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A1CTV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F2C7sing1.40Å1.33Å
F1C7sing1.40Å1.33Å
C6C7sing1.53Å1.50Å
C6N3sing1.46Å1.45Å
C7Fsing1.40Å1.32Å
N4N3sing1.40Å1.37ÅAromatic
N4C8doub1.30Å1.32ÅAromatic
N3C5sing1.37Å1.36ÅAromatic
C8C4sing1.41Å1.42ÅAromatic
C5C4doub1.41Å1.41ÅAromatic
C5C9sing1.39Å1.39ÅAromatic
C4C3sing1.40Å1.40ÅAromatic
C9C2doub1.39Å1.39ÅAromatic
C3N2doub1.31Å1.34ÅAromatic
C2N2sing1.33Å1.34ÅAromatic
C2C1sing1.48Å1.47Å
N1C1sing1.37Å1.34ÅAromatic
N1Nsing1.40Å1.35ÅAromatic
C1C10doub1.38Å1.42ÅAromatic
NCdoub1.31Å1.34ÅAromatic
C10Csing1.40Å1.37ÅAromatic
C10N5sing1.40Å1.41Å
N5C11sing1.35Å1.38Å
C14C12sing1.53Å1.50Å
C14C13sing1.53Å1.50Å
F5C17sing1.40Å1.33Å
C15C12sing1.53Å1.53Å
C15C16sing1.53Å1.53Å
C12C13sing1.53Å1.50Å
C12N6sing1.47Å1.47Å
F4C17sing1.40Å1.33Å
C11N6sing1.35Å1.37Å
C11O1doub1.22Å1.22Å
C17C16sing1.53Å1.52Å
C17F3sing1.40Å1.33Å
N6C19sing1.47Å1.46Å
C16Osing1.43Å1.43Å
C16C18sing1.53Å1.53Å
C18C19sing1.53Å1.52Å
N1H1sing0.97Å1.00Å
C8H2sing1.08Å1.08Å
C9H3sing1.08Å1.08Å
C6H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C3H6sing1.08Å1.08Å
CH7sing1.08Å1.08Å
OH8sing0.97Å0.95Å
C13H9sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
C14H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
N5H19sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F2C7F1107.2°109.5°
F2C7C6111.6°109.5°
F2C7F106.8°109.5°
F1C7C6112.1°109.5°
F1C7F106.2°109.5°
C7C6N3111.5°109.5°
C6C7F112.6°109.4°
C7C6H4109.0°109.5°
C7C6H5109.0°109.5°
C6N3N4118.9°125.9°
C6N3C5129.6°126.0°
N3C6H4109.0°109.5°
N3C6H5108.9°109.5°
N3N4C8105.7°109.8°
N4N3C5111.5°108.1°
N4C8C4111.9°108.6°
N4C8H2124.0°125.7°
N3C5C4106.9°106.7°
N3C5C9131.4°134.8°
C8C4C5104.0°106.8°
C8C4C3142.2°134.3°
C4C8H2124.0°125.7°
C4C5C9121.7°118.6°
C5C4C3113.8°118.9°
C5C9C2118.3°118.7°
C5C9H3120.8°120.7°
C4C3N2126.5°120.5°
C4C3H6116.7°119.8°
C9C2N2122.5°121.2°
C9C2C1120.9°119.4°
C2C9H3120.9°120.6°
C3N2C2117.3°122.2°
N2C3H6116.8°119.7°
N2C2C1116.6°119.4°
C2C1N1119.3°126.5°
C2C1C10131.7°126.5°
C1N1N105.4°107.8°
N1C1C10109.0°107.0°
C1N1H1127.3°126.1°
N1NC113.3°108.9°
NN1H1127.3°126.1°
C1C10C106.6°107.6°
C1C10N5123.9°126.2°
NCC10105.7°108.7°
NCH7127.1°125.7°
CC10N5129.4°126.2°
C10CH7127.2°125.6°
C10N5C11126.1°120.0°
C10N5H19116.9°120.0°
N5C11N6114.7°120.1°
N5C11O1122.4°120.0°
C11N5H19117.0°119.9°
C12C14C1359.8°59.9°
C14C12C15127.6°118.1°
C14C12C1360.3°60.2°
C14C12N6120.0°117.9°
C12C14H11120.0°117.6°
C12C14H12120.0°117.5°
C14C13C1259.9°59.9°
C14C13H9120.0°117.5°
C14C13H10120.0°117.5°
C13C14H11120.0°117.5°
C13C14H12120.0°117.5°
F5C17F4107.2°109.5°
F5C17C16111.8°109.5°
F5C17F3107.2°109.4°
C12C15C16116.2°108.6°
C15C12C13123.7°118.0°
C15C12N6102.7°114.4°
C12C15H13107.8°109.6°
C12C15H14107.8°109.6°
C15C16C17109.6°109.5°
C15C16O109.5°109.5°
C15C16C18112.3°109.5°
C16C15H13107.8°109.6°
C16C15H14107.8°109.6°
C13C12N6119.3°117.8°
C12C13H9120.0°117.5°
C12C13H10120.0°117.5°
C12N6C11124.1°121.2°
C12N6C19111.5°117.7°
F4C17C16112.0°109.5°
F4C17F3106.4°109.5°
N6C11O1122.7°120.0°
C11N6C19123.3°121.1°
C16C17F3111.9°109.5°
C17C16O107.4°109.5°
C17C16C18109.6°109.4°
N6C19C18108.5°108.7°
N6C19H17109.7°109.6°
N6C19H18109.7°109.8°
OC16C18108.4°109.4°
C16OH8109.5°114.0°
C16C18C19113.7°109.8°
C16C18H15108.4°109.4°
C16C18H16108.4°109.4°
C19C18H15108.4°109.4°
C19C18H16108.4°109.4°
C18C19H17109.7°109.6°
C18C19H18109.7°109.6°
H4C6H5109.4°109.5°
H9C13H10109.5°115.6°
H11C14H12109.5°115.5°
H13C15H14109.4°109.8°
H15C18H16109.5°109.4°
H17C19H18109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F2C7F1C6122.8°120.0°
F2C7F1F113.8°120.0°
F2C7C6F120.1°120.0°
F2C7C6N374.1°60.0°
F2C7C6H446.3°60.0°
F2C7C6H5165.6°180.0°
F1C7C6F119.7°120.0°
F1C7C6N3165.7°180.0°
F1C7C6H474.0°60.0°
F1C7C6H545.3°60.0°
C7C6N3H4120.3°120.0°
C7C6N3H5120.3°120.0°
C7C6N3N497.3°90.5°
C7C6N3C579.5°90.0°
C7C6H4H5119.1°120.0°
N3C6C7F46.0°60.0°
C6N3N4C5177.3°179.6°
C6N3N4C8177.2°179.8°
C6N3C5C4176.4°180.0°
C6N3C5C92.3°0.5°
N3C6H4H5119.0°120.0°
FC7C6H4166.3°180.0°
FC7C6H574.3°60.0°
N3N4C8C40.3°0.0°
N4N3C5C40.5°0.4°
N4N3C5C9179.2°179.9°
N3N4C8H2179.7°179.7°
N4N3C6H423.0°149.5°
N4N3C6H5142.4°29.5°
C8N4N3C50.2°0.2°
N4C8C4H2180.0°179.7°
N4C8C4C50.6°0.3°
N4C8C4C3178.0°179.7°
N3C5C4C80.6°0.4°
N3C5C4C9178.9°179.6°
N3C5C4C3178.4°179.5°
N3C5C9C2177.9°179.4°
N3C5C9H32.1°0.5°
C5N3C6H4160.2°30.0°
C5N3C6H540.8°150.0°
C8C4C5C3179.0°179.9°
C8C4C5C9179.5°180.0°
C8C4C3N2178.4°180.0°
C8C4C3H61.6°0.1°
C4C5C9C20.7°0.1°
C5C4C3N20.1°0.1°
C5C4C8H2179.4°180.0°
C4C5C9H3179.3°180.0°
C5C4C3H6180.0°180.0°
C9C5C4C30.5°0.1°
C5C9C2H3180.0°179.9°
C5C9C2N20.4°0.0°
C5C9C2C1179.0°179.9°
C4C3N2H6180.0°180.0°
C4C3N2C20.4°0.0°
C3C4C8H22.0°0.0°
C9C2N2C30.2°0.0°
C9C2N2C1178.7°179.9°
C9C2C1N15.8°25.0°
C9C2C1C10177.2°155.0°
C3N2C2C1178.5°180.0°
N2C2C1N1173.0°155.0°
N2C2C1C104.0°25.1°
N2C2C9H3179.6°179.9°
C2N2C3H6179.6°180.0°
C2C1N1C10177.6°180.0°
C2C1N1N177.8°180.0°
C2C1C10C177.0°180.0°
C2C1C10N53.1°0.0°
C2C1N1H12.1°0.3°
C1C2C9H31.0°0.0°
C1N1NH1180.0°179.7°
C1N1NC0.6°0.0°
N1C1C10C0.3°0.0°
N1C1C10N5179.7°180.0°
NN1C1C100.2°0.0°
N1NCC100.8°0.0°
N1NCH7179.2°180.0°
C1C10CN0.6°0.0°
C1C10CN5180.0°180.0°
C1C10N5C11167.1°180.0°
C10C1N1H1179.8°179.7°
C1C10CH7179.4°180.0°
C1C10N5H1912.9°0.0°
NCC10H7180.0°180.0°
NCC10N5179.3°180.0°
CNN1H1179.3°179.7°
CC10N5C1112.8°0.0°
CC10N5H19167.2°180.0°
C10N5C11H19180.0°180.0°
C10N5C11N6179.5°174.9°
C10N5C11O14.6°5.1°
N5C10CH70.6°0.0°
N5C11N6C1213.4°174.0°
N5C11N6O1174.9°180.0°
N5C11N6C19153.3°6.1°
C12C14C13H11109.4°107.5°
C12C14C13H12109.4°107.5°
C14C12C15C1376.2°69.3°
C14C12C15N6145.1°145.5°
C14C12C15C16159.4°166.2°
C14C12C13N6109.9°107.9°
C14C12N6C1150.7°12.3°
C14C12N6C19141.2°167.8°
C12C14C13H9109.4°107.4°
C12C14C13H10109.5°107.4°
C12C14H11H12144.8°145.8°
C14C12C15H1338.4°46.5°
C14C12C15H1479.7°74.1°
C14C13H9H10144.8°145.8°
C13C14H11H12144.8°145.6°
F5C17C16C1559.0°60.0°
F5C17F4C16122.9°120.0°
F5C17F4F3114.4°120.0°
F5C17C16F3120.3°120.0°
F5C17C16O59.9°60.0°
F5C17C16C18177.4°180.0°
C12C15C16H13121.0°119.7°
C12C15C16H14121.0°119.8°
C15C12C13N6132.5°144.0°
C15C12N6C1197.7°133.3°
C12C15C16C17163.8°177.6°
C15C12N6C1970.4°46.7°
C12C15C16O78.6°62.4°
C12C15C16C1841.8°57.6°
C15C12C13H9132.9°0.6°
C15C12C13H108.2°144.5°
C15C12C14H11139.1°144.6°
C15C12C14H122.1°0.5°
C12C15H13H14116.9°120.5°
C16C15C12C1383.2°96.9°
C16C15C12N655.6°48.4°
C15C16C17F461.2°180.0°
C15C16C17O118.9°120.0°
C15C16C17C18123.6°120.0°
C15C16C17F3179.4°59.9°
C15C16OC18122.8°120.0°
C15C16C18C1937.1°64.3°
C15C16OH8180.0°180.0°
C16C15H13H14117.0°120.4°
C15C16C18H15157.7°175.6°
C15C16C18H1683.5°55.8°
C13C12N6C11121.2°81.4°
C13C12N6C1970.7°98.6°
C12C13H9H10144.8°145.7°
C13C12C15H1337.8°22.8°
C13C12C15H14155.8°143.3°
C12N6C11C19166.7°180.0°
C12N6C11O1171.8°6.1°
C12N6C19C1870.2°49.8°
N6C12C13H90.4°144.6°
N6C12C13H10140.7°0.5°
N6C12C14H110.8°0.3°
N6C12C14H12141.9°144.8°
N6C12C15H13176.6°168.0°
N6C12C15H1465.4°71.4°
C12N6C19H17169.9°70.0°
C12N6C19H1849.6°169.7°
F4C17C16F3119.4°120.0°
F4C17C16O179.8°60.0°
F4C17C16C1862.3°59.9°
C11N6C19C1898.0°130.2°
C11N6C19H1721.9°110.1°
C11N6C19H18142.2°10.3°
N6C11N5H190.5°5.1°
O1C11N6C1921.5°173.9°
O1C11N5H19175.4°174.9°
C17C16OC18118.3°120.0°
C17C16C18C19159.1°175.7°
C17C16OH861.1°60.0°
C17C16C15H1375.3°62.7°
C17C16C15H1442.8°57.8°
C17C16C18H1580.3°55.6°
C17C16C18H1638.5°64.2°
F3C17C16O60.4°180.0°
F3C17C16C1857.0°60.1°
N6C19C18C1650.0°57.6°
N6C19C18H17119.8°119.7°
N6C19C18H18119.8°120.0°
N6C19C18H15170.6°177.7°
N6C19C18H1670.6°62.5°
N6C19H17H18120.4°120.5°
OC16C18C1984.0°55.8°
OC16C15H1342.3°57.3°
OC16C15H14160.4°177.8°
OC16C18H1536.6°64.3°
OC16C18H16155.4°175.8°
C16C18C19H15120.6°120.1°
C16C18C19H16120.6°120.1°
C18C16OH857.2°59.9°
C18C16C15H13162.8°177.3°
C18C16C15H1479.2°62.2°
C16C18H15H16118.1°119.9°
C16C18C19H17169.8°62.1°
C16C18C19H1869.8°177.6°
C19C18H15H16118.1°119.8°
C18C19H17H18120.5°120.4°
H9C13C14H110.0°145.1°
H9C13C14H12141.2°0.1°
H10C13C14H11141.1°0.1°
H10C13C14H120.1°145.1°
H15C18C19H1769.5°57.9°
H15C18C19H1850.8°62.4°
H16C18C19H1749.2°177.8°
H16C18C19H18169.6°57.5°

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