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ML0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C36O38sing1.34Å1.26Å
O38HO38sing0.97Å0.95Å
O37C36doub1.21Å1.26Å
C36C34sing1.51Å1.50Å
C33C34sing1.53Å1.52Å
C34N35sing1.47Å1.46Å
C34H34sing1.09Å1.10Å
N35HN35sing1.01Å1.00Å
N35HN3Asing1.01Å1.00Å
C33C30sing1.51Å1.51Å
C33H33sing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C31C30doub1.38Å1.40ÅAromatic
C30C29sing1.38Å1.39ÅAromatic
C29C28doub1.38Å1.39ÅAromatic
C29H29sing1.08Å1.08Å
C27C28sing1.39Å1.39ÅAromatic
C28H28sing1.08Å1.08Å
C31C32sing1.38Å1.39ÅAromatic
C31H31sing1.08Å1.08Å
C32C27doub1.39Å1.40ÅAromatic
C32H32sing1.08Å1.08Å
C27C22sing1.48Å1.49ÅAromatic
N23C22doub1.33Å1.36ÅAromatic
C22C21sing1.39Å1.39ÅAromatic
C21C20doub1.39Å1.39ÅAromatic
C21H21sing1.08Å1.08Å
N23C24sing1.32Å1.36ÅAromatic
N26C24sing1.38Å1.35Å
C24N25doub1.32Å1.35ÅAromatic
N26HN26sing0.97Å1.00Å
N26HN2Asing0.97Å1.00Å
N25C20sing1.33Å1.36ÅAromatic
C20O16sing1.36Å1.37Å
O16C14sing1.43Å1.43Å
C11C14sing1.51Å1.49Å
C14C15sing1.53Å1.52Å
C14H14sing1.09Å1.10Å
C15F19sing1.40Å1.32Å
C15F17sing1.40Å1.32Å
C15F18sing1.40Å1.32Å
C12C11doub1.38Å1.40ÅAromatic
C11C10sing1.38Å1.40ÅAromatic
C9C10doub1.38Å1.40ÅAromatic
C10H10sing1.08Å1.08Å
C8C9sing1.39Å1.40ÅAromatic
C9H9sing1.08Å1.08Å
C13C12sing1.38Å1.39ÅAromatic
C12H12sing1.08Å1.08Å
C13C8doub1.39Å1.40ÅAromatic
C13H13sing1.08Å1.08Å
C3C8sing1.48Å1.49ÅAromatic
C2C3doub1.39Å1.40ÅAromatic
C3C4sing1.39Å1.40ÅAromatic
C1C2sing1.38Å1.39ÅAromatic
C2H2sing1.08Å1.08Å
C5C4doub1.38Å1.40ÅAromatic
C4H4sing1.08Å1.08Å
C6C5sing1.39Å1.40ÅAromatic
C5F7sing1.35Å1.35Å
C1C6doub1.38Å1.39ÅAromatic
C6H6sing1.08Å1.08Å
C1H1sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C36O38HO38109.5°117.1°
O38C36O37122.7°119.9°
O38C36C34119.4°120.1°
O37C36C34118.0°120.0°
C36C34C33105.8°109.5°
C36C34N35112.3°109.5°
C36C34H34110.3°109.4°
C33C34N35110.0°109.5°
C33C34H34112.6°109.5°
C34C33C30113.5°109.5°
C34C33H33108.2°109.5°
C34C33H33A107.2°109.4°
N35C34H34106.1°109.4°
C34N35HN35109.5°111.0°
C34N35HN3A109.5°111.0°
HN35N35HN3A109.5°111.0°
C30C33H33108.1°109.5°
C30C33H33A107.2°109.5°
C33C30C31121.5°119.9°
C33C30C29118.3°119.9°
H33C33H33A112.7°109.4°
C31C30C29120.2°120.2°
C30C31C32119.9°120.1°
C30C31H31120.1°120.0°
C30C29C28119.7°120.1°
C30C29H29120.2°119.9°
C28C29H29120.1°119.9°
C29C28C27120.6°119.9°
C29C28H28119.7°120.1°
C27C28H28119.7°120.1°
C28C27C32119.6°119.8°
C28C27C22118.9°120.1°
C32C31H31120.1°119.9°
C31C32C27120.0°119.9°
C31C32H32120.0°120.1°
C27C32H32120.0°120.0°
C32C27C22121.4°120.1°
C27C22N23120.3°120.5°
C27C22C21120.5°120.5°
N23C22C21119.1°119.0°
C22N23C24121.1°120.8°
C22C21C20118.9°118.4°
C22C21H21120.6°120.8°
C20C21H21120.6°120.8°
C21C20N25119.9°119.2°
C21C20O16119.4°120.4°
N23C24N26120.2°119.1°
N23C24N25120.5°121.8°
N26C24N25119.3°119.1°
C24N26HN26109.5°120.0°
C24N26HN2A109.4°120.0°
C24N25C20120.5°120.9°
HN26N26HN2A109.4°120.1°
N25C20O16120.8°120.4°
C20O16C14120.7°117.0°
O16C14C11111.4°109.5°
O16C14C15108.5°109.5°
O16C14H14109.3°109.5°
C11C14C15110.8°109.5°
C11C14H14106.9°109.5°
C14C11C12119.2°119.9°
C14C11C10121.3°119.9°
C15C14H14109.9°109.5°
C14C15F19110.0°109.5°
C14C15F17108.3°109.5°
C14C15F18109.8°109.5°
F19C15F17109.6°109.5°
F19C15F18108.4°109.5°
F17C15F18110.7°109.5°
C12C11C10119.5°120.2°
C11C12C13120.2°120.1°
C11C12H12119.9°120.0°
C11C10C9120.2°120.1°
C11C10H10119.9°119.9°
C9C10H10119.9°119.9°
C10C9C8120.3°119.9°
C10C9H9119.9°120.0°
C8C9H9119.9°120.1°
C9C8C13119.3°119.8°
C9C8C3121.0°120.1°
C13C12H12119.9°119.9°
C12C13C8120.5°119.9°
C12C13H13119.8°120.1°
C8C13H13119.7°120.1°
C13C8C3119.7°120.1°
C8C3C2120.5°120.1°
C8C3C4120.3°120.1°
C2C3C4119.1°119.8°
C3C2C1120.7°119.9°
C3C2H2119.7°120.0°
C3C4C5120.3°119.8°
C3C4H4119.8°120.1°
C1C2H2119.7°120.0°
C2C1C6119.9°120.1°
C2C1H1120.0°119.9°
C5C4H4119.8°120.1°
C4C5C6120.0°120.1°
C4C5F7120.0°120.0°
C6C5F7120.0°119.9°
C5C6C1119.9°120.2°
C5C6H6120.1°119.9°
C1C6H6120.0°119.9°
C6C1H1120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O38C36O37C34178.4°180.0°
O38C36C34C33107.4°80.0°
O38C36C34N3512.5°160.0°
O38C36C34H34130.6°40.0°
HO38O38C36O370.0°0.0°
HO38O38C36C34178.4°180.0°
O37C36C34C3371.1°100.0°
O37C36C34N35169.0°20.0°
O37C36C34H3450.9°140.0°
C36C34C33N35121.4°120.0°
C36C34C33H34120.5°120.0°
C36C34N35H34120.5°120.0°
C36C34N35HN35135.9°63.9°
C36C34N35HN3A15.9°60.0°
C36C34C33C30173.3°175.0°
C36C34C33H3366.7°65.0°
C36C34C33H33A55.1°55.0°
C33C34N35H34122.0°120.0°
C33C34N35HN35106.6°176.0°
C33C34N35HN3A133.4°60.0°
C34C33C30H33120.0°120.0°
C34C33C30H33A118.3°120.0°
C34C33H33H33A118.4°119.9°
C34C33C30C3167.4°90.2°
C34C33C30C29113.6°90.0°
C34N35HN35HN3A120.0°124.0°
N35C34C33C3065.2°65.0°
N35C34C33H3354.7°55.1°
N35C34C33H33A176.5°175.0°
H34C34N35HN3515.4°56.0°
H34C34N35HN3A104.6°180.0°
H34C34C33C3052.8°55.0°
H34C34C33H33172.8°175.1°
H34C34C33H33A65.4°65.0°
C30C33H33H33A118.3°120.0°
C33C30C31C29178.9°179.8°
C33C30C29C28179.4°180.0°
C33C30C29H290.6°0.0°
C33C30C31C32179.4°180.0°
C33C30C31H310.6°0.1°
H33C33C30C31172.6°149.7°
H33C33C30C296.4°30.1°
H33AC33C30C3150.8°29.7°
H33AC33C30C29128.1°150.1°
C31C30C29C280.4°0.2°
C31C30C29H29179.6°179.8°
C30C31C32H31180.0°179.9°
C30C31C32C270.1°0.0°
C30C31C32H32180.0°179.9°
C30C29C28H29180.0°180.0°
C30C29C28C270.1°0.0°
C30C29C28H28179.9°180.0°
C29C30C31C320.5°0.2°
C29C30C31H31179.5°179.7°
C29C28C27H28180.0°179.9°
C29C28C27C320.6°0.2°
C29C28C27C22178.9°180.0°
H29C29C28C27179.9°180.0°
H29C29C28H280.1°0.0°
C28C27C32C310.5°0.2°
C28C27C32C22178.3°179.8°
C28C27C32H32179.5°179.7°
C28C27C22N23152.4°179.5°
C28C27C22C2125.1°0.2°
H28C28C27C32179.4°179.8°
H28C28C27C221.1°0.1°
C31C32C27H32180.0°179.9°
C31C32C27C22178.7°180.0°
H31C31C32C27180.0°180.0°
H31C31C32H320.0°0.0°
C32C27C22N2325.8°0.3°
C32C27C22C21156.6°180.0°
H32C32C27C221.2°0.1°
C27C22N23C21177.6°179.7°
C27C22C21C20178.8°180.0°
C27C22C21H211.2°0.1°
C27C22N23C24178.8°180.0°
N23C22C21C201.2°0.3°
N23C22C21H21178.8°179.8°
C22N23C24N26179.5°179.9°
C22N23C24N250.6°0.0°
C22C21C20H21180.0°179.9°
C21C22N23C241.3°0.2°
C22C21C20N250.5°0.0°
C22C21C20O16179.4°180.0°
C21C20N25C240.1°0.3°
C21C20N25O16180.0°180.0°
C21C20O16C14169.0°180.0°
H21C21C20N25179.5°180.0°
H21C21C20O160.6°0.1°
N23C24N26N25179.9°180.0°
N23C24N26HN2645.6°0.0°
N23C24N26HN2A74.4°180.0°
N23C24N25C200.1°0.3°
C24N26HN26HN2A120.0°179.9°
N26C24N25C20179.8°179.7°
N25C24N26HN26134.4°180.0°
N25C24N26HN2A105.7°0.0°
C24N25C20O16179.9°179.7°
N25C20O16C1411.0°0.0°
C20O16C14C11102.0°150.0°
C20O16C14C15135.8°90.0°
C20O16C14H1415.9°30.0°
O16C14C11C15120.9°120.0°
O16C14C11H14119.3°120.0°
O16C14C15H14119.4°120.0°
O16C14C15F1949.9°60.0°
O16C14C15F17169.7°60.0°
O16C14C15F1869.3°180.0°
O16C14C11C12153.9°35.3°
O16C14C11C1026.4°145.0°
C11C14C15H14117.9°120.0°
C11C14C15F19172.5°60.0°
C11C14C15F1767.7°180.0°
C11C14C15F1853.4°60.0°
C14C11C12C10179.7°179.7°
C14C11C10C9179.8°180.0°
C14C11C10H100.3°0.0°
C14C11C12C13179.7°180.0°
C14C11C12H120.2°0.1°
C14C15F19F17119.0°120.0°
C14C15F19F18120.1°120.0°
C14C15F17F18120.5°120.0°
C15C14C11C1285.1°84.7°
C15C14C11C1094.6°95.0°
H14C14C15F1969.5°180.0°
H14C14C15F1750.3°60.0°
H14C14C15F18171.3°60.0°
H14C14C11C1234.6°155.3°
H14C14C11C10145.7°25.0°
F19C15F17F18119.5°120.0°
C12C11C10C90.0°0.3°
C12C11C10H10180.0°179.7°
C11C12C13H12180.0°179.9°
C11C12C13C80.2°0.0°
C11C12C13H13179.8°180.0°
C11C10C9H10180.0°180.0°
C11C10C9C80.1°0.0°
C11C10C9H9179.9°179.9°
C10C11C12C130.0°0.3°
C10C11C12H12180.0°179.8°
C10C9C8H9180.0°179.9°
C10C9C8C130.3°0.3°
C10C9C8C3179.9°180.0°
H10C10C9C8179.9°180.0°
H10C10C9H90.1°0.1°
C9C8C13C120.4°0.4°
C9C8C13C3179.7°179.6°
C9C8C13H13179.7°179.7°
C9C8C3C234.5°179.9°
C9C8C3C4145.3°0.3°
H9C9C8C13179.7°179.8°
H9C9C8C30.0°0.1°
C12C13C8H13180.0°180.0°
C12C13C8C3179.9°180.0°
H12C12C13C8179.8°179.9°
H12C12C13H130.2°0.1°
C13C8C3C2145.7°0.3°
C13C8C3C434.4°179.9°
H13C13C8C30.1°0.0°
C8C3C2C4179.9°179.7°
C8C3C2C1179.9°180.0°
C8C3C2H20.1°0.0°
C8C3C4C5179.9°180.0°
C8C3C4H40.1°0.1°
C3C2C1H2180.0°179.9°
C2C3C4C50.2°0.2°
C2C3C4H4179.8°179.7°
C3C2C1C60.2°0.0°
C3C2C1H1179.8°180.0°
C4C3C2C10.2°0.3°
C4C3C2H2179.8°179.8°
C3C4C5H4180.0°179.9°
C3C4C5C60.1°0.1°
C3C4C5F7179.8°180.0°
C2C1C6C50.1°0.3°
C2C1C6H1180.0°180.0°
C2C1C6H6179.9°179.9°
H2C2C1C6179.8°180.0°
H2C2C1H10.2°0.0°
C4C5C6F7179.9°180.0°
C4C5C6C10.1°0.3°
C4C5C6H6179.9°180.0°
H4C4C5C6179.9°180.0°
H4C4C5F70.2°0.0°
C5C6C1H6180.0°179.7°
C5C6C1H1179.9°179.7°
F7C5C6C1179.8°179.7°
F7C5C6H60.2°0.0°
H6C6C1H10.1°0.0°

223532

PDB entries from 2024-08-07

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