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WH9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N01C03sing1.39Å1.32Å
N01C07sing1.35Å1.32Å
C01C03doub1.39Å1.38ÅAromatic
C01C02sing1.38Å1.38ÅAromatic
CL3C02sing1.74Å1.72Å
C03C05sing1.40Å1.38ÅAromatic
O01C07doub1.22Å1.17Å
C07N02sing1.35Å1.33Å
C02C04doub1.39Å1.38ÅAromatic
C05N02sing1.39Å1.35Å
C05C06doub1.39Å1.39ÅAromatic
N02C08sing1.47Å1.47Å
C04C06sing1.38Å1.39ÅAromatic
C04CL2sing1.74Å1.72Å
C08C09sing1.53Å1.54Å
C08C10sing1.53Å1.53Å
C09C11sing1.53Å1.53Å
C10C12sing1.53Å1.54Å
C11N03sing1.47Å1.49Å
C12N03sing1.47Å1.49Å
C17C14doub1.38Å1.39ÅAromatic
C17C19sing1.38Å1.38ÅAromatic
N03C13sing1.47Å1.51Å
C14C18sing1.38Å1.40ÅAromatic
CL1C19sing1.74Å1.72Å
C19C16doub1.38Å1.38ÅAromatic
C18C13sing1.51Å1.53Å
C18C15doub1.38Å1.40ÅAromatic
C16C15sing1.38Å1.39ÅAromatic
C01H1sing1.08Å1.08Å
C06H2sing1.08Å1.08Å
C08H3sing1.09Å1.10Å
C09H4sing1.09Å1.10Å
C09H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C14H14sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
N01H18sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C03N01C07109.4°108.4°
N01C03C01131.5°133.3°
N01C03C05107.0°106.8°
C03N01H18125.3°125.8°
N01C07O01125.6°125.1°
N01C07N02109.0°109.7°
C07N01H18125.3°125.8°
C03C01C02119.3°119.9°
C01C03C05121.5°119.9°
C03C01H1120.3°120.0°
C01C02CL3120.0°119.9°
C01C02C04120.0°120.2°
C02C01H1120.4°120.1°
CL3C02C04120.0°119.9°
C03C05N02107.0°106.8°
C03C05C06119.2°119.9°
O01C07N02125.3°125.2°
C07N02C05107.5°108.4°
C07N02C08123.0°125.9°
C02C04C06120.4°120.2°
C02C04CL2119.3°119.8°
N02C05C06133.8°133.3°
C05N02C08129.5°125.8°
C05C06C04119.6°119.9°
C05C06H2120.2°120.1°
N02C08C09112.6°109.5°
N02C08C10112.3°109.5°
N02C08H3107.7°109.6°
C06C04CL2120.3°119.9°
C04C06H2120.2°120.0°
C09C08C10109.8°109.2°
C08C09C11109.9°109.3°
C09C08H3107.0°109.6°
C08C09H4109.3°109.5°
C08C09H5109.3°109.6°
C08C10C12108.8°109.3°
C10C08H3107.0°109.5°
C08C10H6109.7°109.5°
C08C10H7109.6°109.5°
C09C11N03113.0°109.5°
C11C09H4109.4°109.5°
C11C09H5109.4°109.5°
C09C11H8108.6°109.5°
C09C11H9108.6°109.5°
C10C12N03111.5°109.5°
C12C10H6109.7°109.5°
C12C10H7109.7°109.5°
C10C12H10109.0°109.5°
C10C12H11108.9°109.4°
C11N03C12114.1°111.2°
C11N03C13112.5°111.0°
N03C11H8108.6°109.5°
N03C11H9108.6°109.4°
C12N03C13112.3°111.0°
N03C12H10108.9°109.4°
N03C12H11109.0°109.5°
C14C17C19119.9°120.0°
C17C14C18121.1°120.0°
C17C14H14119.4°120.0°
C14C17H17120.0°120.0°
C17C19CL1119.7°120.0°
C17C19C16120.1°120.0°
C19C17H17120.0°120.0°
N03C13C18117.2°109.5°
N03C13H12107.5°109.5°
N03C13H13107.5°109.5°
C14C18C13122.3°120.0°
C14C18C15117.9°120.0°
C18C14H14119.4°120.0°
CL1C19C16120.2°120.0°
C19C16C15120.2°120.0°
C19C16H16119.9°120.0°
C13C18C15119.7°120.0°
C18C13H12107.5°109.4°
C18C13H13107.5°109.5°
C18C15C16120.7°120.0°
C18C15H15119.6°120.0°
C16C15H15119.7°120.0°
C15C16H16119.9°120.0°
H4C09H5109.5°109.5°
H6C10H7109.4°109.5°
H8C11H9109.4°109.4°
H10C12H11109.5°109.4°
H12C13H13109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C03N01C07H18180.0°180.0°
N01C03C01C05179.8°179.9°
N01C03C01C02180.0°180.0°
C03N01C07O01179.8°180.0°
C03N01C07N020.4°0.0°
N01C03C05N020.0°0.0°
N01C03C05C06180.0°180.0°
N01C03C01H10.0°0.2°
C07N01C03C01179.6°179.9°
C07N01C03C050.2°0.0°
N01C07O01N02179.3°180.0°
N01C07N02C050.3°0.0°
N01C07N02C08180.0°180.0°
C03C01C02H1180.0°179.8°
C03C01C02CL3179.8°180.0°
C03C01C02C040.2°0.1°
C01C03C05N02179.8°180.0°
C01C03C05C060.2°0.0°
C01C03N01H180.4°0.1°
C01C02CL3C04180.0°180.0°
C02C01C03C050.2°0.0°
C01C02C04C060.2°0.0°
C01C02C04CL2179.9°180.0°
CL3C02C04C06179.8°180.0°
CL3C02C04CL20.1°0.0°
CL3C02C01H10.3°0.2°
C03C05N02C070.2°0.0°
C03C05N02C06180.0°180.0°
C03C05N02C08179.8°180.0°
C03C05C06C040.2°0.0°
C05C03C01H1179.8°179.8°
C03C05C06H2179.8°180.0°
C05C03N01H18179.8°180.0°
O01C07N02C05179.8°180.0°
O01C07N02C080.6°0.0°
O01C07N01H180.2°0.0°
C07N02C05C08179.6°180.0°
C07N02C05C06179.8°179.9°
C07N02C08C09120.8°60.0°
C07N02C08C10114.6°59.7°
C07N02C08H33.0°179.8°
N02C07N01H18179.6°180.0°
C02C04C06C050.2°0.0°
C02C04C06CL2179.9°180.0°
C04C02C01H1179.8°179.8°
C02C04C06H2179.8°180.0°
N02C05C06C04179.8°180.0°
C05N02C08C0958.8°120.0°
C05N02C08C1065.9°120.3°
N02C05C06H20.2°0.1°
C05N02C08H3176.5°0.2°
C06C05N02C080.2°0.1°
C05C06C04H2180.0°180.0°
C05C06C04CL2180.0°180.0°
N02C08C09C10126.0°119.9°
N02C08C09H3118.2°120.2°
N02C08C10H3118.0°120.2°
N02C08C09C11175.8°177.6°
N02C08C10C12172.9°177.5°
N02C08C09H455.7°62.5°
N02C08C09H564.1°57.6°
N02C08C10H667.2°57.6°
N02C08C10H753.0°62.5°
CL2C04C06H20.0°0.0°
C09C08C10H3115.8°120.0°
C08C09C11H4120.1°119.9°
C08C09C11H5120.1°120.0°
C09C08C10C1260.9°57.7°
C08C09C11N0352.1°59.2°
C08C09H4H5119.8°120.1°
C09C08C10H659.1°62.2°
C09C08C10H7179.2°177.6°
C08C09C11H868.4°60.8°
C08C09C11H9172.7°179.2°
C10C08C09C1158.1°57.7°
C08C10C12H6119.9°120.0°
C08C10C12H7119.9°120.0°
C08C10C12N0357.5°59.2°
C10C08C09H4178.2°177.6°
C10C08C09H561.9°62.3°
C08C10H6H7120.3°120.1°
C08C10C12H10177.8°179.2°
C08C10C12H1162.8°60.8°
C09C11N03H8120.5°120.0°
C09C11N03H9120.5°120.0°
C09C11N03C1250.0°61.8°
C09C11N03C13179.4°174.2°
C11C09C08H357.6°62.3°
C11C09H4H5119.8°120.1°
C09C11H8H9118.4°120.0°
C10C12N03C1152.6°61.7°
C10C12N03H10120.3°120.1°
C10C12N03H11120.3°120.0°
C10C12N03C13177.9°174.2°
C12C10C08H354.9°62.3°
C12C10H6H7120.3°120.1°
C10C12H10H11119.0°120.0°
C11N03C12C13129.5°124.1°
C11N03C13C1875.0°170.0°
N03C11C09H4172.2°179.1°
N03C11C09H567.9°60.8°
N03C11H8H9118.4°119.9°
C11N03C12H10172.9°178.2°
C11N03C12H1167.7°58.3°
C11N03C13H1246.1°50.1°
C11N03C13H13163.9°69.9°
C12N03C13C1855.3°65.8°
N03C12C10H662.4°60.8°
N03C12C10H7177.4°179.1°
C12N03C11H870.5°58.3°
C12N03C11H9170.6°178.2°
N03C12H10H11119.1°120.0°
C12N03C13H12176.4°174.2°
C12N03C13H1365.8°54.2°
C14C17C19H17180.0°180.0°
C17C14C18H14180.0°179.6°
C14C17C19CL1179.6°180.0°
C14C17C19C160.4°0.0°
C17C14C18C13178.8°179.7°
C17C14C18C153.6°0.3°
C19C17C14C182.1°0.1°
C17C19CL1C16180.0°180.0°
C17C19C16C150.3°0.2°
C19C17C14H14177.9°179.7°
C17C19C16H16179.7°179.7°
N03C13C18C1481.2°90.0°
N03C13C18H12121.1°120.0°
N03C13C18H13121.1°120.1°
N03C13C18C15103.7°90.0°
C13N03C11H858.9°65.8°
C13N03C11H960.0°54.2°
C13N03C12H1057.6°54.1°
C13N03C12H1161.8°65.8°
N03C13H12H13116.5°120.0°
C14C18C13C15175.1°180.0°
C14C18C15C163.5°0.5°
C14C18C13H1239.9°150.1°
C14C18C13H13157.7°30.1°
C14C18C15H15176.5°179.9°
C18C14C17H17177.9°180.0°
CL1C19C16C15179.7°179.8°
CL1C19C16H160.3°0.3°
CL1C19C17H170.4°0.0°
C19C16C15C181.9°0.5°
C19C16C15H16180.0°179.9°
C19C16C15H15178.1°180.0°
C16C19C17H17179.6°180.0°
C13C18C15C16178.9°179.5°
C18C13H12H13116.5°120.0°
C13C18C14H141.1°0.1°
C13C18C15H151.1°0.0°
C18C15C16H15180.0°179.5°
C15C18C13H12135.2°30.0°
C15C18C13H1317.4°150.0°
C15C18C14H14176.3°179.9°
C18C15C16H16178.1°179.4°
H3C08C09H462.4°57.6°
H3C08C09H5177.7°177.7°
H3C08C10H6174.8°177.8°
H3C08C10H765.0°57.7°
H4C09C11H851.6°59.1°
H4C09C11H967.3°60.9°
H5C09C11H8171.5°179.2°
H5C09C11H952.6°59.2°
H6C10C12H1057.9°59.2°
H6C10C12H11177.3°179.2°
H7C10C12H1062.3°60.8°
H7C10C12H1157.1°59.1°
H14C14C17H172.1°0.4°
H15C15C16H161.9°0.1°

221051

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