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A1I41

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F23C22sing1.35Å1.35Å
C24C22doub1.38Å1.37ÅAromatic
C24C25sing1.39Å1.39ÅAromatic
C22C21sing1.39Å1.36ÅAromatic
S26C25sing1.76Å1.77Å
S26C27sing1.81Å1.79Å
C25C19doub1.40Å1.41ÅAromatic
C21C20doub1.38Å1.38ÅAromatic
C7C8sing1.53Å1.51Å
C7C6sing1.53Å1.52Å
C19C20sing1.39Å1.39ÅAromatic
C19C18sing1.48Å1.49Å
C28C18doub1.40Å1.39ÅAromatic
C28C29sing1.38Å1.38ÅAromatic
C18C17sing1.40Å1.39ÅAromatic
C29C11doub1.40Å1.39ÅAromatic
C8C9sing1.53Å1.49Å
C6C5sing1.53Å1.53Å
C17C12doub1.37Å1.39ÅAromatic
C11C2sing1.48Å1.49Å
C11C12sing1.40Å1.40ÅAromatic
O1C2doub1.22Å1.23Å
C2N3sing1.35Å1.34Å
C12S13sing1.76Å1.76Å
C9C10sing1.53Å1.52Å
C15S13sing1.81Å1.75Å
C5C10sing1.53Å1.53Å
C5C4sing1.53Å1.52Å
N3C4sing1.46Å1.45Å
S13O16doub1.42Å1.44Å
S13O14doub1.42Å1.44Å
C6H1sing1.09Å1.10Å
C6H2sing1.09Å1.10Å
C9H3sing1.09Å1.10Å
C9H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C15H6sing1.09Å1.10Å
C15H7sing1.09Å1.10Å
C21H8sing1.08Å1.08Å
C27H9sing1.09Å1.10Å
C27H10sing1.09Å1.10Å
C27H11sing1.09Å1.10Å
C29H12sing1.08Å1.08Å
N3H13sing0.97Å1.00Å
C4H14sing1.09Å1.10Å
C4H15sing1.09Å1.10Å
C5H16sing1.09Å1.10Å
C7H17sing1.09Å1.10Å
C7H18sing1.09Å1.10Å
C8H19sing1.09Å1.10Å
C8H20sing1.09Å1.10Å
C10H21sing1.09Å1.10Å
C10H22sing1.09Å1.10Å
C17H23sing1.08Å1.08Å
C20H24sing1.08Å1.08Å
C24H25sing1.08Å1.08Å
C28H26sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F23C22C24117.8°119.8°
F23C22C21118.6°119.8°
C22C24C25118.0°120.0°
C24C22C21123.6°120.3°
C22C24H25121.0°120.0°
C24C25S26120.7°120.1°
C24C25C19120.5°119.7°
C25C24H25121.0°120.0°
C22C21C20118.3°120.3°
C22C21H8120.8°119.8°
C25S26C27103.5°103.0°
S26C25C19118.8°120.2°
S26C27H9109.5°109.5°
S26C27H10109.5°109.5°
S26C27H11109.5°109.4°
C25C19C20118.3°119.7°
C25C19C18125.1°120.1°
C21C20C19121.3°120.0°
C20C21H8120.8°119.9°
C21C20H24119.4°120.0°
C8C7C6111.4°109.5°
C7C8C9109.6°109.5°
C8C7H17109.0°109.5°
C8C7H18109.0°109.5°
C7C8H19109.5°109.4°
C7C8H20109.4°109.5°
C7C6C5112.2°109.5°
C7C6H1108.8°109.4°
C7C6H2108.8°109.5°
C6C7H17109.0°109.5°
C6C7H18109.0°109.4°
C20C19C18116.6°120.1°
C19C20H24119.4°120.0°
C19C18C28121.4°120.0°
C19C18C17120.3°119.9°
C18C28C29121.3°119.9°
C28C18C17118.4°120.1°
C18C28H26119.4°120.0°
C28C29C11120.9°119.9°
C28C29H12119.6°120.1°
C29C28H26119.4°120.1°
C18C17C12120.5°120.1°
C18C17H23119.7°120.0°
C29C11C2117.9°120.1°
C29C11C12118.0°119.9°
C11C29H12119.6°120.0°
C8C9C10110.9°109.5°
C8C9H3109.1°109.5°
C8C9H4109.1°109.5°
C9C8H19109.4°109.5°
C9C8H20109.4°109.5°
C6C5C10110.0°109.5°
C6C5C4112.0°109.5°
C5C6H1108.8°109.5°
C5C6H2108.8°109.5°
C6C5H16108.2°109.5°
C17C12C11121.1°120.1°
C17C12S13115.6°119.9°
C12C17H23119.8°119.9°
C2C11C12124.1°120.0°
C11C2O1121.3°120.0°
C11C2N3116.1°120.0°
C11C12S13123.3°120.0°
O1C2N3122.6°120.0°
C2N3C4122.1°120.0°
C2N3H13118.9°120.1°
C12S13C15103.0°104.5°
C12S13O16108.0°104.3°
C12S13O14108.9°104.3°
C9C10C5112.7°109.5°
C10C9H3109.1°109.5°
C10C9H4109.1°109.5°
C9C10H21108.6°109.5°
C9C10H22108.6°109.5°
C15S13O16109.0°110.6°
C15S13O14108.7°110.5°
S13C15H5109.5°109.5°
S13C15H6109.5°109.5°
S13C15H7109.5°109.4°
C10C5C4110.2°109.4°
C10C5H16108.1°109.4°
C5C10H21108.6°109.5°
C5C10H22108.7°109.5°
C5C4N3113.9°109.5°
C5C4H14108.3°109.5°
C5C4H15108.3°109.5°
C4C5H16108.3°109.5°
C4N3H13118.9°120.0°
N3C4H14108.4°109.5°
N3C4H15108.3°109.4°
O16S13O14118.3°121.0°
H1C6H2109.5°109.5°
H3C9H4109.4°109.5°
H5C15H6109.5°109.5°
H5C15H7109.4°109.5°
H6C15H7109.5°109.5°
H9C27H10109.5°109.6°
H9C27H11109.4°109.4°
H10C27H11109.5°109.4°
H14C4H15109.5°109.4°
H17C7H18109.5°109.5°
H19C8H20109.5°109.5°
H21C10H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F23C22C24C21179.2°179.9°
F23C22C24C25179.0°180.0°
F23C22C21C20178.9°180.0°
F23C22C21H81.0°0.2°
F23C22C24H251.0°0.0°
C22C24C25H25180.0°180.0°
C22C24C25S26176.8°180.0°
C22C24C25C190.3°0.2°
C24C22C21C200.2°0.0°
C24C22C21H8179.8°179.7°
C25C24C22C210.2°0.1°
C24C25S26C19177.1°179.8°
C24C25S26C2732.5°0.0°
C24C25C19C200.6°0.5°
C24C25C19C18176.4°180.0°
C22C21C20H8180.0°179.8°
C22C21C20C190.2°0.3°
C22C21C20H24179.8°179.8°
C21C22C24H25179.8°180.0°
S26C25C19C20176.5°179.7°
S26C25C19C186.5°0.3°
C25S26C27H9180.0°60.1°
C25S26C27H1060.0°60.0°
C25S26C27H1160.0°180.0°
S26C25C24H253.2°0.0°
C27S26C25C19150.4°179.7°
S26C27H9H10120.0°120.1°
S26C27H9H11120.0°119.9°
S26C27H10H11120.0°120.0°
C25C19C20C210.6°0.5°
C25C19C20C18177.3°179.5°
C25C19C18C28132.9°49.5°
C25C19C18C1748.8°130.5°
C25C19C20H24179.4°179.5°
C19C25C24H25179.7°179.8°
C21C20C19H24180.0°179.9°
C21C20C19C18176.7°180.0°
C8C7C6H17120.3°120.0°
C8C7C6H18120.3°120.0°
C7C8C9H19120.0°120.0°
C7C8C9H20120.0°120.0°
C8C7C6C556.1°60.0°
C7C8C9C1058.6°60.0°
C8C7C6H1176.5°60.0°
C8C7C6H264.4°180.0°
C7C8C9H3178.8°180.0°
C7C8C9H461.6°60.0°
C8C7H17H18119.1°120.0°
C7C8H19H20120.0°120.0°
C6C7C8C958.8°60.0°
C7C6C5H1120.4°120.0°
C7C6C5H2120.4°120.0°
C7C6C5C1051.5°60.0°
C7C6C5C4174.4°180.0°
C7C6H1H2118.8°120.0°
C7C6C5H1666.4°60.0°
C6C7H17H18119.2°120.0°
C6C7C8H1961.2°180.0°
C6C7C8H20178.8°60.1°
C20C19C18C2850.0°130.0°
C20C19C18C17128.2°50.1°
C19C20C21H8179.8°180.0°
C19C18C28C17178.3°179.9°
C19C18C28C29178.5°179.7°
C19C18C17C12178.6°180.0°
C19C18C17H231.4°0.1°
C18C19C20H243.3°0.1°
C19C18C28H261.6°0.0°
C18C28C29H26180.0°179.7°
C18C28C29C110.3°0.2°
C28C18C17C120.3°0.1°
C18C28C29H12179.7°179.7°
C28C18C17H23179.7°180.0°
C29C28C18C170.2°0.2°
C28C29C11H12180.0°180.0°
C28C29C11C2177.6°180.0°
C28C29C11C120.7°0.1°
C18C17C12H23180.0°179.9°
C18C17C12C110.1°0.4°
C18C17C12S13178.9°180.0°
C17C18C28H26179.9°179.9°
C29C11C12C170.6°0.4°
C29C11C2C12178.2°179.9°
C29C11C2O1114.3°174.0°
C29C11C2N363.7°6.3°
C29C11C12S13179.4°180.0°
C11C29C28H26179.6°179.9°
C8C9C10H3120.2°120.0°
C8C9C10H4120.2°120.1°
C8C9C10C556.5°60.0°
C8C9H3H4119.4°120.0°
C9C8C7H1761.5°179.9°
C9C8C7H18179.1°60.0°
C9C8H19H20119.9°120.1°
C8C9C10H2164.0°59.9°
C8C9C10H22177.0°180.0°
C6C5C10C951.9°60.0°
C6C5C10C4123.9°120.0°
C6C5C10H16117.9°120.0°
C6C5C4H16119.2°120.0°
C6C5C4N360.7°174.9°
C5C6H1H2118.8°120.0°
C6C5C4H1459.9°64.9°
C6C5C4H15178.6°55.0°
C5C6C7H1764.2°180.0°
C5C6C7H18176.3°60.0°
C6C5C10H2168.6°60.0°
C6C5C10H22172.4°180.0°
C17C12C11C2177.7°179.7°
C17C12C11S13178.8°179.6°
C17C12S13C1592.3°113.1°
C17C12S13O1622.9°130.7°
C17C12S13O14152.5°2.9°
C11C2O1N3177.8°179.7°
C2C11C12S131.1°0.0°
C11C2N3C4179.3°179.8°
C2C11C29H122.3°0.0°
C11C2N3H130.7°0.3°
C12C11C2O163.9°6.0°
C12C11C2N3118.1°173.7°
C11C12S13C1586.5°66.5°
C11C12S13O16158.3°49.6°
C11C12S13O1428.7°177.4°
C12C11C29H12179.3°180.0°
C11C12C17H23179.9°179.7°
O1C2N3C42.8°0.1°
O1C2N3H13177.2°180.0°
C2N3C4C5106.1°180.0°
C2N3C4H13180.0°179.9°
C2N3C4H1414.6°59.9°
C2N3C4H15133.2°60.0°
C12S13C15O16114.5°111.7°
C12S13C15O14115.4°111.7°
C12S13O16O14124.1°116.8°
C12S13C15H5180.0°68.6°
C12S13C15H660.0°171.4°
C12S13C15H760.0°51.5°
S13C12C17H231.0°0.1°
C9C10C5H21120.5°120.0°
C9C10C5H22120.5°120.0°
C9C10C5C4175.8°180.0°
C10C9H3H4119.3°120.0°
C9C10C5H1666.0°60.0°
C10C9C8H1961.4°180.0°
C10C9C8H20178.6°60.0°
C9C10H21H22118.5°120.0°
C15S13O16O14124.7°131.4°
S13C15H5H6120.0°120.0°
S13C15H5H7120.0°120.0°
S13C15H6H7120.0°119.9°
C10C5C4H16118.1°119.9°
C10C5C4N3176.5°65.0°
C10C5C6H1172.0°60.0°
C10C5C6H268.9°180.0°
C5C10C9H3176.7°180.0°
C5C10C9H463.8°60.0°
C10C5C4H1462.8°55.1°
C10C5C4H1555.9°175.0°
C5C10H21H22118.5°120.0°
C5C4N3H14120.7°120.1°
C5C4N3H15120.7°120.0°
C4C5C6H165.2°60.0°
C4C5C6H254.0°60.0°
C5C4N3H1373.9°0.1°
C5C4H14H15117.9°120.0°
C4C5C10H2155.3°60.0°
C4C5C10H2263.7°60.0°
N3C4H14H15118.0°120.0°
N3C4C5H1658.4°54.9°
O16S13C15H565.5°179.8°
O16S13C15H654.5°59.7°
O16S13C15H7174.5°60.2°
O14S13C15H564.6°43.1°
O14S13C15H6175.4°76.9°
O14S13C15H755.4°163.1°
H1C6C5H1654.1°179.9°
H1C6C7H1756.2°60.0°
H1C6C7H1863.3°180.0°
H2C6C5H16173.2°60.0°
H2C6C7H17175.4°59.9°
H2C6C7H1855.9°60.0°
H3C9C8H1958.8°60.0°
H3C9C8H2061.2°60.0°
H3C9C10H2156.2°60.0°
H3C9C10H2262.8°60.0°
H4C9C8H19178.4°60.0°
H4C9C8H2058.4°180.0°
H4C9C10H21175.8°180.0°
H4C9C10H2256.7°59.9°
H5C15H6H7120.0°120.0°
H8C21C20H240.2°0.0°
H9C27H10H11120.0°120.0°
H12C29C28H260.3°0.0°
H13N3C4H14165.4°120.0°
H13N3C4H1546.8°120.0°
H14C4C5H16179.1°175.0°
H15C4C5H1662.2°65.1°
H16C5C10H21173.5°180.0°
H16C5C10H2254.5°60.0°
H17C7C8H19178.5°60.0°
H17C7C8H2058.5°60.0°
H18C7C8H1959.1°60.0°
H18C7C8H2060.9°180.0°

251174

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