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OU5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F28C26sing1.35Å1.34Å
C25C26doub1.39Å1.39ÅAromatic
C25C24sing1.39Å1.39ÅAromatic
F29C24sing1.35Å1.34Å
C26C27sing1.38Å1.39ÅAromatic
C24C23doub1.38Å1.39ÅAromatic
C27C22doub1.39Å1.39ÅAromatic
C23C22sing1.39Å1.39ÅAromatic
C22N18sing1.40Å1.41Å
N18C19sing1.47Å1.48Å
N18C17sing1.47Å1.48Å
C30C19sing1.53Å1.53Å
C19C20sing1.53Å1.53Å
C17C16sing1.53Å1.53Å
C20N15sing1.47Å1.46Å
C16N15sing1.47Å1.46Å
N15C14sing1.35Å1.33Å
C14C1sing1.51Å1.51Å
C14O21doub1.21Å1.22Å
C1C2sing1.53Å1.53Å
N5C6sing1.34Å1.35Å
N5C4sing1.35Å1.33Å
O9C6doub1.22Å1.28Å
C6N7sing1.35Å1.35Å
O8C4doub1.21Å1.29Å
C2C3sing1.53Å1.53Å
C4C3sing1.52Å1.49Å
N7C3sing1.47Å1.46Å
C3C11sing1.53Å1.52Å
C11C13sing1.53Å1.52Å
C11C12sing1.53Å1.52Å
C13C12sing1.53Å1.52Å
C2H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C19H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C13H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C16H7sing1.09Å1.10Å
C16H8sing1.09Å1.10Å
C1H9sing1.09Å1.10Å
C1H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C17H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C23H17sing1.08Å1.08Å
C25H18sing1.08Å1.08Å
C27H19sing1.08Å1.08Å
C30H20sing1.09Å1.10Å
C30H21sing1.09Å1.10Å
C30H22sing1.09Å1.10Å
N5H23sing0.97Å1.00Å
N7H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F28C26C25120.0°120.0°
F28C26C27120.0°120.0°
C26C25C24119.9°120.1°
C25C26C27120.0°120.0°
C26C25H18120.1°120.0°
C25C24F29119.7°119.9°
C25C24C23120.1°120.0°
C24C25H18120.1°120.0°
F29C24C23120.2°120.0°
C26C27C22120.3°120.0°
C26C27H19119.9°120.0°
C24C23C22120.1°120.0°
C24C23H17120.0°120.1°
C27C22C23119.6°119.9°
C27C22N18119.3°120.0°
C22C27H19119.9°120.0°
C23C22N18121.1°120.1°
C22C23H17119.9°120.0°
C22N18C19110.4°110.9°
C22N18C17112.0°111.0°
C19N18C17109.1°111.3°
N18C19C30111.2°109.5°
N18C19C20108.1°109.3°
N18C19H3109.0°109.5°
N18C17C16108.9°109.3°
N18C17H13109.6°109.5°
N18C17H14109.6°109.5°
C30C19C20111.7°109.5°
C30C19H3108.4°109.5°
C19C30H20109.5°109.4°
C19C30H21109.5°109.5°
C19C30H22109.5°109.4°
C19C20N15106.8°108.5°
C20C19H3108.4°109.5°
C19C20H15110.1°109.6°
C19C20H16110.1°109.6°
C17C16N15106.0°108.5°
C17C16H7110.3°109.6°
C17C16H8110.3°109.8°
C16C17H13109.6°109.5°
C16C17H14109.6°109.5°
C20N15C16116.5°118.2°
C20N15C14121.6°120.9°
N15C20H15110.1°109.7°
N15C20H16110.1°109.7°
C16N15C14122.0°120.9°
N15C16H7110.3°109.6°
N15C16H8110.4°109.7°
N15C14C1116.5°120.0°
N15C14O21123.1°120.0°
C1C14O21120.4°120.0°
C14C1C2110.6°109.5°
C14C1H9109.2°109.5°
C14C1H10109.2°109.5°
C1C2C3112.8°109.5°
C1C2H1108.6°109.4°
C1C2H2108.6°109.4°
C2C1H9109.2°109.4°
C2C1H10109.2°109.4°
C6N5C4102.5°111.6°
N5C6O9120.7°123.7°
N5C6N7118.6°112.5°
C6N5H23128.7°124.2°
N5C4O8123.1°127.2°
N5C4C3113.4°105.7°
C4N5H23128.8°124.2°
O9C6N7120.8°123.8°
C6N7C3104.2°106.6°
C6N7H24127.9°126.7°
O8C4C3123.5°127.1°
C2C3C4111.5°110.6°
C2C3N7111.4°110.6°
C2C3C11111.0°110.5°
C3C2H1108.6°109.5°
C3C2H2108.6°109.5°
C4C3N7101.3°103.6°
C4C3C11110.0°110.6°
N7C3C11111.2°110.7°
C3N7H24127.9°126.7°
C3C11C13111.9°117.5°
C3C11C12110.1°117.5°
C3C11H6120.1°115.6°
C13C11C1260.0°60.0°
C11C13C1259.9°60.0°
C11C13H4120.0°117.5°
C11C13H5120.0°117.5°
C13C11H6120.2°117.5°
C11C12C1360.0°60.0°
C12C11H6120.2°117.5°
C11C12H11120.0°117.5°
C11C12H12120.0°117.5°
C12C13H4120.0°117.5°
C12C13H5120.0°117.5°
C13C12H11120.0°117.4°
C13C12H12120.0°117.5°
H1C2H2109.5°109.5°
H4C13H5109.5°115.5°
H7C16H8109.5°109.6°
H9C1H10109.5°109.5°
H11C12H12109.5°115.6°
H13C17H14109.5°109.5°
H15C20H16109.5°109.8°
H20C30H21109.5°109.5°
H20C30H22109.5°109.5°
H21C30H22109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F28C26C25C27179.9°179.8°
F28C26C25C24180.0°180.0°
F28C26C27C22180.0°179.7°
F28C26C25H180.0°0.2°
F28C26C27H190.0°0.3°
C26C25C24H18180.0°179.8°
C26C25C24F29180.0°180.0°
C26C25C24C230.1°0.0°
C25C26C27C220.0°0.6°
C25C26C27H19180.0°180.0°
C25C24F29C23180.0°180.0°
C24C25C26C270.1°0.3°
C25C24C23C220.0°0.0°
C25C24C23H17180.0°180.0°
F29C24C23C22179.9°179.9°
F29C24C23H170.1°0.0°
F29C24C25H180.0°0.2°
C26C27C22H19180.0°179.4°
C26C27C22C230.1°0.6°
C26C27C22N18180.0°179.8°
C27C26C25H18179.9°179.9°
C24C23C22C270.1°0.3°
C24C23C22H17180.0°179.9°
C24C23C22N18180.0°180.0°
C23C24C25H18180.0°179.8°
C27C22C23N18179.9°179.6°
C27C22N18C1952.4°123.0°
C27C22N18C17174.2°1.3°
C27C22C23H17179.9°179.7°
C23C22N18C19127.7°57.4°
C23C22N18C175.9°178.3°
C23C22C27H19179.9°180.0°
C22N18C19C17123.5°124.1°
C22N18C19C3065.2°67.3°
C22N18C19C20171.8°172.8°
C22N18C17C16172.3°172.8°
C22N18C19H354.2°52.8°
C22N18C17H1367.8°52.8°
C22N18C17H1452.4°67.2°
N18C22C23H170.0°0.1°
N18C22C27H190.0°0.3°
N18C19C30C20120.9°119.8°
N18C19C30H3119.8°120.1°
N18C19C20H3118.0°120.0°
C19N18C17C1665.1°63.2°
N18C19C20N1558.3°53.8°
C19N18C17H1354.8°176.9°
C19N18C17H14174.9°56.9°
N18C19C20H1561.2°65.9°
N18C19C20H16177.9°173.5°
N18C19C30H20180.0°173.9°
N18C19C30H2160.0°53.9°
N18C19C30H2260.0°66.1°
C17N18C19C3058.3°56.8°
C17N18C19C2064.6°63.1°
N18C17C16H13119.9°119.9°
N18C17C16H14119.9°120.0°
N18C17C16N1558.3°53.9°
C17N18C19H3177.8°176.9°
N18C17C16H7177.7°173.5°
N18C17C16H861.2°66.0°
N18C17H13H14120.3°120.1°
C30C19C20H3119.4°120.1°
C30C19C20N1564.3°66.1°
C30C19C20H15176.1°174.1°
C30C19C20H1655.3°53.6°
C19C30H20H21120.0°120.0°
C19C30H20H22120.0°120.0°
C19C30H21H22120.0°120.0°
C19C20N15H15119.6°119.7°
C19C20N15H16119.6°119.6°
C19C20N15C1658.6°51.3°
C19C20N15C14121.2°128.8°
C19C20H15H16121.2°120.4°
C20C19C30H2059.2°66.3°
C20C19C30H21179.2°173.7°
C20C19C30H2260.9°53.7°
C17C16N15C2058.1°51.3°
C17C16N15H7119.4°119.6°
C17C16N15H8119.4°120.0°
C17C16N15C14121.7°128.8°
C17C16H7H8121.6°120.6°
C16C17H13H14120.2°120.1°
C20N15C16C14179.8°180.0°
C20N15C14C14.4°180.0°
C20N15C14O21176.0°0.3°
N15C20C19H3176.3°173.8°
C20N15C16H7177.5°170.9°
C20N15C16H861.4°68.7°
N15C20H15H16121.2°120.6°
C16N15C14C1175.9°0.0°
C16N15C14O213.8°179.8°
N15C16H7H8121.6°120.4°
N15C16C17H1361.6°173.8°
N15C16C17H14178.3°66.1°
C16N15C20H1561.0°68.5°
C16N15C20H16178.2°170.9°
N15C14C1O21179.7°179.7°
N15C14C1C2142.0°179.7°
C14N15C16H72.3°9.1°
C14N15C16H8118.9°111.2°
N15C14C1H921.8°59.8°
N15C14C1H1097.9°60.3°
C14N15C20H15119.2°111.5°
C14N15C20H161.6°9.1°
C14C1C2H9120.2°120.0°
C14C1C2H10120.2°120.0°
C14C1C2C379.4°180.0°
C14C1C2H1160.1°60.0°
C14C1C2H241.1°60.0°
C14C1H9H10119.5°120.1°
O21C14C1C237.7°0.0°
O21C14C1H9157.9°119.9°
O21C14C1H1082.5°120.0°
C1C2C3H1120.5°120.0°
C1C2C3H2120.5°120.0°
C1C2C3C446.4°62.2°
C1C2C3N766.0°52.0°
C1C2C3C11169.5°175.0°
C1C2H1H2118.5°120.0°
C2C1H9H10119.5°119.9°
C6N5C4H23180.0°179.9°
N5C6O9N7179.8°179.7°
C6N5C4O8180.0°179.9°
C6N5C4C30.0°0.0°
N5C6N7C30.1°0.0°
N5C6N7H24179.9°180.0°
C4N5C6O9179.9°179.8°
C4N5C6N70.1°0.0°
N5C4O8C3180.0°179.9°
N5C4C3C2118.5°118.5°
N5C4C3N70.1°0.0°
N5C4C3C11117.8°118.7°
O9C6N7C3179.9°179.7°
O9C6N5H230.1°0.4°
O9C6N7H240.1°0.2°
C6N7C3C2118.6°118.5°
C6N7C3C40.1°0.0°
C6N7C3H24180.0°180.0°
C6N7C3C11117.0°118.6°
N7C6N5H23179.9°179.9°
O8C4C3C261.5°61.4°
O8C4C3N7179.9°179.9°
O8C4C3C1162.2°61.4°
O8C4N5H230.0°0.2°
C2C3C4N7118.6°118.5°
C2C3C4C11123.6°122.8°
C2C3N7C11124.4°122.9°
C2C3C11C13171.2°180.0°
C2C3C11C12106.4°111.3°
C3C2H1H2118.5°120.0°
C2C3C11H639.7°34.3°
C3C2C1H940.8°60.0°
C3C2C1H10160.4°60.0°
C2C3N7H2461.4°61.4°
C4C3N7C11116.9°118.6°
C4C3C11C1364.8°57.2°
C4C3C11C12129.6°125.8°
C4C3C2H174.1°57.8°
C4C3C2H2166.9°177.9°
C4C3C11H684.2°88.5°
C3C4N5H23180.0°179.9°
C4C3N7H24179.9°180.0°
N7C3C11C1346.6°57.1°
N7C3C11C1218.2°11.6°
N7C3C2H1173.5°172.0°
N7C3C2H254.5°68.0°
N7C3C11H6164.3°157.2°
C3C11C13C12101.3°107.5°
C3C11C13H6149.0°145.0°
C3C11C12H6146.1°145.0°
C11C3C2H149.0°65.0°
C11C3C2H270.0°55.0°
C3C11C13H48.1°0.0°
C3C11C13H5149.2°145.0°
C3C11C12H11146.3°0.1°
C3C11C12H125.2°145.0°
C11C3N7H2463.0°61.4°
C13C11C12H6109.6°107.5°
C11C13C12H4109.4°107.4°
C11C13C12H5109.4°107.5°
C11C13H4H5144.7°145.6°
C13C11C12H11109.5°107.4°
C13C11C12H12109.5°107.5°
C11C12H11H12144.7°145.7°
C12C13H4H5144.8°145.8°
C13C12H11H12144.7°145.7°
H1C2C1H979.8°180.0°
H1C2C1H1039.9°60.0°
H2C2C1H9161.2°60.0°
H2C2C1H1079.1°180.0°
H3C19C20H1556.8°54.0°
H3C19C20H1664.1°66.5°
H3C19C30H2060.2°53.8°
H3C19C30H2159.8°66.3°
H3C19C30H22179.8°173.8°
H4C13C11H6140.9°145.0°
H4C13C12H11141.1°0.0°
H4C13C12H120.0°145.1°
H5C13C11H60.1°0.0°
H5C13C12H110.0°145.0°
H5C13C12H12141.1°0.0°
H6C11C12H110.1°145.1°
H6C11C12H12140.9°0.0°
H7C16C17H1357.8°66.6°
H7C16C17H1462.3°53.5°
H8C16C17H13178.9°53.9°
H8C16C17H1458.8°174.0°
H20C30H21H22120.0°120.1°

224931

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