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0JA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C35C36sing1.53Å1.53Å
C35C34sing1.53Å1.53Å
C36C34sing1.53Å1.53Å
C34C37sing1.47Å1.46Å
C34C31sing1.51Å1.52Å
C37N38trip1.14Å1.14Å
C31C30doub1.38Å1.39ÅAromatic
C31C32sing1.38Å1.39ÅAromatic
C30C29sing1.38Å1.38ÅAromatic
CL3C32sing1.74Å1.73Å
C32C27doub1.40Å1.41ÅAromatic
C29C28doub1.38Å1.38ÅAromatic
C27C28sing1.40Å1.40ÅAromatic
C27C25sing1.48Å1.48Å
O26C25doub1.22Å1.21Å
C25N24sing1.35Å1.35Å
N24C23sing1.40Å1.41Å
C23C22doub1.39Å1.40ÅAromatic
C23C2sing1.39Å1.39ÅAromatic
C22C5sing1.39Å1.40ÅAromatic
F1C2sing1.35Å1.35Å
C2C3doub1.38Å1.39ÅAromatic
C8C9doub1.37Å1.38ÅAromatic
C8C7sing1.39Å1.40ÅAromatic
C5O6sing1.36Å1.36Å
C5C4doub1.39Å1.39ÅAromatic
O6C7sing1.36Å1.36Å
C9C10sing1.41Å1.42ÅAromatic
C7N21doub1.32Å1.31ÅAromatic
C10C20doub1.40Å1.39ÅAromatic
C10N11sing1.35Å1.37ÅAromatic
N21C20sing1.33Å1.32ÅAromatic
C20S19sing1.76Å1.74ÅAromatic
N11C12doub1.29Å1.30ÅAromatic
C12S19sing1.76Å1.76ÅAromatic
C12N13sing1.39Å1.41Å
C3C4sing1.38Å1.38ÅAromatic
N13C14sing1.35Å1.37Å
C14C16sing1.51Å1.51Å
C14O15doub1.21Å1.20Å
C16C18sing1.53Å1.52Å
C16C17sing1.53Å1.53Å
C18C17sing1.53Å1.53Å
C3H1sing1.08Å1.08Å
C4H2sing1.08Å1.08Å
C8H3sing1.08Å1.08Å
C9H4sing1.08Å1.08Å
N13H5sing0.97Å1.00Å
C16H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C17H8sing1.09Å1.10Å
C18H9sing1.09Å1.10Å
C18H10sing1.09Å1.10Å
C22H11sing1.08Å1.08Å
N24H12sing0.97Å1.00Å
C28H13sing1.08Å1.08Å
C29H14sing1.08Å1.08Å
C30H15sing1.08Å1.08Å
C35H16sing1.09Å1.10Å
C35H17sing1.09Å1.10Å
C36H18sing1.09Å1.10Å
C36H19sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C36C35C3460.1°60.0°
C35C36C3460.0°60.0°
C36C35H16120.0°117.5°
C36C35H17120.0°117.5°
C35C36H18120.0°117.5°
C35C36H19120.0°117.5°
C35C34C3659.9°60.0°
C35C34C37117.4°117.5°
C35C34C31118.9°117.5°
C34C35H16120.0°117.5°
C34C35H17120.0°117.5°
C36C34C37116.0°117.5°
C36C34C31117.6°117.5°
C34C36H18120.0°117.5°
C34C36H19120.0°117.5°
C37C34C31115.5°115.6°
C34C37N38179.3°180.0°
C34C31C30120.1°119.9°
C34C31C32120.0°119.9°
C30C31C32119.9°120.1°
C31C30C29120.3°120.3°
C31C30H15119.8°119.9°
C31C32CL3118.6°120.1°
C31C32C27120.2°119.8°
C30C29C28120.1°120.2°
C30C29H14119.9°119.9°
C29C30H15119.8°119.8°
CL3C32C27121.1°120.1°
C32C27C28118.7°119.7°
C32C27C25122.3°120.1°
C29C28C27120.7°119.9°
C29C28H13119.6°120.0°
C28C29H14120.0°119.9°
C28C27C25118.9°120.2°
C27C28H13119.6°120.1°
C27C25O26118.3°120.0°
C27C25N24120.7°120.0°
O26C25N24120.9°120.0°
C25N24C23126.5°120.0°
C25N24H12116.8°120.0°
N24C23C22124.2°120.0°
N24C23C2117.1°120.1°
C23N24H12116.8°120.0°
C22C23C2118.7°119.9°
C23C22C5120.2°119.9°
C23C22H11119.9°120.1°
C23C2F1119.2°120.0°
C23C2C3121.0°120.0°
C22C5O6120.3°120.0°
C22C5C4120.2°120.0°
C5C22H11119.9°120.1°
F1C2C3119.8°120.0°
C2C3C4120.3°120.1°
C2C3H1119.8°120.0°
C9C8C7119.3°119.7°
C8C9C10120.0°119.1°
C9C8H3120.4°120.2°
C8C9H4120.0°120.5°
C8C7O6125.1°119.7°
C8C7N21120.0°120.7°
C7C8H3120.3°120.1°
O6C5C4119.5°120.0°
C5O6C7127.9°118.0°
C5C4C3119.6°120.1°
C5C4H2120.2°120.0°
O6C7N21114.9°119.6°
C9C10C20115.7°117.9°
C9C10N11131.4°129.0°
C10C9H4120.0°120.5°
C7N21C20122.2°121.8°
C20C10N11112.9°113.1°
C10C20N21122.7°120.8°
C10C20S19107.5°108.2°
C10N11C12118.9°117.9°
N21C20S19129.8°131.0°
C20S19C1293.1°90.5°
N11C12S19107.6°110.4°
N11C12N13128.0°124.8°
S19C12N13124.3°124.8°
C12N13C14123.2°120.0°
C12N13H5118.4°120.0°
C4C3H1119.8°120.0°
C3C4H2120.2°119.9°
N13C14C16126.0°120.0°
N13C14O15120.9°120.0°
C14N13H5118.4°120.0°
C16C14O15113.1°120.0°
C14C16C18120.2°117.5°
C14C16C17120.1°117.5°
C14C16H6115.2°115.5°
C18C16C1760.2°60.0°
C16C18C1760.0°60.0°
C18C16H6115.0°117.5°
C16C18H9120.0°117.5°
C16C18H10120.0°117.5°
C16C17C1859.8°60.0°
C17C16H6115.0°117.5°
C16C17H7120.0°117.5°
C16C17H8120.0°117.5°
C18C17H7120.1°117.5°
C18C17H8120.0°117.5°
C17C18H9120.0°117.5°
C17C18H10120.0°117.5°
H7C17H8109.4°115.6°
H9C18H10109.4°115.6°
H16C35H17109.5°115.6°
H18C36H19109.5°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C36C35C34H16109.5°107.5°
C36C35C34H17109.5°107.5°
C35C36C34H18109.5°107.5°
C35C36C34H19109.5°107.5°
C36C35C34C37105.7°107.5°
C36C35C34C31106.9°107.5°
C36C35H16H17144.7°145.7°
C35C36H18H19144.7°145.8°
C35C34C37C31148.4°145.7°
C35C34C37N3868.3°77.5°
C35C34C31C3038.8°0.1°
C35C34C31C32141.0°179.6°
C34C35H16H17144.7°145.7°
C36C34C37C31143.6°145.6°
C36C34C37N38136.2°146.2°
C36C34C31C30107.9°68.8°
C36C34C31C3271.9°111.0°
C34C36H18H19144.7°145.6°
C37C34C31C30109.1°145.6°
C37C34C31C3271.1°34.7°
C37C34C35H16144.8°0.0°
C37C34C35H173.8°145.0°
C37C34C36H181.4°145.0°
C37C34C36H19142.5°0.0°
C31C34C37N3880.2°68.2°
C34C31C30C32179.8°179.7°
C34C31C30C29179.5°180.0°
C34C31C32CL30.2°0.3°
C34C31C32C27179.8°179.7°
C34C31C30H150.5°0.0°
C31C34C35H162.5°145.0°
C31C34C35H17143.6°0.0°
C31C34C36H18141.4°0.0°
C31C34C36H190.3°145.0°
C31C30C29H15180.0°180.0°
C30C31C32CL3180.0°180.0°
C30C31C32C270.0°0.6°
C31C30C29C280.2°0.0°
C31C30C29H14179.8°180.0°
C32C31C30C290.3°0.3°
C31C32CL3C27180.0°179.4°
C31C32C27C280.4°0.6°
C31C32C27C25178.8°179.7°
C32C31C30H15179.7°179.7°
C30C29C28H14180.0°180.0°
C30C29C28C270.2°0.0°
C30C29C28H13179.8°180.0°
CL3C32C27C28179.6°180.0°
CL3C32C27C251.2°0.3°
C32C27C28C290.5°0.3°
C32C27C28C25178.5°179.7°
C32C27C25O2646.8°0.3°
C32C27C25N24135.9°179.7°
C32C27C28H13179.5°179.8°
C29C28C27H13180.0°180.0°
C29C28C27C25179.0°180.0°
C28C29C30H15179.8°180.0°
C28C27C25O26131.6°180.0°
C28C27C25N2445.7°0.0°
C27C28C29H14179.8°180.0°
C27C25O26N24177.3°179.9°
C27C25N24C23179.1°174.4°
C27C25N24H120.9°5.6°
C25C27C28H131.0°0.1°
O26C25N24C231.8°5.6°
O26C25N24H12178.1°174.4°
C25N24C23H12180.0°180.0°
C25N24C23C2223.6°24.8°
C25N24C23C2157.4°154.6°
N24C23C22C2179.0°179.5°
N24C23C22C5179.6°180.0°
N24C23C2F10.7°0.2°
N24C23C2C3179.7°180.0°
N24C23C22H110.5°0.2°
C23C22C5H11180.0°179.7°
C22C23C2F1179.8°179.7°
C22C23C2C30.7°0.6°
C23C22C5O6179.0°179.7°
C23C22C5C42.1°0.3°
C22C23N24H12156.4°155.2°
C2C23C22C51.4°0.6°
C23C2F1C3179.6°179.8°
C23C2C3C40.5°0.3°
C23C2C3H1179.5°179.8°
C2C23C22H11178.5°179.7°
C2C23N24H1222.7°25.3°
C22C5O6C4176.9°180.0°
C22C5O6C7110.2°114.7°
C22C5C4C32.0°0.0°
C22C5C4H2178.0°180.0°
F1C2C3C4179.9°180.0°
F1C2C3H10.1°0.0°
C2C3C4C51.2°0.0°
C2C3C4H1180.0°179.9°
C2C3C4H2178.8°180.0°
C9C8C7H3180.0°179.9°
C9C8C7O6179.3°180.0°
C8C9C10H4180.0°179.9°
C9C8C7N210.3°0.3°
C8C9C10C200.3°0.0°
C8C9C10N11179.7°180.0°
C8C7O6C513.1°174.7°
C8C7O6N21179.0°179.7°
C7C8C9C100.5°0.1°
C8C7N21C200.1°0.6°
C7C8C9H4179.5°180.0°
C5O6C7N21167.8°5.0°
O6C5C4C3178.9°180.0°
O6C5C4H21.1°0.0°
O6C5C22H111.0°0.0°
C4C5O6C772.9°65.3°
C5C4C3H2180.0°180.0°
C5C4C3H1178.8°179.9°
C4C5C22H11177.8°180.0°
O6C7N21C20179.0°179.8°
O6C7C8H30.7°0.1°
C9C10C20N11180.0°180.0°
C9C10C20N210.0°0.3°
C9C10C20S19179.9°179.9°
C9C10N11C12179.4°179.9°
C10C9C8H3179.5°180.0°
C7N21C20C100.3°0.5°
C7N21C20S19179.9°179.7°
N21C7C8H3179.7°179.8°
C10C20N21S19179.8°179.7°
C20C10N11C120.6°0.1°
C10C20S19C120.3°0.0°
C20C10C9H4179.7°180.0°
N11C10C20N21180.0°179.7°
N11C10C20S190.1°0.0°
C10N11C12S190.8°0.0°
C10N11C12N13177.2°180.0°
N11C10C9H40.3°0.1°
N21C20S19C12179.6°179.7°
C20S19C12N110.6°0.0°
C20S19C12N13177.2°179.9°
N11C12S19N13176.6°179.9°
N11C12N13C14179.0°180.0°
N11C12N13H51.0°0.1°
S19C12N13C143.2°0.1°
S19C12N13H5176.8°180.0°
C12N13C14H5180.0°179.9°
C12N13C14C16177.2°180.0°
C12N13C14O153.3°0.1°
N13C14C16O15179.6°179.9°
N13C14C16C1813.6°180.0°
N13C14C16C1784.5°111.3°
N13C14C16H6131.1°34.4°
C14C16C18C17109.6°107.5°
C14C16C18H6144.7°144.9°
C14C16C17H6144.5°145.1°
C16C14N13H52.8°0.1°
C14C16C17H7140.7°145.0°
C14C16C17H80.4°0.0°
C14C16C18H90.1°0.1°
C14C16C18H10140.9°145.0°
O15C14C16C18166.0°0.1°
O15C14C16C1795.1°68.6°
O15C14N13H5176.7°180.0°
O15C14C16H649.3°145.7°
C18C16C17H6105.7°107.4°
C16C18C17H9109.5°107.5°
C16C18C17H10109.5°107.5°
C18C16C17H7109.4°107.5°
C18C16C17H8109.4°107.5°
C16C18H9H10144.8°145.7°
C16C17H7H8144.8°145.7°
C18C17H7H8144.8°145.7°
C17C18H9H10144.7°145.7°
H1C3C4H21.2°0.1°
H3C8C9H40.5°0.1°
H6C16C17H73.7°0.0°
H6C16C17H8144.9°145.1°
H6C16C18H9144.9°145.0°
H6C16C18H103.8°0.0°
H7C17C18H9141.1°145.0°
H7C17C18H100.1°0.0°
H8C17C18H90.1°0.0°
H8C17C18H10141.1°145.1°
H13C28C29H140.2°0.0°
H14C29C30H150.2°0.0°
H16C35C36H18141.0°145.1°
H16C35C36H190.0°0.0°
H17C35C36H180.0°0.0°
H17C35C36H19141.0°145.1°

221716

PDB entries from 2024-06-26

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