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06A

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
FC16sing1.40Å1.41Å
C15C16sing1.54Å1.54Å
C15C13sing1.53Å1.54Å
C16C17sing1.54Å1.54Å
C17C13sing1.53Å1.54Å
C13C12sing1.52Å1.55Å
C13C14sing1.52Å1.54Å
C12N5sing1.47Å1.46Å
C14N5sing1.47Å1.46Å
N5C11sing1.35Å1.34Å
C7C8sing1.55Å1.55Å
C7C6sing1.54Å1.51Å
C8C9sing1.55Å1.49Å
O1C11doub1.21Å1.21Å
C11C10sing1.51Å1.53Å
C6C5sing1.54Å1.52Å
C18C10sing1.53Å1.52Å
C10N4sing1.46Å1.46Å
C9C5sing1.54Å1.52Å
C5N3sing1.47Å1.47Å
N4C1sing1.37Å1.36Å
N1C1doub1.31Å1.32Å
N1C2sing1.34Å1.38Å
N3C2sing1.36Å1.35ÅAromatic
N3N2sing1.40Å1.37ÅAromatic
C1Nsing1.36Å1.37Å
C2C3doub1.40Å1.39ÅAromatic
N2C4doub1.30Å1.32ÅAromatic
NCsing1.35Å1.38Å
C3C4sing1.41Å1.41ÅAromatic
C3Csing1.42Å1.42Å
COdoub1.22Å1.23Å
C4H1sing1.08Å1.08Å
C5H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
C17H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
N4H24sing0.97Å1.00Å
NH25sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
FC16C15111.6°113.6°
FC16C17109.0°113.6°
FC16H18116.3°112.8°
C16C15C1391.1°86.6°
C15C16C1788.5°87.4°
C16C15H16113.8°113.7°
C16C15H17113.9°113.7°
C15C16H18114.0°113.5°
C15C13C1788.4°88.4°
C15C13C12122.0°122.0°
C15C13C14121.0°122.0°
C13C15H16113.9°113.7°
C13C15H17113.9°113.7°
C16C17C1391.4°86.7°
C17C16H18114.1°113.6°
C16C17H19113.8°113.7°
C16C17H20113.8°113.6°
C17C13C12121.7°122.1°
C17C13C14119.7°122.0°
C13C17H19113.8°113.7°
C13C17H20113.8°113.7°
C12C13C1487.8°84.6°
C13C12N588.5°87.6°
C13C12H12114.4°113.5°
C13C12H13114.4°113.5°
C13C14N588.6°87.7°
C13C14H14114.4°113.5°
C13C14H15114.4°113.5°
C12N5C1494.1°88.2°
C12N5C11134.2°135.8°
N5C12H12114.4°113.5°
N5C12H13114.5°113.5°
C14N5C11117.1°136.0°
N5C14H14114.4°113.5°
N5C14H15114.4°113.5°
N5C11O1122.0°120.1°
N5C11C10118.3°120.0°
C8C7C6107.3°104.2°
C7C8C9105.9°102.8°
C8C7H5110.0°110.5°
C8C7H6110.0°110.5°
C7C8H7110.4°110.8°
C7C8H8110.3°110.8°
C7C6C5103.3°106.6°
C7C6H3111.0°110.0°
C7C6H4111.0°110.1°
C6C7H5110.0°110.5°
C6C7H6110.0°110.5°
C8C9C5102.9°104.2°
C9C8H7110.3°110.7°
C9C8H8110.4°110.7°
C8C9H9111.1°110.5°
C8C9H10111.1°110.5°
O1C11C10119.6°120.0°
C11C10C18107.0°109.5°
C11C10N4114.7°109.5°
C11C10H11107.9°109.4°
C6C5C9105.4°106.7°
C6C5N3114.9°110.0°
C6C5H2107.0°110.0°
C5C6H3111.0°110.0°
C5C6H4111.0°110.0°
C18C10N4110.3°109.5°
C18C10H11108.0°109.5°
C10C18H21109.5°109.5°
C10C18H22109.5°109.5°
C10C18H23109.5°109.5°
C10N4C1130.6°120.0°
N4C10H11108.8°109.5°
C10N4H24114.7°120.0°
C9C5N3114.6°110.0°
C9C5H2106.9°110.0°
C5C9H9111.1°110.4°
C5C9H10111.1°110.6°
C5N3C2133.3°125.8°
C5N3N2115.3°125.8°
N3C5H2107.5°110.0°
N4C1N1120.4°119.0°
N4C1N115.3°118.9°
C1N4H24114.7°120.0°
C1N1C2112.7°121.2°
N1C1N124.2°122.1°
N1C2N3125.9°133.9°
N1C2C3126.7°119.4°
C2N3N2111.2°108.4°
N3C2C3107.3°106.6°
N3N2C4105.2°109.5°
C1NC124.8°120.3°
C1NH25117.6°119.9°
C2C3C4103.8°107.1°
C2C3C118.6°118.7°
N2C4C3112.4°108.4°
N2C4H1123.8°125.8°
NCC3112.9°118.3°
NCO121.5°120.9°
CNH25117.6°119.8°
C4C3C137.4°134.2°
C3C4H1123.8°125.8°
C3CO125.6°120.8°
H3C6H4109.4°110.0°
H5C7H6109.5°110.6°
H7C8H8109.5°110.8°
H9C9H10109.5°110.5°
H12C12H13109.5°112.8°
H14C14H15109.4°112.8°
H16C15H17109.5°113.0°
H19C17H20109.5°113.0°
H21C18H22109.4°109.5°
H21C18H23109.4°109.5°
H22C18H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
FC16C15C17109.9°114.7°
FC16C15H18134.3°130.7°
FC16C15C13115.7°90.1°
FC16C17H18131.9°130.7°
FC16C17C13118.2°90.1°
FC16C15H16127.5°24.3°
FC16C15H171.1°155.4°
FC16C17H191.4°155.4°
FC16C17H20124.9°24.3°
C16C15C13H16116.8°114.4°
C16C15C13H17116.8°114.5°
C15C16C17H18115.7°114.6°
C16C15C13C175.8°24.7°
C16C15C13C12132.8°102.7°
C16C15C13C14118.3°152.2°
C16C15H16H17128.7°131.5°
C15C16C17H19111.1°89.9°
C15C16C17H20122.6°138.9°
C15C13C17C12127.3°127.5°
C15C13C17C14125.2°127.5°
C15C13C12C14125.7°124.7°
C15C13C12N5133.4°150.0°
C15C13C14N5134.3°150.0°
C15C13C12H1217.2°35.3°
C15C13C12H13110.3°95.4°
C15C13C14H14109.4°95.3°
C15C13C14H1518.0°35.2°
C13C15H16H17128.7°131.4°
C13C15C16H18110.0°139.1°
C15C13C17H19111.0°89.7°
C15C13C17H20122.6°139.1°
C16C17C13H19116.8°114.5°
C16C17C13H20116.8°114.4°
C16C17C13C12133.1°102.7°
C16C17C13C14119.4°152.2°
C17C16C15H16122.6°138.9°
C17C16C15H17111.0°89.9°
C16C17H19H20128.5°131.5°
C17C13C12C14123.9°124.7°
C17C13C12N5116.3°99.4°
C17C13C14N5118.0°99.4°
C17C13C12H12127.5°145.9°
C17C13C12H130.0°15.2°
C17C13C14H141.7°15.3°
C17C13C14H15125.7°145.9°
C17C13C15H16122.5°139.2°
C17C13C15H17111.0°89.7°
C13C17C16H18109.9°139.1°
C13C17H19H20128.6°131.5°
C13C12N5H12116.3°114.7°
C13C12N5H13116.2°114.7°
C12C13C14N57.7°25.3°
C13C12N5C11143.0°154.0°
C13C12H12H13130.0°131.0°
C12C13C14H14124.0°140.0°
C12C13C14H15108.6°89.4°
C12C13C15H16110.4°11.7°
C12C13C15H1716.0°142.8°
C12C13C17H1916.3°142.8°
C12C13C17H20110.1°11.7°
C13C14N5H14116.3°114.7°
C13C14N5H15116.3°114.7°
C13C14N5C11153.4°154.0°
C14C13C12H12108.5°89.4°
C14C13C12H13124.0°139.9°
C13C14H14H15129.9°131.0°
C14C13C15H161.6°93.4°
C14C13C15H17124.9°37.7°
C14C13C17H19123.7°37.8°
C14C13C17H202.6°93.4°
C12N5C14C11145.2°179.9°
C12N5C11O110.7°0.1°
C12N5C11C10164.7°180.0°
N5C12H12H13130.0°130.9°
C12N5C14H14124.4°140.8°
C12N5C14H15108.1°88.6°
C14N5C11O1138.2°180.0°
C14N5C11C1037.2°0.0°
C14N5C12H12108.1°88.6°
C14N5C12H13124.4°140.8°
N5C14H14H15129.9°130.9°
N5C11O1C10175.4°180.0°
N5C11C10C18144.9°60.0°
N5C11C10N492.4°180.0°
N5C11C10H1129.0°60.0°
C11N5C12H1226.7°91.3°
C11N5C12H13100.7°39.3°
C11N5C14H1490.4°39.2°
C11N5C14H1537.1°91.3°
C8C7C6H5119.6°118.7°
C8C7C6H6119.6°118.6°
C7C8C9H7119.4°118.3°
C7C8C9H8119.4°118.3°
C8C7C6C516.4°23.6°
C7C8C9C528.6°37.9°
C8C7C6H3102.6°95.6°
C8C7C6H4135.4°142.9°
C8C7H5H6121.0°122.6°
C7C8H7H8121.6°123.4°
C7C8C9H9147.5°80.7°
C7C8C9H1090.4°156.7°
C6C7C8C97.7°37.9°
C7C6C5H3119.0°119.2°
C7C6C5H4119.0°119.4°
C7C6C5C934.7°0.0°
C7C6C5N3161.9°119.3°
C7C6C5H278.9°119.3°
C7C6H3H4122.9°121.5°
C6C7H5H6121.0°122.6°
C6C7C8H7111.7°80.4°
C6C7C8H8127.1°156.2°
C8C9C5C639.8°23.6°
C8C9C5H9119.0°118.7°
C8C9C5H10118.9°118.7°
C8C9C5N3167.1°142.9°
C8C9C5H273.8°95.8°
C9C8C7H5111.9°156.6°
C9C8C7H6127.3°80.7°
C9C8H7H8121.7°123.3°
C8C9H9H10123.0°122.6°
O1C11C10C1830.6°120.0°
O1C11C10N492.1°0.0°
O1C11C10H11146.5°120.0°
C11C10C18N4125.4°120.0°
C11C10C18H11115.9°120.0°
C11C10N4H11120.9°120.0°
C11C10N4C1100.8°155.0°
C11C10C18H21180.0°60.0°
C11C10C18H2260.0°180.0°
C11C10C18H2360.0°60.0°
C11C10N4H2479.2°25.0°
C6C5C9N3127.3°119.3°
C6C5C9H2113.6°119.3°
C6C5N3H2118.9°121.4°
C6C5N3C236.8°120.6°
C6C5N3N2137.8°59.3°
C5C6H3H4122.9°121.4°
C5C6C7H5136.1°142.3°
C5C6C7H6103.2°95.0°
C6C5C9H9158.8°95.1°
C6C5C9H1079.1°142.3°
C18C10N4H11118.2°120.0°
C18C10N4C1138.3°85.0°
C10C18H21H22120.0°120.0°
C10C18H21H23120.0°120.0°
C10C18H22H23120.0°120.0°
C18C10N4H2441.7°95.0°
C10N4C1H24180.0°180.0°
C10N4C1N11.1°0.3°
C10N4C1N177.2°180.0°
N4C10C18H2154.6°60.0°
N4C10C18H22174.6°60.0°
N4C10C18H2365.4°180.0°
C9C5N3H2118.8°121.4°
C9C5N3C285.5°122.1°
C9C5N3N299.9°58.0°
C9C5C6H384.3°119.2°
C9C5C6H4153.7°119.4°
C5C9C8H790.8°80.5°
C5C9C8H8148.0°156.2°
C5C9H9H10123.1°122.7°
C5N3C2N110.9°0.1°
C5N3C2N2174.8°179.9°
C5N3C2C3172.6°180.0°
C5N3N2C4174.2°180.0°
N3C5C6H342.9°121.5°
N3C5C6H479.1°0.1°
N3C5C9H973.9°24.2°
N3C5C9H1048.2°98.4°
N4C1N1N175.7°179.7°
N4C1N1C2172.1°179.8°
N4C1NC172.6°179.7°
C1N4C10H1120.1°35.0°
N4C1NH257.4°0.2°
C1N1C2N3174.6°179.9°
C1N1C2C31.2°0.0°
N1C1NC3.3°0.0°
N1C1N4H24178.9°179.7°
N1C1NH25176.7°180.0°
N1C2N3C3176.5°179.9°
N1C2N3N2174.3°180.0°
C2N1C1N3.6°0.0°
N1C2C3C4174.6°180.0°
N1C2C3C1.6°0.0°
C2N3N2C41.5°0.1°
N3C2C3C41.8°0.0°
N3C2C3C178.0°179.9°
C2N3C5H2155.7°0.7°
N2N3C2C32.2°0.1°
N3N2C4C30.3°0.1°
N3N2C4H1179.7°179.9°
N2N3C5H218.9°179.4°
C1NCH25180.0°180.0°
C1NCC30.2°0.0°
C1NCO178.8°180.0°
NC1N4H242.8°0.0°
C2C3C4N20.9°0.0°
C2C3CN2.0°0.1°
C2C3C4C175.1°179.9°
C2C3CO176.5°180.0°
C2C3C4H1179.0°180.0°
N2C4C3H1180.0°180.0°
N2C4C3C176.0°180.0°
NCC3C4172.6°180.0°
NCC3O178.5°180.0°
C4C3CO8.9°0.1°
CC3C4H14.0°0.0°
C3CNH25179.8°180.0°
OCNH251.2°0.0°
H2C5C6H3162.1°0.1°
H2C5C6H440.1°121.3°
H2C5C9H945.2°145.6°
H2C5C9H10167.3°23.0°
H3C6C7H517.0°23.0°
H3C6C7H6137.7°145.7°
H4C6C7H5104.9°98.4°
H4C6C7H615.8°24.3°
H5C7C8H7128.6°38.3°
H5C7C8H87.5°85.1°
H6C7C8H77.9°161.0°
H6C7C8H8113.2°37.6°
H7C8C9H928.1°161.0°
H7C8C9H10150.2°38.3°
H8C8C9H993.0°37.6°
H8C8C9H1029.1°85.0°
H11C10C18H2164.1°180.0°
H11C10C18H2255.9°60.0°
H11C10C18H23175.9°60.0°
H11C10N4H24159.9°145.0°
H16C15C16H186.8°106.5°
H17C15C16H18133.2°24.7°
H18C16C17H19133.3°24.7°
H18C16C17H207.0°106.5°
H21C18H22H23119.9°120.0°

224931

PDB entries from 2024-09-11

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