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A1B7H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F1C18sing1.40Å1.40Å
F3C18sing1.40Å1.40Å
C18C16sing1.51Å1.51Å
C18F2sing1.40Å1.40Å
C17N4doub1.32Å1.32ÅAromatic
C17C16sing1.39Å1.39ÅAromatic
N4C7sing1.33Å1.32ÅAromatic
C16C8doub1.39Å1.39ÅAromatic
C7N2sing1.39Å1.39Å
C7N3doub1.32Å1.33ÅAromatic
C15C14sing1.53Å1.53Å
C15C9sing1.53Å1.53Å
C8N3sing1.32Å1.32ÅAromatic
C8C9sing1.51Å1.51Å
N2C6sing1.40Å1.41Å
C14C12sing1.53Å1.53Å
C9C10sing1.53Å1.53Å
C19C6doub1.39Å1.39ÅAromatic
C19C20sing1.38Å1.38ÅAromatic
C6C4sing1.39Å1.39ÅAromatic
C20C2doub1.38Å1.38ÅAromatic
C4C5sing1.51Å1.50Å
C4C3doub1.38Å1.38ÅAromatic
C12O3sing1.43Å1.43Å
C12C13sing1.53Å1.53Å
C12C11sing1.53Å1.53Å
C10C11sing1.53Å1.53Å
O2Sdoub1.42Å1.42Å
C2C3sing1.38Å1.38ÅAromatic
C2Ssing1.76Å1.76Å
SN1sing1.66Å1.66Å
SO1doub1.42Å1.42Å
N1C1sing1.47Å1.46Å
N1H1sing0.97Å1.00Å
C5H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C17H12sing1.08Å1.08Å
C20H13sing1.08Å1.08Å
C1H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
C1H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C11H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C19H21sing1.08Å1.08Å
C3H22sing1.08Å1.08Å
C9H23sing1.09Å1.10Å
N2H24sing0.97Å1.00Å
O3H25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F1C18F3108.3°109.5°
F1C18C16108.3°109.5°
F1C18F2109.1°109.4°
F3C18C16111.0°109.5°
F3C18F2110.1°109.4°
C16C18F2110.0°109.5°
C18C16C17118.9°120.7°
C18C16C8123.2°120.7°
N4C17C16119.9°119.2°
C17N4C7120.9°120.7°
N4C17H12120.0°120.4°
C17C16C8117.9°118.6°
C16C17H12120.1°120.4°
N4C7N2118.2°119.2°
N4C7N3120.7°121.6°
C16C8N3118.8°119.2°
C16C8C9122.3°120.4°
N2C7N3121.2°119.3°
C7N2C6124.3°120.0°
C7N2H24117.9°120.0°
C7N3C8121.8°120.8°
C14C15C9109.5°109.4°
C15C14C12109.4°109.5°
C14C15H10109.4°109.5°
C14C15H11109.5°109.6°
C15C14H19109.5°109.4°
C15C14H20109.5°109.5°
C15C9C8108.8°109.5°
C15C9C10109.2°109.5°
C9C15H10109.5°109.5°
C9C15H11109.5°109.4°
C15C9H23109.4°109.5°
N3C8C9118.9°120.4°
C8C9C10110.4°109.5°
C8C9H23109.7°109.4°
N2C6C19121.6°120.1°
N2C6C4119.3°120.0°
C6N2H24117.8°120.0°
C14C12O3109.4°109.5°
C14C12C13109.1°109.5°
C14C12C11110.0°109.4°
C12C14H19109.5°109.4°
C12C14H20109.5°109.5°
C9C10C11109.4°109.5°
C9C10H5109.5°109.5°
C9C10H6109.5°109.5°
C10C9H23109.4°109.5°
C6C19C20120.3°119.9°
C19C6C4119.0°119.9°
C6C19H21119.8°120.1°
C19C20C2120.1°120.1°
C19C20H13119.9°119.9°
C20C19H21119.8°120.0°
C6C4C5120.4°120.0°
C6C4C3120.4°119.9°
C20C2C3120.0°120.1°
C20C2S120.1°119.9°
C2C20H13119.9°120.0°
C5C4C3119.2°120.0°
C4C5H2109.5°109.5°
C4C5H3109.4°109.5°
C4C5H4109.5°109.5°
C4C3C2120.1°120.1°
C4C3H22120.0°119.9°
O3C12C13109.4°109.5°
O3C12C11109.6°109.5°
C12O3H25109.5°114.0°
C13C12C11109.3°109.5°
C12C13H7109.5°109.5°
C12C13H8109.5°109.5°
C12C13H9109.5°109.4°
C12C11C10110.1°109.4°
C12C11H17109.3°109.5°
C12C11H18109.3°109.5°
C11C10H5109.5°109.5°
C11C10H6109.5°109.4°
C10C11H17109.3°109.5°
C10C11H18109.3°109.5°
O2SC2106.5°106.4°
O2SN1106.9°106.4°
O2SO1122.9°123.1°
C3C2S119.9°119.9°
C2C3H22120.0°120.0°
C2SN1107.0°107.3°
C2SO1106.3°106.4°
N1SO1106.4°106.4°
SN1C1119.9°120.0°
SN1H1106.8°120.0°
C1N1H1106.8°120.0°
N1C1H14109.5°109.5°
N1C1H15109.5°109.4°
N1C1H16109.4°109.5°
H2C5H3109.5°109.5°
H2C5H4109.5°109.4°
H3C5H4109.5°109.4°
H5C10H6109.5°109.4°
H7C13H8109.5°109.5°
H7C13H9109.4°109.5°
H8C13H9109.5°109.4°
H10C15H11109.5°109.5°
H14C1H15109.5°109.4°
H14C1H16109.5°109.5°
H15C1H16109.5°109.5°
H17C11H18109.5°109.5°
H19C14H20109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F1C18F3C16118.8°120.0°
F1C18F3F2119.2°120.0°
F1C18C16F2119.2°120.0°
F1C18C16C174.3°120.0°
F1C18C16C8176.1°60.0°
F3C18C16F2122.1°120.0°
F3C18C16C17123.0°120.0°
F3C18C16C857.4°60.0°
C18C16C17N4179.9°180.0°
C18C16C17C8179.6°180.0°
C18C16C8N3180.0°179.9°
C18C16C8C90.6°0.0°
C18C16C17H120.1°0.0°
F2C18C16C17114.9°0.0°
F2C18C16C864.7°180.0°
N4C17C16H12180.0°180.0°
N4C17C16C80.3°0.0°
C17N4C7N2179.9°180.0°
C17N4C7N30.3°0.0°
C16C17N4C70.0°0.0°
C17C16C8N30.4°0.1°
C17C16C8C9179.8°180.0°
N4C7N2N3179.8°180.0°
N4C7N3C80.2°0.1°
N4C7N2C6161.5°5.9°
C7N4C17H12180.0°180.0°
N4C7N2H2418.5°174.1°
C16C8N3C70.2°0.1°
C16C8C9C15102.9°120.0°
C16C8N3C9179.4°179.9°
C16C8C9C10137.3°120.0°
C8C16C17H12179.7°180.0°
C16C8C9H2316.7°0.0°
N2C7N3C8180.0°180.0°
C7N2C6H24180.0°180.0°
C7N2C6C1932.4°25.0°
C7N2C6C4148.7°155.0°
C7N3C8C9179.6°180.0°
N3C7N2C618.7°174.1°
N3C7N2H24161.3°5.9°
C14C15C9H10120.0°120.0°
C14C15C9H11120.0°120.0°
C14C15C9C8178.2°180.0°
C15C14C12H19120.0°119.9°
C15C14C12H20120.0°120.1°
C14C15C9C1061.2°60.0°
C15C14C12O361.7°59.9°
C15C14C12C13178.6°179.9°
C15C14C12C1158.8°60.1°
C14C15H10H11120.0°120.1°
C15C14H19H20120.0°120.0°
C14C15C9H2358.4°60.0°
C15C9C8N376.5°60.0°
C15C9C8C10119.8°120.0°
C15C9C8H23119.6°120.0°
C9C15C14C1260.3°60.1°
C15C9C10H23119.6°120.0°
C15C9C10C1160.3°60.0°
C15C9C10H5179.7°60.1°
C15C9C10H659.6°180.0°
C9C15H10H11120.0°119.9°
C9C15C14H19179.7°180.0°
C9C15C14H2059.7°60.0°
N3C8C9C1043.3°60.0°
N3C8C9H23163.9°180.0°
C8C9C10H23120.8°120.0°
C8C9C10C11179.9°180.0°
C8C9C10H560.1°59.9°
C8C9C10H660.0°60.0°
C8C9C15H1058.2°60.0°
C8C9C15H1161.8°60.0°
N2C6C19C4178.9°180.0°
N2C6C19C20179.9°180.0°
N2C6C4C50.7°0.0°
N2C6C4C3179.7°179.7°
N2C6C19H210.0°0.0°
C14C12O3C13119.5°120.0°
C14C12O3C11120.7°120.0°
C14C12C13C11120.3°120.0°
C14C12C11C1058.4°60.0°
C14C12C13H7180.0°60.0°
C14C12C13H860.0°60.0°
C14C12C13H960.0°179.9°
C12C14C15H10179.7°180.0°
C12C14C15H1159.7°59.9°
C14C12C11H17178.5°60.0°
C14C12C11H1861.7°180.0°
C12C14H19H20120.1°120.0°
C14C12O3H25180.0°60.0°
C9C10C11C1259.1°60.0°
C9C10C11H5120.0°120.1°
C9C10C11H6120.0°120.0°
C9C10H5H6120.1°120.0°
C10C9C15H10178.8°180.0°
C10C9C15H1158.8°60.0°
C9C10C11H17179.2°60.0°
C9C10C11H1861.0°180.0°
C6C19C20H21180.0°179.9°
C6C19C20C20.8°0.3°
C19C6C4C5179.6°180.0°
C19C6C4C30.8°0.2°
C6C19C20H13179.2°180.0°
C19C6N2H24147.6°155.0°
C20C19C6C41.0°0.1°
C19C20C2H13180.0°179.7°
C19C20C2C30.4°0.3°
C19C20C2S179.8°179.6°
C6C4C5C3179.6°179.7°
C6C4C3C20.4°0.2°
C6C4C5H290.2°89.8°
C6C4C5H3149.8°30.3°
C6C4C5H429.8°150.3°
C4C6C19H21178.9°180.0°
C6C4C3H22179.6°179.7°
C4C6N2H2431.3°25.0°
C20C2C3C40.1°0.0°
C20C2SO278.3°156.5°
C20C2C3S179.8°179.9°
C20C2SN135.8°90.0°
C20C2SO1149.2°23.6°
C2C20C19H21179.2°179.7°
C20C2C3H22179.9°180.0°
C5C4C3C2180.0°180.0°
C4C5H2H3120.0°120.1°
C4C5H2H4120.0°120.0°
C4C5H3H4120.0°120.0°
C5C4C3H220.0°0.0°
C4C3C2H22180.0°180.0°
C4C3C2S180.0°179.9°
C3C4C5H290.2°90.0°
C3C4C5H329.8°150.0°
C3C4C5H4149.8°30.0°
O3C12C13C11120.1°120.0°
O3C12C11C1061.9°60.0°
O3C12C13H760.4°60.0°
O3C12C13H859.6°180.0°
O3C12C13H9179.6°60.1°
O3C12C11H1758.2°180.0°
O3C12C11H18178.0°60.0°
O3C12C14H1958.3°60.0°
O3C12C14H20178.3°180.0°
C13C12C11C10178.2°180.0°
C12C13H7H8120.0°120.0°
C12C13H7H9120.0°120.0°
C12C13H8H9120.0°119.9°
C13C12C11H1761.8°60.0°
C13C12C11H1858.1°60.0°
C13C12C14H1961.4°60.0°
C13C12C14H2058.7°60.0°
C13C12O3H2560.5°60.0°
C12C11C10H17120.1°120.0°
C12C11C10H18120.1°120.0°
C12C11C10H5179.0°60.1°
C12C11C10H660.9°180.0°
C11C12C13H759.7°180.0°
C11C12C13H8179.7°60.0°
C11C12C13H960.3°59.9°
C12C11H17H18119.7°120.0°
C11C12C14H19178.8°180.0°
C11C12C14H2061.2°60.0°
C11C12O3H2559.3°180.0°
C11C10H5H6120.0°120.0°
C10C11H17H18119.7°120.0°
C11C10C9H2359.3°60.0°
O2SC2C3101.9°23.6°
O2SC2N1114.1°113.6°
O2SC2O1132.5°132.9°
O2SN1O1132.9°132.9°
O2SN1C1179.6°48.6°
O2SN1H158.1°131.7°
C3C2SN1144.0°90.0°
C3C2SO130.6°156.5°
C3C2C20H13179.6°180.0°
C2SN1O1113.3°113.6°
C2SN1C166.6°65.0°
C2SN1H1171.9°114.7°
SC2C20H130.2°0.1°
SC2C3H220.0°0.0°
SN1C1H1121.5°179.7°
SN1C1H14180.0°60.3°
SN1C1H1560.0°179.7°
SN1C1H1660.0°59.7°
O1SN1C146.7°178.5°
O1SN1H174.8°1.2°
N1C1H14H15120.0°120.0°
N1C1H14H16120.0°120.0°
N1C1H15H16120.0°120.0°
H1N1C1H1458.5°120.0°
H1N1C1H15178.6°0.0°
H1N1C1H1661.5°120.0°
H2C5H3H4120.0°120.0°
H5C10C11H1760.8°179.9°
H5C10C11H1859.0°60.0°
H5C10C9H2360.7°179.9°
H6C10C11H1759.2°60.0°
H6C10C11H18179.0°60.0°
H6C10C9H23179.3°60.0°
H7C13H8H9120.0°120.1°
H10C15C14H1959.7°60.1°
H10C15C14H2060.3°60.0°
H10C15C9H2361.6°60.0°
H11C15C14H1960.3°60.0°
H11C15C14H20179.7°179.9°
H11C15C9H23178.4°180.0°
H13C20C19H210.8°0.0°
H14C1H15H16120.0°120.0°

251174

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