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HFF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5C6sing1.38Å1.38ÅAromatic
C5C4doub1.38Å1.38ÅAromatic
C6C7doub1.38Å1.39ÅAromatic
C4C3sing1.39Å1.40ÅAromatic
C7C8sing1.39Å1.40ÅAromatic
C3C8doub1.38Å1.40ÅAromatic
C3C2sing1.51Å1.50Å
C8C9sing1.50Å1.53Å
C2C1sing1.53Å1.51Å
C9Nsing1.45Å1.47Å
C9C10sing1.51Å1.51Å
NC1sing1.48Å1.47Å
NCsing1.34Å1.32Å
C10N1sing1.47Å1.48Å
CC20sing1.51Å1.50Å
COdoub1.21Å1.21Å
C20N1sing1.47Å1.46Å
N1C11sing1.35Å1.31Å
S1C11doub1.71Å1.59Å
C11N2sing1.35Å1.32Å
N2C12sing1.47Å1.47Å
C12C13sing1.53Å1.49Å
C13C14sing1.51Å1.51Å
C14C15doub1.38Å1.39ÅAromatic
C14C19sing1.38Å1.38ÅAromatic
C15C16sing1.38Å1.39ÅAromatic
C19C18doub1.38Å1.38ÅAromatic
C16C17doub1.38Å1.39ÅAromatic
C18C17sing1.38Å1.39ÅAromatic
C17Ssing1.76Å1.76Å
N3Ssing1.66Å1.61Å
O1Sdoub1.42Å1.44Å
SO2doub1.42Å1.45Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C4H5sing1.08Å1.08Å
C5H6sing1.08Å1.08Å
C9H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C7H10sing1.08Å1.08Å
C6H11sing1.08Å1.08Å
C20H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
N2H14sing0.97Å1.00Å
C12H15sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C13H17sing1.09Å1.10Å
C13H18sing1.09Å1.10Å
C19H19sing1.08Å1.08Å
C18H20sing1.08Å1.08Å
N3H21sing0.97Å1.00Å
N3H22sing0.97Å1.00Å
C16H23sing1.08Å1.08Å
C15H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C5C4119.9°119.9°
C5C6C7120.0°119.7°
C6C5H6120.0°120.0°
C5C6H11120.0°120.2°
C5C4C3120.9°120.6°
C5C4H5119.6°119.7°
C4C5H6120.1°120.1°
C6C7C8120.9°120.5°
C6C7H10119.6°119.8°
C7C6H11120.0°120.1°
C4C3C8119.4°119.5°
C4C3C2121.1°117.9°
C3C4H5119.6°119.7°
C7C8C3118.9°119.9°
C7C8C9119.9°118.3°
C8C7H10119.5°119.8°
C8C3C2119.4°122.7°
C3C8C9121.2°121.8°
C3C2C1110.2°111.1°
C3C2H3109.3°109.1°
C3C2H4109.3°109.1°
C8C9N113.5°110.8°
C8C9C10110.9°111.3°
C8C9H7107.7°105.9°
C2C1N110.3°107.8°
C2C1H1109.3°109.8°
C2C1H2109.3°109.8°
C1C2H3109.3°109.2°
C1C2H4109.3°109.2°
NC9C10108.3°114.7°
C9NC1119.2°116.7°
C9NC120.9°124.9°
NC9H7108.4°106.7°
C9C10N1111.5°110.9°
C10C9H7107.9°106.8°
C9C10H8109.0°109.2°
C9C10H9108.9°109.2°
C1NC118.7°118.4°
NC1H1109.3°109.8°
NC1H2109.3°109.8°
NCC20113.9°121.3°
NCO124.3°119.4°
C10N1C20117.2°117.0°
C10N1C11115.8°121.5°
N1C10H8109.0°109.2°
N1C10H9109.0°109.2°
C20CO121.5°119.3°
CC20N1115.2°107.2°
CC20H12108.0°110.1°
CC20H13108.0°109.9°
C20N1C11126.8°121.4°
N1C20H12108.0°109.9°
N1C20H13108.0°109.9°
N1C11S1115.3°120.0°
N1C11N2123.9°120.0°
S1C11N2120.8°120.0°
C11N2C12123.9°120.0°
C11N2H14118.1°120.0°
N2C12C13110.7°109.5°
C12N2H14118.0°120.0°
N2C12H15109.2°109.5°
N2C12H16109.2°109.5°
C12C13C14109.2°109.5°
C13C12H15109.2°109.5°
C13C12H16109.2°109.5°
C12C13H17109.5°109.5°
C12C13H18109.5°109.4°
C13C14C15120.0°119.9°
C13C14C19121.7°120.1°
C14C13H17109.6°109.5°
C14C13H18109.5°109.4°
C15C14C19118.3°120.0°
C14C15C16121.1°120.0°
C14C15H24119.4°120.1°
C14C19C18121.8°120.0°
C14C19H19119.1°120.0°
C15C16C17119.2°120.0°
C15C16H23120.4°120.0°
C16C15H24119.4°120.0°
C19C18C17119.7°120.0°
C18C19H19119.1°120.0°
C19C18H20120.1°120.0°
C16C17C18119.9°120.0°
C16C17S121.6°120.0°
C17C16H23120.4°120.0°
C18C17S118.5°120.0°
C17C18H20120.2°120.0°
C17SN3108.8°107.2°
C17SO1105.4°106.4°
C17SO2106.7°106.4°
N3SO1109.9°106.4°
N3SO2109.1°106.4°
SN3H21109.5°120.0°
SN3H22109.5°120.0°
O1SO2116.6°123.1°
H1C1H2109.5°109.8°
H3C2H4109.4°109.2°
H8C10H9109.5°109.2°
H12C20H13109.4°109.8°
H15C12H16109.4°109.4°
H17C13H18109.5°109.5°
H21N3H22109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C5C4H6180.0°179.9°
C5C6C7H11180.0°179.9°
C6C5C4C30.6°0.1°
C5C6C7C80.4°0.0°
C6C5C4H5179.4°179.9°
C5C6C7H10179.6°179.9°
C4C5C6C70.5°0.2°
C5C4C3H5180.0°180.0°
C5C4C3C81.8°0.3°
C5C4C3C2175.5°179.5°
C4C5C6H11179.5°179.8°
C6C7C8H10180.0°179.9°
C6C7C8C30.9°0.5°
C6C7C8C9177.9°179.3°
C7C6C5H6179.5°179.8°
C4C3C8C71.9°0.6°
C4C3C8C2177.4°179.8°
C4C3C8C9176.8°179.1°
C4C3C2C1145.7°160.2°
C4C3C2H394.2°79.4°
C4C3C2H425.6°39.8°
C3C4C5H6179.4°180.0°
C7C8C3C9178.7°179.8°
C7C8C3C2175.5°179.2°
C7C8C9N164.1°168.6°
C7C8C9C1042.0°39.7°
C7C8C9H775.9°76.0°
C8C7C6H11179.6°179.9°
C8C3C2C131.7°20.0°
C3C8C9N17.1°11.6°
C3C8C9C10139.3°140.5°
C8C3C2H388.5°100.4°
C8C3C2H4151.8°140.4°
C8C3C4H5178.2°179.6°
C3C8C9H7102.9°103.7°
C3C8C7H10179.1°179.6°
C2C3C8C95.8°1.0°
C3C2C1H3120.1°120.4°
C3C2C1H4120.1°120.4°
C3C2C1N57.0°47.6°
C3C2C1H1177.1°72.0°
C3C2C1H263.1°167.2°
C3C2H3H4119.6°119.2°
C2C3C4H54.5°0.5°
C8C9NC10123.6°127.1°
C8C9NH7119.6°114.9°
C8C9C10H7117.7°115.2°
C8C9NC111.2°44.6°
C8C9NC178.8°134.0°
C8C9C10N1173.7°104.7°
C8C9C10H853.4°15.6°
C8C9C10H966.0°135.0°
C9C8C7H102.1°0.6°
C2C1NC948.4°64.1°
C2C1NH1120.1°119.6°
C2C1NH2120.1°119.6°
C2C1NC143.7°114.5°
C2C1H1H2119.6°120.8°
C1C2H3H4119.7°119.3°
NC9C10H7117.1°118.0°
C9NC1C167.9°178.7°
NC9C10N148.5°22.1°
C9NCC2012.9°7.1°
C9NCO172.8°172.9°
C9NC1H1168.5°55.4°
C9NC1H271.8°176.3°
NC9C10H871.8°142.4°
NC9C10H9168.8°98.2°
C10C9NC1112.5°171.6°
C10C9NC55.2°6.9°
C9C10N1H8120.3°120.4°
C9C10N1H9120.3°120.4°
C9C10N1C206.8°54.9°
C9C10N1C11169.7°125.1°
C9C10H8H9119.1°119.4°
C1NCC20154.8°171.5°
C1NCO19.5°8.6°
NC1H1H2119.6°120.9°
NC1C2H363.1°72.8°
NC1C2H4177.1°167.9°
C1NC9H7130.8°70.3°
NCC20O174.4°179.9°
NCC20N133.6°21.5°
CNC1H123.6°125.9°
CNC1H296.2°5.0°
CNC9H761.6°111.1°
NCC20H1287.3°141.0°
NCC20H13154.4°97.9°
C10N1C20C35.7°53.4°
C10N1C20C11176.0°179.9°
C10N1C11S12.8°174.8°
C10N1C11N2179.8°5.1°
N1C10C9H768.6°140.1°
N1C10H8H9119.1°119.3°
C10N1C20H1285.1°173.0°
C10N1C20H13156.6°66.0°
CC20N1H12120.9°119.6°
CC20N1H13120.9°119.4°
CC20N1C11148.3°126.5°
CC20H12H13117.4°121.2°
OCC20N1140.9°158.5°
OCC20H1298.3°39.1°
OCC20H1320.0°82.0°
C20N1C11S1173.2°5.1°
C20N1C11N24.1°175.0°
C20N1C10H8113.6°175.2°
C20N1C10H9127.0°65.5°
N1C20H12H13117.4°121.0°
N1C11S1N2177.4°179.9°
N1C11N2C12179.8°175.0°
C11N1C10H870.0°4.7°
C11N1C10H949.4°114.6°
C11N1C20H1290.8°6.9°
C11N1C20H1327.4°114.0°
N1C11N2H140.2°4.9°
S1C11N2C122.6°5.0°
S1C11N2H14177.4°175.0°
C11N2C12H14180.0°179.9°
C11N2C12C13116.1°180.0°
C11N2C12H154.1°60.0°
C11N2C12H16123.7°60.0°
N2C12C13H15120.2°120.0°
N2C12C13H16120.2°120.0°
N2C12C13C14163.3°180.0°
N2C12H15H16119.4°120.0°
N2C12C13H1776.7°60.0°
N2C12C13H1843.4°60.0°
C12C13C14H17119.9°120.1°
C12C13C14H18119.9°120.0°
C12C13C14C1589.1°90.0°
C12C13C14C1992.2°89.7°
C13C12N2H1463.9°0.0°
C13C12H15H16119.4°120.0°
C12C13H17H18120.1°120.0°
C13C14C15C19178.7°179.7°
C13C14C15C16179.4°179.9°
C13C14C19C18179.7°180.0°
C14C13C12H1543.1°60.0°
C14C13C12H1676.5°60.0°
C14C13H17H18120.1°119.9°
C13C14C19H190.3°0.0°
C13C14C15H240.6°0.0°
C14C15C16H24180.0°179.8°
C15C14C19C181.6°0.2°
C14C15C16C171.2°0.4°
C15C14C13H1730.8°30.1°
C15C14C13H18150.9°150.0°
C15C14C19H19178.4°179.7°
C14C15C16H23178.8°179.7°
C19C14C15C160.7°0.4°
C14C19C18H19180.0°180.0°
C14C19C18C170.6°0.0°
C19C14C13H17147.9°150.2°
C19C14C13H1827.7°30.2°
C14C19C18H20179.5°180.0°
C19C14C15H24179.3°179.7°
C15C16C17H23180.0°179.9°
C15C16C17C182.3°0.1°
C15C16C17S179.3°179.9°
C19C18C17C161.4°0.1°
C19C18C17H20180.0°180.0°
C19C18C17S179.9°179.9°
C16C17C18S178.5°180.0°
C16C17SN344.0°90.0°
C16C17SO1161.8°23.6°
C16C17SO273.7°156.5°
C16C17C18H20178.6°180.0°
C17C16C15H24178.8°179.8°
C18C17SN3137.6°90.0°
C18C17SO119.7°156.4°
C18C17SO2104.8°23.5°
C17C18C19H19179.4°180.0°
C18C17C16H23177.7°180.0°
C17SN3O1114.9°113.6°
C17SN3O2116.0°113.5°
C17SO1O2118.1°123.0°
SC17C18H200.1°0.0°
C17SN3H21180.0°0.0°
C17SN3H2260.0°179.9°
SC17C16H230.8°0.0°
N3SO1O2124.8°122.9°
SN3H21H22120.0°179.9°
O1SN3H2165.1°113.6°
O1SN3H2255.0°66.5°
O2SN3H2163.9°113.5°
O2SN3H22176.0°66.4°
H1C1C2H357.0°167.6°
H1C1C2H462.8°48.4°
H2C1C2H3176.8°46.8°
H2C1C2H457.0°72.5°
H5C4C5H60.6°0.0°
H6C5C6H110.5°0.1°
H7C9C10H8171.1°99.6°
H7C9C10H951.7°19.8°
H10C7C6H110.4°0.0°
H14N2C12H15175.9°120.0°
H14N2C12H1656.3°120.1°
H15C12C13H17163.1°180.0°
H15C12C13H1876.8°60.0°
H16C12C13H1743.5°60.0°
H16C12C13H18163.6°180.0°
H19C19C18H200.5°0.1°
H23C16C15H241.2°0.1°

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