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3FD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18C17doub1.38Å1.39ÅAromatic
C18C13sing1.38Å1.41ÅAromatic
C17C16sing1.38Å1.38ÅAromatic
C16CL20sing1.74Å1.71Å
C16C15doub1.38Å1.39ÅAromatic
C15C14sing1.38Å1.40ÅAromatic
C15CL21sing1.74Å1.74Å
C14C13doub1.38Å1.39ÅAromatic
C13C12sing1.51Å1.52Å
C12N11sing1.47Å1.47Å
N11C6sing1.38Å1.33Å
C6N7doub1.31Å1.35ÅAromatic
C6N5sing1.37Å1.36ÅAromatic
N7C8sing1.36Å1.33ÅAromatic
C8C4doub1.40Å1.36ÅAromatic
C8C9sing1.40Å1.36ÅAromatic
C4N10sing1.39Å1.33Å
C4N1sing1.33Å1.34ÅAromatic
N1C2doub1.32Å1.34ÅAromatic
C2N3sing1.32Å1.33ÅAromatic
N3C9doub1.33Å1.34ÅAromatic
C9N5sing1.38Å1.33ÅAromatic
N5C21sing1.47Å1.52Å
C21O22sing1.44Å1.44Å
C21C24sing1.55Å1.51Å
O22C23sing1.44Å1.51Å
C24O26sing1.43Å1.43Å
C24C25sing1.54Å1.48Å
C25O27sing1.43Å1.41Å
C25C23sing1.54Å1.55Å
C23C28sing1.53Å1.57Å
C28O29sing1.43Å1.45Å
O29C30sing1.43Å1.43Å
C30C31sing1.51Å1.40Å
C31C32doub1.38Å1.39ÅAromatic
C31C36sing1.38Å1.41ÅAromatic
C32C33sing1.38Å1.39ÅAromatic
C33C34doub1.40Å1.40ÅAromatic
C34C37sing1.43Å1.45Å
C34C35sing1.40Å1.40ÅAromatic
C37N38trip1.14Å1.15Å
C35C36doub1.38Å1.40ÅAromatic
C18H18sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
N11HN11sing0.97Å1.00Å
N10HN10sing0.97Å1.00Å
N10HN1Asing0.97Å1.00Å
C2H2sing1.08Å1.08Å
C21H21sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
O26HO26sing0.97Å0.95Å
C25H25sing1.09Å1.10Å
O27HO27sing0.97Å0.95Å
C23H23sing1.09Å1.10Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
C32H32sing1.08Å1.08Å
C33H33sing1.08Å1.08Å
C35H35sing1.08Å1.08Å
C36H36sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C17C18C13120.0°120.1°
C18C17C16119.9°120.0°
C17C18H18120.0°119.9°
C18C17H17120.1°120.0°
C18C13C14120.0°120.0°
C18C13C12119.9°120.0°
C13C18H18120.0°120.0°
C17C16CL20119.5°120.0°
C17C16C15120.5°120.0°
C16C17H17120.0°120.0°
CL20C16C15120.0°120.0°
C16C15C14119.9°120.0°
C16C15CL21119.8°120.1°
C14C15CL21120.3°120.0°
C15C14C13119.7°120.0°
C15C14H14120.2°120.0°
C14C13C12120.1°120.0°
C13C14H14120.2°120.0°
C13C12N11109.2°109.4°
C13C12H12109.5°109.5°
C13C12H12A109.6°109.5°
C12N11C6119.9°120.0°
N11C12H12109.6°109.4°
N11C12H12A109.6°109.5°
C12N11HN11106.1°120.0°
N11C6N7125.8°125.1°
N11C6N5126.2°125.1°
C6N11HN11106.1°120.0°
N7C6N5108.0°109.7°
C6N7C8108.0°109.4°
C6N5C9107.8°107.5°
C6N5C21126.6°126.3°
N7C8C4132.5°134.5°
N7C8C9108.3°107.3°
C4C8C9119.2°118.2°
C8C4N10120.1°120.8°
C8C4N1119.5°118.4°
C8C9N3119.8°119.1°
C8C9N5107.9°106.1°
N10C4N1120.4°120.8°
C4N10HN10109.5°120.0°
C4N10HN1A109.4°120.0°
C4N1C2120.4°121.2°
N1C2N3120.7°122.4°
N1C2H2119.7°118.8°
C2N3C9120.4°120.7°
N3C2H2119.6°118.8°
N3C9N5132.3°134.8°
C9N5C21125.6°126.3°
N5C21O22110.0°110.4°
N5C21C24109.7°110.3°
N5C21H21107.4°110.3°
O22C21C24104.3°104.8°
C21O22C23105.4°105.3°
O22C21H21112.5°110.4°
C21C24O26109.6°110.5°
C21C24C25103.5°104.0°
C24C21H21112.9°110.5°
C21C24H24113.0°110.5°
O22C23C25105.5°104.8°
O22C23C28109.2°110.4°
O22C23H23112.7°110.4°
O26C24C25108.9°110.5°
O26C24H24108.0°110.5°
C24O26HO26109.5°114.0°
C24C25O27108.8°110.6°
C24C25C23104.4°104.1°
C25C24H24113.7°110.7°
C24C25H25113.2°110.5°
O27C25C23109.7°110.5°
O27C25H25108.2°110.4°
C25O27HO27109.5°114.0°
C25C23C28110.7°110.4°
C23C25H25112.4°110.6°
C25C23H23111.1°110.3°
C23C28O29108.8°109.5°
C28C23H23107.6°110.4°
C23C28H28109.7°109.5°
C23C28H28A109.9°109.5°
C28O29C30110.9°114.0°
O29C28H28109.7°109.4°
O29C28H28A109.9°109.5°
O29C30C31119.6°109.4°
O29C30H30106.2°109.5°
O29C30H30A103.9°109.4°
C30C31C32119.9°119.8°
C30C31C36120.0°119.9°
C31C30H30106.2°109.5°
C31C30H30A103.8°109.5°
C32C31C36120.1°120.3°
C31C32C33120.1°120.1°
C31C32H32120.0°120.0°
C31C36C35119.8°120.2°
C31C36H36120.1°119.9°
C32C33C34120.2°119.9°
C33C32H32119.9°119.9°
C32C33H33119.9°120.1°
C33C34C37119.8°120.2°
C33C34C35120.0°119.7°
C34C33H33119.9°120.0°
C37C34C35120.2°120.1°
C34C37N38178.0°180.0°
C34C35C36119.8°119.8°
C34C35H35120.1°120.1°
C36C35H35120.1°120.1°
C35C36H36120.1°119.9°
H12C12H12A109.3°109.4°
HN10N10HN1A109.5°120.0°
H28C28H28A108.9°109.5°
H30C30H30A117.8°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C17C18C13H18180.0°179.7°
C18C17C16H17180.0°180.0°
C18C17C16CL20179.8°180.0°
C18C17C16C150.9°0.0°
C17C18C13C140.5°0.0°
C17C18C13C12179.9°179.9°
C13C18C17C160.3°0.0°
C18C13C14C150.7°0.0°
C18C13C14C12179.4°179.9°
C18C13C12N1132.7°90.0°
C13C18C17H17179.7°180.0°
C18C13C14H14179.3°180.0°
C18C13C12H1287.3°150.0°
C18C13C12H12A152.8°30.0°
C17C16CL20C15179.3°180.0°
C17C16C15C140.8°0.0°
C17C16C15CL21179.1°179.9°
C16C17C18H18179.7°179.7°
CL20C16C15C14179.9°180.0°
CL20C16C15CL210.2°0.0°
CL20C16C17H170.3°0.0°
C16C15C14CL21179.9°179.9°
C16C15C14C130.0°0.0°
C15C16C17H17179.0°180.0°
C16C15C14H14180.0°180.0°
C15C14C13H14180.0°180.0°
C15C14C13C12179.9°179.9°
CL21C15C14C13179.9°180.0°
CL21C15C14H140.1°0.1°
C14C13C12N11146.8°90.0°
C14C13C18H18179.5°179.7°
C14C13C12H1293.2°29.9°
C14C13C12H12A26.7°150.0°
C13C12N11H12120.0°120.0°
C13C12N11H12A120.1°120.0°
C13C12N11C692.8°180.0°
C12C13C18H180.0°0.2°
C12C13C14H140.1°0.1°
C13C12H12H12A120.1°120.1°
C13C12N11HN1127.2°0.0°
C12N11C6HN11120.0°180.0°
C12N11C6N73.6°0.1°
C12N11C6N5174.8°179.7°
N11C12H12H12A120.1°120.0°
N11C6N7N5178.7°179.7°
N11C6N7C8178.4°179.9°
N11C6N5C9178.5°179.9°
N11C6N5C211.2°0.0°
C6N11C12H12147.2°59.9°
C6N11C12H12A27.3°60.0°
C6N7C8C4179.0°180.0°
C6N7C8C90.2°0.0°
N7C6N5C90.1°0.4°
N7C6N5C21179.8°179.7°
N7C6N11HN11116.4°180.0°
N5C6N7C80.2°0.3°
C6N5C9C80.0°0.4°
C6N5C9N3179.9°179.9°
C6N5C9C21179.7°179.9°
C6N5C21O2251.3°136.5°
C6N5C21C2462.9°108.2°
N5C6N11HN1165.2°0.3°
C6N5C21H21174.1°14.2°
N7C8C4C9178.7°180.0°
N7C8C4N100.6°0.0°
N7C8C4N1179.9°180.0°
N7C8C9N3180.0°180.0°
N7C8C9N50.1°0.2°
C8C4N10N1179.4°180.0°
C8C4N1C20.8°0.0°
C4C8C9N31.0°0.0°
C4C8C9N5179.1°179.8°
C8C4N10HN10139.4°0.0°
C8C4N10HN1A19.4°180.0°
C9C8C4N10179.3°180.0°
C9C8C4N11.3°0.0°
C8C9N3C20.3°0.0°
C8C9N3N5179.9°179.6°
C8C9N5C21179.7°179.7°
N10C4N1C2179.7°180.0°
C4N10HN10HN1A120.0°180.0°
C4N1C2N30.2°0.0°
N1C4N10HN1040.0°180.0°
N1C4N10HN1A160.1°0.1°
C4N1C2H2179.8°180.0°
N1C2N3H2180.0°180.0°
N1C2N3C90.1°0.0°
C2N3C9N5179.8°179.7°
N3C9N5C210.2°0.1°
C9N3C2H2179.9°180.0°
C9N5C21O22128.3°43.6°
C9N5C21C24117.5°71.7°
C9N5C21H215.5°166.0°
N5C21O22C24117.6°118.8°
N5C21O22H21119.7°122.2°
N5C21C24H21119.7°122.2°
N5C21O22C23153.0°159.3°
N5C21C24O2683.9°98.6°
N5C21C24C25160.1°142.8°
N5C21C24H2436.6°24.0°
O22C21C24H21122.4°118.9°
O22C21C24O26158.3°142.6°
O22C21C24C2542.3°24.0°
C21O22C23C2515.9°40.5°
C21O22C23C28134.9°159.3°
O22C21C24H2481.2°94.8°
C21O22C23H23105.6°78.3°
C24C21O22C2335.4°40.5°
C21C24O26C25112.6°114.6°
C21C24O26H24123.5°122.6°
C21C24C25H24123.0°118.7°
C21C24C25O2786.1°118.7°
C21C24C25C2331.0°0.1°
C21C24O26HO2614.8°180.0°
C21C24C25H25153.6°118.8°
O22C23C25C2410.1°23.9°
O22C23C25O27106.4°142.6°
O22C23C25C28118.0°118.9°
O22C23C25H23122.4°118.8°
O22C23C28H23122.6°122.3°
O22C23C28O2951.6°66.5°
C23O22C21H2187.2°78.4°
O22C23C25H25133.2°94.7°
O22C23C28H2868.4°173.6°
O22C23C28H28A171.9°53.5°
O26C24C25H24120.5°122.7°
O26C24C25O2730.5°0.1°
O26C24C25C23147.6°118.6°
O26C24C21H2135.9°23.7°
O26C24C25H2589.9°122.6°
C24C25O27C23113.6°114.7°
C24C25O27H25123.4°122.6°
C24C25C23H25123.1°118.7°
C24C25C23C28107.9°142.8°
C25C24C21H2180.2°94.9°
C25C24O26HO26127.4°65.4°
C24C25O27HO27126.9°61.3°
C24C25C23H23132.5°94.9°
O27C25C23H25120.5°122.6°
O27C25C23C28135.7°98.5°
O27C25C24H24151.0°122.6°
O27C25C23H2316.1°23.9°
C25C23C28H23121.7°122.3°
C25C23C28O2964.1°178.1°
C23C25C24H2491.9°118.6°
C23C25O27HO27119.4°176.1°
C25C23C28H28175.9°58.2°
C25C23C28H28A56.2°61.8°
C23C28O29H28120.0°120.0°
C23C28O29H28A120.3°120.0°
C23C28O29C30172.0°180.0°
C28C23C25H2515.2°24.1°
C23C28H28H28A120.3°120.0°
C28O29C30C31162.9°180.0°
O29C28C23H23174.2°55.9°
O29C28H28H28A120.3°120.0°
C28O29C30H3077.1°60.0°
C28O29C30H30A47.8°60.0°
O29C30C31H30120.0°120.0°
O29C30C31H30A115.1°119.9°
O29C30C31C32112.4°90.1°
O29C30C31C3666.9°90.3°
C30O29C28H2868.0°60.0°
C30O29C28H28A51.7°60.0°
O29C30H30H30A115.9°120.0°
C30C31C32C36179.3°179.6°
C30C31C32C33179.2°179.9°
C30C31C36C35179.0°179.8°
C31C30H30H30A115.8°120.1°
C30C31C32H320.8°0.0°
C30C31C36H361.0°0.1°
C31C32C33H32180.0°180.0°
C31C32C33C340.2°0.0°
C32C31C36C350.2°0.5°
C32C31C30H307.5°29.9°
C32C31C30H30A132.5°150.0°
C31C32C33H33179.8°179.9°
C32C31C36H36179.8°179.7°
C36C31C32C330.1°0.3°
C31C36C35C340.2°0.5°
C31C36C35H36180.0°179.8°
C36C31C30H30173.2°149.7°
C36C31C30H30A48.2°29.6°
C36C31C32H32179.9°179.7°
C31C36C35H35179.9°179.7°
C32C33C34H33180.0°179.9°
C32C33C34C37179.1°180.0°
C32C33C34C350.3°0.0°
C33C34C37C35178.9°180.0°
C33C34C37N3848.4°136.9°
C33C34C35C360.1°0.2°
C34C33C32H32179.8°180.0°
C33C34C35H35179.9°180.0°
C37C34C35C36178.9°179.8°
C37C34C33H330.9°0.1°
C37C34C35H351.0°0.0°
C35C34C37N38132.8°43.1°
C34C35C36H35180.0°179.8°
C35C34C33H33179.8°179.9°
C34C35C36H36179.8°179.7°
H18C18C17H170.3°0.3°
H12C12N11HN1192.8°120.0°
H12AC12N11HN11147.3°120.0°
H21C21C24H24156.4°146.3°
H24C24O26HO26108.7°57.4°
H24C24C25H2530.6°0.1°
H25C25O27HO273.5°61.2°
H25C25C23H23104.4°146.5°
H23C23C28H2854.2°64.1°
H23C23C28H28A65.5°175.9°
H32C32C33H330.2°0.1°
H35C35C36H360.1°0.1°

227111

PDB entries from 2024-11-06

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