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1GI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL24C16sing1.74Å1.71Å
C32C31sing1.53Å1.50Å
C32C30sing1.53Å1.50Å
C31C30sing1.53Å1.51Å
C16C15doub1.38Å1.37ÅAromatic
C16C17sing1.38Å1.37ÅAromatic
C30C29sing1.53Å1.49Å
C15C14sing1.38Å1.38ÅAromatic
C17C18doub1.38Å1.37ÅAromatic
C29C33sing1.53Å1.51Å
C29N28sing1.46Å1.45Å
C14C12doub1.38Å1.37ÅAromatic
C18C12sing1.38Å1.37ÅAromatic
C12C11sing1.51Å1.48Å
N28C1sing1.39Å1.42Å
C1N2doub1.33Å1.34ÅAromatic
C1C6sing1.40Å1.38ÅAromatic
N2C3sing1.33Å1.34ÅAromatic
O35C7doub1.21Å1.25Å
C11N10sing1.46Å1.45Å
C6N10sing1.38Å1.38ÅAromatic
C6C5doub1.41Å1.37ÅAromatic
C3C7sing1.48Å1.46Å
C3N4doub1.32Å1.33ÅAromatic
N10C9sing1.37Å1.35ÅAromatic
C7O34sing1.35Å1.25Å
C23C22doub1.36Å1.37ÅAromatic
C23C13sing1.40Å1.37ÅAromatic
C5N4sing1.33Å1.34ÅAromatic
C5N8sing1.35Å1.36ÅAromatic
C9N8doub1.31Å1.31ÅAromatic
C9C13sing1.48Å1.44Å
C22C21sing1.40Å1.38ÅAromatic
C13C19doub1.39Å1.38ÅAromatic
C21S27sing1.76Å1.71ÅAromatic
C21C20doub1.40Å1.39ÅAromatic
C19C20sing1.41Å1.38ÅAromatic
S27C26sing1.75Å1.72ÅAromatic
C20C25sing1.45Å1.42ÅAromatic
C25C26doub1.32Å1.37ÅAromatic
C17H1sing1.08Å1.08Å
C11H2sing1.09Å1.10Å
C11H3sing1.09Å1.10Å
C23H4sing1.08Å1.08Å
C25H5sing1.08Å1.08Å
C30H6sing1.09Å1.10Å
C29H7sing1.09Å1.10Å
C26H8sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
C18H10sing1.08Å1.08Å
C22H11sing1.08Å1.08Å
C15H12sing1.08Å1.08Å
C19H13sing1.08Å1.08Å
C31H14sing1.09Å1.10Å
C31H15sing1.09Å1.10Å
C32H16sing1.09Å1.10Å
C32H17sing1.09Å1.10Å
C33H18sing1.09Å1.10Å
C33H19sing1.09Å1.10Å
C33H20sing1.09Å1.10Å
N28H21sing0.97Å1.00Å
O34H22sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL24C16C15119.7°120.0°
CL24C16C17118.7°120.0°
C31C32C3060.4°60.0°
C32C31C3059.8°60.0°
C32C31H14120.0°117.5°
C32C31H15120.1°117.5°
C31C32H16119.9°117.5°
C31C32H17119.9°117.5°
C32C30C3159.8°60.0°
C32C30C29120.9°117.5°
C32C30H6114.6°117.5°
C30C32H16119.9°117.5°
C30C32H17119.9°117.5°
C31C30C29121.5°117.5°
C31C30H6114.4°117.5°
C30C31H14120.0°117.5°
C30C31H15120.0°117.5°
C15C16C17121.6°120.0°
C16C15C14120.6°120.0°
C16C15H12119.7°120.0°
C16C17C18117.1°120.0°
C16C17H1121.4°120.0°
C30C29C33111.5°109.5°
C30C29N28109.8°109.5°
C29C30H6114.7°115.6°
C30C29H7110.3°109.5°
C15C14C12118.0°120.0°
C15C14H9121.0°120.0°
C14C15H12119.7°120.0°
C17C18C12122.1°120.0°
C18C17H1121.4°120.1°
C17C18H10118.9°120.0°
C33C29N28104.3°109.5°
C33C29H7110.0°109.5°
C29C33H18109.5°109.5°
C29C33H19109.5°109.5°
C29C33H20109.5°109.5°
C29N28C1113.1°120.0°
N28C29H7110.9°109.4°
C29N28H21108.6°120.0°
C14C12C18120.5°120.0°
C14C12C11123.4°120.0°
C12C14H9121.0°120.0°
C18C12C11116.1°120.0°
C12C18H10118.9°120.0°
C12C11N10121.3°109.5°
C12C11H2106.5°109.5°
C12C11H3106.4°109.5°
N28C1N2123.8°120.7°
N28C1C6120.6°120.7°
C1N28H21108.5°119.9°
N2C1C6115.7°118.6°
C1N2C3119.9°121.0°
C1C6N10135.5°134.9°
C1C6C5120.6°118.7°
N2C3C7118.2°118.8°
N2C3N4128.0°122.4°
O35C7C3119.1°120.0°
O35C7O34127.0°119.9°
C11N10C6129.7°126.5°
C11N10C9121.6°126.5°
N10C11H2106.4°109.4°
N10C11H3106.4°109.5°
N10C6C5103.9°106.4°
C6N10C9108.6°107.0°
C6C5N4124.2°118.7°
C6C5N8110.9°107.1°
C7C3N4113.8°118.8°
C3C7O34113.9°120.0°
C3N4C5111.7°120.6°
N10C9N8110.4°109.8°
N10C9C13124.8°125.1°
C7O34H22109.5°117.1°
C22C23C13122.1°120.2°
C23C22C21115.4°120.6°
C22C23H4119.0°119.9°
C23C22H11122.3°119.7°
C23C13C9121.5°119.9°
C23C13C19122.0°120.1°
C13C23H4119.0°119.9°
N4C5N8124.9°134.2°
C5N8C9106.2°109.7°
N8C9C13124.8°125.1°
C9C13C19116.6°119.9°
C22C21S27125.5°130.4°
C22C21C20124.0°120.0°
C21C22H11122.3°119.7°
C13C19C20117.8°120.0°
C13C19H13121.1°119.9°
S27C21C20110.5°109.6°
C21S27C2692.6°92.2°
C21C20C19118.8°118.9°
C21C20C25112.9°111.8°
C19C20C25128.3°129.2°
C20C19H13121.1°120.0°
S27C26C25111.8°111.4°
S27C26H8124.1°124.3°
C20C25C26112.2°114.9°
C20C25H5123.9°122.6°
C26C25H5123.9°122.5°
C25C26H8124.1°124.3°
H2C11H3109.5°109.5°
H14C31H15109.5°115.6°
H16C32H17109.5°115.6°
H18C33H19109.5°109.4°
H18C33H20109.5°109.4°
H19C33H20109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL24C16C15C17178.7°180.0°
CL24C16C15C14178.5°179.5°
CL24C16C17C18179.2°180.0°
CL24C16C17H10.8°0.2°
CL24C16C15H121.5°0.2°
C31C32C30H16109.5°107.5°
C31C32C30H17109.6°107.5°
C32C31C30H14109.4°107.5°
C32C31C30H15109.4°107.5°
C31C32C30C29110.8°107.5°
C31C32C30H6105.1°107.5°
C32C31H14H15144.9°145.8°
C31C32H16H17144.5°145.7°
C32C30C29H6144.1°145.6°
C32C30C29C3377.0°3.8°
C32C30C29N28167.9°116.3°
C32C30C29H745.4°123.8°
C30C32H16H17144.5°145.7°
C31C30C29H6144.6°145.7°
C31C30C29C33148.4°64.9°
C31C30C29N2896.6°175.0°
C31C30C29H725.9°55.1°
C30C31H14H15144.9°145.7°
C16C15C14H12180.0°179.3°
C15C16C17C180.5°0.0°
C16C15C14C120.2°0.7°
C15C16C17H1179.5°179.8°
C16C15C14H9179.8°179.8°
C17C16C15C140.2°0.5°
C16C17C18H1180.0°179.7°
C16C17C18C121.1°0.3°
C16C17C18H10178.9°179.8°
C17C16C15H12179.8°179.8°
C30C29C33N28118.4°120.0°
C30C29C33H7122.6°120.0°
C30C29N28H7122.1°120.0°
C30C29N28C1148.5°155.0°
C29C30C31H14140.7°0.0°
C29C30C31H150.5°145.0°
C29C30C32H161.3°145.0°
C29C30C32H17139.6°0.1°
C30C29C33H18180.0°180.0°
C30C29C33H1960.0°60.0°
C30C29C33H2060.0°60.0°
C30C29N28H2191.0°25.1°
C15C14C12H9180.0°179.5°
C15C14C12C180.4°0.4°
C15C14C12C11179.6°179.5°
C17C18C12C141.1°0.1°
C17C18C12H10180.0°179.9°
C17C18C12C11178.9°180.0°
C33C29N28H7118.3°120.0°
C33C29N28C191.9°84.9°
C33C29C30H667.0°149.4°
C29C33H18H19120.0°120.0°
C29C33H18H20120.0°120.0°
C29C33H19H20120.0°120.1°
C33C29N28H2128.6°95.0°
C29N28C1H21120.5°179.9°
C29N28C1N213.9°5.0°
C29N28C1C6165.3°174.7°
N28C29C30H648.0°29.4°
N28C29C33H1861.5°60.0°
N28C29C33H19178.4°180.0°
N28C29C33H2058.4°60.0°
C14C12C18C11180.0°180.0°
C14C12C11N106.0°85.4°
C14C12C11H2115.7°154.7°
C14C12C11H3127.6°34.6°
C14C12C18H10178.9°180.0°
C12C14C15H12179.8°180.0°
C18C12C11N10174.1°94.7°
C12C18C17H1178.9°180.0°
C18C12C11H264.3°25.3°
C18C12C11H352.4°145.3°
C18C12C14H9179.6°180.0°
C12C11N10H2121.7°120.0°
C12C11N10H3121.6°120.0°
C12C11N10C682.5°97.9°
C12C11N10C9102.3°82.0°
C12C11H2H3114.7°120.0°
C11C12C14H90.4°0.0°
C11C12C18H101.1°0.0°
N28C1N2C6179.2°179.7°
N28C1N2C3179.4°179.7°
N28C1C6N100.4°0.3°
N28C1C6C5179.1°179.7°
C1N28C29H726.4°35.0°
N2C1C6N10178.8°180.0°
N2C1C6C50.1°0.0°
C1N2C3C7179.2°179.9°
C1N2C3N40.2°0.0°
N2C1N28H21106.7°174.9°
C6C1N2C30.2°0.0°
C1C6N10C114.7°0.0°
C1C6N10C5178.8°180.0°
C1C6N10C9179.6°180.0°
C1C6C5N40.4°0.0°
C1C6C5N8179.6°180.0°
C6C1N28H2174.2°5.4°
N2C3C7O3513.6°0.0°
N2C3C7N4179.5°180.0°
N2C3C7O34164.7°180.0°
N2C3N4C50.0°0.0°
O35C7C3O34178.3°180.0°
O35C7C3N4166.9°180.0°
O35C7O34H220.0°0.0°
C11N10C6C9175.7°179.9°
C11N10C6C5176.4°180.0°
C11N10C9N8176.9°180.0°
C11N10C9C133.9°0.1°
N10C11H2H3114.6°120.0°
N10C6C5N4179.4°180.0°
N10C6C5N80.5°0.0°
C6N10C9N80.8°0.0°
C6N10C9C13180.0°180.0°
C6N10C11H239.1°142.1°
C6N10C11H3155.8°22.1°
C6C5N4C30.3°0.0°
C5C6N10C90.8°0.0°
C6C5N4N8179.9°179.9°
C6C5N8C90.0°0.0°
C7C3N4C5179.5°180.0°
C3C7O34H22178.2°179.9°
N4C3C7O3414.8°0.0°
C3N4C5N8179.6°180.0°
N10C9C13C2338.4°52.1°
N10C9N8C50.5°0.0°
N10C9N8C13179.2°180.0°
N10C9C13C19143.7°128.2°
C9N10C11H2136.1°38.0°
C9N10C11H319.4°158.0°
C22C23C13H4180.0°180.0°
C22C23C13C9177.8°179.8°
C23C22C21H11180.0°180.0°
C22C23C13C190.1°0.1°
C23C22C21S27179.5°179.9°
C23C22C21C200.6°0.0°
C23C13C9N8140.7°127.9°
C23C13C9C19178.0°179.7°
C13C23C22C210.2°0.1°
C23C13C19C200.1°0.0°
C13C23C22H11179.8°180.0°
C23C13C19H13179.9°179.9°
N4C5N8C9179.9°179.9°
C5N8C9C13179.6°180.0°
N8C9C13C1937.3°51.8°
C9C13C19C20178.0°179.7°
C9C13C23H42.2°0.3°
C9C13C19H132.0°0.2°
C22C21S27C20179.8°179.9°
C22C21C20C190.8°0.1°
C22C21S27C26180.0°180.0°
C22C21C20C25179.9°180.0°
C21C22C23H4179.8°180.0°
C13C19C20C210.5°0.0°
C13C19C20H13180.0°180.0°
C13C19C20C25179.4°179.9°
C19C13C23H4179.9°180.0°
S27C21C20C19179.4°180.0°
S27C21C20C250.3°0.1°
C21S27C26C250.0°0.1°
C21S27C26H8180.0°180.0°
S27C21C22H110.5°0.1°
C21C20C19C25178.9°179.9°
C20C21S27C260.2°0.0°
C21C20C25C260.3°0.1°
C21C20C25H5179.7°180.0°
C20C21C22H11179.4°180.0°
C21C20C19H13179.5°180.0°
C19C20C25C26179.3°179.9°
C19C20C25H50.7°0.1°
S27C26C25C200.2°0.1°
S27C26C25H8180.0°180.0°
S27C26C25H5179.8°180.0°
C20C25C26H5180.0°179.9°
C20C25C26H8179.8°179.9°
C25C20C19H130.6°0.1°
H1C17C18H101.1°0.0°
H4C23C22H110.2°0.0°
H5C25C26H80.2°0.0°
H6C30C29H7170.5°90.6°
H6C30C31H144.1°145.0°
H6C30C31H15145.2°0.0°
H6C30C32H16145.4°0.0°
H6C30C32H174.5°145.0°
H7C29C33H1857.4°60.0°
H7C29C33H1962.6°60.0°
H7C29C33H20177.4°180.0°
H7C29N28H21146.9°145.1°
H9C14C15H120.2°0.4°
H14C31C32H16141.0°145.0°
H14C31C32H170.2°0.0°
H15C31C32H160.2°0.0°
H15C31C32H17141.0°145.1°
H18C33H19H20120.0°119.9°

223790

PDB entries from 2024-08-14

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