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OR0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C13sing1.53Å1.49Å
C15C14sing1.53Å1.49Å
C13C12sing1.53Å1.48Å
C13C14sing1.53Å1.50Å
C12C11sing1.53Å1.50Å
C17C18doub1.38Å1.39ÅAromatic
C17C16sing1.38Å1.38ÅAromatic
C18C19sing1.40Å1.38ÅAromatic
C11C16sing1.51Å1.52Å
C11N9sing1.47Å1.45Å
C16N21doub1.32Å1.35ÅAromatic
F25C24sing1.35Å1.34Å
N8N9sing1.40Å1.34ÅAromatic
N8C7doub1.31Å1.33ÅAromatic
C19C23sing1.48Å1.47Å
C19C20doub1.39Å1.38ÅAromatic
C32N33doub1.31Å1.32ÅAromatic
C32N31sing1.35Å1.36ÅAromatic
N9C10sing1.35Å1.37ÅAromatic
C24C23doub1.40Å1.38ÅAromatic
C24C26sing1.38Å1.37ÅAromatic
CL27C26sing1.74Å1.73Å
C23C30sing1.40Å1.38ÅAromatic
N33N34sing1.28Å1.37ÅAromatic
C26C28doub1.38Å1.37ÅAromatic
N21C20sing1.32Å1.37ÅAromatic
N21O22sing1.42Å1.26Å
C30N31sing1.40Å1.41Å
C30C29doub1.39Å1.38ÅAromatic
N31N35sing1.41Å1.35ÅAromatic
C7C6sing1.41Å1.41ÅAromatic
C28C29sing1.38Å1.38ÅAromatic
N34N35doub1.29Å1.33ÅAromatic
C10C6doub1.36Å1.38ÅAromatic
C6C5sing1.48Å1.44Å
C5C4doub1.40Å1.37ÅAromatic
C5C36sing1.40Å1.37ÅAromatic
C4C3sing1.38Å1.37ÅAromatic
F37C36sing1.35Å1.33Å
C36N38doub1.32Å1.33ÅAromatic
C3C2doub1.39Å1.37ÅAromatic
N38C2sing1.32Å1.33ÅAromatic
C2N1sing1.39Å1.40Å
C18H54sing1.08Å1.08Å
C4H42sing1.08Å1.08Å
C29H57sing1.08Å1.08Å
C28H56sing1.08Å1.08Å
C17H53sing1.08Å1.08Å
C3H41sing1.08Å1.08Å
C7H43sing1.08Å1.08Å
C10H44sing1.08Å1.08Å
C20H55sing1.08Å1.08Å
C32H58sing1.08Å1.08Å
C14H50sing1.09Å1.10Å
C14H49sing1.09Å1.10Å
C15H51sing1.09Å1.10Å
C15H52sing1.09Å1.10Å
C13H48sing1.09Å1.10Å
C12H47sing1.09Å1.10Å
C12H46sing1.09Å1.10Å
C11H45sing1.09Å1.10Å
N1H39sing0.97Å1.00Å
N1H40sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13C15C1460.2°60.0°
C15C13C12117.1°117.5°
C15C13C1459.8°60.0°
C13C15H51120.0°117.5°
C13C15H52120.0°117.5°
C15C13H48116.3°117.5°
C15C14C1360.0°60.0°
C15C14H50120.0°117.5°
C15C14H49120.0°117.5°
C14C15H51120.0°117.5°
C14C15H52120.0°117.5°
C12C13C14118.9°117.5°
C13C12C11108.8°109.5°
C12C13H48116.5°115.5°
C13C12H47109.6°109.4°
C13C12H46109.7°109.5°
C13C14H50120.0°117.5°
C13C14H49120.0°117.5°
C14C13H48116.3°117.5°
C12C11C16112.6°109.5°
C12C11N9109.6°109.5°
C11C12H47109.6°109.4°
C11C12H46109.6°109.5°
C12C11H45106.8°109.5°
C18C17C16120.6°119.3°
C17C18C19121.3°118.3°
C17C18H54119.4°120.8°
C18C17H53119.7°120.3°
C17C16C11125.9°119.5°
C17C16N21118.4°121.1°
C16C17H53119.7°120.4°
C18C19C23122.8°120.5°
C18C19C20116.0°118.9°
C19C18H54119.4°120.9°
C16C11N9113.5°109.5°
C11C16N21115.7°119.5°
C16C11H45106.6°109.5°
C11N9N8118.6°125.9°
C11N9C10126.5°125.9°
N9C11H45107.5°109.5°
C16N21C20120.7°121.8°
C16N21O22118.8°119.1°
F25C24C23120.8°120.0°
F25C24C26117.5°120.1°
N9N8C7102.2°108.5°
N8N9C10114.9°108.2°
N8C7C6113.9°108.1°
N8C7H43123.1°125.9°
C23C19C20121.2°120.5°
C19C23C24118.1°120.2°
C19C23C30124.7°120.2°
C19C20N21123.0°120.6°
C19C20H55118.5°119.7°
N33C32N31108.8°107.3°
C32N33N34105.6°110.6°
N33C32H58125.6°126.3°
C32N31C30127.1°127.4°
C32N31N35109.0°105.2°
N31C32H58125.6°126.4°
N9C10C6105.2°107.5°
N9C10H44127.4°126.3°
C23C24C26121.7°119.9°
C24C23C30117.1°119.6°
C24C26CL27119.3°119.9°
C24C26C28121.0°120.2°
CL27C26C28119.7°119.9°
C23C30N31121.7°120.1°
C23C30C29121.5°119.8°
N33N34N35111.3°110.2°
C26C28C29118.3°120.4°
C26C28H56120.9°119.8°
C20N21O22120.5°119.1°
N21C20H55118.5°119.8°
N31C30C29116.8°120.1°
C30N31N35123.6°127.4°
C30C29C28120.3°120.1°
C30C29H57119.8°119.9°
N31N35N34105.3°106.7°
C7C6C10103.9°107.6°
C7C6C5127.7°126.2°
C6C7H43123.0°125.9°
C28C29H57119.9°120.0°
C29C28H56120.8°119.8°
C10C6C5128.4°126.2°
C6C10H44127.4°126.2°
C6C5C4117.6°120.5°
C6C5C36125.2°120.5°
C4C5C36117.1°119.0°
C5C4C3119.6°118.5°
C5C4H42120.2°120.8°
C5C36F37119.1°119.6°
C5C36N38124.8°120.6°
C4C3C2118.9°119.2°
C3C4H42120.2°120.8°
C4C3H41120.5°120.4°
F37C36N38116.1°119.8°
C36N38C2116.6°121.7°
C3C2N38122.9°120.9°
C3C2N1117.1°119.5°
C2C3H41120.5°120.4°
N38C2N1120.0°119.5°
C2N1H39109.5°120.0°
C2N1H40109.5°120.0°
H50C14H49109.4°115.5°
H51C15H52109.4°115.5°
H47C12H46109.4°109.5°
H39N1H40109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13C15C14H51109.6°107.5°
C13C15C14H52109.5°107.5°
C15C13C12C1468.7°68.6°
C15C13C12H48144.3°145.7°
C15C13C14H48106.5°107.5°
C15C13C12C11138.2°175.0°
C13C15C14H50109.5°107.5°
C13C15C14H49109.4°107.4°
C13C15H51H52144.6°145.7°
C15C13C12H47101.9°55.0°
C15C13C12H4618.3°65.0°
C15C14H50H49144.8°145.8°
C14C15H51H52144.6°145.6°
C12C13C14H48147.1°145.0°
C13C12C11H47119.9°120.0°
C13C12C11H46119.9°120.1°
C13C12C11C16179.5°175.0°
C13C12C11N952.3°65.0°
C12C13C14H503.1°0.0°
C12C13C14H49144.2°145.0°
C12C13C15H510.3°145.0°
C12C13C15H52141.2°0.0°
C13C12H47H46120.3°120.0°
C13C12C11H4563.9°55.0°
C14C13C12C1169.5°116.4°
C13C14H50H49144.7°145.6°
C14C13C12H47170.6°123.6°
C14C13C12H4650.4°3.6°
C12C11C16C1729.3°35.9°
C12C11C16N9125.2°120.0°
C12C11C16H45116.7°120.0°
C12C11N9H45115.7°120.0°
C12C11C16N21150.2°144.1°
C12C11N9N867.0°144.5°
C12C11N9C10114.0°35.8°
C11C12C13H4877.5°29.3°
C11C12H47H46120.3°120.0°
C18C17C16H53180.0°180.0°
C17C18C19H54180.0°179.8°
C18C17C16C11179.3°180.0°
C18C17C16N210.3°0.0°
C17C18C19C23178.7°179.8°
C17C18C19C200.1°0.2°
C16C17C18C190.0°0.0°
C17C16C11N21179.5°180.0°
C17C16C11N995.9°84.1°
C17C16N21C200.4°0.3°
C17C16N21O22179.5°180.0°
C16C17C18H54180.0°179.7°
C17C16C11H45146.1°155.9°
C18C19C23C20178.8°180.0°
C18C19C23C24112.5°65.1°
C18C19C23C3067.7°115.0°
C18C19C20N210.1°0.5°
C19C18C17H53180.0°180.0°
C18C19C20H55179.9°180.0°
C16C11N9H45117.5°120.0°
C16C11N9N859.7°95.5°
C16C11N9C10119.3°84.2°
C11C16N21C20179.1°179.7°
C11C16N21O220.0°0.0°
C11C16C17H530.7°0.0°
C16C11C12H4759.6°65.0°
C16C11C12H4660.5°55.0°
N9C11C16N2184.6°95.9°
C11N9N8C10179.1°179.8°
C11N9N8C7179.4°180.0°
C11N9C10C6179.5°179.8°
C11N9C10H440.5°0.2°
N9C11C12H4767.7°55.0°
N9C11C12H46172.2°175.0°
C16N21C20C190.4°0.6°
C16N21C20O22179.1°179.7°
N21C16C17H53179.7°180.0°
C16N21C20H55179.6°180.0°
N21C16C11H4533.5°24.1°
F25C24C23C191.5°0.1°
F25C24C23C26177.9°179.8°
F25C24C26CL271.2°0.3°
F25C24C23C30178.6°180.0°
F25C24C26C28179.1°180.0°
N9N8C7C60.1°0.0°
N8N9C10C60.5°0.4°
N9N8C7H43179.9°179.8°
N8N9C10H44179.5°180.0°
N8N9C11H45177.3°24.5°
C7N8N9C100.3°0.3°
N8C7C6H43180.0°179.8°
N8C7C6C100.2°0.2°
N8C7C6C5177.8°179.8°
C19C23C24C30179.9°179.9°
C19C23C24C26179.4°179.7°
C23C19C20N21178.9°179.5°
C19C23C30N312.4°0.0°
C19C23C30C29179.9°180.0°
C23C19C18H541.2°0.0°
C23C19C20H551.0°0.0°
C20C19C23C2466.3°114.9°
C20C19C23C30113.5°65.0°
C19C20N21H55180.0°179.4°
C19C20N21O22179.4°179.7°
C20C19C18H54179.9°180.0°
N33C32N31H58180.0°179.8°
N33C32N31C30174.5°180.0°
N33C32N31N350.4°0.0°
C32N33N34N350.3°0.0°
C32N31C30C23126.1°180.0°
N31C32N33N340.1°0.0°
C32N31C30N35173.3°180.0°
C32N31C30C2951.7°0.0°
C32N31N35N340.5°0.0°
N9C10C6C70.4°0.4°
N9C10C6H44180.0°179.6°
N9C10C6C5177.9°179.6°
C10N9C11H451.7°155.8°
C23C24C26CL27179.2°179.9°
C23C24C26C281.1°0.3°
C24C23C30N31177.7°179.9°
C24C23C30C290.0°0.1°
C24C26CL27C28179.7°179.7°
C26C24C23C300.7°0.2°
C24C26C28C290.8°0.0°
C24C26C28H56179.2°180.0°
CL27C26C28C29179.5°179.7°
CL27C26C28H560.5°0.3°
C23C30N31C29177.8°180.0°
C23C30N31N3547.2°0.0°
C23C30C29C280.3°0.3°
C23C30C29H57179.7°180.0°
N33N34N35N310.5°0.0°
N34N33C32H58180.0°179.8°
C26C28C29C300.1°0.3°
C26C28C29H56180.0°180.0°
C26C28C29H57179.9°180.0°
O22N21C20H550.6°0.3°
N31C30C29C28177.5°179.7°
C30N31N35N34174.9°180.0°
N31C30C29H572.5°0.0°
C30N31C32H585.6°0.2°
C29C30N31N35135.0°180.0°
C30C29C28H57180.0°179.7°
C30C29C28H56179.9°179.7°
N35N31C32H58179.7°179.8°
C7C6C10C5177.6°180.0°
C7C6C5C45.7°50.0°
C7C6C5C36176.4°130.1°
C7C6C10H44179.6°180.0°
C10C6C5C4171.4°130.0°
C10C6C5C366.6°50.0°
C10C6C7H43179.8°180.0°
C6C5C4C36178.1°180.0°
C6C5C4C3178.7°180.0°
C6C5C36F371.8°0.1°
C6C5C36N38178.9°179.5°
C6C5C4H421.3°0.2°
C5C6C7H432.2°0.0°
C5C6C10H442.1°0.0°
C5C4C3H42180.0°179.8°
C4C5C36F37179.8°180.0°
C4C5C36N380.9°0.5°
C5C4C3C20.4°0.2°
C5C4C3H41179.6°179.8°
C36C5C4C30.6°0.0°
C5C36F37N38179.4°179.5°
C5C36N38C20.8°0.8°
C36C5C4H42179.4°179.8°
C4C3C2H41180.0°180.0°
C4C3C2N380.3°0.1°
C4C3C2N1179.9°180.0°
F37C36N38C2179.8°179.7°
C36N38C2C30.5°0.6°
C36N38C2N1179.9°179.4°
C3C2N38N1179.6°180.0°
C2C3C4H42179.7°180.0°
C3C2N1H39179.6°0.0°
C3C2N1H4059.6°179.9°
N38C2C3H41179.7°179.9°
N38C2N1H390.0°179.9°
N38C2N1H40120.0°0.0°
N1C2C3H410.1°0.0°
C2N1H39H40120.0°179.9°
H54C18C17H530.0°0.3°
H42C4C3H410.3°0.0°
H57C29C28H560.1°0.0°
H50C14C15H510.1°145.0°
H50C14C15H52141.0°0.1°
H50C14C13H48144.0°144.9°
H49C14C15H51141.0°0.1°
H49C14C15H520.1°145.0°
H49C14C13H483.0°0.0°
H51C15C13H48144.0°0.0°
H52C15C13H483.1°145.0°
H48C13C12H4742.4°90.7°
H48C13C12H46162.6°149.3°
H47C12C11H45176.2°175.0°
H46C12C11H4556.1°65.0°

225946

PDB entries from 2024-10-09

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