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BQN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F6C12sing1.40Å1.32Å
C12F4sing1.40Å1.31Å
C12F5sing1.40Å1.32Å
C12C11sing1.51Å1.53Å
C11C9doub1.37Å1.42ÅAromatic
C11C13sing1.39Å1.40ÅAromatic
C9C10sing1.51Å1.52Å
C9C8sing1.40Å1.41ÅAromatic
C10F3sing1.40Å1.31Å
C10F2sing1.40Å1.32Å
C10F1sing1.40Å1.32Å
C13Ssing1.76Å1.70Å
C13C26doub1.39Å1.40ÅAromatic
SC14sing1.76Å1.70Å
C14C19doub1.39Å1.40ÅAromatic
C14C15sing1.39Å1.39ÅAromatic
C19O3sing1.36Å1.38Å
C19C18sing1.39Å1.40ÅAromatic
O3C20sing1.43Å1.43Å
C20C21sing1.51Å1.51Å
C21C25doub1.39Å1.39ÅAromatic
C21C22sing1.38Å1.39ÅAromatic
C25C24sing1.39Å1.39ÅAromatic
C24C23doub1.38Å1.40ÅAromatic
C23N2sing1.32Å1.34ÅAromatic
N2C22doub1.32Å1.34ÅAromatic
C18C17doub1.38Å1.39ÅAromatic
C17C16sing1.38Å1.39ÅAromatic
C16C15doub1.38Å1.39ÅAromatic
C26C27sing1.37Å1.39ÅAromatic
C27C8doub1.40Å1.39ÅAromatic
C8C7sing1.47Å1.49Å
C7C6doub1.35Å1.34Å
C6C1sing1.46Å1.48Å
C1O1doub1.22Å1.22Å
C1N1sing1.35Å1.34Å
N1C5sing1.47Å1.47Å
N1C2sing1.47Å1.46Å
C5C4sing1.53Å1.53Å
C4O2sing1.43Å1.44Å
O2C3sing1.43Å1.43Å
C3C2sing1.53Å1.52Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C25H25sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F6C12F4110.2°109.5°
F6C12F5104.4°109.5°
F6C12C11109.0°109.5°
F4C12F5107.8°109.5°
F4C12C11113.4°109.4°
F5C12C11111.6°109.4°
C12C11C9121.5°120.0°
C12C11C13119.3°119.9°
C9C11C13119.1°120.1°
C11C9C10121.3°120.0°
C11C9C8119.8°119.9°
C11C13S122.9°119.9°
C11C13C26120.1°120.1°
C10C9C8118.8°120.1°
C9C10F3115.0°109.5°
C9C10F2107.5°109.5°
C9C10F1111.1°109.5°
C9C8C27120.1°119.8°
C9C8C7120.9°120.1°
F3C10F2110.0°109.4°
F3C10F1109.6°109.5°
F2C10F1102.9°109.5°
SC13C26116.9°119.9°
C13SC14108.0°103.0°
C13C26C27120.8°120.1°
C13C26H26119.6°119.9°
SC14C19121.4°120.0°
SC14C15118.7°120.1°
C19C14C15119.8°119.9°
C14C19O3119.5°120.1°
C14C19C18119.8°119.8°
C14C15C16120.2°120.0°
C14C15H15119.9°120.0°
O3C19C18120.6°120.1°
C19O3C20122.7°117.0°
C19C18C17120.1°120.0°
C19C18H18119.9°119.9°
O3C20C21109.9°109.5°
O3C20H20109.3°109.5°
O3C20H20A109.2°109.4°
C20C21C25120.7°120.4°
C20C21C22120.0°120.4°
C21C20H20109.3°109.4°
C21C20H20A109.2°109.5°
C25C21C22119.3°119.2°
C21C25C24119.1°118.4°
C21C25H25120.4°120.8°
C21C22N2120.3°120.7°
C21C22H22119.9°119.7°
C25C24C23119.3°119.2°
C24C25H25120.5°120.8°
C25C24H24120.4°120.4°
C24C23N2120.2°120.8°
C23C24H24120.4°120.4°
C24C23H23119.9°119.7°
C23N2C22121.7°121.7°
N2C23H23119.9°119.6°
N2C22H22119.8°119.6°
C18C17C16119.9°120.2°
C17C18H18119.9°120.0°
C18C17H17120.1°119.9°
C17C16C15120.0°120.2°
C16C17H17120.0°119.9°
C17C16H16120.0°119.9°
C15C16H16120.0°120.0°
C16C15H15119.9°120.0°
C26C27C8120.1°119.9°
C27C26H26119.6°120.0°
C26C27H27120.0°120.0°
C27C8C7119.0°120.1°
C8C27H27119.9°120.1°
C8C7C6123.8°120.0°
C8C7H7118.1°120.0°
C7C6C1119.8°120.0°
C6C7H7118.1°120.0°
C7C6H6120.1°120.0°
C6C1O1118.1°120.0°
C6C1N1120.8°120.0°
C1C6H6120.1°120.0°
O1C1N1121.1°120.0°
C1N1C5124.5°121.0°
C1N1C2120.4°121.0°
C5N1C2115.1°118.1°
N1C5C4106.1°108.3°
N1C5H5110.6°109.7°
N1C5H5A111.3°109.7°
N1C2C3104.2°108.6°
N1C2H2111.2°109.7°
N1C2H2A112.4°109.7°
C5C4O2110.7°109.2°
C4C5H5110.6°109.7°
C4C5H5A111.3°109.7°
C5C4H4109.0°109.5°
C5C4H4A108.8°109.5°
C4O2C3113.2°114.2°
O2C4H4109.1°109.5°
O2C4H4A108.8°109.5°
O2C3C2107.7°109.3°
O2C3H3110.1°109.5°
O2C3H3A110.4°109.5°
C2C3H3110.1°109.6°
C2C3H3A110.4°109.4°
C3C2H2111.3°109.6°
C3C2H2A112.4°109.6°
H20C20H20A109.8°109.5°
H5C5H5A106.9°109.7°
H4C4H4A110.4°109.5°
H3C3H3A108.1°109.6°
H2C2H2A105.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F6C12F4F5113.3°120.1°
F6C12F4C11122.5°120.0°
F6C12F5C11117.6°120.0°
F6C12C11C934.3°82.9°
F6C12C11C13142.3°97.4°
F4C12F5C11125.3°119.9°
F4C12C11C988.8°37.1°
F4C12C11C1394.5°142.6°
F5C12C11C9149.1°157.1°
F5C12C11C1327.6°22.7°
C12C11C9C13176.7°179.7°
C12C11C9C105.7°0.0°
C12C11C9C8178.7°180.0°
C12C11C13S3.6°0.1°
C12C11C13C26177.9°180.0°
C11C9C10C8175.7°180.0°
C11C9C10F385.3°87.0°
C11C9C10F237.6°153.1°
C11C9C10F1149.4°33.1°
C9C11C13S179.6°179.7°
C9C11C13C261.2°0.3°
C11C9C8C272.1°0.1°
C11C9C8C7179.8°180.0°
C13C11C9C10177.7°179.7°
C13C11C9C82.0°0.3°
C11C13SC26178.5°179.9°
C11C13SC14172.0°174.2°
C11C13C26C270.4°0.0°
C11C13C26H26179.6°180.0°
C9C10F3F2121.6°120.0°
C9C10F3F1126.0°120.1°
C9C10F2F1117.4°120.1°
C10C9C8C27177.9°180.0°
C10C9C8C74.5°0.0°
C8C9C10F399.0°93.1°
C8C9C10F2138.1°26.9°
C8C9C10F126.3°146.9°
C9C8C27C261.3°0.2°
C9C8C27C7177.7°180.0°
C9C8C7C6156.9°163.0°
C9C8C27H27178.7°180.0°
C9C8C7H723.0°17.0°
F3C10F2F1116.7°120.0°
C13SC14C1971.1°78.7°
C13SC14C15108.1°101.6°
SC13C26C27179.0°180.0°
SC13C26H261.1°0.1°
C26C13SC146.6°5.7°
C13C26C27H26180.0°179.9°
C13C26C27C80.5°0.2°
C13C26C27H27179.5°180.0°
SC14C19C15179.2°179.7°
SC14C19O30.5°0.0°
SC14C19C18179.5°180.0°
SC14C15C16179.3°179.7°
SC14C15H150.7°0.1°
C14C19O3C18180.0°180.0°
C14C19O3C20163.4°180.0°
C14C19C18C170.4°0.0°
C19C14C15C160.1°0.6°
C14C19C18H18179.6°180.0°
C19C14C15H15179.9°179.7°
C15C14C19O3179.7°179.7°
C15C14C19C180.3°0.3°
C14C15C16C170.0°0.6°
C14C15C16H15180.0°179.6°
C14C15C16H16180.0°179.7°
C19O3C20C2193.1°180.0°
O3C19C18C17179.6°180.0°
C19O3C20H20146.9°60.0°
C19O3C20H20A26.7°60.0°
O3C19C18H180.4°0.0°
C18C19O3C2016.6°0.0°
C19C18C17H18180.0°179.9°
C19C18C17C160.3°0.1°
C19C18C17H17179.7°180.0°
O3C20C21H20120.0°120.0°
O3C20C21H20A119.8°120.0°
O3C20C21C2525.0°90.0°
O3C20C21C22155.1°90.3°
O3C20H20H20A119.8°120.0°
C20C21C25C22179.8°179.7°
C20C21C25C24180.0°179.9°
C20C21C22N2179.9°179.7°
C21C20H20H20A119.8°120.0°
C20C21C25H250.0°0.0°
C20C21C22H220.1°0.0°
C21C25C24H25180.0°179.9°
C21C25C24C230.2°0.0°
C25C21C22N20.1°0.5°
C25C21C20H2094.9°30.0°
C25C21C20H20A144.8°150.0°
C21C25C24H24179.8°180.0°
C25C21C22H22179.9°179.8°
C22C21C25C240.2°0.2°
C21C22N2C230.0°0.6°
C21C22N2H22180.0°179.7°
C22C21C20H2084.9°149.7°
C22C21C20H20A35.3°29.7°
C22C21C25H25179.8°179.7°
C25C24C23H24180.0°180.0°
C25C24C23N20.1°0.0°
C25C24C23H23179.9°180.0°
C24C23N2H23180.0°179.9°
C24C23N2C220.0°0.4°
C23C24C25H25179.8°180.0°
N2C23C24H24179.8°179.9°
C23N2C22H22180.0°179.7°
C22N2C23H23180.0°179.7°
C18C17C16H17180.0°180.0°
C18C17C16C150.1°0.3°
C18C17C16H16179.9°180.0°
C17C16C15H16180.0°179.7°
C16C17C18H18179.7°180.0°
C17C16C15H15180.0°179.7°
C15C16C17H17179.9°179.7°
C26C27C8H27180.0°179.8°
C26C27C8C7179.0°179.8°
C27C8C7C620.7°17.1°
C8C27C26H26179.5°179.8°
C27C8C7H7159.3°162.9°
C8C7C6H7180.0°180.0°
C8C7C6C1177.4°180.0°
C7C8C27H271.0°0.0°
C8C7C6H62.6°0.0°
C7C6C1H6180.0°180.0°
C7C6C1O127.8°5.3°
C7C6C1N1154.2°174.7°
C6C1O1N1178.0°180.0°
C6C1N1C52.2°5.2°
C6C1N1C2178.0°175.1°
C1C6C7H72.6°0.0°
O1C1N1C5175.8°174.8°
O1C1N1C24.1°4.9°
O1C1C6H6152.2°174.7°
C1N1C5C2179.9°179.8°
C1N1C5C4121.3°129.5°
C1N1C2C3115.9°129.5°
N1C1C6H625.8°5.3°
C1N1C5H5118.7°110.8°
C1N1C5H5A0.0°9.8°
C1N1C2H24.1°9.7°
C1N1C2H2A122.1°110.8°
N1C5C4H5120.0°119.7°
N1C5C4H5A121.3°119.7°
N1C5C4O251.7°52.3°
C5N1C2C364.0°50.3°
N1C5H5H5A121.3°120.6°
N1C5C4H4171.6°172.2°
N1C5C4H4A67.9°67.6°
C5N1C2H2176.0°170.0°
C5N1C2H2A58.0°69.4°
C2N1C5C458.6°50.3°
N1C2C3O262.1°52.1°
N1C2C3H2120.0°119.8°
N1C2C3H2A122.0°119.8°
C2N1C5H561.4°69.4°
C2N1C5H5A179.9°170.0°
N1C2C3H3177.9°172.0°
N1C2C3H3A58.6°67.8°
N1C2H2H2A122.2°120.5°
C5C4O2H4120.0°119.9°
C5C4O2H4A119.5°120.0°
C5C4O2C358.6°62.6°
C4C5H5H5A121.4°120.5°
C5C4H4H4A119.5°120.1°
C4O2C3C263.8°62.5°
O2C4C5H568.3°67.4°
O2C4C5H5A172.9°172.0°
O2C4H4H4A119.5°120.1°
C4O2C3H3176.2°177.5°
C4O2C3H3A56.9°57.3°
O2C3C2H3120.0°120.0°
O2C3C2H3A120.7°119.9°
C3O2C4H4178.6°177.5°
C3O2C4H4A60.9°57.3°
O2C3H3H3A120.7°120.1°
O2C3C2H2177.9°171.9°
O2C3C2H2A59.9°67.7°
C2C3H3H3A120.7°120.0°
C3C2H2H2A122.1°120.3°
H25C25C24H240.2°0.1°
H24C24C23H230.1°0.0°
H18C18C17H170.3°0.1°
H17C17C16H160.1°0.0°
H16C16C15H150.1°0.1°
H26C26C27H270.4°0.1°
H7C7C6H6177.4°180.0°
H5C5C4H451.6°52.5°
H5C5C4H4A172.1°172.7°
H5AC5C4H467.1°68.1°
H5AC5C4H4A53.4°52.1°
H3C3C2H257.9°68.1°
H3C3C2H2A60.2°52.3°
H3AC3C2H261.4°52.0°
H3AC3C2H2A179.4°172.4°

221716

PDB entries from 2024-06-26

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