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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F2C14sing1.40Å1.32Å
C14F1sing1.40Å1.32Å
C14F3sing1.40Å1.32Å
C14O1sing1.43Å1.33Å
C21N4sing1.47Å1.48Å
O1C11sing1.36Å1.42Å
C18N4sing1.47Å1.48Å
C18C17sing1.53Å1.52Å
N4C19sing1.47Å1.48Å
C19C20sing1.53Å1.52Å
C11C10doub1.39Å1.39ÅAromatic
C11C12sing1.39Å1.39ÅAromatic
C10C9sing1.38Å1.38ÅAromatic
C17C16sing1.53Å1.53Å
C16C20sing1.53Å1.53Å
C16C15sing1.53Å1.53Å
C12C13doub1.38Å1.38ÅAromatic
C9C8doub1.40Å1.39ÅAromatic
C15N3sing1.46Å1.46Å
C13C8sing1.40Å1.40ÅAromatic
C8C1sing1.48Å1.47Å
N3C7sing1.36Å1.35Å
S2C7sing1.77Å1.74Å
S2C5doub1.56Å1.74Å
C1N1doub1.30Å1.30ÅAromatic
C1S1sing1.76Å1.73ÅAromatic
C7N2doub1.31Å1.31Å
N1C3sing1.31Å1.37ÅAromatic
N2C6sing1.33Å1.36Å
S1C2sing1.76Å1.70ÅAromatic
C5C6sing1.40Å1.39Å
C5C4sing1.51Å1.41Å
C3C4sing1.51Å1.45Å
C3C2doub1.34Å1.36ÅAromatic
C6O2doub1.22Å1.23Å
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C9H3sing1.08Å1.08Å
C10H4sing1.08Å1.08Å
C12H5sing1.08Å1.08Å
C13H6sing1.08Å1.08Å
N3H7sing0.97Å1.00Å
C2H8sing1.08Å1.08Å
C15H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C20H19sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
S2H24sing1.34Å1.30Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F2C14F1107.3°109.5°
F2C14F3106.7°109.5°
F2C14O1109.7°109.5°
F1C14F3108.3°109.4°
F1C14O1112.5°109.5°
F3C14O1112.0°109.4°
C14O1C11119.8°117.0°
C21N4C18110.5°111.0°
C21N4C19110.5°111.0°
N4C21H21109.5°109.4°
N4C21H22109.5°109.5°
N4C21H23109.5°109.5°
O1C11C10119.0°119.9°
O1C11C12121.2°119.9°
N4C18C17112.0°109.5°
C18N4C19112.4°111.2°
N4C18H14108.8°109.4°
N4C18H15108.9°109.4°
C18C17C16111.3°109.3°
C18C17H12109.0°109.5°
C18C17H13109.0°109.5°
C17C18H14108.8°109.5°
C17C18H15108.8°109.5°
N4C19C20111.6°109.5°
N4C19H17108.9°109.4°
N4C19H18108.9°109.4°
C19C20C16110.6°109.3°
C20C19H17108.9°109.5°
C20C19H18108.9°109.5°
C19C20H19109.2°109.5°
C19C20H20109.2°109.5°
C10C11C12119.7°120.2°
C11C10C9119.8°120.1°
C11C10H4120.1°119.9°
C11C12C13119.9°120.0°
C11C12H5120.1°120.0°
C10C9C8121.5°119.9°
C10C9H3119.3°120.1°
C9C10H4120.1°120.0°
C17C16C20108.3°109.1°
C17C16C15112.4°109.5°
C17C16H11107.7°109.6°
C16C17H12109.0°109.6°
C16C17H13109.0°109.5°
C20C16C15112.8°109.5°
C20C16H11107.7°109.5°
C16C20H19109.2°109.5°
C16C20H20109.2°109.5°
C16C15N3113.7°109.5°
C16C15H9108.4°109.5°
C16C15H10108.4°109.5°
C15C16H11107.7°109.6°
C12C13C8121.2°119.9°
C13C12H5120.0°120.0°
C12C13H6119.4°120.0°
C9C8C13117.8°119.9°
C9C8C1120.4°120.0°
C8C9H3119.3°120.1°
C15N3C7124.5°120.0°
C15N3H7117.7°120.0°
N3C15H9108.4°109.5°
N3C15H10108.4°109.5°
C13C8C1121.8°120.1°
C8C13H6119.4°120.0°
C8C1N1123.3°125.4°
C8C1S1123.4°125.5°
N3C7S2122.0°127.7°
N3C7N2123.1°127.8°
C7N3H7117.8°120.0°
C7S2C588.2°97.4°
S2C7N2114.9°104.5°
C7S2H24114.5°103.0°
S2C5C6110.2°106.4°
S2C5C4124.7°126.8°
C5S2H24114.5°102.7°
N1C1S1113.3°109.0°
C1N1C3111.6°117.0°
C1S1C289.8°89.8°
C7N2C6112.1°115.1°
N1C3C4123.1°122.1°
N1C3C2114.7°115.8°
N2C6C5114.2°116.6°
N2C6O2123.3°121.7°
S1C2C3110.5°108.3°
S1C2H8124.8°125.8°
C6C5C4125.1°126.8°
C5C6O2122.6°121.7°
C5C4C3125.1°109.4°
C5C4H1105.4°109.4°
C5C4H2105.5°109.5°
C4C3C2122.2°122.1°
C3C4H1105.4°109.5°
C3C4H2105.4°109.5°
C3C2H8124.7°125.9°
H1C4H2109.5°109.5°
H9C15H10109.5°109.5°
H12C17H13109.4°109.5°
H14C18H15109.5°109.5°
H17C19H18109.5°109.5°
H19C20H20109.5°109.6°
H21C21H22109.5°109.5°
H21C21H23109.4°109.4°
H22C21H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F2C14F1F3114.8°120.0°
F2C14F1O1120.8°120.0°
F2C14F3O1120.1°120.0°
F2C14O1C11168.1°179.9°
F1C14F3O1124.6°120.0°
F1C14O1C1148.7°59.9°
F3C14O1C1173.6°60.0°
C14O1C11C10114.6°180.0°
C14O1C11C1268.6°0.2°
C21N4C18C19124.0°124.1°
C21N4C18C17177.4°174.2°
C21N4C19C20178.7°174.1°
C21N4C18H1457.0°54.1°
C21N4C18H1562.2°65.8°
C21N4C19H1761.0°54.1°
C21N4C19H1858.4°65.8°
N4C21H21H22120.0°120.0°
N4C21H21H23120.0°120.0°
N4C21H22H23120.0°120.0°
O1C11C10C12176.9°179.8°
O1C11C10C9178.1°179.8°
O1C11C12C13178.3°179.8°
O1C11C10H41.9°0.2°
O1C11C12H51.7°0.3°
N4C18C17H14120.4°120.0°
N4C18C17H15120.4°120.0°
C18N4C19C2054.7°61.8°
N4C18C17C1655.1°59.2°
N4C18C17H12175.3°60.8°
N4C18C17H1365.2°179.1°
N4C18H14H15118.9°119.9°
C18N4C19H17175.0°178.3°
C18N4C19H1865.6°58.3°
C18N4C21H21180.0°60.0°
C18N4C21H2260.0°180.0°
C18N4C21H2360.0°60.0°
C17C18N4C1953.4°61.7°
C18C17C16H12120.3°120.0°
C18C17C16H13120.3°119.9°
C18C17C16C2056.7°57.7°
C18C17C16C15178.0°177.6°
C18C17C16H1159.5°62.2°
C18C17H12H13119.2°120.0°
C17C18H14H15118.8°120.0°
N4C19C20H17120.3°120.0°
N4C19C20H18120.3°120.0°
N4C19C20C1657.5°59.2°
C19N4C18H1466.9°178.2°
C19N4C18H15173.8°58.3°
N4C19H17H18119.0°119.9°
N4C19C20H1962.7°179.1°
N4C19C20H20177.6°60.7°
C19N4C21H2154.9°64.2°
C19N4C21H22175.0°55.8°
C19N4C21H2365.0°175.8°
C19C20C16C1757.8°57.7°
C19C20C16H19120.2°119.9°
C19C20C16H20120.2°119.9°
C19C20C16C15177.1°177.6°
C19C20C16H1158.4°62.2°
C20C19H17H18119.0°120.1°
C19C20H19H20119.5°120.1°
C11C10C9H4180.0°180.0°
C10C11C12C131.5°0.1°
C11C10C9C80.2°0.0°
C11C10C9H3179.8°180.0°
C10C11C12H5178.5°179.9°
C12C11C10C91.2°0.0°
C11C12C13H5180.0°179.9°
C11C12C13C80.8°0.1°
C12C11C10H4178.8°180.0°
C11C12C13H6179.3°180.0°
C10C9C8H3180.0°180.0°
C10C9C8C130.5°0.0°
C10C9C8C1179.4°180.0°
C17C16C20C15125.1°119.9°
C17C16C20H11116.2°119.9°
C17C16C15H11118.5°120.2°
C17C16C15N366.7°65.3°
C17C16C15H9172.7°174.7°
C17C16C15H1054.0°54.7°
C16C17H12H13119.2°120.1°
C16C17C18H1465.3°179.2°
C16C17C18H15175.5°60.8°
C17C16C20H1962.4°177.6°
C17C16C20H20178.0°62.3°
C20C16C15H11118.7°120.1°
C20C16C15N356.2°175.0°
C20C16C15H964.4°55.0°
C20C16C15H10176.8°65.0°
C20C16C17H12177.0°62.3°
C20C16C17H1363.6°177.6°
C16C20C19H17177.8°179.2°
C16C20C19H1862.8°60.8°
C16C20H19H20119.5°120.1°
C16C15N3H9120.6°120.0°
C16C15N3H10120.6°120.0°
C16C15N3C7105.6°180.0°
C16C15N3H774.4°0.0°
C16C15H9H10118.1°120.0°
C15C16C17H1257.7°57.6°
C15C16C17H1361.7°62.5°
C15C16C20H1962.7°62.5°
C15C16C20H2057.0°57.6°
C12C13C8C90.3°0.1°
C12C13C8H6180.0°179.9°
C12C13C8C1179.1°180.0°
C9C8C13C1178.8°180.0°
C9C8C1N17.3°180.0°
C9C8C1S1174.1°0.0°
C8C9C10H4179.8°180.0°
C9C8C13H6179.7°180.0°
C15N3C7H7180.0°179.9°
C15N3C7S26.2°179.7°
C15N3C7N2173.4°0.1°
N3C15H9H10118.0°120.0°
N3C15C16H11174.9°54.9°
C13C8C1N1171.5°0.1°
C13C8C1S17.2°180.0°
C13C8C9H3179.5°180.0°
C8C13C12H5179.2°180.0°
C8C1N1S1178.8°180.0°
C8C1N1C3179.2°180.0°
C8C1S1C2176.9°180.0°
C1C8C9H30.6°0.1°
C1C8C13H60.9°0.1°
N3C7S2N2179.6°179.7°
N3C7S2C5173.8°179.9°
N3C7N2C6175.5°180.0°
C7N3C15H915.0°60.0°
C7N3C15H10133.8°60.0°
N3C7S2H2470.0°75.0°
C7S2C5H24116.2°105.2°
S2C7N2C64.9°0.3°
C7S2C5C66.3°0.3°
C7S2C5C4174.4°179.9°
S2C7N3H7173.8°0.3°
C5S2C7N26.6°0.4°
S2C5C6N25.2°0.2°
S2C5C6C4179.3°179.8°
S2C5C4C35.0°94.8°
S2C5C6O2174.6°179.7°
S2C5C4H1117.1°145.3°
S2C5C4H2127.1°25.3°
N1C1S1C21.9°0.0°
C1N1C3C4177.3°180.0°
C1N1C3C23.4°0.0°
S1C1N1C30.4°0.0°
C1S1C2C33.7°0.0°
C1S1C2H8176.3°179.9°
C7N2C6C50.3°0.1°
C7N2C6O2179.5°180.0°
N2C7N3H76.7°180.0°
N2C7S2H24109.6°105.3°
N1C3C2S14.8°0.0°
N1C3C4C59.1°55.0°
N1C3C4C2179.2°180.0°
N1C3C4H1131.2°175.0°
N1C3C4H2113.0°65.0°
N1C3C2H8175.2°180.0°
N2C6C5O2179.8°180.0°
N2C6C5C4175.5°180.0°
S1C2C3C4175.9°180.0°
S1C2C3H8180.0°180.0°
C6C5C4C3174.1°85.0°
C6C5C4H163.8°35.0°
C6C5C4H252.0°155.0°
C6C5S2H24109.8°105.5°
C5C4C3H1122.1°119.9°
C5C4C3H2122.1°120.0°
C5C4C3C2170.1°125.0°
C4C5C6O24.7°0.0°
C5C4H1H2113.0°120.0°
C4C5S2H2469.4°74.7°
C3C4H1H2113.0°120.1°
C4C3C2H84.1°0.0°
C2C3C4H148.0°5.0°
C2C3C4H267.8°115.0°
H3C9C10H40.2°0.1°
H5C12C13H60.7°0.1°
H7N3C15H9165.0°120.0°
H7N3C15H1046.2°120.0°
H9C15C16H1154.3°65.1°
H10C15C16H1164.5°174.9°
H11C16C17H1260.8°177.8°
H11C16C17H13179.8°57.7°
H11C16C20H19178.6°57.7°
H11C16C20H2061.8°177.8°
H12C17C18H1454.9°59.2°
H12C17C18H1564.3°179.2°
H13C17C18H14174.4°60.9°
H13C17C18H1555.2°59.1°
H17C19C20H1957.6°60.9°
H17C19C20H2062.0°59.2°
H18C19C20H19177.0°59.1°
H18C19C20H2057.3°179.3°
H21C21H22H23120.0°120.0°

222624

PDB entries from 2024-07-17

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