60.0°
N02C09C08C06176.0°180.0°
N02C09C08C132.4°0.1°
N02C09C06C053.4°0.4°
N02C09C08C07177.5°179.9°
N02C09C06C01173.0°179.8°
C09N02C14H1526.3°55.7°
C09N02C14H16144.3°64.3°
C16C17C18H21120.8°120.0°
C16C17C18H22120.8°120.1°
C16C17C18N035.3°55.0°
C16C17C18C19174.7°125.0°
C17C16C15H17108.5°59.9°
C17C16C15H18132.6°60.0°
C17C16H19H20117.4°120.0°
C16C17H21H22117.5°120.0°
CL1C12C13C08179.7°179.9°
CL1C12C13C11179.9°180.0°
CL1C12C11C10179.7°180.0°
CL1C12C11H130.3°0.1°
CL1C12C13H140.3°0.0°
C17C18N03C19180.0°179.9°
C17C18N03C22179.7°180.0°
C17C18C19C20179.8°180.0°
C18C17C16H1930.5°60.0°
C18C17C16H20148.8°60.0°
C18C17H21H22117.5°120.0°
C17C18C19H230.2°0.1°
C09C08C13C07179.9°180.0°
C09C08C13C12180.0°179.8°
C08C09C06C05179.0°179.6°
C08C09C06C012.7°0.2°
C09C08C07C10179.6°179.9°
C09C08C07N010.1°0.1°
C08C09N02H4120.2°40.4°
C09C08C13H140.0°0.1°
C06C09C08C13178.5°179.9°
C09C06C05C01176.4°179.8°
C09C06C05C04169.0°162.7°
C06C09C08C071.5°0.0°
C09C06C01N019.1°0.2°
C09C06C01C02171.2°179.6°
C06C09N02H455.5°139.6°
C09C06C05H1047.6°42.5°
C09C06C05H1169.5°77.0°
C08C13C12H14180.0°180.0°
C08C13C12C110.4°0.1°
C13C08C07C100.5°0.1°
C13C08C07N01180.0°179.9°
C12C13C08C070.1°0.1°
C13C12C11C100.4°0.0°
C13C12C11H13179.6°180.0°
C06C05C04H10121.4°120.3°
C06C05C04H11121.4°120.3°
C06C05C04C0336.2°51.0°
C05C06C01N01174.4°179.6°
C05C06C01C0212.2°0.6°
C06C05C04H884.3°68.8°
C06C05C04H9156.7°170.6°
C06C05H10H11115.4°119.4°
C04C05C06C0114.6°17.5°
C05C04C03H8120.5°119.8°
C05C04C03H9120.6°119.7°
C05C04C03C0253.0°70.2°
C05C04C03H6173.1°170.1°
C05C04C03H767.0°49.5°
C05C04H8H9118.4°120.6°
C04C05H10H11115.4°119.5°
C08C07C10N01179.5°180.0°
C08C07C10C110.5°0.0°
C08C07N01C016.1°0.2°
C08C07C10H12179.5°179.9°
C07C08C13H14179.9°179.9°
C12C11C10C070.1°0.0°
C12C11C10H13180.0°179.9°
C12C11C10H12179.9°179.9°
C11C12C13H14179.6°179.9°
C06C01N01C0710.5°0.0°
C06C01N01C02162.7°179.8°
C06C01C02C0331.6°18.0°
C06C01C02H2152.5°102.3°
C06C01C02H389.2°138.3°
C01C06C05H10136.0°137.7°
C01C06C05H11106.9°102.9°
C04C03C02C0151.7°51.6°
C04C03C02H6120.1°119.7°
C04C03C02H7120.1°119.8°
C04C03C02H2172.5°68.7°
C04C03C02H369.2°171.9°
C04C03H6H7119.8°120.6°
C03C04H8H9118.4°120.5°
C03C04C05H10157.6°171.2°
C03C04C05H1185.3°69.3°
N03C18C19C200.2°0.1°
C18N03C22C23179.7°180.0°
C18N03C22C210.3°0.1°
N03C18C17H21115.5°175.0°
N03C18C17H22126.1°65.0°
N03C18C19H23179.8°180.0°
C19C18N03C220.3°0.1°
C18C19C20H23180.0°179.9°
C18C19C20C210.1°0.1°
C19C18C17H2164.5°5.0°
C19C18C17H2253.9°114.9°
C18C19C20H24179.9°179.9°
N03C22C23C21179.3°180.0°
N03C22C23N04170.2°0.0°
N03C22C21C200.3°0.1°
N03C22C21O02179.7°179.9°
N03C22C23H259.8°180.0°
C07C10C11H12180.0°179.9°
C10C07N01C01174.4°179.9°
C07C10C11H13179.9°179.9°
N01C07C10C11180.0°179.9°
C07N01C01C02173.2°179.7°
N01C07C10H120.0°0.1°
N01C01C02C03165.2°162.2°
N01C01C02H244.4°77.5°
N01C01C02H373.9°41.9°
C01C02C03H2120.8°120.3°
C01C02C03H3120.8°120.3°
C01C02H2H3117.4°119.4°
C01C02C03H6171.7°171.3°
C01C02C03H768.4°68.2°
C03C02H2H3117.4°119.4°
C02C03H6H7119.8°120.5°
C02C03C04H867.5°49.6°
C02C03C04H9173.6°170.1°
C19C20C21C220.1°0.1°
C19C20C21H24180.0°180.0°
C19C20C21O02179.8°179.9°
C22C23N04H25180.0°180.0°
C23C22C21C20179.5°180.0°
C22C23N04O012.1°0.0°
C23C22C21O020.4°0.1°
C21C22C23N049.1°179.9°
C22C21C20O02180.0°179.9°
C22C21O02H5180.0°90.1°
C22C21C20H24179.9°179.9°
C21C22C23H25170.9°0.0°
C23N04O01H1180.0°180.0°
C20C21O02H50.0°90.1°
C21C20C19H23179.9°180.0°
O01N04C23H25177.8°180.0°
O02C21C20H240.2°0.1°
H2C02C03H667.4°51.0°
H2C02C03H752.5°171.5°
H3C02C03H650.9°68.4°
H3C02C03H7170.8°52.1°
H4N02C14H1596.3°68.3°
H4N02C14H1621.7°171.8°
H6C03C04H852.6°70.1°
H6C03C04H966.4°50.4°
H7C03C04H8172.5°169.3°
H7C03C04H953.5°70.2°
H8C04C05H1037.1°51.5°
H8C04C05H11154.2°170.9°
H9C04C05H1081.8°69.1°
H9C04C05H1135.3°50.3°
H12C10C11H130.1°0.0°
H15C14C15H17125.3°179.9°
H15C14C15H18115.8°60.0°
H16C14C15H17116.8°60.0°
H16C14C15H182.1°180.0°
H17C15C16H1912.3°180.0°
H17C15C16H20130.7°60.0°
H18C15C16H19106.6°60.0°
H18C15C16H2011.8°180.0°
H19C16C17H2190.3°180.0°
H19C16C17H22151.3°60.0°
H20C16C17H2128.0°60.0°
H20C16C17H2290.3°179.9°
H23C19C20H240.1°0.0°

222415

PDB entries from 2024-07-10

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