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IV3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C27Csing1.54Å1.54Å
C27C2sing1.54Å1.54Å
F1Csing1.40Å1.38Å
C8C9doub1.38Å1.38ÅAromatic
C8C7sing1.38Å1.37ÅAromatic
FCsing1.40Å1.37Å
CC1sing1.54Å1.53Å
C9C10sing1.38Å1.38ÅAromatic
C7C6doub1.38Å1.39ÅAromatic
C10CLsing1.74Å1.74Å
C10C5doub1.38Å1.40ÅAromatic
C2Nsing1.47Å1.46Å
C2C1sing1.54Å1.54Å
NC3sing1.35Å1.33Å
C6C5sing1.38Å1.39ÅAromatic
C5C4sing1.51Å1.52Å
C4C3sing1.51Å1.54Å
C4N1sing1.47Å1.49Å
C3Odoub1.21Å1.23Å
O1C16doub1.21Å1.22Å
N1C16sing1.35Å1.36Å
N1C11sing1.40Å1.43Å
C16C17sing1.51Å1.53Å
C11C15doub1.39Å1.39ÅAromatic
C11C12sing1.39Å1.39ÅAromatic
C15C14sing1.39Å1.37ÅAromatic
F2C14sing1.35Å1.36Å
C12N2doub1.32Å1.33ÅAromatic
C14C13doub1.38Å1.37ÅAromatic
C23C22doub1.38Å1.38ÅAromatic
C23C24sing1.40Å1.39ÅAromatic
C22N4sing1.32Å1.34ÅAromatic
N5C25trip1.14Å1.14Å
C25C24sing1.43Å1.44Å
N4C21doub1.32Å1.35ÅAromatic
C24C26doub1.40Å1.39ÅAromatic
C17N3sing1.47Å1.49Å
C17C18sing1.55Å1.54Å
C13N2sing1.32Å1.34ÅAromatic
C21C26sing1.39Å1.40ÅAromatic
C21N3sing1.39Å1.42Å
N3C20sing1.34Å1.37Å
C18C19sing1.55Å1.52Å
C20O2doub1.21Å1.22Å
C20C19sing1.51Å1.49Å
C4H1sing1.09Å1.10Å
C6H2sing1.08Å1.08Å
C7H3sing1.08Å1.08Å
C8H4sing1.08Å1.08Å
C13H5sing1.08Å1.08Å
C15H6sing1.08Å1.08Å
C17H7sing1.09Å1.10Å
C22H8sing1.08Å1.08Å
C26H9sing1.08Å1.08Å
C23H10sing1.08Å1.08Å
C19H11sing1.09Å1.10Å
C19H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C12H15sing1.08Å1.08Å
NH16sing0.97Å1.00Å
C2H17sing1.09Å1.10Å
C1H18sing1.09Å1.10Å
C1H19sing1.09Å1.10Å
C27H20sing1.09Å1.10Å
C27H21sing1.09Å1.10Å
C9H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC27C289.5°87.1°
C27CF1115.8°113.6°
C27CF116.0°113.6°
C27CC188.7°87.1°
CC27H20114.2°113.6°
CC27H21114.2°113.7°
C27C2N117.8°113.6°
C27C2C188.5°87.1°
C27C2H17110.1°113.7°
C2C27H20114.2°113.6°
C2C27H21114.2°113.6°
F1CF105.7°112.9°
F1CC1115.6°113.6°
C9C8C7120.0°120.0°
C8C9C10119.3°119.9°
C9C8H4120.0°119.9°
C8C9H22120.4°120.0°
C8C7C6120.3°120.1°
C8C7H3119.9°120.0°
C7C8H4120.0°120.0°
FCC1114.9°113.6°
CC1C289.9°87.1°
CC1H18114.1°113.6°
CC1H19114.1°113.7°
C9C10CL117.5°120.0°
C9C10C5122.2°120.0°
C10C9H22120.3°120.0°
C7C6C5121.4°120.0°
C7C6H2119.3°120.0°
C6C7H3119.9°119.9°
CLC10C5120.4°120.0°
C10C5C6116.9°120.0°
C10C5C4122.9°120.0°
NC2C1117.4°113.6°
C2NC3123.1°120.0°
C2NH16118.4°120.0°
NC2H17111.2°112.8°
C1C2H17110.1°113.7°
C2C1H18114.1°113.6°
C2C1H19114.1°113.6°
NC3C4116.5°120.0°
NC3O122.8°120.0°
C3NH16118.4°120.0°
C6C5C4120.2°120.0°
C5C6H2119.3°120.1°
C5C4C3114.8°109.4°
C5C4N1114.7°109.5°
C5C4H1105.6°109.5°
C3C4N1109.4°109.5°
C4C3O120.7°120.0°
C3C4H1105.4°109.5°
C4N1C16117.9°120.0°
C4N1C11119.7°120.0°
N1C4H1106.0°109.5°
O1C16N1121.6°120.0°
O1C16C17120.6°120.0°
C16N1C11122.2°120.0°
N1C16C17117.8°120.0°
N1C11C15120.2°120.5°
N1C11C12121.1°120.5°
C16C17N3110.7°110.2°
C16C17C18111.2°110.2°
C16C17H7110.3°110.3°
C15C11C12118.7°119.1°
C11C15C14116.8°118.3°
C11C15H6121.6°120.9°
C11C12N2123.4°120.7°
C11C12H15118.3°119.6°
C15C14F2118.8°120.4°
C15C14C13121.6°119.2°
C14C15H6121.6°120.8°
F2C14C13119.5°120.4°
C12N2C13117.4°121.8°
N2C12H15118.3°119.7°
C14C13N2122.0°120.9°
C14C13H5119.0°119.6°
C22C23C24118.3°119.1°
C23C22N4123.9°121.0°
C23C22H8118.0°119.5°
C22C23H10120.8°120.4°
C23C24C25120.4°120.9°
C23C24C26119.6°118.2°
C24C23H10120.9°120.5°
C22N4C21117.4°122.0°
N4C22H8118.0°119.5°
N5C25C24178.5°180.0°
C25C24C26120.0°120.9°
N4C21C26123.2°120.7°
N4C21N3114.4°119.6°
C24C26C21117.6°118.9°
C24C26H9121.2°120.5°
N3C17C18103.3°105.5°
C17N3C21121.9°124.4°
C17N3C20111.9°111.3°
N3C17H7110.9°110.2°
C17C18C19105.0°101.8°
C18C17H7110.2°110.3°
C17C18H13110.6°111.0°
C17C18H14110.5°110.9°
N2C13H5119.0°119.6°
C26C21N3122.3°119.7°
C21C26H9121.2°120.5°
C21N3C20126.2°124.3°
N3C20O2125.5°124.9°
N3C20C19107.1°110.1°
C18C19C20103.7°104.2°
C18C19H11110.9°110.5°
C18C19H12110.9°110.7°
C19C18H13110.5°110.9°
C19C18H14110.6°111.0°
O2C20C19127.3°124.9°
C20C19H11110.9°110.5°
C20C19H12110.9°110.5°
H11C19H12109.5°110.4°
H13C18H14109.5°110.9°
H18C1H19109.4°112.9°
H20C27H21109.5°112.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC27C2H20116.5°114.5°
CC27C2H21116.5°114.6°
C27CF1F130.0°131.2°
C27CF1C1101.8°97.5°
C27CFC1101.5°97.5°
CC27C2N106.5°139.9°
CC27C2C113.8°25.4°
CC27C2H17124.6°89.2°
C27CC1H18130.5°139.9°
C27CC1H19102.7°89.1°
CC27H20H21129.4°131.3°
C2C27CF1104.1°140.0°
C2C27CF131.1°89.1°
C27C2NC1103.8°97.5°
C27C2NH17128.3°131.3°
C27C2C1H17110.8°114.6°
C27C2NC3175.0°107.5°
C27C2NH165.0°72.4°
C27C2C1H18130.5°140.0°
C27C2C1H19102.6°89.2°
C2C27H20H21129.5°131.2°
F1CFC1128.7°131.2°
F1CC1C2104.3°140.0°
F1CC1H1812.3°105.5°
F1CC1H19139.2°25.4°
F1CC27H20139.4°25.5°
F1CC27H2112.4°105.5°
C9C8C7H4180.0°179.8°
C8C9C10H22180.0°179.7°
C9C8C7C60.1°0.1°
C8C9C10CL179.7°179.8°
C8C9C10C50.1°0.5°
C9C8C7H3179.9°180.0°
C7C8C9C100.0°0.2°
C8C7C6H3180.0°179.9°
C8C7C6C50.0°0.1°
C8C7C6H2180.0°180.0°
C7C8C9H22180.0°180.0°
FCC1C2132.2°89.1°
FCC1H18111.3°25.4°
FCC1H1915.6°156.4°
FCC27H2014.7°156.4°
FCC27H21112.4°25.4°
CC1C2N106.8°140.0°
CC1C2H18116.6°114.6°
CC1C2H19116.6°114.6°
CC1C2H17124.7°89.2°
CC1H18H19129.3°131.3°
C1CC27H20102.6°89.1°
C1CC27H21130.4°140.0°
C9C10CLC5179.6°179.7°
C9C10C5C60.3°0.5°
C9C10C5C4179.8°179.7°
C10C9C8H4180.0°179.9°
C7C6C5C100.2°0.2°
C7C6C5H2180.0°179.9°
C7C6C5C4179.8°180.0°
C6C7C8H4179.9°179.8°
CLC10C5C6179.8°179.8°
CLC10C5C40.6°0.0°
CLC10C9H220.3°0.0°
C10C5C6C4179.6°179.8°
C10C5C4C3161.1°87.9°
C10C5C4N170.8°152.1°
C10C5C4H145.5°32.1°
C10C5C6H2179.8°179.7°
C5C10C9H22179.9°179.7°
NC2C1H17128.5°130.8°
C2NC3H16180.0°179.9°
C2NC3C4175.5°180.0°
C2NC3O3.3°0.0°
NC2C1H189.8°105.5°
NC2C1H19136.6°25.3°
NC2C27H20137.0°25.4°
NC2C27H219.9°105.5°
C1C2NC371.2°155.0°
C1C2NH16108.8°25.1°
C2C1H18H19129.3°131.2°
C1C2C27H20102.7°89.1°
C1C2C27H21130.3°140.0°
NC3C4C569.9°53.0°
NC3C4O178.8°180.0°
NC3C4N1159.4°173.0°
NC3C4H145.9°67.0°
C3NC2H1756.8°23.8°
C6C5C4C318.4°91.9°
C6C5C4N1109.7°28.1°
C6C5C4H1134.1°148.1°
C5C6C7H3179.9°180.0°
C5C4C3N1130.7°120.0°
C5C4C3H1115.8°120.0°
C5C4N1H1116.0°120.0°
C5C4C3O111.3°127.0°
C5C4N1C16153.6°67.2°
C5C4N1C1130.6°113.2°
C4C5C6H20.2°0.1°
C3C4N1H1113.2°120.0°
C3C4N1C1675.6°172.9°
C3C4N1C11100.2°6.8°
C4C3NH164.5°0.1°
N1C4C3O19.4°7.0°
C4N1C16O123.2°6.1°
C4N1C16C11175.7°179.7°
C4N1C16C17156.6°173.9°
C4N1C11C1596.6°100.4°
C4N1C11C1283.6°80.3°
OC3C4H1132.9°113.0°
OC3NH16176.7°179.9°
O1C16N1C17179.8°180.0°
O1C16N1C11161.1°174.2°
O1C16C17N334.0°22.3°
O1C16C17C1880.2°93.7°
O1C16C17H7157.2°144.3°
C16N1C11C1587.8°79.3°
C16N1C11C1292.0°100.0°
N1C16C17N3146.2°157.7°
N1C16C17C1899.6°86.3°
C16N1C4H137.6°52.8°
N1C16C17H723.0°35.7°
C11N1C16C1719.1°5.8°
N1C11C15C12179.8°179.3°
N1C11C15C14179.1°180.0°
N1C11C12N2179.5°179.8°
C11N1C4H1146.6°126.8°
N1C11C15H60.9°0.5°
N1C11C12H150.6°0.7°
C16C17N3C18119.1°118.9°
C16C17N3H7122.8°122.0°
C16C17C18H7122.7°122.1°
C16C17N3C2164.0°44.3°
C16C17N3C20114.0°136.0°
C16C17C18C19132.6°144.4°
C16C17C18H1313.4°26.3°
C16C17C18H14108.1°97.5°
C11C15C14H6180.0°179.5°
C11C15C14F2174.6°179.5°
C15C11C12N20.3°0.5°
C11C15C14C131.9°0.5°
C15C11C12H15179.7°180.0°
C12C11C15C141.1°0.7°
C11C12N2H15180.0°179.5°
C11C12N2C131.0°0.0°
C12C11C15H6178.9°179.7°
C15C14F2C13176.6°180.0°
C15C14C13N21.3°0.1°
C15C14C13H5178.7°179.7°
F2C14C13N2175.2°179.9°
F2C14C13H54.8°0.3°
F2C14C15H65.3°0.0°
C12N2C13C140.2°0.2°
C12N2C13H5179.8°180.0°
C14C13N2H5180.0°179.8°
C13C14C15H6178.1°180.0°
C22C23C24H10180.0°179.7°
C23C22N4H8180.0°179.9°
C22C23C24C25177.1°180.0°
C23C22N4C210.4°0.1°
C22C23C24C260.3°0.5°
C24C23C22N40.1°0.2°
C23C24C25N5175.9°2.2°
C23C24C25C26177.3°179.4°
C23C24C26C211.1°0.5°
C24C23C22H8179.9°179.7°
C23C24C26H9179.0°179.5°
C22N4C21C261.3°0.1°
C22N4C21N3174.8°179.7°
N4C22C23H10179.9°180.0°
N5C25C24C261.4°177.2°
C25C24C26C21176.3°180.0°
C25C24C26H93.7°0.0°
C25C24C23H102.9°0.3°
N4C21C26C241.6°0.3°
N4C21N3C1714.9°2.4°
N4C21C26N3175.8°179.8°
N4C21N3C20167.3°177.3°
C21N4C22H8179.6°180.0°
N4C21C26H9178.4°179.8°
C24C26C21H9180.0°180.0°
C24C26C21N3174.2°180.0°
C26C24C23H10179.7°179.7°
N3C17C18H7118.6°119.0°
C17N3C21C26161.3°177.8°
C17N3C21C20177.8°179.7°
N3C17C18C1913.9°25.4°
C17N3C20O2154.8°179.6°
C17N3C20C1922.5°0.4°
N3C17C18H13105.4°92.7°
N3C17C18H14133.2°143.6°
C18C17N3C21176.9°163.2°
C18C17N3C205.1°17.0°
C17C18C19H13119.3°118.2°
C17C18C19H14119.3°118.1°
C17C18C19C2026.5°24.8°
C17C18C19H11145.6°93.8°
C17C18C19H1292.6°143.6°
C17C18H13H14122.0°123.8°
C13N2C12H15179.0°179.6°
C26C21N3C2016.5°2.5°
C21N3C20O223.1°0.1°
C21N3C20C19159.5°179.9°
C21N3C17H758.8°77.8°
N3C21C26H95.8°0.0°
N3C20C19C1830.4°16.3°
N3C20O2C19176.8°180.0°
C20N3C17H7123.2°102.0°
N3C20C19H11149.5°102.4°
N3C20C19H1288.7°135.1°
C18C19C20O2146.9°163.7°
C18C19C20H11119.1°118.6°
C18C19C20H12119.1°118.9°
C19C18C17H7104.7°93.6°
C18C19H11H12122.7°122.7°
C19C18H13H14122.1°123.8°
O2C20C19H1127.8°77.6°
O2C20C19H1294.0°44.8°
C20C19H11H12122.7°122.5°
C20C19C18H1392.8°93.3°
C20C19C18H14145.8°142.9°
H2C6C7H30.1°0.1°
H3C7C8H40.1°0.1°
H4C8C9H220.0°0.2°
H7C17C18H13136.1°148.3°
H7C17C18H1414.6°24.6°
H8C22C23H100.1°0.0°
H11C19C18H1326.3°148.0°
H11C19C18H1495.1°24.3°
H12C19C18H13148.1°25.4°
H12C19C18H1426.7°98.3°
H16NC2H17123.3°156.3°
H17C2C1H18118.7°25.3°
H17C2C1H198.2°156.2°
H17C2C27H208.2°156.3°
H17C2C27H21118.9°25.4°

227111

PDB entries from 2024-11-06

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