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228

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C28C23doub1.39Å1.40ÅAromatic
C28C27sing1.38Å1.41ÅAromatic
C28H28sing1.08Å1.08Å
C27O31sing1.36Å1.36Å
C27C26doub1.38Å1.40ÅAromatic
O31C30sing1.44Å1.43Å
C30O29sing1.44Å1.43Å
C30H301sing1.10Å1.10Å
C30H302sing1.10Å1.10Å
O29C26sing1.36Å1.36Å
C26C25sing1.38Å1.41ÅAromatic
C25C24doub1.40Å1.40ÅAromatic
C25H25sing1.08Å1.08Å
C24C23sing1.40Å1.40ÅAromatic
C24H24sing1.09Å1.08Å
C23C22sing1.51Å1.53Å
C22C21sing1.53Å1.54Å
C22H221sing1.10Å1.10Å
C22H222sing1.10Å1.10Å
C21N20sing1.45Å1.48Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
N20C18sing1.38Å1.34Å
N20HN20sing1.01Å1.00Å
C18O19doub1.23Å1.23Å
C18C17sing1.50Å1.54Å
C17C16sing1.53Å1.53Å
C17N13sing1.46Å1.49Å
C17H17sing1.09Å1.10Å
C16C15sing1.52Å1.52Å
C16H161sing1.09Å1.10Å
C16H162sing1.10Å1.10Å
C15C14sing1.53Å1.52Å
C15H151sing1.09Å1.10Å
C15H152sing1.10Å1.10Å
C14N13sing1.46Å1.48Å
C14H141sing1.10Å1.10Å
C14H142sing1.10Å1.10Å
N13C1sing1.38Å1.35Å
C1C6sing1.40Å1.41ÅAromatic
C1N1doub1.38Å1.35ÅAromatic
N1C3sing1.35Å1.35ÅAromatic
C6C5doub1.38Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
C5C12sing1.49Å1.53Å
C5N4sing1.35Å1.35ÅAromatic
C12H121sing1.10Å1.10Å
C12H122sing1.10Å1.10Å
C12H123sing1.10Å1.10Å
N4C3doub1.35Å1.35ÅAromatic
C3N7sing1.39Å1.33ÅAromatic
N7C8sing1.37Å1.33ÅAromatic
N7C11sing1.37Å1.33ÅAromatic
C8C9doub1.38Å1.33ÅAromatic
C8H8sing1.08Å1.08Å
C9NFEsing1.37Å1.34ÅAromatic
C9H9sing1.08Å1.08Å
NFEC11doub1.31Å1.32ÅAromatic
C11H11sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C23C28C27120.4°117.0°
C23C28H28119.8°121.9°
C28C23C24119.8°121.8°
C28C23C22120.1°119.1°
C27C28H28119.8°121.1°
C28C27O31131.1°125.9°
C28C27C26119.8°121.8°
O31C27C26109.1°112.3°
C27O31C30106.3°101.0°
C27C26O29109.2°112.3°
C27C26C25119.8°121.7°
O31C30O29106.4°113.3°
O31C30H301110.5°108.7°
O31C30H302111.2°108.7°
O29C30H301110.5°108.6°
O29C30H302111.1°108.6°
C30O29C26106.2°101.0°
H301C30H302107.1°108.8°
O29C26C25131.0°125.9°
C26C25C24120.3°117.6°
C26C25H25119.8°121.5°
C24C25H25119.9°120.8°
C25C24C23120.0°120.0°
C25C24H24120.0°119.3°
C23C24H24120.0°120.7°
C24C23C22120.0°119.1°
C23C22C21112.4°112.9°
C23C22H221108.5°108.6°
C23C22H222107.9°109.8°
C21C22H221108.5°109.3°
C21C22H222107.9°110.1°
C22C21N20110.8°112.6°
C22C21H211109.0°109.9°
C22C21H212108.8°111.6°
H221C22H222111.8°105.9°
N20C21H211109.1°106.8°
N20C21H212108.8°107.6°
C21N20C18122.0°123.1°
C21N20HN20119.0°118.4°
H211C21H212110.5°108.2°
C18N20HN20119.0°118.5°
N20C18O19124.2°126.5°
N20C18C17115.5°114.0°
O19C18C17120.3°119.5°
C18C17C16108.6°110.3°
C18C17N13112.8°109.8°
C18C17H17106.1°108.9°
C16C17N13103.5°104.1°
C16C17H17115.0°111.3°
C17C16C15101.7°103.6°
C17C16H161112.2°113.7°
C17C16H162113.8°109.7°
N13C17H17110.9°112.5°
C17N13C14108.9°111.6°
C17N13C1127.2°124.8°
C15C16H161112.1°112.2°
C15C16H162113.8°109.4°
C16C15C14100.3°103.4°
C16C15H151112.6°112.9°
C16C15H152114.5°110.1°
H161C16H162103.7°108.2°
C14C15H151112.6°112.4°
C14C15H152114.6°110.0°
C15C14N13100.9°104.3°
C15C14H141112.4°110.5°
C15C14H142114.2°111.3°
H151C15H152102.7°108.1°
N13C14H141112.4°109.7°
N13C14H142114.2°112.0°
C14N13C1123.1°123.3°
H141C14H142103.1°109.0°
N13C1C6122.7°119.3°
N13C1N1118.3°120.8°
C6C1N1119.0°119.9°
C1C6C5118.3°117.6°
C1C6H6120.8°120.5°
C1N1C3121.6°116.9°
N1C3N4120.4°126.9°
N1C3N7119.0°116.5°
C5C6H6120.9°122.0°
C6C5C12120.6°119.5°
C6C5N4119.9°123.7°
C12C5N4119.5°116.8°
C5C12H121109.5°110.3°
C5C12H122109.5°111.3°
C5C12H123109.5°111.2°
C5N4C3120.7°115.0°
H121C12H122109.5°108.5°
H121C12H123109.5°108.5°
H122C12H123109.5°106.8°
N4C3N7120.6°116.5°
C3N7C8126.7°126.4°
C3N7C11125.2°126.3°
C8N7C11108.1°107.2°
N7C8C9107.7°105.0°
N7C8H8126.1°122.8°
N7C11NFE108.3°111.9°
N7C11H11125.9°122.6°
C9C8H8126.2°132.2°
C8C9NFE108.1°111.1°
C8C9H9126.0°127.6°
NFEC9H9125.9°121.3°
C9NFEC11107.8°104.8°
NFEC11H11125.8°125.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C23C28C27H28180.0°180.0°
C23C28C27O31178.3°180.0°
C23C28C27C260.1°0.0°
C28C23C24C250.3°0.1°
C28C23C24C22177.5°179.9°
C28C23C24H24179.7°180.0°
C28C23C22C21107.6°90.1°
C28C23C22H221132.4°31.3°
C28C23C22H22211.2°146.7°
C28C27O31C26178.5°180.0°
C28C27O31C30169.7°180.0°
C28C27C26O29179.2°180.0°
C28C27C26C250.3°0.1°
C27C28C23C240.2°0.1°
C27C28C23C22177.3°180.0°
H28C28C27O311.7°0.0°
H28C28C27C26179.9°180.0°
H28C28C23C24179.8°179.9°
H28C28C23C222.7°0.0°
C27O31C30O2916.7°0.0°
C27O31C30H301103.3°120.8°
C27O31C30H302137.8°120.9°
O31C27C26O292.1°0.1°
O31C27C26C25178.4°180.0°
C26C27O31C3011.7°0.0°
C27C26O29C308.4°0.1°
C27C26O29C25179.4°179.9°
C27C26C25C240.3°0.1°
C27C26C25H25179.7°179.9°
O31C30O29H301120.0°120.9°
O31C30O29H302121.2°121.0°
O31C30H301H302121.3°118.2°
O31C30O29C2615.4°0.1°
O29C30H301H302121.2°118.1°
C30O29C26C25170.9°179.9°
H301C30O29C26104.6°120.8°
H302C30O29C26136.6°121.0°
O29C26C25C24179.1°180.0°
O29C26C25H250.9°0.1°
C26C25C24H25180.0°179.9°
C26C25C24C230.0°0.1°
C26C25C24H24179.9°180.0°
C25C24C23H24180.0°179.9°
C25C24C23C22177.2°180.0°
H25C25C24C23180.0°179.9°
H25C25C24H240.1°0.1°
C24C23C22C2174.9°90.0°
C24C23C22H22145.1°148.6°
C24C23C22H222166.3°33.3°
H24C24C23C222.8°0.1°
C23C22C21H221120.0°120.9°
C23C22C21H222118.8°123.1°
C23C22H221H222118.8°117.8°
C23C22C21N2068.4°178.9°
C23C22C21H211171.6°60.0°
C23C22C21H21251.0°60.0°
C21C22H221H222118.8°118.6°
C22C21N20H211120.0°120.6°
C22C21N20H212119.5°123.4°
C22C21H211H212119.5°122.1°
C22C21N20C18102.4°90.0°
C22C21N20HN2077.6°90.0°
H221C22C21N20171.6°57.9°
H221C22C21H21151.6°60.9°
H221C22C21H21269.0°179.1°
H222C22C21N2050.3°58.1°
H222C22C21H21169.7°176.9°
H222C22C21H212169.8°63.1°
N20C21H211H212119.5°115.6°
C21N20C18HN20180.0°180.0°
C21N20C18O190.6°0.1°
C21N20C18C17179.7°179.9°
H211C21N20C1817.6°149.3°
H211C21N20HN20162.4°30.7°
H212C21N20C18138.1°33.4°
H212C21N20HN2041.9°146.6°
N20C18O19C17179.7°179.8°
N20C18C17C1687.0°92.5°
N20C18C17N1327.2°153.4°
N20C18C17H17148.9°29.8°
HN20N20C18O19179.4°179.9°
HN20N20C18C170.3°0.1°
O19C18C17C1693.3°87.6°
O19C18C17N13152.5°26.4°
O19C18C17H1730.8°150.0°
C18C17C16N13120.2°117.7°
C18C17C16H17118.7°120.9°
C18C17N13H17118.9°121.4°
C18C17C16C15149.7°88.4°
C18C17C16H16190.3°33.6°
C18C17C16H16226.9°154.9°
C18C17N13C14117.7°107.1°
C18C17N13C172.2°79.9°
C16C17N13H17123.9°120.6°
C17C16C15H161120.0°123.0°
C17C16C15H162122.8°116.9°
C17C16H161H162123.1°122.1°
C17C16C15C1447.1°36.5°
C17C16C15H15172.9°158.2°
C17C16C15H152170.3°80.9°
C16C17N13C140.4°10.9°
C16C17N13C1170.6°162.1°
N13C17C16C1529.5°29.3°
N13C17C16H161149.5°151.3°
N13C17C16H16293.2°87.4°
C17N13C14C1528.6°11.9°
C17N13C14C1170.7°173.1°
C17N13C14H14191.4°106.5°
C17N13C14H142151.6°132.3°
C17N13C1C60.3°172.2°
C17N13C1N1179.8°7.8°
H17C17C16C1591.7°150.7°
H17C17C16H16128.3°87.3°
H17C17C16H162145.6°34.0°
H17C17N13C14123.5°131.5°
H17C17N13C146.7°41.5°
C15C16H161H162123.1°120.8°
C16C15C14H151120.0°122.0°
C16C15C14H152123.2°117.5°
C16C15H151H152123.7°122.0°
C16C15C14N1346.4°29.8°
C16C15C14H14173.6°88.0°
C16C15C14H142169.4°150.7°
H161C16C15C14167.1°159.5°
H161C16C15H15147.1°78.8°
H161C16C15H15269.7°42.0°
H162C16C15C1475.7°80.4°
H162C16C15H151164.3°41.3°
H162C16C15H15247.5°162.2°
C14C15H151H152123.7°121.6°
C15C14N13H141120.0°118.4°
C15C14N13H142123.0°120.4°
C15C14H141H142123.5°122.6°
C15C14N13C1142.0°175.0°
H151C15C14N1373.6°151.9°
H151C15C14H141166.4°34.0°
H151C15C14H14249.4°87.3°
H152C15C14N13169.6°87.7°
H152C15C14H14149.6°154.5°
H152C15C14H14267.4°33.2°
N13C14H141H142123.5°122.9°
C14N13C1C6168.6°0.0°
C14N13C1N111.0°180.0°
H141C14N13C198.0°66.6°
H142C14N13C119.0°54.6°
N13C1C6N1179.5°180.0°
N13C1N1C3179.4°180.0°
N13C1C6C5179.5°180.0°
N13C1C6H60.5°0.1°
C6C1N1C30.1°0.0°
C1C6C5H6180.0°179.9°
C1C6C5C12178.5°179.9°
C1C6C5N40.2°0.0°
N1C1C6C50.0°0.0°
N1C1C6H6180.0°179.9°
C1N1C3N40.1°0.0°
C1N1C3N7177.4°180.0°
N1C3N4C50.1°0.0°
N1C3N4N7177.2°180.0°
N1C3N7C8178.6°0.0°
N1C3N7C110.8°179.9°
C6C5C12N4178.7°180.0°
C6C5C12H121175.2°146.7°
C6C5C12H12255.2°26.2°
C6C5C12H12364.7°92.8°
C6C5N4C30.3°0.1°
H6C6C5C121.5°0.0°
H6C6C5N4179.8°180.0°
C5C12H121H122120.0°122.1°
C5C12H121H123120.0°122.1°
C5C12H122H123120.0°121.6°
C12C5N4C3178.4°179.9°
N4C5C12H1213.4°33.3°
N4C5C12H122123.4°153.8°
N4C5C12H123116.6°87.2°
C5N4C3N7177.1°179.9°
H121C12H122H123120.0°116.9°
N4C3N7C84.1°180.0°
N4C3N7C11176.5°0.0°
C3N7C8C11179.5°180.0°
C3N7C8C9179.7°180.0°
C3N7C8H80.4°0.1°
C3N7C11NFE179.9°180.0°
C3N7C11H110.2°0.1°
N7C8C9H8180.0°179.9°
N7C8C9NFE0.1°0.0°
N7C8C9H9180.0°180.0°
C8N7C11NFE0.4°0.0°
C8N7C11H11179.7°179.9°
C11N7C8C90.2°0.0°
C11N7C8H8179.8°179.9°
N7C11NFEC90.4°0.0°
N7C11NFEH11180.0°179.9°
C8C9NFEH9180.0°180.0°
C8C9NFEC110.3°0.0°
H8C8C9NFE179.9°179.9°
H8C8C9H90.1°0.1°
C9NFEC11H11179.6°179.9°
H9C9NFEC11179.7°180.0°

222415

PDB entries from 2024-07-10

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