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D6Z

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F16C13sing1.40Å1.34Å
F14C13sing1.40Å1.31Å
C13F15sing1.40Å1.33Å
C13C12sing1.53Å1.49Å
N11C12sing1.47Å1.45Å
N11C9sing1.35Å1.33Å
C8C9sing1.51Å1.52Å
C8N7sing1.46Å1.45Å
O18C17doub1.21Å1.22Å
C9O10doub1.21Å1.23Å
C17N7sing1.35Å1.36Å
C17C19sing1.51Å1.53Å
N7C6sing1.40Å1.39Å
C23C24sing1.53Å1.52Å
C23N22sing1.47Å1.46Å
C24C19sing1.53Å1.55Å
N22C21sing1.47Å1.47Å
N22C25sing1.35Å1.34Å
C21C20sing1.53Å1.52Å
C19C20sing1.53Å1.55Å
C19C36sing1.51Å1.51Å
C6C5doub1.39Å1.39ÅAromatic
C6C36sing1.39Å1.39ÅAromatic
O35C25doub1.22Å1.22Å
C25C26sing1.48Å1.50Å
C5C4sing1.38Å1.38ÅAromatic
C36C2doub1.38Å1.38ÅAromatic
C26C27doub1.40Å1.39ÅAromatic
C26N31sing1.32Å1.34ÅAromatic
C27C28sing1.37Å1.38ÅAromatic
C4C3doub1.38Å1.38ÅAromatic
C2C3sing1.38Å1.39ÅAromatic
C2BR1sing1.89Å1.91Å
N31C30doub1.33Å1.35ÅAromatic
C28C29doub1.39Å1.39ÅAromatic
C30C29sing1.41Å1.40ÅAromatic
C30C32sing1.46Å1.41ÅAromatic
C29N34sing1.37Å1.36ÅAromatic
N34N33sing1.40Å1.36ÅAromatic
C32N33doub1.30Å1.33ÅAromatic
C4H38sing1.08Å1.08Å
C5H39sing1.08Å1.08Å
C8H40sing1.09Å1.10Å
C8H41sing1.09Å1.10Å
C20H45sing1.09Å1.10Å
C20H46sing1.09Å1.10Å
C21H47sing1.09Å1.10Å
C21H48sing1.09Å1.10Å
C24H51sing1.09Å1.10Å
C24H52sing1.09Å1.10Å
C28H54sing1.08Å1.08Å
C12H43sing1.09Å1.10Å
C12H44sing1.09Å1.10Å
C23H49sing1.09Å1.10Å
C23H50sing1.09Å1.10Å
C27H53sing1.08Å1.08Å
C3H37sing1.08Å1.08Å
C32H55sing1.08Å1.08Å
N11H42sing0.97Å1.00Å
N34H56sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F16C13F14105.8°109.4°
F16C13F15108.4°109.4°
F16C13C12112.1°109.5°
F14C13F15105.8°109.5°
F14C13C12112.1°109.5°
F15C13C12112.1°109.5°
C13C12N11113.1°109.5°
C13C12H43108.6°109.5°
C13C12H44108.6°109.5°
C12N11C9122.5°120.0°
N11C12H43108.5°109.4°
N11C12H44108.5°109.5°
C12N11H42118.7°120.0°
N11C9C8115.9°120.0°
N11C9O10123.1°120.0°
C9N11H42118.7°120.0°
C9C8N7110.6°109.5°
C8C9O10120.9°120.0°
C9C8H40109.2°109.5°
C9C8H41109.2°109.5°
C8N7C17123.3°123.9°
C8N7C6125.2°123.9°
N7C8H40109.1°109.4°
N7C8H41109.2°109.5°
O18C17N7125.7°126.5°
O18C17C19126.3°126.5°
N7C17C19107.9°107.0°
C17N7C6111.4°112.2°
C17C19C24107.6°110.3°
C17C19C20112.0°110.3°
C17C19C36102.1°104.5°
N7C6C5128.0°130.8°
N7C6C36110.2°110.2°
C24C23N22107.8°108.8°
C23C24C19112.8°109.3°
C23C24H51108.6°109.5°
C23C24H52108.6°109.5°
C24C23H49109.9°109.6°
C24C23H50109.9°109.6°
C23N22C21110.3°118.8°
C23N22C25123.5°120.6°
N22C23H49109.9°109.6°
N22C23H50109.9°109.6°
C24C19C20111.0°110.6°
C24C19C36110.1°110.5°
C19C24H51108.6°109.5°
C19C24H52108.6°109.5°
C21N22C25126.1°120.5°
N22C21C20111.3°108.7°
N22C21H47109.0°109.6°
N22C21H48109.0°109.7°
N22C25O35122.6°120.0°
N22C25C26118.8°120.0°
C21C20C19112.4°109.4°
C21C20H45108.7°109.5°
C21C20H46108.7°109.5°
C20C21H47109.0°109.6°
C20C21H48109.0°109.6°
C20C19C36113.5°110.5°
C19C20H45108.7°109.5°
C19C20H46108.7°109.5°
C19C36C6108.2°106.2°
C19C36C2133.7°133.2°
C5C6C36121.8°119.0°
C6C5C4118.8°120.2°
C6C5H39120.6°119.9°
C6C36C2118.1°120.7°
O35C25C26118.5°120.0°
C25C26C27121.3°119.4°
C25C26N31115.2°119.4°
C5C4C3120.6°120.3°
C5C4H38119.7°119.9°
C4C5H39120.6°119.9°
C36C2C3121.2°120.0°
C36C2BR1121.8°120.0°
C27C26N31123.3°121.2°
C26C27C28118.2°119.7°
C26C27H53120.9°120.1°
C26N31C30120.3°121.2°
C27C28C29117.8°118.5°
C27C28H54121.1°120.8°
C28C27H53120.9°120.2°
C4C3C2119.5°119.8°
C3C4H38119.7°119.8°
C4C3H37120.3°120.0°
C3C2BR1117.0°120.0°
C2C3H37120.2°120.1°
N31C30C29118.1°120.3°
N31C30C32134.9°133.7°
C28C29C30122.3°119.2°
C28C29N34133.3°134.0°
C29C28H54121.1°120.8°
C29C30C32107.0°106.0°
C30C29N34104.4°106.9°
C30C32N33109.6°107.9°
C30C32H55125.2°126.1°
C29N34N33112.7°109.1°
C29N34H56123.6°125.4°
N34N33C32106.3°110.1°
N33N34H56123.7°125.5°
N33C32H55125.2°126.1°
H40C8H41109.5°109.5°
H45C20H46109.5°109.5°
H47C21H48109.5°109.6°
H51C24H52109.5°109.5°
H43C12H44109.5°109.5°
H49C23H50109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F16C13F14F15115.0°119.9°
F16C13F14C12122.5°120.0°
F16C13F15C12124.3°120.0°
F16C13C12N1153.3°180.0°
F16C13C12H4367.2°60.0°
F16C13C12H44173.8°60.0°
F14C13F15C12122.5°120.0°
F14C13C12N1165.6°60.0°
F14C13C12H43173.9°59.9°
F14C13C12H4454.9°180.0°
F15C13C12N11175.5°60.0°
F15C13C12H4355.0°180.0°
F15C13C12H4463.9°60.0°
C13C12N11H43120.5°120.0°
C13C12N11H44120.6°120.0°
C13C12N11C9120.0°180.0°
C13C12H43H44118.4°120.0°
C13C12N11H4260.0°0.0°
C12N11C9H42180.0°180.0°
C12N11C9C8172.2°180.0°
C12N11C9O106.6°0.0°
N11C12H43H44118.3°120.0°
N11C9C8O10178.8°180.0°
N11C9C8N7169.2°180.0°
N11C9C8H4070.6°60.1°
N11C9C8H4149.0°60.0°
C9N11C12H43119.5°60.0°
C9N11C12H440.5°60.0°
C9C8N7H40120.2°120.0°
C9C8N7H41120.1°120.0°
C9C8N7C1789.1°89.9°
C9C8N7C687.4°90.0°
C9C8H40H41119.5°120.0°
C8C9N11H427.8°0.0°
C8N7C17O180.5°0.1°
N7C8C9O109.6°0.0°
C8N7C17C6177.0°180.0°
C8N7C17C19179.4°179.9°
C8N7C6C52.1°0.0°
C8N7C6C36178.5°180.0°
N7C8H40H41119.5°120.0°
O18C17N7C19178.9°180.0°
O18C17N7C6177.5°180.0°
O18C17C19C2467.1°61.2°
O18C17C19C2055.2°61.4°
O18C17C19C36177.0°179.9°
O10C9C8H40110.5°120.0°
O10C9C8H41129.8°120.0°
O10C9N11H42173.4°180.0°
N7C17C19C24111.8°118.8°
N7C17C19C20125.9°118.7°
N7C17C19C364.1°0.0°
C17N7C6C5179.0°180.0°
C17N7C6C361.6°0.0°
C17N7C8H4031.0°30.0°
C17N7C8H41150.7°150.0°
C19C17N7C63.6°0.0°
C17C19C24C2375.6°62.1°
C17C19C24C20122.9°122.3°
C17C19C24C36110.5°115.0°
C17C19C20C2176.8°62.0°
C17C19C20C36115.0°115.0°
C17C19C36C63.2°0.0°
C17C19C36C2178.9°179.7°
C17C19C20H4543.7°58.0°
C17C19C20H46162.8°178.0°
C17C19C24H51163.9°57.9°
C17C19C24H5244.9°178.0°
N7C6C36C191.2°0.0°
N7C6C5C36179.4°180.0°
N7C6C5C4178.6°180.0°
N7C6C36C2179.6°179.8°
N7C6C5H391.4°0.0°
C6N7C8H40152.4°150.0°
C6N7C8H4132.7°30.0°
C24C23N22H49119.7°119.7°
C24C23N22H50119.8°119.8°
C23C24C19H51120.5°119.9°
C23C24C19H52120.5°120.0°
C24C23N22C2166.1°54.0°
C24C23N22C25110.6°126.0°
C23C24C19C2047.3°60.3°
C23C24C19C36173.9°177.1°
C23C24H51H52118.5°120.1°
C24C23H49H50120.8°120.4°
N22C23C24C1958.1°53.9°
C23N22C21C25176.6°180.0°
C23N22C21C2064.3°54.0°
C23N22C25O354.3°7.9°
C23N22C25C26172.7°172.2°
C23N22C21H4756.0°173.8°
C23N22C21H48175.5°65.8°
N22C23C24H5162.4°173.9°
N22C23C24H52178.6°66.1°
N22C23H49H50120.7°120.4°
C24C19C20C2143.5°60.3°
C24C19C20C36124.7°122.7°
C24C19C36C6110.9°118.7°
C24C19C36C267.1°61.6°
C24C19C20H45164.0°179.7°
C24C19C20H4676.9°59.7°
C19C24H51H52118.4°120.1°
C19C24C23H4961.6°65.8°
C19C24C23H50177.8°173.7°
N22C21C20H47120.3°119.7°
N22C21C20H48120.3°119.9°
N22C21C20C1952.1°53.9°
C21N22C25O35179.6°172.2°
C21N22C25C263.5°7.8°
N22C21C20H45172.5°173.9°
N22C21C20H4668.4°66.1°
N22C21H47H48119.2°120.5°
C21N22C23H4953.7°65.7°
C21N22C23H50174.2°173.8°
C25N22C21C20112.3°126.0°
N22C25O35C26177.0°180.0°
N22C25C26C27134.9°170.1°
N22C25C26N3150.0°9.6°
C25N22C21H47127.5°6.2°
C25N22C21H488.0°114.2°
C25N22C23H49129.7°114.2°
C25N22C23H509.2°6.2°
C21C20C19H45120.4°120.0°
C21C20C19H46120.5°120.0°
C21C20C19C36168.2°177.0°
C21C20H45H46118.7°120.0°
C20C21H47H48119.2°120.3°
C20C19C36C6123.9°118.6°
C20C19C36C258.1°61.1°
C19C20H45H46118.6°120.1°
C19C20C21H4768.2°173.7°
C19C20C21H48172.3°66.0°
C20C19C24H5173.2°179.8°
C20C19C24H52167.8°59.7°
C19C36C6C5178.2°180.0°
C19C36C6C2178.3°179.7°
C19C36C2C3176.9°179.8°
C19C36C2BR11.6°0.4°
C36C19C20H4571.4°57.0°
C36C19C20H4647.7°63.0°
C36C19C24H5153.4°57.1°
C36C19C24H5265.6°63.0°
C6C5C4H39180.0°180.0°
C5C6C36C20.1°0.2°
C6C5C4C30.9°0.0°
C6C5C4H38179.1°179.7°
C36C6C5C40.8°0.0°
C6C36C2C30.9°0.5°
C6C36C2BR1179.4°180.0°
C36C6C5H39179.2°180.0°
O35C25C26C2748.0°9.8°
O35C25C26N31127.1°170.4°
C25C26C27N31174.7°179.7°
C25C26C27C28177.7°179.7°
C25C26N31C30178.2°179.7°
C25C26C27H532.3°0.3°
C5C4C3H38180.0°179.7°
C5C4C3C20.1°0.3°
C5C4C3H37179.9°179.7°
C36C2C3C40.8°0.6°
C36C2C3BR1178.6°179.4°
C36C2C3H37179.2°179.4°
C26C27C28H53180.0°180.0°
C27C26N31C303.3°0.0°
C26C27C28C291.2°0.0°
C26C27C28H54178.8°180.0°
N31C26C27C283.0°0.0°
C26N31C30C291.7°0.1°
C26N31C30C32179.6°180.0°
N31C26C27H53177.0°180.0°
C27C28C29H54180.0°180.0°
C27C28C29C300.2°0.0°
C27C28C29N34179.9°179.9°
C4C3C2H37180.0°180.0°
C4C3C2BR1179.4°180.0°
C3C4C5H39179.1°180.0°
C2C3C4H38179.9°180.0°
BR1C2C3H370.6°0.0°
N31C30C29C280.0°0.1°
N31C30C29C32179.1°180.0°
N31C30C29N34179.9°180.0°
N31C30C32N33179.9°180.0°
N31C30C32H550.1°0.0°
C28C29C30N34179.9°179.9°
C28C29C30C32179.1°179.9°
C28C29N34N33179.7°179.9°
C29C28C27H53178.8°180.0°
C28C29N34H560.3°0.1°
C30C29N34N330.2°0.1°
C29C30C32N331.3°0.0°
C30C29C28H54179.8°180.0°
C29C30C32H55178.7°180.0°
C30C29N34H56179.8°180.0°
C32C30C29N340.9°0.0°
C30C32N33N341.1°0.0°
C30C32N33H55180.0°180.0°
C29N34N33H56180.0°179.9°
C29N34N33C320.6°0.1°
N34C29C28H540.1°0.1°
N34N33C32H55178.9°180.0°
C32N33N34H56179.4°180.0°
H38C4C5H390.9°0.3°
H38C4C3H370.1°0.0°
H45C20C21H4752.2°66.3°
H45C20C21H4867.2°54.0°
H46C20C21H47171.4°53.7°
H46C20C21H4851.9°174.0°
H51C24C23H49177.9°54.1°
H51C24C23H5057.3°66.4°
H52C24C23H4958.8°174.2°
H52C24C23H5061.7°53.7°
H54C28C27H531.2°0.0°
H43C12N11H4260.6°120.0°
H44C12N11H42179.5°120.0°

224931

PDB entries from 2024-09-11

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