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HIL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5C6sing1.38Å1.38ÅAromatic
C5C4doub1.38Å1.38ÅAromatic
C6C7doub1.38Å1.39ÅAromatic
C4C3sing1.39Å1.39ÅAromatic
C7C8sing1.39Å1.39ÅAromatic
C8C3doub1.38Å1.40ÅAromatic
C8C9sing1.51Å1.52Å
C3C2sing1.51Å1.50Å
C9Nsing1.45Å1.47Å
C9C10sing1.51Å1.51Å
C1C2sing1.53Å1.51Å
C1Nsing1.48Å1.47Å
NCsing1.34Å1.34Å
C10N1sing1.47Å1.47Å
COdoub1.21Å1.21Å
CC20sing1.51Å1.50Å
N1C20sing1.47Å1.46Å
N1C11sing1.35Å1.34Å
O3C11doub1.22Å1.22Å
C11N2sing1.35Å1.35Å
N2C12sing1.46Å1.47Å
C12C13sing1.53Å1.51Å
C13C14sing1.51Å1.51Å
C14C15doub1.38Å1.40ÅAromatic
C14C19sing1.38Å1.37ÅAromatic
C15C16sing1.38Å1.40ÅAromatic
C19C18doub1.38Å1.38ÅAromatic
C16C17doub1.38Å1.38ÅAromatic
C18C17sing1.38Å1.39ÅAromatic
C17Ssing1.76Å1.75Å
N3Ssing1.66Å1.58Å
O1Sdoub1.42Å1.44Å
SO2doub1.42Å1.47Å
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
N3H5sing0.97Å1.00Å
N3H6sing0.97Å1.00Å
C4H7sing1.08Å1.08Å
C10H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
C7H11sing1.08Å1.08Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C20H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
N2H16sing0.97Å1.00Å
C12H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C13H19sing1.09Å1.10Å
C13H20sing1.09Å1.10Å
C19H21sing1.08Å1.08Å
C18H22sing1.08Å1.08Å
C16H23sing1.08Å1.08Å
C15H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C5C4119.9°119.9°
C5C6C7120.1°119.7°
C6C5H1120.1°120.1°
C5C6H2120.0°120.2°
C5C4C3120.7°120.6°
C4C5H1120.0°120.0°
C5C4H7119.7°119.7°
C6C7C8120.6°120.5°
C7C6H2120.0°120.1°
C6C7H11119.7°119.8°
C4C3C8119.4°119.5°
C4C3C2121.2°117.8°
C3C4H7119.6°119.7°
C7C8C3119.2°119.9°
C7C8C9119.2°118.3°
C8C7H11119.7°119.8°
C3C8C9121.6°121.8°
C8C3C2119.0°122.7°
C8C9N113.4°110.4°
C8C9C10113.4°111.2°
C8C9H10107.0°106.7°
C3C2C1108.0°111.1°
C3C2H3109.8°109.2°
C3C2H4109.8°109.1°
NC9C10108.0°114.7°
C9NC1119.8°116.7°
C9NC122.0°124.9°
NC9H10107.6°106.9°
C9C10N1108.2°110.8°
C9C10H8109.8°109.2°
C9C10H9109.8°109.2°
C10C9H10107.1°106.4°
C2C1N110.0°107.6°
C1C2H3109.8°109.1°
C1C2H4109.8°109.1°
C2C1H12109.3°109.9°
C2C1H13109.3°109.8°
C1NC118.2°118.4°
NC1H12109.3°109.9°
NC1H13109.3°109.8°
NCO122.5°119.3°
NCC20118.3°121.4°
C10N1C20115.0°117.0°
C10N1C11117.6°121.5°
N1C10H8109.8°109.2°
N1C10H9109.8°109.2°
OCC20119.1°119.3°
CC20N1117.5°107.2°
CC20H14107.5°109.9°
CC20H15107.4°110.0°
C20N1C11120.0°121.5°
N1C20H14107.4°109.9°
N1C20H15107.4°109.9°
N1C11O3117.0°120.0°
N1C11N2116.8°120.0°
O3C11N2126.1°120.0°
C11N2C12121.7°120.0°
C11N2H16119.1°120.0°
N2C12C13112.6°109.5°
C12N2H16119.2°120.0°
N2C12H17108.7°109.5°
N2C12H18108.7°109.5°
C12C13C14107.8°109.5°
C13C12H17108.7°109.4°
C13C12H18108.7°109.5°
C12C13H19109.9°109.5°
C12C13H20109.9°109.5°
C13C14C15121.0°120.0°
C13C14C19121.0°120.0°
C14C13H19109.9°109.4°
C14C13H20109.9°109.5°
C15C14C19118.0°120.0°
C14C15C16121.2°120.0°
C14C15H24119.4°120.0°
C14C19C18121.9°120.0°
C14C19H21119.0°120.0°
C15C16C17118.9°120.0°
C15C16H23120.5°120.0°
C16C15H24119.4°120.0°
C19C18C17119.7°120.0°
C18C19H21119.1°120.0°
C19C18H22120.1°120.0°
C16C17C18120.2°120.0°
C16C17S121.2°120.0°
C17C16H23120.5°120.0°
C18C17S118.6°120.0°
C17C18H22120.2°120.0°
C17SN3109.4°107.2°
C17SO1105.1°106.4°
C17SO2106.6°106.4°
N3SO1109.5°106.4°
N3SO2109.4°106.4°
SN3H5109.5°120.0°
SN3H6109.5°120.0°
O1SO2116.7°123.1°
H3C2H4109.5°109.2°
H5N3H6109.5°120.0°
H8C10H9109.5°109.2°
H12C1H13109.5°109.8°
H14C20H15109.4°109.9°
H17C12H18109.5°109.4°
H19C13H20109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C5C4H1180.0°179.9°
C5C6C7H2180.0°180.0°
C6C5C4C30.8°0.0°
C5C6C7C80.1°0.0°
C6C5C4H7179.2°179.9°
C5C6C7H11179.9°180.0°
C4C5C6C70.7°0.2°
C5C4C3H7180.0°180.0°
C5C4C3C83.2°0.4°
C5C4C3C2169.8°178.9°
C4C5C6H2179.3°179.8°
C6C7C8H11180.0°180.0°
C6C7C8C32.5°0.4°
C6C7C8C9175.6°179.3°
C7C6C5H1179.2°179.7°
C4C3C8C74.0°0.6°
C4C3C8C2173.2°179.3°
C4C3C8C9174.0°179.1°
C4C3C2C1143.0°160.9°
C3C4C5H1179.2°180.0°
C4C3C2H323.3°40.5°
C4C3C2H497.2°78.8°
C7C8C3C9178.0°179.7°
C7C8C3C2169.1°178.7°
C7C8C9N175.4°167.5°
C7C8C9C1060.9°39.0°
C8C7C6H2179.8°180.0°
C7C8C9H1056.9°76.7°
C3C8C9N2.6°12.8°
C3C8C9C10121.0°141.3°
C8C3C2C144.0°19.7°
C8C3C2H3163.7°140.1°
C8C3C2H475.8°100.6°
C8C3C4H7176.8°179.5°
C3C8C9H10121.1°103.0°
C3C8C7H11177.5°179.6°
C9C8C3C212.8°1.6°
C8C9NC10126.6°126.6°
C8C9NH10118.1°115.8°
C8C9C10H10117.8°115.9°
C8C9NC116.4°45.8°
C8C9NC166.4°132.9°
C8C9C10N1170.8°103.3°
C8C9C10H869.4°136.4°
C8C9C10H951.0°17.0°
C9C8C7H114.4°0.8°
C3C2C1H3119.8°120.4°
C3C2C1H4119.8°120.3°
C3C2C1N59.8°47.2°
C3C2H3H4120.7°119.2°
C2C3C4H710.2°1.1°
C3C2C1H1260.3°72.4°
C3C2C1H13179.8°166.7°
NC9C10H10115.6°117.9°
C9NC1C248.9°64.6°
C9NC1C177.3°178.7°
NC9C10N162.6°22.9°
C9NCO173.8°173.0°
C9NCC203.4°7.0°
NC9C10H857.2°97.5°
NC9C10H9177.6°143.2°
C9NC1H1271.2°55.0°
C9NC1H13169.0°175.8°
C10C9NC1143.0°172.4°
C10C9NC39.8°6.3°
C9C10N1H8119.8°120.3°
C9C10N1H9119.8°120.3°
C9C10N1C2052.1°55.3°
C9C10N1C11158.1°124.7°
C9C10H8H9120.6°119.3°
C2C1NH12120.1°119.6°
C2C1NH13120.1°119.5°
C2C1NC133.8°114.1°
C1C2H3H4120.7°119.1°
C2C1H12H13119.8°120.9°
C1NCO3.5°8.4°
C1NCC20179.4°171.6°
NC1C2H3179.5°167.6°
NC1C2H460.0°73.1°
C1NC9H10101.7°70.0°
NC1H12H13119.8°120.9°
NCOC20177.1°180.0°
NCC20N110.1°21.2°
CNC9H1075.5°111.4°
CNC1H12106.1°126.3°
CNC1H1313.7°5.4°
NCC20H14111.1°140.6°
NCC20H15131.3°98.3°
C10N1C20C16.0°53.2°
C10N1C20C11149.0°180.0°
C10N1C11O322.9°5.2°
C10N1C11N2160.3°174.9°
N1C10H8H9120.6°119.3°
N1C10C9H1053.0°140.8°
C10N1C20H14137.1°172.6°
C10N1C20H15105.2°66.3°
OCC20N1172.7°158.8°
OCC20H1466.2°39.4°
OCC20H1551.5°81.7°
CC20N1H14121.2°119.4°
CC20N1H15121.2°119.5°
CC20N1C11165.0°126.8°
CC20H14H15116.4°121.1°
C20N1C11O3171.2°174.8°
C20N1C11N212.1°5.1°
C20N1C10H867.8°65.1°
C20N1C10H9171.8°175.6°
N1C20H14H15116.3°121.1°
N1C11O3N2176.4°179.9°
N1C11N2C12177.0°175.0°
C11N1C10H882.1°114.9°
C11N1C10H938.3°4.4°
C11N1C20H1473.8°7.3°
C11N1C20H1543.8°113.7°
N1C11N2H163.0°5.0°
O3C11N2C126.6°5.0°
O3C11N2H16173.4°175.0°
C11N2C12H16180.0°180.0°
C11N2C12C13114.1°180.0°
C11N2C12H176.3°60.0°
C11N2C12H18125.4°59.9°
N2C12C13H17120.5°120.0°
N2C12C13H18120.5°120.1°
N2C12C13C14162.8°180.0°
N2C12H17H18118.6°120.0°
N2C12C13H1977.5°60.1°
N2C12C13H2043.0°60.0°
C12C13C14H19119.8°120.0°
C12C13C14H20119.8°120.1°
C12C13C14C1587.8°90.0°
C12C13C14C1993.2°89.8°
C13C12N2H1665.8°0.0°
C13C12H17H18118.6°120.0°
C12C13H19H20120.8°120.1°
C13C14C15C19179.0°179.8°
C13C14C15C16179.3°179.8°
C13C14C19C18178.0°180.0°
C14C13C12H1742.3°60.0°
C14C13C12H1876.7°59.9°
C14C13H19H20120.7°120.0°
C13C14C19H212.1°0.1°
C13C14C15H240.7°0.0°
C14C15C16H24180.0°179.7°
C15C14C19C183.1°0.2°
C14C15C16C172.6°0.5°
C15C14C13H1931.9°30.0°
C15C14C13H20152.4°149.9°
C15C14C19H21176.9°179.7°
C14C15C16H23177.4°179.8°
C19C14C15C160.4°0.5°
C14C19C18H21180.0°179.9°
C14C19C18C172.8°0.0°
C19C14C13H19147.0°150.2°
C19C14C13H2026.5°30.3°
C14C19C18H22177.2°180.0°
C19C14C15H24179.6°179.8°
C15C16C17H23180.0°179.8°
C15C16C17C182.9°0.2°
C15C16C17S179.1°179.8°
C19C18C17C160.3°0.0°
C19C18C17H22180.0°180.0°
C19C18C17S178.3°179.9°
C16C17C18S178.0°179.9°
C16C17SN344.6°90.0°
C16C17SO1162.1°23.5°
C16C17SO273.5°156.4°
C16C17C18H22179.7°180.0°
C17C16C15H24177.4°179.8°
C18C17SN3137.4°90.1°
C18C17SO119.9°156.4°
C18C17SO2104.5°23.5°
C17C18C19H21177.2°179.9°
C18C17C16H23177.1°180.0°
C17SN3O1114.7°113.5°
C17SN3O2116.4°113.6°
C17SO1O2117.8°123.0°
C17SN3H5180.0°150.0°
C17SN3H660.0°30.1°
SC17C18H221.7°0.0°
SC17C16H230.9°0.0°
N3SO1O2124.9°123.0°
SN3H5H6120.0°179.9°
O1SN3H565.4°36.5°
O1SN3H654.6°143.6°
O2SN3H563.6°96.4°
O2SN3H6176.4°83.5°
H1C5C6H20.8°0.2°
H1C5C4H70.8°0.0°
H2C6C7H110.1°0.1°
H3C2C1H1259.5°48.0°
H3C2C1H1360.4°72.8°
H4C2C1H12179.9°167.3°
H4C2C1H1360.1°46.4°
H8C10C9H10172.8°20.5°
H9C10C9H1066.8°98.9°
H16N2C12H17173.7°120.0°
H16N2C12H1854.6°120.1°
H17C12C13H19162.1°180.0°
H17C12C13H2077.4°60.0°
H18C12C13H1943.0°60.0°
H18C12C13H20163.5°180.0°
H21C19C18H222.8°0.1°
H23C16C15H242.6°0.0°

223790

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