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I8P

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O11C1sing1.43Å1.43Å
C2C1sing1.53Å1.54Å
C1C6sing1.53Å1.54Å
C1H1sing1.09Å1.10Å
O12C2sing1.43Å1.44Å
C2C3sing1.53Å1.54Å
C2H2sing1.09Å1.10Å
O13C3sing1.43Å1.43Å
C3C4sing1.53Å1.52Å
C3H3sing1.09Å1.10Å
C4C5sing1.53Å1.53Å
C4O14sing1.43Å1.42Å
C4H4sing1.09Å1.10Å
C6C5sing1.53Å1.54Å
C5O15sing1.43Å1.41Å
C5H5sing1.09Å1.10Å
C6O16sing1.43Å1.41Å
C6H6sing1.09Å1.10Å
PA1O11sing1.61Å1.64Å
PA2O12sing1.61Å1.65Å
O13PA3sing1.61Å1.64Å
O14PA4sing1.61Å1.64Å
O15PA5sing1.61Å1.61Å
PA6O16sing1.61Å1.62Å
O21PA1doub1.48Å1.49Å
O22PA2sing1.61Å1.59Å
O22HO22sing0.97Å0.95Å
PA3O23sing1.61Å1.61Å
O23HO23sing0.97Å0.95Å
O24PA4sing1.61Å1.62Å
O24HO24sing0.97Å0.95Å
PA5O25doub1.48Å1.48Å
PA6O26sing1.61Å1.62Å
O26HO26sing0.97Å0.95Å
O31PA1sing1.61Å1.47Å
O31HO31sing0.97Å0.95Å
O32PA2doub1.48Å1.48Å
O33PA3doub1.48Å1.60Å
O34PA4doub1.48Å1.59Å
PA5O35sing1.61Å1.49Å
O35HO35sing0.97Å0.95Å
PA6O36sing1.61Å1.64Å
O36HO36sing0.97Å0.95Å
PA1O41sing1.61Å1.64Å
O41PB1sing1.61Å1.68Å
PA2O42sing1.61Å1.59Å
O42HO42sing0.97Å0.95Å
O43PA3sing1.61Å1.51Å
O43HO43sing0.97Å0.95Å
PA4O44sing1.61Å1.50Å
O44HO44sing0.97Å0.95Å
O45PA5sing1.61Å1.60Å
O45PB5sing1.61Å1.61Å
O46PA6doub1.48Å1.49Å
O51PB1sing1.61Å1.63Å
O51HO51sing0.97Å0.95Å
O55PB5doub1.48Å1.65Å
O61PB1doub1.48Å1.66Å
O65PB5sing1.61Å1.64Å
O65HO65sing0.97Å0.95Å
PB1O71sing1.61Å1.50Å
O71HO71sing0.97Å0.95Å
PB5O75sing1.61Å1.49Å
O75HO75sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O11C1C2110.3°109.5°
O11C1C6111.0°109.5°
O11C1H1108.4°109.5°
C1O11PA1123.2°123.0°
C2C1C6111.0°109.5°
C2C1H1108.3°109.5°
C1C2O12110.1°109.5°
C1C2C3109.5°109.5°
C1C2H2109.3°109.5°
C6C1H1107.7°109.4°
C1C6C5111.9°109.4°
C1C6O16109.7°109.5°
C1C6H6106.4°109.4°
O12C2C3110.2°109.5°
O12C2H2108.5°109.5°
C2O12PA2119.7°123.0°
C3C2H2109.2°109.4°
C2C3O13110.8°109.5°
C2C3C4110.8°109.5°
C2C3H3107.6°109.5°
O13C3C4109.5°109.5°
O13C3H3109.0°109.5°
C3O13PA3118.9°123.0°
C4C3H3109.0°109.4°
C3C4C5111.3°109.4°
C3C4O14107.7°109.5°
C3C4H4109.2°109.5°
C5C4O14108.4°109.5°
C5C4H4108.4°109.5°
C4C5C6115.1°109.5°
C4C5O15108.0°109.4°
C4C5H5105.9°109.5°
O14C4H4112.0°109.5°
C4O14PA4124.7°123.0°
C6C5O15107.0°109.4°
C6C5H5106.9°109.5°
C5C6O16105.2°109.5°
C5C6H6110.8°109.5°
O15C5H5114.1°109.5°
C5O15PA5122.3°123.0°
O16C6H6113.0°109.5°
C6O16PA6122.2°123.0°
O11PA1O21107.7°109.5°
O11PA1O31107.4°109.5°
O11PA1O41104.9°109.5°
O12PA2O22105.1°109.5°
O12PA2O32113.1°109.5°
O12PA2O42107.3°109.5°
O13PA3O23102.7°109.4°
O13PA3O33104.2°109.5°
O13PA3O43111.6°109.5°
O14PA4O24105.8°109.5°
O14PA4O34107.1°109.5°
O14PA4O44110.6°109.5°
O15PA5O25112.7°109.4°
O15PA5O35105.3°109.5°
O15PA5O4598.1°109.5°
O16PA6O26107.1°109.5°
O16PA6O36104.9°109.5°
O16PA6O46109.1°109.5°
O21PA1O31118.9°109.5°
O21PA1O41104.3°109.5°
PA2O22HO22109.5°114.0°
O22PA2O32112.7°109.5°
O22PA2O42106.8°109.5°
PA3O23HO23109.5°114.0°
O23PA3O33107.0°109.5°
O23PA3O43115.5°109.5°
PA4O24HO24109.5°114.0°
O24PA4O34103.6°109.5°
O24PA4O44113.6°109.4°
O25PA5O35120.0°109.5°
O25PA5O45107.3°109.5°
PA6O26HO26109.5°114.0°
O26PA6O36106.3°109.5°
O26PA6O46114.6°109.5°
PA1O31HO31109.5°114.0°
O31PA1O41112.8°109.4°
O32PA2O42111.4°109.5°
O33PA3O43114.7°109.4°
O34PA4O44115.5°109.5°
PA5O35HO35109.5°114.0°
O35PA5O45111.2°109.5°
PA6O36HO36109.5°114.0°
O36PA6O46114.2°109.5°
PA1O41PB1135.8°134.0°
O41PB1O5196.0°109.5°
O41PB1O61115.4°109.5°
O41PB1O71112.7°109.5°
PA2O42HO42109.5°114.0°
PA3O43HO43109.5°114.1°
PA4O44HO44109.5°114.0°
PA5O45PB5121.7°134.0°
O45PB5O55105.9°109.5°
O45PB5O65103.3°109.5°
O45PB5O75114.3°109.5°
PB1O51HO51109.5°113.9°
O51PB1O61108.3°109.4°
O51PB1O71113.2°109.5°
O55PB5O65109.1°109.5°
O55PB5O75113.5°109.5°
O61PB1O71110.4°109.5°
PB5O65HO65109.5°114.0°
O65PB5O75110.1°109.5°
PB1O71HO71109.5°114.0°
PB5O75HO75109.5°114.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O11C1C2C6123.5°120.0°
O11C1C2H1118.5°120.0°
O11C1C6H1118.4°120.0°
O11C1C2O1261.6°60.0°
O11C1C2C3177.2°180.0°
O11C1C2H257.6°60.0°
O11C1C6C5175.0°180.0°
O11C1C6O1668.7°60.0°
O11C1C6H653.8°60.0°
C1O11PA1O2187.9°55.0°
C1O11PA1O31142.9°65.0°
C1O11PA1O4122.7°175.0°
C2C1C6H1118.4°120.0°
C1C2O12C3120.8°120.0°
C1C2O12H2119.6°120.0°
C1C2C3H2119.6°120.0°
C1C2C3O13176.9°180.0°
C1C2C3C461.3°60.0°
C1C2C3H357.8°60.0°
C2C1C6C551.9°60.0°
C2C1C6O16168.2°180.0°
C2C1C6H669.3°60.0°
C2C1O11PA184.4°120.0°
C1C2O12PA2114.7°120.0°
C6C1C2O1261.9°60.0°
C6C1C2C359.4°60.0°
C6C1C2H2178.9°180.0°
C1C6C5C447.0°60.0°
C1C6C5O16119.0°120.0°
C1C6C5H6118.6°119.9°
C1C6C5O15167.0°180.0°
C1C6C5H570.4°60.1°
C1C6O16H6118.5°120.0°
C6C1O11PA1152.1°120.0°
C1C6O16PA6108.4°120.0°
H1C1C2O12180.0°180.0°
H1C1C2C358.7°60.0°
H1C1C2H260.9°60.0°
H1C1C6C566.6°60.0°
H1C1C6O1649.8°60.0°
H1C1C6H6172.3°180.0°
H1C1O11PA134.1°0.0°
O12C2C3H2119.1°120.0°
O12C2C3O1361.8°60.0°
O12C2C3C459.9°60.0°
O12C2C3H3179.0°180.0°
C2O12PA2O22148.0°65.0°
C2O12PA2O3224.6°55.0°
C2O12PA2O4298.6°175.0°
C2C3O13C4122.6°120.0°
C2C3O13H3118.3°120.0°
C2C3C4H3118.3°120.0°
C2C3C4C555.3°60.0°
C2C3C4O14174.0°180.0°
C2C3C4H464.3°60.0°
C3C2O12PA2124.5°120.0°
C2C3O13PA3108.6°120.0°
H2C2C3O1357.3°60.0°
H2C2C3C4179.0°180.0°
H2C2C3H361.8°60.0°
H2C2O12PA24.9°0.0°
O13C3C4H3119.2°120.0°
O13C3C4C5177.8°180.0°
O13C3C4O1463.5°60.0°
O13C3C4H458.2°60.0°
C3O13PA3O2366.8°65.0°
C3O13PA3O3344.6°55.0°
C3O13PA3O43168.9°175.0°
C3C4C5O14118.2°120.0°
C3C4C5H4120.0°120.0°
C3C4O14H4120.0°120.0°
C3C4C5C648.6°60.0°
C3C4C5O15168.1°180.0°
C3C4C5H569.3°60.0°
C4C3O13PA3128.8°120.0°
C3C4O14PA4105.2°120.0°
H3C3C4C563.0°60.0°
H3C3C4O1455.7°60.0°
H3C3C4H4177.4°180.0°
H3C3O13PA39.7°0.0°
C5C4O14H4119.5°120.0°
C4C5C6O15120.0°120.0°
C4C5C6H5117.3°120.1°
C4C5O15H5117.5°120.0°
C4C5C6O16166.0°180.0°
C4C5C6H671.6°59.9°
C5C4O14PA4134.3°120.0°
C4C5O15PA599.7°120.0°
O14C4C5C6166.8°180.0°
O14C4C5O1573.7°60.0°
O14C4C5H549.0°60.0°
C4O14PA4O2493.0°175.0°
C4O14PA4O3417.0°55.0°
C4O14PA4O44143.6°65.1°
H4C4C5C671.4°59.9°
H4C4C5O1548.0°60.0°
H4C4C5H5170.7°180.0°
H4C4O14PA414.8°0.0°
C6C5O15H5118.1°120.0°
C5C6O16H6121.0°120.1°
C6C5O15PA5135.9°120.0°
C5C6O16PA6131.1°120.0°
O15C5C6O1674.0°60.0°
O15C5C6H648.4°60.0°
C5O15PA5O2516.5°55.0°
C5O15PA5O35116.1°65.0°
C5O15PA5O45129.2°175.0°
H5C5C6O1648.7°60.0°
H5C5C6H6171.1°180.0°
H5C5O15PA517.8°0.0°
C6O16PA6O26155.3°65.0°
C6O16PA6O3642.6°175.0°
C6O16PA6O4680.1°55.0°
H6C6O16PA610.1°0.0°
O11PA1O21O31122.3°120.0°
O11PA1O21O41111.0°120.0°
O11PA1O31O41115.1°120.0°
O11PA1O31HO31122.5°59.9°
O11PA1O41PB1113.1°165.0°
O12PA2O22O32123.6°120.0°
O12PA2O22O42113.7°120.0°
O12PA2O22HO22123.6°60.0°
O12PA2O32O42120.9°120.0°
O12PA2O42HO42124.3°180.0°
O13PA3O23O33109.4°120.0°
O13PA3O23O43121.7°120.0°
O13PA3O23HO23109.4°60.0°
O13PA3O33O43122.3°120.0°
O13PA3O43HO43118.2°180.0°
O14PA4O24O34112.5°120.0°
O14PA4O24O44121.5°120.0°
O14PA4O24HO24112.5°180.0°
O14PA4O34O44123.6°120.0°
O14PA4O44HO44121.7°60.0°
O15PA5O25O35124.9°120.0°
O15PA5O25O45106.9°120.0°
O15PA5O35O45105.2°120.0°
O15PA5O35HO35128.3°60.0°
O15PA5O45PB5122.2°160.0°
O16PA6O26O36111.7°120.0°
O16PA6O26O46121.2°120.0°
O16PA6O26HO26121.2°60.0°
O16PA6O36O46119.4°120.0°
O16PA6O36HO36119.4°180.0°
O21PA1O31O41122.5°120.0°
O21PA1O31HO310.0°180.0°
O21PA1O41PB1133.8°45.0°
O22PA2O32O42120.0°120.0°
O22PA2O42HO42123.5°60.0°
HO22O22PA2O320.0°180.0°
HO22O22PA2O42122.7°59.9°
O23PA3O33O43129.4°120.0°
O23PA3O43HO43125.0°60.0°
HO23O23PA3O330.0°180.0°
HO23O23PA3O43128.9°60.0°
O24PA4O34O44124.8°120.0°
O24PA4O44HO44119.5°60.0°
HO24O24PA4O340.0°60.0°
HO24O24PA4O44126.1°60.0°
O25PA5O35O45126.4°120.0°
O25PA5O35HO350.0°179.9°
O25PA5O45PB5120.9°40.0°
O26PA6O36O46127.4°120.0°
O26PA6O36HO36127.4°60.0°
HO26O26PA6O36127.1°60.0°
HO26O26PA6O460.0°180.0°
O31PA1O41PB13.5°75.0°
HO31O31PA1O41122.5°60.0°
O32PA2O42HO420.0°60.0°
O33PA3O43HO430.0°60.0°
O34PA4O44HO440.0°180.0°
O35PA5O45PB512.2°80.0°
HO35O35PA5O45126.4°60.0°
HO36O36PA6O460.0°60.0°
PA1O41PB1O51132.7°74.9°
PA1O41PB1O6119.1°45.0°
PA1O41PB1O71109.1°165.0°
O41PB1O51O61119.3°120.0°
O41PB1O51O71117.9°120.1°
O41PB1O51HO51119.3°60.1°
O41PB1O61O71129.3°120.0°
O41PB1O71HO71130.7°180.0°
PA5O45PB5O5572.0°40.0°
PA5O45PB5O65173.4°80.0°
PA5O45PB5O7553.7°160.0°
O45PB5O55O65110.6°120.0°
O45PB5O55O75126.2°120.0°
O45PB5O65O75122.5°120.0°
O45PB5O65HO65112.3°60.0°
O45PB5O75HO75121.6°180.0°
O51PB1O61O71124.5°120.0°
O51PB1O71HO71121.6°60.0°
HO51O51PB1O610.0°180.0°
HO51O51PB1O71122.8°60.0°
O55PB5O65O75125.2°120.0°
O55PB5O65HO650.0°179.9°
O55PB5O75HO750.0°60.0°
O61PB1O71HO710.0°60.0°
O65PB5O75HO75122.6°60.0°
HO65O65PB5O75125.2°60.0°

246704

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