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9F1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL1C12sing1.74Å1.71Å
F36C31sing1.35Å1.35Å
C30C31doub1.38Å1.37ÅAromatic
C30C29sing1.38Å1.39ÅAromatic
C39C29sing1.51Å1.51Å
C4C16sing1.51Å1.50Å
C4C2sing1.53Å1.54Å
C16C27doub1.31Å1.32Å
N11C12sing1.36Å1.39ÅAromatic
N11C3sing1.36Å1.36ÅAromatic
C31C32sing1.40Å1.39ÅAromatic
C29C28doub1.38Å1.39ÅAromatic
C12C13doub1.37Å1.36ÅAromatic
N37C2sing1.46Å1.45Å
N37C35sing1.35Å1.35Å
C2C3sing1.51Å1.51Å
C3N14doub1.30Å1.32ÅAromatic
C27C17sing1.51Å1.50Å
C32C33doub1.40Å1.39ÅAromatic
C32C35sing1.48Å1.51Å
C28C33sing1.38Å1.37ÅAromatic
C17C26sing1.53Å1.53Å
C17C18sing1.53Å1.54Å
O25C19doub1.21Å1.23Å
C33F34sing1.35Å1.35Å
C35O38doub1.22Å1.23Å
C13N14sing1.34Å1.38ÅAromatic
C13C5sing1.48Å1.48Å
C19C18sing1.51Å1.51Å
C19N15sing1.35Å1.35Å
C5C6doub1.40Å1.40ÅAromatic
C5C10sing1.39Å1.41ÅAromatic
C6C7sing1.38Å1.39ÅAromatic
N15C10sing1.40Å1.42Å
C10C9doub1.40Å1.39ÅAromatic
C7C8doub1.39Å1.39ÅAromatic
C9C8sing1.38Å1.39ÅAromatic
C8N20sing1.40Å1.43Å
O23C21doub1.22Å1.21Å
N20C21sing1.35Å1.36Å
C21O22sing1.35Å1.35Å
O22C24sing1.45Å1.45Å
C18H50sing1.09Å1.10Å
C18H51sing1.09Å1.10Å
C17H49sing1.09Å1.10Å
C16H48sing1.08Å1.08Å
C24H53sing1.09Å1.10Å
C24H54sing1.09Å1.10Å
C24H55sing1.09Å1.10Å
C27H59sing1.08Å1.08Å
C2H40sing1.09Å1.10Å
C4H41sing1.09Å1.10Å
C4H42sing1.09Å1.10Å
C6H43sing1.08Å1.08Å
C7H44sing1.08Å1.08Å
C9H45sing1.08Å1.08Å
N11H46sing0.97Å1.00Å
N15H47sing0.97Å1.00Å
N20H52sing0.97Å1.00Å
C26H57sing1.09Å1.10Å
C26H58sing1.09Å1.10Å
C26H56sing1.09Å1.10Å
C28H60sing1.08Å1.08Å
C30H61sing1.08Å1.08Å
N37H62sing0.97Å1.00Å
C39H64sing1.09Å1.10Å
C39H63sing1.09Å1.10Å
C39H65sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL1C12N11122.4°126.7°
CL1C12C13130.8°126.7°
F36C31C30118.3°120.1°
F36C31C32117.8°120.1°
C31C30C29119.6°120.2°
C30C31C32123.9°119.8°
C31C30H61120.2°120.0°
C30C29C39120.8°119.9°
C30C29C28118.4°120.4°
C29C30H61120.2°119.9°
C39C29C28120.8°119.8°
C29C39H64109.5°109.5°
C29C39H63109.5°109.4°
C29C39H65109.4°109.5°
C16C4C2113.8°108.6°
C4C16C27125.0°119.9°
C4C16H48117.5°119.9°
C16C4H41108.4°109.6°
C16C4H42108.4°109.6°
C4C2N37110.5°109.3°
C4C2C3112.8°110.2°
C4C2H40107.1°109.4°
C2C4H41108.4°109.6°
C2C4H42108.4°109.6°
C16C27C17125.9°119.4°
C27C16H48117.5°120.2°
C16C27H59117.1°120.5°
C12N11C3105.7°107.4°
N11C12C13106.7°106.7°
C12N11H46127.2°126.3°
N11C3C2122.9°123.9°
N11C3N14112.7°108.7°
C3N11H46127.2°126.3°
C31C32C33114.6°119.6°
C31C32C35123.0°120.2°
C29C28C33119.6°120.2°
C29C28H60120.2°119.9°
C12C13N14109.5°107.6°
C12C13C5129.9°123.0°
C2N37C35123.1°120.0°
N37C2C3110.6°109.4°
N37C2H40108.1°109.3°
C2N37H62118.5°120.0°
N37C35C32115.7°120.0°
N37C35O38123.3°120.0°
C35N37H62118.4°120.0°
C2C3N14124.1°127.4°
C3C2H40107.5°109.4°
C3N14C13105.4°109.6°
C27C17C26111.6°109.5°
C27C17C18111.2°109.3°
C27C17H49108.2°109.5°
C17C27H59117.1°120.1°
C33C32C35122.4°120.2°
C32C33C28123.9°119.8°
C32C33F34117.6°120.1°
C32C35O38121.0°120.0°
C28C33F34118.5°120.1°
C33C28H60120.2°119.9°
C26C17C18110.2°109.5°
C26C17H49107.9°109.5°
C17C26H57109.5°109.5°
C17C26H58109.5°109.5°
C17C26H56109.5°109.5°
C17C18C19112.7°110.7°
C17C18H50108.6°109.2°
C17C18H51108.7°109.2°
C18C17H49107.7°109.5°
O25C19C18121.5°120.6°
O25C19N15123.6°120.5°
N14C13C5120.6°129.5°
C13C5C6119.0°116.9°
C13C5C10122.2°123.5°
C18C19N15115.0°118.9°
C19C18H50108.7°109.3°
C19C18H51108.6°109.2°
C19N15C10124.6°121.4°
C19N15H47117.7°119.3°
C6C5C10118.7°119.6°
C5C6C7121.1°120.5°
C5C6H43119.4°119.8°
C5C10N15120.1°125.1°
C5C10C9119.5°119.3°
C6C7C8120.3°120.0°
C7C6H43119.4°119.8°
C6C7H44119.9°120.1°
N15C10C9120.3°115.6°
C10N15H47117.7°119.3°
C10C9C8121.2°120.4°
C10C9H45119.4°119.8°
C7C8C9119.1°120.1°
C7C8N20124.9°119.9°
C8C7H44119.8°120.0°
C9C8N20115.8°120.0°
C8C9H45119.4°119.8°
C8N20C21127.9°120.0°
C8N20H52116.0°120.0°
O23C21N20126.2°120.0°
O23C21O22124.3°120.0°
N20C21O22109.5°120.0°
C21N20H52116.1°120.0°
C21O22C24116.2°117.0°
O22C24H53109.5°109.4°
O22C24H54109.5°109.5°
O22C24H55109.5°109.5°
H50C18H51109.5°109.2°
H53C24H54109.4°109.5°
H53C24H55109.5°109.5°
H54C24H55109.5°109.5°
H41C4H42109.5°109.7°
H57C26H58109.5°109.5°
H57C26H56109.5°109.4°
H58C26H56109.5°109.4°
H64C39H63109.5°109.4°
H64C39H65109.5°109.5°
H63C39H65109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL1C12N11C13179.2°179.9°
CL1C12N11C3178.7°179.7°
CL1C12C13N14179.6°179.1°
CL1C12C13C53.0°1.7°
CL1C12N11H461.2°0.3°
F36C31C30C32177.4°179.8°
F36C31C30C29176.8°180.0°
F36C31C32C33175.9°179.7°
F36C31C32C352.6°0.2°
F36C31C30H613.2°0.2°
C31C30C29H61180.0°179.8°
C31C30C29C39178.5°180.0°
C31C30C29C280.2°0.1°
C30C31C32C331.6°0.5°
C30C31C32C35180.0°180.0°
C30C29C39C28178.2°179.9°
C29C30C31C320.6°0.2°
C30C29C28C330.0°0.1°
C30C29C28H60180.0°180.0°
C30C29C39H6489.1°90.0°
C30C29C39H63150.9°29.9°
C30C29C39H6530.9°149.9°
C39C29C28C33178.3°180.0°
C39C29C28H601.7°0.1°
C39C29C30H611.5°0.2°
C29C39H64H63120.0°119.9°
C29C39H64H65120.0°120.1°
C29C39H63H65120.0°120.0°
C16C4C2H41120.6°119.8°
C16C4C2H42120.7°119.7°
C4C16C27H48180.0°178.4°
C16C4C2N37168.2°51.6°
C16C4C2C343.8°68.6°
C4C16C27C17178.7°177.2°
C4C16C27H591.3°2.4°
C16C4C2H4074.3°171.2°
C16C4H41H42118.0°120.4°
C2C4C16C2755.4°132.4°
C4C2C3N1158.2°170.4°
C4C2N37C3125.6°120.6°
C4C2N37H40116.9°119.6°
C4C2N37C35160.4°154.3°
C4C2C3H40117.9°120.2°
C4C2C3N14115.9°10.0°
C2C4C16H48124.6°46.0°
C2C4H41H42118.0°120.4°
C4C2N37H6219.6°25.6°
C16C27C17H59180.0°179.6°
C16C27C17C26104.8°120.1°
C16C27C17C18131.8°120.0°
C16C27C17H4913.7°0.0°
C27C16C4H41176.0°107.9°
C27C16C4H4265.3°12.7°
C12N11C3H46180.0°180.0°
C12N11C3C2173.4°179.0°
C12N11C3N141.3°1.4°
N11C12C13N140.4°0.8°
N11C12C13C5176.1°178.3°
C3N11C12C130.5°0.3°
N11C3C2N3766.1°69.5°
N11C3C2N14174.1°179.6°
N11C3N14C131.6°1.9°
N11C3C2H40176.1°50.2°
C31C32C35N3773.2°90.0°
C31C32C33C35178.5°179.5°
C31C32C33C281.8°0.5°
C31C32C33F34176.2°179.7°
C31C32C35O38108.5°90.0°
C32C31C30H61179.4°180.0°
C29C28C33C321.0°0.2°
C29C28C33H60180.0°180.0°
C29C28C33F34176.9°180.0°
C28C29C30H61179.8°179.7°
C28C29C39H6489.1°90.1°
C28C29C39H6330.9°150.0°
C28C29C39H65150.9°30.0°
C12C13N14C31.2°1.7°
C12C13N14C5176.9°179.1°
C12C13C5C649.1°4.5°
C12C13C5C10132.3°175.1°
C13C12N11H46179.5°179.7°
C2N37C35H62180.0°179.9°
N37C2C3H40117.8°119.7°
N37C2C3N14119.8°110.0°
C2N37C35C32173.5°180.0°
C2N37C35O384.8°0.0°
N37C2C4H4147.5°68.2°
N37C2C4H4271.2°171.3°
C35N37C2C374.0°85.0°
N37C35C32C33105.2°89.5°
N37C35C32O38178.3°180.0°
C35N37C2H4043.5°34.7°
C2C3N14C13173.1°178.4°
C3C2C4H4176.8°171.7°
C3C2C4H42164.4°51.2°
C2C3N11H466.6°1.0°
C3C2N37H62106.0°95.0°
C3N14C13C5175.7°177.3°
N14C3C2H402.0°130.3°
N14C3N11H46178.7°178.6°
C27C17C26C18124.0°119.8°
C27C17C26H49118.7°120.1°
C27C17C18H49118.4°120.0°
C27C17C18C1968.2°33.3°
C27C17C18H5052.3°87.1°
C27C17C18H51171.3°153.5°
C17C27C16H481.3°1.2°
C27C17C26H57180.0°59.9°
C27C17C26H5860.0°60.2°
C27C17C26H5660.0°179.8°
C32C33C28F34177.9°179.8°
C33C32C35O3873.2°90.5°
C32C33C28H60179.0°179.8°
C35C32C33C28179.8°180.0°
C35C32C33F342.3°0.3°
C32C35N37H626.5°0.0°
C26C17C18H49117.4°120.1°
C26C17C18C19167.6°153.2°
C26C17C18H5071.9°32.8°
C26C17C18H5147.2°86.5°
C26C17C27H5975.2°60.3°
C17C26H57H58120.0°120.1°
C17C26H57H56120.0°120.0°
C17C26H58H56120.0°120.0°
C17C18C19O2548.5°57.1°
C17C18C19H50120.5°120.3°
C17C18C19H51120.5°120.2°
C17C18C19N15131.7°122.9°
C17C18H50H51118.5°119.4°
C18C17C27H5948.2°59.7°
C18C17C26H5756.0°59.9°
C18C17C26H5864.0°180.0°
C18C17C26H56176.1°60.0°
O25C19C18N15179.9°180.0°
O25C19N15C106.3°27.3°
O25C19C18H50168.9°177.4°
O25C19C18H5172.0°63.1°
O25C19N15H47173.7°152.7°
F34C33C28H603.1°0.0°
O38C35N37H62175.2°180.0°
N14C13C5C6134.7°174.4°
N14C13C5C1043.9°5.9°
C13C5C6C10178.6°179.6°
C13C5C6C7177.9°178.0°
C13C5C10N155.8°6.6°
C13C5C10C9177.3°176.8°
C13C5C6H432.1°2.0°
C18C19N15C10173.6°152.7°
C19C18H50H51118.5°119.5°
C19C18C17H4950.2°86.7°
C18C19N15H476.4°27.3°
C19N15C10C568.7°51.8°
C19N15C10H47180.0°180.0°
C19N15C10C9108.2°124.9°
N15C19C18H5011.2°2.6°
N15C19C18H51107.9°116.9°
C5C6C7H43180.0°180.0°
C6C5C10N15175.6°173.0°
C6C5C10C91.3°3.6°
C5C6C7C80.0°0.1°
C5C6C7H44180.0°179.9°
C10C5C6C70.7°2.4°
C5C10N15C9176.9°176.7°
C5C10C9C81.3°2.5°
C10C5C6H43179.3°177.7°
C5C10C9H45178.7°177.6°
C5C10N15H47111.3°128.2°
C6C7C8H44180.0°180.0°
C6C7C8C90.1°1.2°
C6C7C8N20175.3°178.7°
N15C10C9C8175.7°174.5°
N15C10C9H454.4°5.5°
C10C9C8C70.6°0.1°
C10C9C8H45180.0°179.9°
C10C9C8N20175.1°180.0°
C9C10N15H4771.8°55.1°
C7C8C9N20175.7°180.0°
C7C8N20C218.9°35.0°
C8C7C6H43180.0°179.9°
C7C8C9H45179.4°180.0°
C7C8N20H52171.1°144.9°
C9C8N20C21166.5°144.9°
C9C8C7H44179.9°178.8°
C9C8N20H5213.6°35.1°
C8N20C21O2311.5°4.6°
C8N20C21H52180.0°179.9°
C8N20C21O22168.9°175.4°
N20C8C7H444.7°1.3°
N20C8C9H454.9°0.0°
O23C21N20O22179.6°180.0°
O23C21O22C2410.2°0.0°
O23C21N20H52168.5°175.3°
N20C21O22C24169.4°180.0°
C21O22C24H53180.0°60.0°
C21O22C24H5460.0°180.0°
C21O22C24H5560.0°60.0°
O22C21N20H5211.1°4.7°
O22C24H53H54120.0°119.9°
O22C24H53H55120.0°120.0°
O22C24H54H55120.0°120.0°
H50C18C17H49170.6°152.9°
H51C18C17H4970.3°33.5°
H49C17C27H59166.2°179.6°
H49C17C26H5761.3°180.0°
H49C17C26H58178.7°59.9°
H49C17C26H5658.8°60.1°
H48C16C27H59178.7°179.2°
H48C16C4H414.0°73.7°
H48C16C4H42114.7°165.8°
H53C24H54H55120.0°120.0°
H40C2C4H41165.1°51.4°
H40C2C4H4246.4°69.1°
H40C2N37H62136.5°145.2°
H43C6C7H440.0°0.1°
H57C26H58H56120.0°119.9°
H64C39H63H65120.0°120.0°

223532

PDB entries from 2024-08-07

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