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B8X

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C26C25sing1.53Å1.53Å
C25C24sing1.53Å1.56Å
C23C1doub1.38Å1.43ÅAromatic
C23C3sing1.38Å1.41ÅAromatic
C1C6sing1.39Å1.41ÅAromatic
O3C21sing1.43Å1.44Å
C24C3sing1.51Å1.52Å
C3C4doub1.38Å1.44ÅAromatic
C21C20sing1.53Å1.56Å
C11C12doub1.38Å1.42ÅAromatic
C11C10sing1.39Å1.43ÅAromatic
C12C7sing1.38Å1.37ÅAromatic
C6C10sing1.48Å1.47Å
C6C5doub1.39Å1.42ÅAromatic
C10C9doub1.39Å1.41ÅAromatic
C4C5sing1.38Å1.39ÅAromatic
C4C13sing1.51Å1.52Å
O2S1doub1.42Å1.46Å
C20S1sing1.81Å1.85Å
C19N1doub1.32Å1.37ÅAromatic
C19C15sing1.38Å1.43ÅAromatic
C7S1sing1.76Å1.79Å
C7C8doub1.38Å1.41ÅAromatic
N1C18sing1.32Å1.39ÅAromatic
C9C8sing1.38Å1.41ÅAromatic
C30C13sing1.53Å1.49Å
C30C14sing1.53Å1.53Å
S1O1doub1.42Å1.47Å
C13C14sing1.53Å1.53Å
C15C16doub1.39Å1.43ÅAromatic
C18C14sing1.51Å1.52Å
C18C17doub1.38Å1.44ÅAromatic
C16C17sing1.39Å1.41ÅAromatic
C5H1sing1.08Å1.08Å
C11H2sing1.08Å1.08Å
C1H3sing1.08Å1.08Å
C8H4sing1.08Å1.08Å
C12H5sing1.08Å1.08Å
C20H6sing1.09Å1.10Å
C20H7sing1.09Å1.10Å
C21H8sing1.09Å1.10Å
C21H9sing1.09Å1.10Å
O3H10sing0.97Å0.95Å
C9H11sing1.08Å1.08Å
C24H12sing1.09Å1.10Å
C24H13sing1.09Å1.10Å
C25H14sing1.09Å1.10Å
C25H15sing1.09Å1.10Å
C26H16sing1.09Å1.10Å
C26H17sing1.09Å1.10Å
C26H18sing1.09Å1.10Å
C23H19sing1.08Å1.08Å
C13H20sing1.09Å1.10Å
C30H21sing1.09Å1.10Å
C30H22sing1.09Å1.10Å
C14H23sing1.09Å1.10Å
C19H24sing1.08Å1.08Å
C15H25sing1.08Å1.08Å
C16H26sing1.08Å1.08Å
C17H27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C26C25C24114.4°109.5°
C26C25H14108.2°109.5°
C26C25H15108.2°109.5°
C25C26H16109.5°109.5°
C25C26H17109.5°109.5°
C25C26H18109.4°109.5°
C25C24C3110.4°109.5°
C25C24H12109.2°109.5°
C25C24H13109.2°109.5°
C24C25H14108.2°109.4°
C24C25H15108.2°109.4°
C1C23C3116.9°120.1°
C23C1C6121.7°119.9°
C23C1H3119.1°120.1°
C1C23H19121.5°119.9°
C23C3C24121.0°119.9°
C23C3C4122.3°120.2°
C3C23H19121.6°120.0°
C1C6C10121.8°120.1°
C1C6C5119.3°119.7°
C6C1H3119.2°120.0°
O3C21C20106.5°109.5°
O3C21H8110.2°109.4°
O3C21H9110.2°109.5°
C21O3H10109.5°114.0°
C24C3C4116.7°119.9°
C3C24H12109.2°109.5°
C3C24H13109.2°109.5°
C3C4C5118.9°120.1°
C3C4C13121.9°119.9°
C21C20S1110.1°109.5°
C21C20H6109.3°109.4°
C21C20H7109.3°109.4°
C20C21H8110.2°109.5°
C20C21H9110.2°109.5°
C12C11C10118.4°119.9°
C11C12C7119.8°120.1°
C12C11H2120.8°120.1°
C11C12H5120.1°120.0°
C11C10C6121.5°120.2°
C11C10C9119.7°119.7°
C10C11H2120.8°120.0°
C12C7S1119.4°119.9°
C12C7C8123.8°120.3°
C7C12H5120.1°119.9°
C10C6C5118.9°120.1°
C6C10C9118.8°120.1°
C6C5C4120.8°119.9°
C6C5H1119.6°120.0°
C10C9C8121.9°119.9°
C10C9H11119.0°120.1°
C5C4C13119.2°120.0°
C4C5H1119.6°120.1°
C4C13C30120.3°117.4°
C4C13C14122.8°117.5°
C4C13H20114.1°115.6°
O2S1C20108.2°110.5°
O2S1C7101.3°104.3°
O2S1O1129.2°121.0°
C20S1C7111.8°104.5°
C20S1O198.9°110.6°
S1C20H6109.3°109.5°
S1C20H7109.3°109.5°
N1C19C15122.5°120.8°
C19N1C18117.9°121.7°
N1C19H24118.8°119.6°
C19C15C16120.1°119.1°
C15C19H24118.7°119.6°
C19C15H25120.0°120.4°
S1C7C8116.8°119.8°
C7S1O1107.5°104.2°
C7C8C9116.2°120.1°
C7C8H4121.9°120.0°
N1C18C14114.1°119.7°
N1C18C17121.9°120.8°
C9C8H4121.9°119.9°
C8C9H11119.0°120.0°
C13C30C1460.7°60.0°
C30C13C1460.8°60.0°
C30C13H20114.6°117.5°
C13C30H21119.9°117.5°
C13C30H22119.9°117.6°
C30C14C1358.5°60.0°
C30C14C18118.7°117.5°
C14C30H21119.9°117.4°
C14C30H22119.9°117.5°
C30C14H23115.6°117.6°
C13C14C18120.5°117.5°
C14C13H20114.0°117.5°
C13C14H23115.7°117.5°
C15C16C17117.3°118.4°
C16C15H25120.0°120.4°
C15C16H26121.3°120.8°
C14C18C17124.0°119.6°
C18C14H23115.8°115.5°
C18C17C16120.3°119.1°
C18C17H27119.9°120.4°
C17C16H26121.4°120.8°
C16C17H27119.8°120.4°
H6C20H7109.5°109.5°
H8C21H9109.5°109.5°
H12C24H13109.5°109.5°
H14C25H15109.5°109.5°
H16C26H17109.5°109.5°
H16C26H18109.5°109.4°
H17C26H18109.5°109.5°
H21C30H22109.5°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C26C25C24H14120.8°120.0°
C26C25C24H15120.7°120.0°
C26C25C24C3179.4°180.0°
C26C25C24H1259.3°59.9°
C26C25C24H1360.4°60.0°
C26C25H14H15117.8°120.0°
C25C26H16H17120.0°120.1°
C25C26H16H18120.0°120.0°
C25C26H17H18120.0°120.0°
C25C24C3C2364.1°95.0°
C25C24C3H12120.1°120.0°
C25C24C3H13120.1°120.0°
C25C24C3C4114.4°85.0°
C25C24H12H13119.5°120.0°
C24C25H14H15117.7°120.0°
C24C25C26H16180.0°180.0°
C24C25C26H1760.0°60.0°
C24C25C26H1860.0°60.0°
C1C23C3H19180.0°179.7°
C23C1C6H3180.0°180.0°
C1C23C3C24179.7°179.7°
C1C23C3C41.8°0.3°
C23C1C6C10178.4°180.0°
C23C1C6C53.0°0.0°
C3C23C1C62.5°0.3°
C23C3C24C4178.5°180.0°
C23C3C4C51.6°0.0°
C23C3C4C13179.6°180.0°
C3C23C1H3177.5°179.7°
C23C3C24H1256.1°25.0°
C23C3C24H13175.8°145.0°
C1C6C10C1115.6°0.0°
C1C6C10C5178.6°180.0°
C1C6C10C9163.9°180.0°
C1C6C5C42.7°0.2°
C1C6C5H1177.3°180.0°
C6C1C23H19177.5°180.0°
O3C21C20H8119.5°120.0°
O3C21C20H9119.5°120.0°
O3C21C20S187.5°180.0°
O3C21C20H632.6°60.0°
O3C21C20H7152.4°60.0°
O3C21H8H9121.4°120.0°
C24C3C4C5179.9°180.0°
C24C3C4C131.9°0.1°
C3C24H12H13119.6°120.0°
C3C24C25H1459.8°60.0°
C3C24C25H1558.7°60.0°
C24C3C23H190.2°0.0°
C3C4C5C62.0°0.2°
C3C4C5C13178.0°180.0°
C3C4C13C3059.6°171.3°
C3C4C13C14132.4°120.1°
C3C4C5H1178.0°180.0°
C4C3C24H12125.4°155.0°
C4C3C24H135.7°35.0°
C4C3C23H19178.2°180.0°
C3C4C13H2082.6°25.6°
C21C20S1O241.0°68.4°
C21C20S1H6120.1°120.0°
C21C20S1H7120.1°120.0°
C21C20S1C769.7°180.0°
C21C20S1O1177.4°68.4°
C21C20H6H7119.7°119.9°
C20C21H8H9121.4°120.0°
C20C21O3H10180.0°180.0°
C12C11C10H2180.0°179.8°
C11C12C7H5180.0°179.9°
C12C11C10C6179.3°180.0°
C12C11C10C90.2°0.0°
C11C12C7S1178.0°180.0°
C11C12C7C84.5°0.0°
C10C11C12C72.6°0.0°
C11C10C6C9179.5°180.0°
C11C10C6C5163.0°180.0°
C11C10C9C80.5°0.0°
C10C11C12H5177.4°179.9°
C11C10C9H11179.5°180.0°
C12C7S1O227.9°153.9°
C12C7S1C2087.0°90.0°
C12C7S1C8177.7°180.0°
C12C7C8C93.7°0.0°
C12C7S1O1165.5°26.1°
C7C12C11H2177.5°179.7°
C12C7C8H4176.3°180.0°
C10C6C5C4178.7°179.8°
C6C10C9C8180.0°180.0°
C10C6C5H11.3°0.0°
C6C10C11H20.7°0.3°
C10C6C1H31.6°0.0°
C6C10C9H110.0°0.0°
C5C6C10C917.5°0.0°
C6C5C4H1180.0°179.8°
C6C5C4C13180.0°179.8°
C5C6C1H3177.0°180.0°
C10C9C8C71.1°0.0°
C10C9C8H11180.0°180.0°
C9C10C11H2179.8°179.8°
C10C9C8H4178.9°180.0°
C5C4C13C30122.4°8.6°
C5C4C13C1449.6°60.0°
C5C4C13H2095.4°154.3°
C4C13C30C14113.1°107.5°
C4C13C30H20142.0°145.0°
C4C13C14H20145.0°145.0°
C4C13C14C182.1°0.1°
C13C4C5H10.0°0.0°
C4C13C30H21137.2°145.1°
C4C13C30H223.5°0.0°
C4C13C14H23145.3°145.0°
O2S1C20C7110.7°111.6°
O2S1C20O1136.4°136.8°
O2S1C7O1137.5°127.8°
O2S1C7C8154.4°26.1°
O2S1C20H6161.1°171.6°
O2S1C20H779.1°51.6°
C20S1C7O1107.5°116.1°
C20S1C7C890.6°90.0°
S1C20H6H7119.7°120.0°
S1C20C21H8152.9°60.0°
S1C20C21H932.0°60.0°
N1C19C15H24180.0°180.0°
N1C19C15C160.2°0.0°
C19N1C18C14177.3°180.0°
C19N1C18C171.3°0.2°
N1C19C15H25179.8°180.0°
C15C19N1C180.9°0.0°
C19C15C16H25180.0°180.0°
C19C15C16C170.9°0.2°
C19C15C16H26179.0°179.9°
S1C7C8C9178.8°180.0°
S1C7C8H41.2°0.0°
S1C7C12H52.0°0.1°
C7S1C20H650.4°60.0°
C7S1C20H7170.2°60.0°
C7C8C9H4180.0°180.0°
C8C7S1O116.9°153.9°
C8C7C12H5175.5°179.9°
C7C8C9H11178.9°180.0°
N1C18C14C3010.1°163.8°
N1C18C14C1358.2°95.2°
N1C18C14C17178.5°179.8°
N1C18C17C160.5°0.4°
N1C18C14H23154.4°50.4°
C18N1C19H24179.1°180.0°
N1C18C17H27179.5°179.7°
C13C30C14H21109.6°107.5°
C13C30C14H22109.7°107.6°
C30C13C14H20105.9°107.5°
C30C13C14C18107.0°107.5°
C13C30H21H22144.3°145.8°
C13C30C14H23105.6°107.5°
C30C14C18H23144.3°145.7°
C30C14C18C17171.4°16.3°
C14C30H21H22144.4°145.6°
O1S1C20H662.5°51.6°
O1S1C20H757.3°171.6°
C13C14C18H23147.4°145.6°
C13C14C18C17120.3°85.0°
C15C16C17C180.6°0.4°
C15C16C17H26180.0°179.9°
C16C15C19H24179.8°180.0°
C15C16C17H27179.4°179.8°
C14C18C17C16177.9°179.7°
C18C14C13H20147.2°145.0°
C18C14C30H21140.3°145.0°
C18C14C30H220.4°0.1°
C14C18C17H272.1°0.1°
C18C17C16H27180.0°179.8°
C17C18C14H2327.1°129.4°
C18C17C16H26179.4°179.7°
C17C16C15H25179.1°179.8°
H2C11C12H52.6°0.2°
H3C1C23H192.5°0.0°
H4C8C9H111.2°0.0°
H6C20C21H887.0°179.9°
H6C20C21H9152.1°60.0°
H7C20C21H832.9°60.0°
H7C20C21H988.1°180.0°
H8C21O3H1060.5°60.0°
H9C21O3H1060.5°60.0°
H12C24C25H14180.0°180.0°
H12C24C25H1561.5°60.0°
H13C24C25H1460.3°60.0°
H13C24C25H15178.8°180.0°
H14C25C26H1659.3°60.0°
H14C25C26H1760.7°179.9°
H14C25C26H18179.3°59.9°
H15C25C26H1659.3°60.1°
H15C25C26H17179.3°60.0°
H15C25C26H1860.7°180.0°
H16C26H17H18120.0°119.9°
H20C13C30H214.8°0.0°
H20C13C30H22145.4°145.0°
H20C13C14H230.3°0.0°
H21C30C14H234.0°0.0°
H22C30C14H23144.7°144.9°
H24C19C15H250.2°0.0°
H25C15C16H261.0°0.1°
H26C16C17H270.6°0.1°

222624

PDB entries from 2024-07-17

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