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3RS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C25C26sing1.53Å1.53Å
C26C27sing1.53Å1.53Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
O28C27sing1.43Å1.46Å
C27C32sing1.53Å1.52Å
C27C31sing1.53Å1.54Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C31H31Bsing1.09Å1.10Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C32H32Bsing1.09Å1.10Å
C29O28sing1.43Å1.47Å
C30C29sing1.53Å1.53Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C30C25sing1.53Å1.53Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
N15C25sing1.46Å1.47Å
C25H25sing1.09Å1.10Å
C14N15sing1.35Å1.33Å
N15HN15sing0.97Å1.00Å
C13C14sing1.51Å1.53Å
C14O16doub1.21Å1.23Å
C17C13sing1.53Å1.53Å
C12C13sing1.53Å1.56Å
C13H13sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C17H17Bsing1.09Å1.10Å
C12C9sing1.51Å1.55Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C8C9doub1.40Å1.41ÅAromatic
C9C10sing1.36Å1.40ÅAromatic
N11C8sing1.39Å1.32Å
C8N7sing1.32Å1.34ÅAromatic
N7C4doub1.34Å1.34ÅAromatic
N11HN11sing0.97Å1.00Å
N11HN1Asing0.97Å1.00Å
C10C5doub1.41Å1.40ÅAromatic
C10H10sing1.08Å1.08Å
C4C5sing1.42Å1.40ÅAromatic
C5C6sing1.40Å1.41ÅAromatic
C6C1doub1.38Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
C4C3sing1.41Å1.40ÅAromatic
C3C2doub1.36Å1.39ÅAromatic
C3H3sing1.08Å1.08Å
C2C1sing1.40Å1.40ÅAromatic
C2H2sing1.08Å1.08Å
C1C18sing1.48Å1.40ÅAromatic
C18C23doub1.39Å1.41ÅAromatic
C18C19sing1.39Å1.40ÅAromatic
C19C20doub1.38Å1.39ÅAromatic
C19H19sing1.08Å1.08Å
C20C21sing1.38Å1.39ÅAromatic
C20H20sing1.08Å1.08Å
C22C21doub1.38Å1.39ÅAromatic
C21H21sing1.08Å1.08Å
C23C22sing1.38Å1.40ÅAromatic
C22H22sing1.08Å1.08Å
C24C23sing1.51Å1.54Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C24H24Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C25C26C27113.4°109.2°
C25C26H26108.2°109.5°
C25C26H26A108.2°109.5°
C26C25C30110.5°109.0°
C26C25N15106.3°109.6°
C26C25H25110.8°109.5°
C27C26H26108.2°109.5°
C27C26H26A108.2°109.6°
C26C27O28109.6°109.5°
C26C27C32108.0°109.5°
C26C27C31111.3°109.5°
H26C26H26A110.7°109.5°
O28C27C32106.4°109.5°
O28C27C31111.1°109.5°
C27O28C29115.7°114.1°
C32C27C31110.3°109.5°
C27C32H32109.5°109.5°
C27C32H32A109.5°109.5°
C27C32H32B109.4°109.5°
C27C31H31109.5°109.5°
C27C31H31A109.5°109.5°
C27C31H31B109.5°109.5°
H31C31H31A109.5°109.4°
H31C31H31B109.5°109.5°
H31AC31H31B109.4°109.4°
H32C32H32A109.4°109.4°
H32C32H32B109.5°109.5°
H32AC32H32B109.5°109.5°
O28C29C30110.2°109.4°
O28C29H29109.2°109.5°
O28C29H29A109.2°109.5°
C30C29H29109.2°109.5°
C30C29H29A109.2°109.4°
C29C30C25110.9°109.2°
C29C30H30109.0°109.5°
C29C30H30A109.0°109.5°
H29C29H29A109.7°109.5°
C25C30H30109.0°109.5°
C25C30H30A109.0°109.5°
C30C25N15109.2°109.5°
C30C25H25108.0°109.5°
H30C30H30A109.9°109.6°
N15C25H25112.0°109.6°
C25N15C14122.9°120.0°
C25N15HN15118.6°120.0°
C14N15HN15118.5°120.0°
N15C14C13115.5°120.0°
N15C14O16123.9°120.0°
C13C14O16120.6°120.0°
C14C13C17108.9°109.5°
C14C13C12110.7°109.5°
C14C13H13110.6°109.5°
C17C13C12113.6°109.5°
C17C13H13107.4°109.4°
C13C17H17109.5°109.5°
C13C17H17A109.5°109.4°
C13C17H17B109.4°109.5°
C12C13H13105.5°109.5°
C13C12C9108.6°109.5°
C13C12H12109.8°109.5°
C13C12H12A109.8°109.4°
H17C17H17A109.5°109.5°
H17C17H17B109.5°109.5°
H17AC17H17B109.5°109.4°
C9C12H12109.8°109.5°
C9C12H12A109.8°109.5°
C12C9C8124.2°120.1°
C12C9C10118.6°120.1°
H12C12H12A109.2°109.4°
C8C9C10117.2°119.8°
C9C8N11121.3°119.2°
C9C8N7121.4°121.6°
C9C10C5120.4°118.3°
C9C10H10119.8°120.8°
N11C8N7117.3°119.2°
C8N11HN11109.5°120.1°
C8N11HN1A109.5°120.0°
C8N7C4122.0°121.3°
N7C4C5120.2°119.9°
N7C4C3119.1°120.8°
HN11N11HN1A109.4°120.0°
C5C10H10119.8°120.8°
C10C5C4118.7°119.1°
C10C5C6121.8°121.1°
C4C5C6119.4°119.8°
C5C4C3120.7°119.3°
C5C6C1120.0°119.4°
C5C6H6120.0°120.3°
C1C6H6120.0°120.2°
C6C1C2119.7°120.4°
C6C1C18122.5°119.8°
C4C3C2119.7°120.1°
C4C3H3120.2°119.9°
C2C3H3120.1°119.9°
C3C2C1120.5°120.9°
C3C2H2119.7°119.6°
C1C2H2119.8°119.5°
C2C1C18117.8°119.8°
C1C18C23122.0°120.1°
C1C18C19118.7°120.2°
C23C18C19119.3°119.7°
C18C23C22120.2°119.9°
C18C23C24123.1°120.1°
C18C19C20120.4°119.9°
C18C19H19119.8°120.1°
C20C19H19119.8°120.1°
C19C20C21119.9°120.1°
C19C20H20120.0°120.0°
C21C20H20120.0°119.9°
C20C21C22120.6°120.3°
C20C21H21119.7°119.9°
C22C21H21119.7°119.9°
C21C22C23119.5°120.1°
C21C22H22120.2°119.9°
C23C22H22120.3°120.0°
C22C23C24116.7°120.0°
C23C24H24109.5°109.5°
C23C24H24A109.5°109.5°
C23C24H24B109.5°109.5°
H24C24H24A109.5°109.5°
H24C24H24B109.5°109.4°
H24AC24H24B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C25C26C27H26120.0°119.9°
C25C26C27H26A120.0°120.0°
C25C26H26H26A118.4°120.1°
C25C26C27O2851.1°57.6°
C25C26C27C32166.7°177.6°
C25C26C27C3172.1°62.4°
C26C25C30C2953.1°56.9°
C26C25C30N15116.7°119.9°
C26C25C30H25121.3°119.8°
C26C25C30H30173.1°176.8°
C26C25C30H30A66.9°62.9°
C26C25N15H25121.2°120.2°
C26C25N15C1482.1°155.4°
C26C25N15HN1597.9°24.6°
C27C26H26H26A118.4°120.2°
C26C27O28C32116.5°120.0°
C26C27O28C31123.4°120.0°
C26C27C32C31121.8°120.0°
C26C27C31H31180.0°60.0°
C26C27C31H31A60.0°180.0°
C26C27C31H31B60.0°60.0°
C26C27C32H32180.0°60.0°
C26C27C32H32A60.0°180.0°
C26C27C32H32B60.0°60.0°
C26C27O28C2954.9°61.1°
C27C26C25C3051.9°56.9°
C27C26C25N15170.4°176.8°
C27C26C25H2567.7°62.9°
H26C26C27O28171.2°62.3°
H26C26C27C3273.3°57.7°
H26C26C27C3147.9°177.7°
H26C26C25C30171.9°63.0°
H26C26C25N1569.6°56.9°
H26C26C25H2552.3°177.2°
H26AC26C27O2868.9°177.6°
H26AC26C27C3246.7°62.4°
H26AC26C27C31167.9°57.6°
H26AC26C25C3068.1°176.9°
H26AC26C25N1550.3°63.2°
H26AC26C25H25172.3°57.1°
O28C27C32C31120.6°120.0°
O28C27C31H3157.5°180.0°
O28C27C31H31A62.5°60.0°
O28C27C31H31B177.6°59.9°
O28C27C32H3262.4°60.0°
O28C27C32H32A177.7°60.0°
O28C27C32H32B57.7°180.0°
C27O28C29C3057.7°61.1°
C27O28C29H2962.3°58.9°
C27O28C29H29A177.7°178.9°
C32C27C31H3160.2°60.0°
C32C27C31H31A179.8°60.0°
C32C27C31H31B59.8°180.0°
C27C32H32H32A120.0°120.0°
C27C32H32H32B120.0°120.0°
C27C32H32AH32B120.0°120.0°
C32C27O28C29171.4°178.9°
C27C31H31H31A120.0°120.0°
C27C31H31H31B120.0°120.0°
C27C31H31AH31B120.0°120.0°
C31C27C32H3258.2°180.0°
C31C27C32H32A61.8°60.0°
C31C27C32H32B178.2°60.0°
C31C27O28C2968.5°58.9°
H31C31H31AH31B120.0°120.0°
H32C32H32AH32B120.0°120.0°
O28C29C30H29120.0°120.0°
O28C29C30H29A120.0°120.0°
O28C29H29H29A119.7°120.1°
O28C29C30C2555.2°57.6°
O28C29C30H30175.2°177.5°
O28C29C30H30A64.8°62.3°
C30C29H29H29A119.7°120.0°
C29C30C25H30120.0°119.9°
C29C30C25H30A120.0°119.9°
C29C30H30H30A119.4°120.1°
C29C30C25N15169.7°176.9°
C29C30C25H2568.2°62.9°
H29C29C30C2564.8°62.4°
H29C29C30H3055.2°57.5°
H29C29C30H30A175.2°177.7°
H29AC29C30C25175.2°177.6°
H29AC29C30H3064.8°62.5°
H29AC29C30H30A55.2°57.7°
C25C30H30H30A119.4°120.2°
C30C25N15H25119.6°120.2°
C30C25N15C14158.6°85.0°
C30C25N15HN1521.4°95.0°
H30C30C25N1570.2°63.3°
H30C30C25H2551.8°57.0°
H30AC30C25N1549.7°57.0°
H30AC30C25H25171.8°177.2°
C25N15C14HN15180.0°180.0°
C25N15C14C13177.5°180.0°
C25N15C14O161.7°0.0°
H25C25N15C1439.0°35.2°
H25C25N15HN15141.0°144.8°
N15C14C13O16179.3°180.0°
N15C14C13C17127.6°60.0°
N15C14C13C12106.9°180.0°
N15C14C13H139.7°60.0°
HN15N15C14C132.5°0.0°
HN15N15C14O16178.3°180.0°
C14C13C17C12123.8°120.1°
C14C13C17H13119.9°120.0°
C14C13C12H13119.7°120.0°
C14C13C17H17180.0°174.5°
C14C13C17H17A60.0°65.5°
C14C13C17H17B60.0°54.4°
C14C13C12C957.0°174.5°
C14C13C12H1263.0°54.4°
C14C13C12H12A176.9°65.5°
O16C14C13C1753.2°120.0°
O16C14C13C1272.4°0.0°
O16C14C13H13171.0°120.0°
C17C13C12H13117.5°120.0°
C13C17H17H17A120.0°120.0°
C13C17H17H17B120.0°120.0°
C13C17H17AH17B120.0°119.9°
C17C13C12C9179.8°65.5°
C17C13C12H1259.8°174.4°
C17C13C12H12A60.2°54.5°
C12C13C17H1756.2°65.5°
C12C13C17H17A63.8°54.5°
C12C13C17H17B176.2°174.4°
C13C12C9H12120.0°120.0°
C13C12C9H12A120.0°120.0°
C13C12H12H12A120.4°119.9°
C13C12C9C867.5°80.9°
C13C12C9C10110.9°99.5°
H13C13C17H1760.1°54.5°
H13C13C17H17A179.8°174.5°
H13C13C17H17B59.9°65.6°
H13C13C12C962.8°54.5°
H13C13C12H12177.3°65.6°
H13C13C12H12A57.2°174.5°
H17C17H17AH17B120.0°120.0°
C9C12H12H12A120.4°120.0°
C12C9C8C10178.5°179.6°
C12C9C8N112.1°0.1°
C12C9C8N7178.4°179.9°
C12C9C10C5179.0°180.0°
C12C9C10H101.1°0.1°
H12C12C9C8172.5°39.1°
H12C12C9C109.1°140.5°
H12AC12C9C852.5°159.1°
H12AC12C9C10129.1°20.5°
C9C8N11N7179.5°180.0°
C9C8N7C40.2°0.0°
C9C8N11HN11179.5°5.7°
C9C8N11HN1A59.5°174.3°
C8C9C10C50.4°0.3°
C8C9C10H10179.6°179.7°
C10C9C8N11179.4°179.7°
C10C9C8N70.0°0.3°
C9C10C5H10180.0°179.9°
C9C10C5C40.7°0.1°
C9C10C5C6179.9°180.0°
N11C8N7C4179.3°180.0°
C8N11HN11HN1A120.0°180.0°
N7C8N11HN110.0°174.3°
N7C8N11HN1A120.0°5.7°
C8N7C4C50.1°0.3°
C8N7C4C3179.8°180.0°
N7C4C5C100.5°0.2°
N7C4C5C3179.7°179.7°
N7C4C5C6180.0°179.7°
N7C4C3C2179.7°180.0°
N7C4C3H30.3°0.1°
C10C5C4C6179.5°179.9°
C10C5C6C1179.8°180.0°
C10C5C6H60.2°0.0°
C10C5C4C3179.8°179.9°
H10C10C5C4179.3°180.0°
H10C10C5C60.1°0.0°
C4C5C6C10.7°0.0°
C4C5C6H6179.3°179.9°
C5C4C3C20.0°0.3°
C5C4C3H3180.0°179.8°
C5C6C1H6180.0°180.0°
C6C5C4C30.3°0.0°
C5C6C1C20.9°0.2°
C5C6C1C18179.6°180.0°
C6C1C2C30.6°0.5°
C6C1C2C18179.6°179.8°
C6C1C2H2179.4°180.0°
C6C1C18C2368.3°130.0°
C6C1C18C19113.2°49.7°
H6C6C1C2179.1°179.8°
H6C6C1C180.4°0.0°
C4C3C2H3180.0°179.9°
C4C3C2C10.2°0.6°
C4C3C2H2179.8°180.0°
C3C2C1H2180.0°179.4°
C3C2C1C18179.8°179.7°
H3C3C2C1179.8°179.5°
H3C3C2H20.2°0.1°
C2C1C18C23112.1°49.8°
C2C1C18C1966.3°130.5°
H2C2C1C180.2°0.2°
C1C18C23C19178.5°179.8°
C1C18C19C20179.3°180.0°
C1C18C19H190.7°0.0°
C1C18C23C22179.5°179.7°
C1C18C23C241.5°0.0°
C23C18C19C200.8°0.2°
C23C18C19H19179.2°179.8°
C18C23C22C210.8°0.6°
C18C23C22C24179.1°179.7°
C18C23C22H22179.2°179.7°
C18C23C24H2490.5°90.0°
C18C23C24H24A149.5°150.0°
C18C23C24H24B29.5°30.0°
C18C19C20H19180.0°180.0°
C18C19C20C210.3°0.0°
C18C19C20H20179.7°180.0°
C19C18C23C221.0°0.5°
C19C18C23C24179.9°179.7°
C19C20C21H20180.0°180.0°
C19C20C21C220.0°0.0°
C19C20C21H21180.0°180.0°
H19C19C20C21179.7°180.0°
H19C19C20H200.2°0.0°
C20C21C22H21180.0°179.9°
C20C21C22C230.2°0.4°
C20C21C22H22179.8°180.0°
H20C20C21C22180.0°179.9°
H20C20C21H210.0°0.0°
C21C22C23H22180.0°179.7°
C21C22C23C24179.9°179.7°
H21C21C22C23179.8°179.7°
H21C21C22H220.2°0.0°
C22C23C24H2490.4°89.7°
C22C23C24H24A29.6°30.3°
C22C23C24H24B149.6°150.3°
H22C22C23C240.1°0.0°
C23C24H24H24A120.0°120.0°
C23C24H24H24B120.0°120.0°
C23C24H24AH24B120.0°120.0°
H24C24H24AH24B120.0°120.0°

223532

PDB entries from 2024-08-07

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