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0CE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.42Å1.43ÅAromatic
C1C12sing1.40Å1.43ÅAromatic
C1C19sing1.46Å1.40ÅAromatic
N1N2sing1.40Å1.34ÅAromatic
N1C6doub1.29Å1.26ÅAromatic
O1C14doub1.22Å1.22Å
C2C3sing1.38Å1.46ÅAromatic
C2N4sing1.39Å1.42ÅAromatic
N2C7sing1.35Å1.31ÅAromatic
N2C8sing1.46Å1.45Å
O2C22sing1.43Å1.46Å
O2C26sing1.43Å1.45Å
C3C4doub1.41Å1.47ÅAromatic
C3C10sing1.50Å1.57Å
N3C13doub1.31Å1.45Å
N3C14sing1.35Å1.33Å
C4C5sing1.48Å1.55ÅAromatic
C4C11sing1.39Å1.43ÅAromatic
N4C15sing1.46Å1.51Å
N4C18sing1.37Å1.38ÅAromatic
C5C6sing1.42Å1.46ÅAromatic
C5C7doub1.36Å1.34ÅAromatic
C6C9sing1.51Å1.50Å
C7H7sing1.08Å1.08Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C8H8Bsing1.09Å1.10Å
C9C10sing1.53Å1.56Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C11C12doub1.41Å1.42ÅAromatic
C11C14sing1.48Å1.52Å
C12C13sing1.47Å1.53Å
C13H13sing1.08Å1.08Å
C15C16sing1.53Å1.55Å
C15C17sing1.53Å1.56Å
C15H15sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C16H16Bsing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C17H17Bsing1.09Å1.10Å
C18C19doub1.42Å1.41ÅAromatic
C18C28sing1.39Å1.44ÅAromatic
C19C20sing1.40Å1.43ÅAromatic
C20C21doub1.38Å1.44ÅAromatic
C20H20sing1.08Å1.08Å
C21C22sing1.51Å1.53Å
C21C27sing1.38Å1.42ÅAromatic
C22C23sing1.53Å1.56Å
C22H22sing1.09Å1.10Å
C23C24sing1.53Å1.55Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C24C25sing1.53Å1.56Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C25C26sing1.53Å1.56Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C27C28doub1.39Å1.41ÅAromatic
C27H27sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C12121.8°119.9°
C2C1C19107.2°106.2°
C1C2C3118.6°120.2°
C1C2N4109.9°108.3°
C12C1C19131.0°133.9°
C1C12C11119.3°119.6°
C1C12C13128.9°134.6°
C1C19C18105.6°106.7°
C1C19C20133.2°131.7°
N2N1C6109.7°108.7°
N1N2C7110.4°108.5°
N1N2C8124.2°125.8°
N1C6C5107.0°107.9°
N1C6C9129.8°130.8°
O1C14N3124.0°126.0°
O1C14C11126.0°125.9°
C3C2N4131.5°131.4°
C2C3C4119.7°119.5°
C2C3C10122.4°119.4°
C2N4C15129.9°124.9°
C2N4C18104.0°110.2°
C7N2C8125.4°125.8°
N2C7C5108.2°107.2°
N2C7H7125.9°126.4°
N2C8H8109.5°109.5°
N2C8H8A109.5°109.5°
N2C8H8B109.5°109.5°
C22O2C26115.0°114.1°
O2C22C21108.4°109.5°
O2C22C23108.2°109.4°
O2C22H22114.3°109.5°
O2C26C25110.8°109.4°
O2C26H26109.0°109.5°
O2C26H26A109.0°109.5°
C4C3C10117.9°121.1°
C3C4C5116.7°117.2°
C3C4C11118.7°120.9°
C3C10C9117.8°113.1°
C3C10H10106.8°108.7°
C3C10H10A106.8°108.8°
C13N3C14114.0°111.8°
N3C13C12101.1°109.3°
N3C13H13129.4°125.4°
N3C14C11109.9°108.1°
C5C4C11124.5°121.9°
C4C5C6120.6°120.3°
C4C5C7134.7°132.0°
C4C11C12121.8°119.9°
C4C11C14135.0°135.1°
C15N4C18111.5°124.9°
N4C15C16115.1°109.5°
N4C15C17114.2°109.5°
N4C15H15101.9°109.5°
N4C18C19113.3°108.6°
N4C18C28127.0°131.0°
C6C5C7104.7°107.7°
C5C6C9123.2°121.2°
C5C7H7125.9°126.4°
C6C9C10108.9°109.6°
C6C9H9109.6°109.4°
C6C9H9A109.7°109.4°
H8C8H8A109.4°109.4°
H8C8H8B109.5°109.5°
H8AC8H8B109.5°109.4°
C10C9H9109.6°109.4°
C10C9H9A109.6°109.5°
C9C10H10106.8°108.7°
C9C10H10A106.8°108.8°
H9C9H9A109.3°109.5°
H10C10H10A112.0°108.6°
C12C11C14103.2°105.1°
C11C12C13111.8°105.8°
C12C13H13129.4°125.3°
C16C15C17110.0°109.5°
C16C15H15106.9°109.4°
C15C16H16109.5°109.4°
C15C16H16A109.4°109.5°
C15C16H16B109.4°109.5°
C17C15H15107.9°109.4°
C15C17H17109.5°109.5°
C15C17H17A109.5°109.5°
C15C17H17B109.4°109.4°
H16C16H16A109.5°109.5°
H16C16H16B109.5°109.5°
H16AC16H16B109.5°109.5°
H17C17H17A109.5°109.5°
H17C17H17B109.5°109.4°
H17AC17H17B109.5°109.5°
C19C18C28119.7°120.5°
C18C19C20121.2°121.5°
C18C28C27119.1°117.2°
C18C28H28120.4°121.4°
C19C20C21118.9°116.8°
C19C20H20120.5°121.6°
C21C20H20120.5°121.6°
C20C21C22123.9°119.2°
C20C21C27119.5°121.7°
C22C21C27116.6°119.1°
C21C22C23117.6°109.5°
C21C22H22104.1°109.5°
C21C27C28121.6°122.2°
C21C27H27119.2°118.9°
C23C22H22104.3°109.4°
C22C23C24109.5°109.2°
C22C23H23109.4°109.5°
C22C23H23A109.4°109.5°
C24C23H23109.5°109.5°
C24C23H23A109.5°109.6°
C23C24C25109.6°109.0°
C23C24H24109.4°109.5°
C23C24H24A109.4°109.5°
H23C23H23A109.5°109.6°
C25C24H24109.5°109.6°
C25C24H24A109.5°109.5°
C24C25C26108.9°109.1°
C24C25H25109.7°109.5°
C24C25H25A109.7°109.5°
H24C24H24A109.5°109.6°
C26C25H25109.7°109.5°
C26C25H25A109.7°109.5°
C25C26H26109.0°109.5°
C25C26H26A109.0°109.5°
H25C25H25A109.3°109.6°
H26C26H26A110.0°109.4°
C28C27H27119.2°118.9°
C27C28H28120.4°121.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C12C19179.3°179.8°
C1C2C3N4179.6°180.0°
C1C2C3C40.7°1.4°
C1C2C3C10179.8°176.3°
C1C2N4C15134.8°179.9°
C1C2N4C180.3°0.0°
C2C1C12C110.0°0.8°
C2C1C12C13179.6°179.1°
C2C1C19C180.3°0.2°
C2C1C19C20179.6°180.0°
C12C1C2C30.5°0.1°
C12C1C2N4179.8°179.9°
C1C12C13N3179.4°179.9°
C1C12C11C40.3°0.2°
C1C12C11C13179.7°180.0°
C1C12C11C14179.3°179.8°
C1C12C13H130.6°0.1°
C12C1C19C18179.6°179.9°
C12C1C19C200.2°0.2°
C19C1C2C3180.0°179.9°
C19C1C2N40.3°0.1°
C1C19C18N40.1°0.2°
C19C1C12C11179.3°179.4°
C19C1C12C130.4°0.7°
C1C19C18C20179.9°179.9°
C1C19C18C28180.0°179.9°
C1C19C20C21179.8°179.9°
C1C19C20H200.2°0.1°
N1N2C7C8179.9°180.0°
N2N1C6C50.1°0.6°
N1N2C7C50.0°0.3°
N2N1C6C9179.8°178.4°
N1N2C7H7180.0°179.7°
N1N2C8H80.0°90.0°
N1N2C8H8A120.0°150.0°
N1N2C8H8B120.0°30.0°
C6N1N2C70.1°0.2°
C6N1N2C8179.8°179.7°
N1C6C5C4179.8°178.9°
N1C6C5C9179.9°179.2°
N1C6C5C70.1°0.8°
N1C6C9C10150.9°149.0°
N1C6C9H989.2°91.0°
N1C6C9H9A30.9°28.9°
O1C14N3C13179.8°179.9°
O1C14N3C11179.9°180.0°
O1C14C11C40.1°0.2°
O1C14C11C12179.6°179.8°
C2C3C4C10179.4°177.6°
C2C3C4C5179.6°177.1°
C2C3C4C110.5°2.1°
C3C2N4C1545.5°0.1°
C3C2N4C18179.9°180.0°
C2C3C10C9149.1°145.7°
C2C3C10H1090.9°93.5°
C2C3C10H10A29.1°24.7°
N4C2C3C4179.6°178.6°
N4C2C3C100.2°3.7°
C2N4C15C18132.0°179.9°
C2N4C15C16101.7°67.8°
C2N4C15C1727.0°172.1°
C2N4C15H15143.1°52.2°
C2N4C18C190.1°0.1°
C2N4C18C28179.8°180.0°
N2C7C5C4179.8°179.1°
N2C7C5C60.0°0.7°
N2C7C5H7180.0°180.0°
C7N2C8H8179.9°89.9°
C7N2C8H8A59.9°30.1°
C7N2C8H8B60.1°150.0°
C8N2C7C5179.9°179.8°
C8N2C7H70.1°0.3°
N2C8H8H8A120.0°120.0°
N2C8H8H8B120.0°120.1°
N2C8H8AH8B120.0°120.0°
O2C22C21C2090.2°145.0°
O2C22C21C23123.1°120.0°
O2C22C21H22122.1°120.0°
O2C22C21C2789.3°35.0°
O2C22C23H22122.1°119.9°
O2C22C23C2458.3°57.6°
O2C22C23H2361.7°62.3°
O2C22C23H23A178.3°177.5°
C22O2C26C2559.4°61.2°
C22O2C26H2660.6°58.9°
C22O2C26H26A179.4°178.8°
C26O2C22C21171.2°178.8°
C26O2C22C2360.2°61.1°
C26O2C22H2255.6°58.8°
O2C26C25C2454.9°57.6°
O2C26C25H26120.0°120.1°
O2C26C25H26A120.0°120.0°
O2C26C25H2565.1°62.3°
O2C26C25H25A174.9°177.5°
O2C26H26H26A119.4°120.0°
C3C4C5C11179.9°179.2°
C3C4C5C615.8°13.0°
C3C4C5C7164.0°166.7°
C4C3C10C931.5°36.7°
C4C3C10H1088.5°84.1°
C4C3C10H10A151.5°157.7°
C3C4C11C120.0°1.3°
C3C4C11C14179.4°178.7°
C10C3C4C50.1°5.3°
C10C3C4C11179.9°175.5°
C3C10C9C644.3°47.4°
C3C10C9H10120.0°120.9°
C3C10C9H10A120.0°121.0°
C3C10C9H975.7°72.7°
C3C10C9H9A164.3°167.4°
C3C10H10H10A116.6°118.2°
N3C13C12C110.3°0.1°
C13N3C14C110.1°0.1°
N3C13C12H13180.0°179.9°
N3C14C11C4179.8°179.8°
N3C14C11C120.3°0.2°
C14N3C13C120.1°0.0°
C14N3C13H13179.9°179.9°
C4C5C6C7179.8°179.7°
C4C5C6C90.3°1.9°
C4C5C7H70.3°1.0°
C5C4C11C12179.9°177.8°
C5C4C11C140.6°2.2°
C11C4C5C6164.2°166.2°
C11C4C5C716.0°14.2°
C4C11C12C14179.6°180.0°
C4C11C12C13180.0°179.8°
N4C15C16C17130.8°120.1°
N4C15C16H15112.3°120.0°
N4C15C17H15112.5°120.0°
N4C15C16H16180.0°67.9°
N4C15C16H16A60.0°172.1°
N4C15C16H16B60.0°52.1°
N4C15C17H17180.0°49.5°
N4C15C17H17A60.0°169.6°
N4C15C17H17B60.0°70.4°
C15N4C18C19144.1°179.8°
C15N4C18C2835.7°0.1°
C18N4C15C16126.3°112.1°
C18N4C15C17105.0°8.0°
C18N4C15H1511.1°127.9°
N4C18C19C28179.9°179.9°
N4C18C19C20179.8°179.9°
N4C18C28C27179.6°179.5°
N4C18C28H280.4°0.0°
C6C5C7H7179.9°179.3°
C5C6C9C1029.2°32.0°
C5C6C9H990.7°88.0°
C5C6C9H9A149.2°152.1°
C7C5C6C9179.8°178.4°
C6C9C10H9120.0°120.0°
C6C9C10H9A120.0°120.0°
C6C9H9H9A120.2°119.9°
C6C9C10H1075.7°73.5°
C6C9C10H10A164.3°168.3°
H8C8H8AH8B120.0°120.0°
C10C9H9H9A120.2°120.0°
C9C10H10H10A116.6°118.2°
H9C9C10H10164.3°166.4°
H9C9C10H10A44.3°48.3°
H9AC9C10H1044.3°46.5°
H9AC9C10H10A75.7°71.6°
C11C12C13H13179.7°179.8°
C14C11C12C130.4°0.2°
C16C15C17H15116.2°120.0°
C15C16H16H16A120.0°120.0°
C15C16H16H16B120.0°120.0°
C15C16H16AH16B120.0°120.0°
C16C15C17H1748.8°169.6°
C16C15C17H17A71.3°70.3°
C16C15C17H17B168.7°49.7°
C17C15C16H1649.2°52.2°
C17C15C16H16A169.2°67.8°
C17C15C16H16B70.8°172.1°
C15C17H17H17A120.0°120.1°
C15C17H17H17B119.9°119.9°
C15C17H17AH17B120.0°120.0°
H15C15C16H1667.7°172.1°
H15C15C16H16A52.3°52.1°
H15C15C16H16B172.3°67.9°
H15C15C17H1767.5°70.4°
H15C15C17H17A172.5°49.7°
H15C15C17H17B52.5°169.7°
H16C16H16AH16B120.0°120.0°
H17C17H17AH17B120.0°119.9°
C18C19C20C210.0°0.2°
C18C19C20H20179.9°179.8°
C19C18C28C270.2°0.4°
C19C18C28H28179.8°179.9°
C28C18C19C200.1°0.0°
C18C28C27C210.1°0.6°
C18C28C27H28180.0°179.5°
C18C28C27H27179.9°179.8°
C19C20C21H20180.0°180.0°
C19C20C21C22179.4°180.0°
C19C20C21C270.1°0.0°
C20C21C22C27179.5°180.0°
C20C21C22C2332.9°95.0°
C20C21C22H22147.7°25.0°
C20C21C27C280.0°0.4°
C20C21C27H27180.0°180.0°
H20C20C21C220.6°0.0°
H20C20C21C27179.9°180.0°
C21C22C23H22114.7°120.0°
C21C22C23C24178.5°177.6°
C21C22C23H2361.5°57.7°
C21C22C23H23A58.5°62.5°
C22C21C27C28179.5°179.6°
C22C21C27H270.5°0.0°
C27C21C22C23147.6°84.9°
C27C21C22H2232.7°155.1°
C21C27C28H27180.0°179.6°
C21C27C28H28179.9°179.9°
C22C23C24H23120.0°119.9°
C22C23C24H23A120.0°119.9°
C22C23H23H23A120.0°120.1°
C22C23C24C2558.4°57.0°
C22C23C24H24178.4°176.9°
C22C23C24H24A61.7°62.9°
H22C22C23C2463.8°62.4°
H22C22C23H23176.2°177.8°
H22C22C23H23A56.2°57.6°
C24C23H23H23A120.0°120.2°
C23C24C25H24120.0°119.9°
C23C24C25H24A120.0°119.8°
C23C24H24H24A119.9°120.2°
C23C24C25C2655.8°57.0°
C23C24C25H2564.2°62.9°
C23C24C25H25A175.8°176.9°
H23C23C24C2561.6°62.9°
H23C23C24H2458.4°57.0°
H23C23C24H24A178.4°177.2°
H23AC23C24C25178.3°176.9°
H23AC23C24H2461.6°63.2°
H23AC23C24H24A58.3°57.0°
C25C24H24H24A120.0°120.3°
C24C25C26H25120.0°119.9°
C24C25C26H25A120.0°119.9°
C24C25H25H25A120.3°120.1°
C24C25C26H2665.1°62.4°
C24C25C26H26A174.9°177.6°
H24C24C25C26175.8°176.9°
H24C24C25H2555.8°56.9°
H24C24C25H25A64.2°63.3°
H24AC24C25C2664.2°62.9°
H24AC24C25H25175.8°177.2°
H24AC24C25H25A55.8°57.0°
C26C25H25H25A120.2°120.2°
C25C26H26H26A119.5°120.0°
H25C25C26H26174.9°177.7°
H25C25C26H26A54.9°57.7°
H25AC25C26H2654.9°57.4°
H25AC25C26H26A65.1°62.5°
H27C27C28H280.1°0.3°

222415

PDB entries from 2024-07-10

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