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PJF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C22C23sing1.54Å1.53Å
C22N4sing1.47Å1.48Å
CL1C18sing1.74Å1.74Å
C23N5sing1.47Å1.47Å
N4C21doub1.30Å1.30Å
C18C19doub1.38Å1.37ÅAromatic
C18C17sing1.38Å1.38ÅAromatic
C19C20sing1.38Å1.38ÅAromatic
C17C16doub1.38Å1.38ÅAromatic
C20C15doub1.38Å1.38ÅAromatic
C21N5sing1.37Å1.35Å
C21N3sing1.39Å1.39Å
N5C10sing1.37Å1.36Å
C16C15sing1.38Å1.38ÅAromatic
C15C14sing1.51Å1.51Å
C14N3sing1.46Å1.49Å
N3C13sing1.34Å1.36Å
C9C10sing1.51Å1.50Å
C9C8sing1.53Å1.51Å
C10C11doub1.34Å1.36Å
C13C11sing1.42Å1.39Å
C13O1doub1.22Å1.24Å
C11C12sing1.51Å1.51Å
N1C1trip1.14Å1.14Å
C8N2sing1.47Å1.47Å
C1C2sing1.43Å1.43Å
N2C12sing1.47Å1.47Å
N2C7sing1.47Å1.47Å
C24C2doub1.40Å1.40ÅAromatic
C24C6sing1.38Å1.39ÅAromatic
C2C3sing1.40Å1.38ÅAromatic
C7C6sing1.51Å1.51Å
C6C5doub1.38Å1.38ÅAromatic
C3C4doub1.38Å1.38ÅAromatic
C5C4sing1.38Å1.38ÅAromatic
C12H1sing1.09Å1.10Å
C12H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C14H4sing1.09Å1.10Å
C16H5sing1.08Å1.08Å
C17H6sing1.08Å1.08Å
C19H7sing1.08Å1.08Å
C20H8sing1.08Å1.08Å
C22H9sing1.09Å1.10Å
C23H10sing1.09Å1.10Å
C24H11sing1.08Å1.08Å
C3H12sing1.08Å1.08Å
C4H13sing1.08Å1.08Å
C5H14sing1.08Å1.08Å
C7H15sing1.09Å1.10Å
C7H16sing1.09Å1.10Å
C8H17sing1.09Å1.10Å
C8H18sing1.09Å1.10Å
C9H19sing1.09Å1.10Å
C9H20sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C23C22N4107.0°104.1°
C22C23N5100.4°103.3°
C23C22H9110.1°110.5°
C22C23H10111.7°110.7°
C23C22H22110.1°110.5°
C22C23H23111.7°110.7°
C22N4C21106.3°110.5°
N4C22H9110.1°110.6°
N4C22H22110.1°110.5°
CL1C18C19119.4°120.0°
CL1C18C17119.4°120.0°
C23N5C21110.0°108.8°
C23N5C10129.4°129.8°
N5C23H10111.7°110.6°
N5C23H23111.7°110.6°
N4C21N5115.7°113.3°
N4C21N3124.1°127.9°
C19C18C17121.2°120.0°
C18C19C20118.9°120.0°
C18C19H7120.6°120.0°
C18C17C16119.1°120.0°
C18C17H6120.4°120.1°
C19C20C15121.3°120.0°
C20C19H7120.6°120.0°
C19C20H8119.4°120.0°
C17C16C15120.8°120.0°
C17C16H5119.6°120.1°
C16C17H6120.4°119.9°
C20C15C16118.7°120.0°
C20C15C14120.5°120.0°
C15C20H8119.3°120.0°
N5C21N3120.2°118.8°
C21N5C10120.5°121.4°
C21N3C14120.1°119.9°
C21N3C13119.3°120.2°
N5C10C9116.9°118.1°
N5C10C11120.7°120.0°
C16C15C14120.8°120.0°
C15C16H5119.6°120.0°
C15C14N3112.4°109.5°
C15C14H3108.7°109.5°
C15C14H4108.7°109.5°
C14N3C13120.6°119.9°
N3C14H3108.8°109.5°
N3C14H4108.7°109.5°
N3C13C11119.6°120.4°
N3C13O1120.1°119.8°
C10C9C8110.7°110.1°
C9C10C11122.4°121.9°
C10C9H19109.2°109.4°
C10C9H20109.1°109.4°
C9C8N2111.0°108.4°
C9C8H17109.1°109.7°
C9C8H18109.1°109.7°
C8C9H19109.2°109.4°
C8C9H20109.1°109.4°
C10C11C13119.5°119.2°
C10C11C12122.2°122.4°
C11C13O1120.4°119.8°
C13C11C12118.2°118.4°
C11C12N2110.3°110.6°
C11C12H1109.3°109.3°
C11C12H2109.3°109.2°
N1C1C2176.4°180.0°
C8N2C12111.7°110.0°
C8N2C7110.3°111.0°
N2C8H17109.1°109.7°
N2C8H18109.1°109.7°
C1C2C24119.9°120.1°
C1C2C3119.8°120.2°
C12N2C7112.6°111.0°
N2C12H1109.3°109.3°
N2C12H2109.3°109.2°
N2C7C6112.8°109.4°
N2C7H15108.6°109.4°
N2C7H16108.7°109.4°
C2C24C6120.0°119.8°
C24C2C3120.3°119.7°
C2C24H11120.0°120.1°
C24C6C7120.8°119.9°
C24C6C5119.0°120.1°
C6C24H11120.0°120.1°
C2C3C4119.6°119.9°
C2C3H12120.2°120.0°
C7C6C5120.2°119.9°
C6C7H15108.6°109.5°
C6C7H16108.7°109.5°
C6C5C4120.8°120.3°
C6C5H14119.6°119.9°
C3C4C5120.3°120.1°
C4C3H12120.2°120.1°
C3C4H13119.9°119.9°
C5C4H13119.8°119.9°
C4C5H14119.6°119.8°
H1C12H2109.4°109.3°
H3C14H4109.5°109.4°
H9C22H22109.5°110.5°
H10C23H23109.5°110.7°
H15C7H16109.5°109.5°
H17C8H18109.5°109.7°
H19C9H20109.5°109.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C23C22N4H9119.6°118.7°
C23C22N4H22119.6°118.6°
C22C23N5H10118.5°118.5°
C22C23N5H23118.5°118.4°
C23C22N4C216.9°0.0°
C22C23N5C214.2°0.0°
C22C23N5C10174.5°179.6°
C23C22H9H22121.1°122.7°
C22C23H10H23124.2°123.1°
N4C22C23N56.5°0.0°
C22N4C21N54.5°0.0°
C22N4C21N3174.6°180.0°
N4C22H9H22121.2°122.6°
N4C22C23H10125.0°118.4°
N4C22C23H23112.0°118.4°
CL1C18C19C17179.9°179.6°
CL1C18C19C20179.8°179.9°
CL1C18C17C16179.9°179.7°
CL1C18C17H60.1°0.3°
CL1C18C19H70.2°0.3°
C23N5C21N40.1°0.0°
C23N5C21C10178.8°179.6°
C23N5C21N3179.1°179.9°
C23N5C10C90.1°0.6°
C23N5C10C11179.6°179.6°
N5C23C22H9126.1°118.7°
N5C23H10H23124.2°123.0°
N5C23C22H22113.1°118.6°
N4C21N5N3179.1°180.0°
N4C21N5C10178.8°179.7°
N4C21N3C142.2°0.3°
N4C21N3C13177.0°179.7°
C21N4C22H9126.5°118.7°
C21N4C22H22112.7°118.6°
C18C19C20H7180.0°179.8°
C19C18C17C160.2°0.0°
C18C19C20C150.3°0.5°
C19C18C17H6179.8°180.0°
C18C19C20H8179.7°180.0°
C17C18C19C200.3°0.2°
C18C17C16H6180.0°180.0°
C18C17C16C150.0°0.1°
C18C17C16H5179.9°180.0°
C17C18C19H7179.7°179.9°
C19C20C15H8180.0°179.5°
C19C20C15C160.1°0.5°
C19C20C15C14179.0°179.8°
C17C16C15C200.0°0.3°
C17C16C15H5180.0°179.9°
C17C16C15C14179.1°180.0°
C20C15C16C14179.1°179.7°
C20C15C14N3154.0°90.3°
C20C15C14H333.5°29.7°
C20C15C14H485.6°149.7°
C20C15C16H5180.0°179.8°
C15C20C19H7179.7°179.7°
N5C21N3C14178.8°179.7°
N5C21N3C132.0°0.3°
C21N5C10C9178.7°179.9°
C21N5C10C111.1°0.1°
C21N5C23H10122.7°118.5°
C21N5C23H23114.4°118.4°
N3C21N5C100.3°0.3°
C21N3C14C1587.4°90.0°
C21N3C14C13179.2°180.0°
C21N3C13C114.5°0.0°
C21N3C13O1174.2°180.0°
C21N3C14H333.0°30.1°
C21N3C14H4152.1°150.0°
N5C10C9C11179.7°179.8°
N5C10C9C8165.6°163.4°
N5C10C11C133.5°0.2°
N5C10C11C12179.0°179.7°
C10N5C23H1056.0°61.9°
N5C10C9H1974.1°76.4°
N5C10C9H2045.5°43.2°
C10N5C23H2367.0°61.2°
C16C15C14N326.9°90.0°
C16C15C14H3147.4°150.0°
C16C15C14H493.6°30.0°
C15C16C17H6180.0°179.9°
C16C15C20H8179.9°179.9°
C15C14N3H3120.5°120.0°
C15C14N3H4120.4°120.0°
C15C14N3C1391.8°90.0°
C15C14H3H4118.6°120.0°
C14C15C16H50.9°0.1°
C14C15C20H81.0°0.2°
C14N3C13C11176.3°180.0°
C14N3C13O15.0°0.0°
N3C14H3H4118.7°120.0°
N3C13C11C105.2°0.3°
N3C13C11O1178.7°180.0°
N3C13C11C12177.2°179.7°
C13N3C14H3147.8°150.0°
C13N3C14H428.6°30.0°
C10C9C8H19120.2°120.2°
C10C9C8H20120.2°120.2°
C9C10C11C13176.2°179.6°
C9C10C11C121.3°0.5°
C10C9C8N245.6°50.0°
C10C9C8H17165.8°169.7°
C10C9C8H1874.7°69.8°
C10C9H19H20119.4°119.7°
C8C9C10C1114.6°16.8°
C9C8N2H17120.2°119.7°
C9C8N2H18120.2°119.8°
C9C8N2C1266.4°70.3°
C9C8N2C7167.6°166.5°
C9C8H17H18119.3°120.5°
C8C9H19H20119.4°119.7°
C10C11C13C12177.6°180.0°
C10C11C13O1173.4°179.8°
C10C11C12N218.4°17.5°
C10C11C12H1101.7°102.8°
C10C11C12H2138.6°137.7°
C11C10C9H19105.6°103.4°
C11C10C9H20134.8°137.1°
C13C11C12N2159.1°162.5°
C13C11C12H180.8°77.1°
C13C11C12H238.9°42.3°
O1C13C11C124.2°0.3°
C11C12N2C850.1°52.0°
C11C12N2H1120.1°120.4°
C11C12N2H2120.1°120.2°
C11C12N2C7174.9°175.3°
C11C12H1H2119.6°119.4°
N1C1C2C2493.5°2.9°
N1C1C2C387.4°176.8°
C8N2C12C7124.7°123.3°
C8N2C7C6150.6°170.0°
C8N2C12H170.0°68.3°
C8N2C12H2170.2°172.2°
C8N2C7H1530.1°70.0°
C8N2C7H1688.9°50.0°
N2C8H17H18119.3°120.6°
N2C8C9H1974.6°70.2°
N2C8C9H20165.7°170.2°
C1C2C24C3179.1°179.7°
C1C2C24C6179.1°180.0°
C1C2C3C4179.0°180.0°
C1C2C24H111.0°0.1°
C1C2C3H121.0°0.0°
C12N2C7C683.9°67.3°
N2C12H1H2119.6°119.4°
C12N2C7H15155.7°52.7°
C12N2C7H1636.6°172.7°
C12N2C8H17173.4°170.0°
C12N2C8H1853.8°49.5°
N2C7C6C2462.1°90.0°
N2C7C6H15120.5°120.0°
N2C7C6H16120.5°120.0°
N2C7C6C5117.5°90.0°
C7N2C12H154.7°55.0°
C7N2C12H265.0°64.5°
N2C7H15H16118.5°120.0°
C7N2C8H1747.4°46.8°
C7N2C8H1872.2°73.8°
C2C24C6H11180.0°180.0°
C2C24C6C7179.6°180.0°
C2C24C6C50.0°0.0°
C24C2C3C40.1°0.3°
C24C2C3H12179.9°179.7°
C6C24C2C30.0°0.3°
C24C6C7C5179.6°180.0°
C24C6C5C40.1°0.3°
C24C6C5H14179.9°180.0°
C24C6C7H1558.4°150.0°
C24C6C7H16177.4°29.9°
C2C3C4H12180.0°179.9°
C2C3C4C50.2°0.0°
C3C2C24H11179.9°179.7°
C2C3C4H13179.8°180.0°
C7C6C5C4179.7°179.7°
C7C6C24H110.3°0.0°
C7C6C5H140.3°0.0°
C6C7H15H16118.5°120.1°
C6C5C4C30.2°0.3°
C6C5C4H14180.0°179.7°
C5C6C24H11179.9°180.0°
C6C5C4H13179.8°179.7°
C5C6C7H15122.0°29.9°
C5C6C7H163.0°150.0°
C3C4C5H13180.0°179.9°
C3C4C5H14179.8°180.0°
C5C4C3H12179.8°180.0°
H5C16C17H60.1°0.0°
H7C19C20H80.3°0.2°
H9C22C23H10115.4°122.9°
H9C22C23H237.6°0.3°
H10C23C22H225.4°0.2°
H12C3C4H130.2°0.1°
H13C4C5H140.2°0.0°
H17C8C9H1945.6°49.5°
H17C8C9H2074.0°70.1°
H18C8C9H19165.1°170.0°
H18C8C9H2045.5°50.4°
H22C22C23H23128.4°123.0°

223790

PDB entries from 2024-08-14

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