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4J6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAFSBAdoub1.42Å1.50Å
NAPSBAsing1.66Å1.69Å
NAPCALsing1.47Å1.48Å
SBANACsing1.66Å1.63Å
SBAOAGdoub1.42Å1.50Å
CAVNAOsing1.49Å1.50Å
CAVCALsing1.53Å1.56Å
CAVCAMsing1.55Å1.53Å
NAOCAKsing1.48Å1.48Å
CAKCAWsing1.54Å1.52Å
CAMCAWsing1.55Å1.53Å
OAHCARdoub1.22Å1.24Å
CAWSAQsing1.81Å1.82Å
CAROAEsing1.35Å1.25Å
CARCASsing1.41Å1.52Å
SAQCAZsing1.76Å1.83Å
CASCAZdoub1.35Å1.35Å
CASNANsing1.40Å1.44Å
CAZCAUsing1.51Å1.53Å
NANCAYsing1.47Å1.47Å
CAUCAYsing1.54Å1.57Å
CAUCABsing1.53Å1.53Å
CAYCAXsing1.53Å1.53Å
CAJCAXsing1.51Å1.52Å
CAJOADdoub1.21Å1.31Å
CAXCATsing1.53Å1.53Å
OAICATsing1.43Å1.41Å
CATCAAsing1.53Å1.54Å
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CABH4sing1.09Å1.10Å
CABH5sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
NACH7sing0.97Å1.00Å
NACH8sing0.97Å1.00Å
OAEH10sing0.97Å0.95Å
OAIH11sing0.97Å0.95Å
CAJH12sing1.08Å1.08Å
CAKH14sing1.09Å1.10Å
CAKH15sing1.09Å1.10Å
CALH16sing1.09Å1.10Å
CALH17sing1.09Å1.10Å
CAMH18sing1.09Å1.10Å
CAMH19sing1.09Å1.10Å
NANH20sing0.97Å1.00Å
NAOH21sing1.01Å1.00Å
NAPH23sing0.97Å1.00Å
CATH24sing1.09Å1.10Å
CAUH25sing1.09Å1.10Å
CAVH26sing1.09Å1.10Å
CAWH27sing1.09Å1.10Å
CAXH28sing1.09Å1.10Å
CAYH29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAFSBANAP108.2°106.4°
OAFSBANAC109.1°106.4°
OAFSBAOAG111.9°123.1°
SBANAPCAL112.6°120.0°
NAPSBANAC109.7°107.3°
NAPSBAOAG109.4°106.4°
SBANAPH23108.7°120.1°
NAPCALCAV111.0°109.5°
NAPCALH16109.1°109.4°
NAPCALH17109.1°109.5°
CALNAPH23108.7°120.0°
NACSBAOAG108.5°106.4°
SBANACH7109.5°120.0°
SBANACH8109.5°120.0°
NAOCAVCAL111.4°110.7°
NAOCAVCAM106.5°103.2°
CAVNAOCAK106.6°105.8°
CAVNAOH21110.2°111.0°
NAOCAVH26110.0°110.6°
CALCAVCAM110.1°110.7°
CAVCALH16109.1°109.5°
CAVCALH17109.1°109.5°
CALCAVH26109.2°110.6°
CAVCAMCAW104.1°102.9°
CAVCAMH18110.8°110.7°
CAVCAMH19110.8°110.9°
CAMCAVH26109.5°110.8°
NAOCAKCAW104.0°107.1°
NAOCAKH14110.8°110.0°
NAOCAKH15110.8°110.1°
CAKNAOH21110.2°111.0°
CAKCAWCAM102.6°105.2°
CAKCAWSAQ111.3°110.3°
CAWCAKH14110.8°109.9°
CAWCAKH15110.9°109.9°
CAKCAWH27112.5°110.3°
CAMCAWSAQ109.4°110.3°
CAWCAMH18110.8°110.7°
CAWCAMH19110.8°110.8°
CAMCAWH27112.3°110.3°
OAHCAROAE119.9°120.0°
OAHCARCAS121.6°120.0°
CAWSAQCAZ102.7°100.0°
SAQCAWH27108.6°110.4°
OAECARCAS118.4°120.0°
CAROAEH10109.5°114.0°
CARCASCAZ129.2°123.6°
CARCASNAN119.5°123.7°
SAQCAZCAS128.0°125.6°
SAQCAZCAU121.9°125.6°
CAZCASNAN111.3°112.7°
CASCAZCAU108.1°108.8°
CASNANCAY108.7°109.2°
CASNANH20109.7°125.3°
CAZCAUCAY102.8°104.6°
CAZCAUCAB110.6°110.7°
CAZCAUH25109.8°110.1°
NANCAYCAU102.0°104.6°
NANCAYCAX107.8°110.4°
CAYNANH20109.6°125.4°
NANCAYH29110.6°110.3°
CAYCAUCAB114.2°110.4°
CAUCAYCAX117.0°110.4°
CAYCAUH25109.3°110.4°
CAUCAYH29109.3°110.4°
CAUCABH4109.5°109.5°
CAUCABH5109.4°109.5°
CAUCABH6109.4°109.4°
CABCAUH25109.9°110.4°
CAYCAXCAJ108.4°109.5°
CAYCAXCAT110.2°109.5°
CAYCAXH28109.1°109.4°
CAXCAYH29109.7°110.5°
CAXCAJOAD120.2°120.0°
CAJCAXCAT110.8°109.5°
CAXCAJH12119.9°120.0°
CAJCAXH28109.3°109.5°
OADCAJH12119.9°120.0°
CAXCATOAI106.6°109.5°
CAXCATCAA113.8°109.5°
CAXCATH24108.3°109.5°
CATCAXH28109.1°109.5°
OAICATCAA109.9°109.5°
CATOAIH11109.5°114.0°
OAICATH24110.0°109.5°
CATCAAH1109.5°109.5°
CATCAAH2109.5°109.5°
CATCAAH3109.5°109.5°
CAACATH24108.2°109.4°
H1CAAH2109.5°109.5°
H1CAAH3109.5°109.5°
H2CAAH3109.5°109.4°
H4CABH5109.5°109.5°
H4CABH6109.5°109.4°
H5CABH6109.5°109.5°
H7NACH8109.5°120.0°
H14CAKH15109.5°109.9°
H16CALH17109.5°109.5°
H18CAMH19109.5°110.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAFSBANAPNAC118.9°113.6°
OAFSBANAPOAG122.1°132.9°
OAFSBANAPCAL157.2°48.5°
OAFSBANACOAG122.1°132.9°
OAFSBANACH7180.0°6.4°
OAFSBANACH860.0°173.5°
OAFSBANAPH2382.3°131.5°
SBANAPCALH23120.5°180.0°
NAPSBANACOAG119.5°113.5°
SBANAPCALCAV158.6°165.0°
NAPSBANACH761.6°120.0°
NAPSBANACH8178.4°59.9°
SBANAPCALH1638.4°75.0°
SBANAPCALH1781.2°45.0°
CALNAPSBANAC83.8°65.0°
CALNAPSBAOAG35.2°178.5°
NAPCALCAVNAO72.9°56.4°
NAPCALCAVH16120.3°119.9°
NAPCALCAVH17120.2°120.0°
NAPCALCAVCAM169.2°170.3°
NAPCALH16H17119.3°120.0°
NAPCALCAVH2648.8°66.6°
SBANACH7H8120.0°179.9°
NACSBANAPH2336.6°115.0°
OAGSBANACH757.9°126.4°
OAGSBANACH862.1°53.6°
OAGSBANAPH23155.6°1.4°
NAOCAVCALCAM118.0°113.8°
NAOCAVCALH26121.7°123.0°
NAOCAVCAMH26118.9°118.4°
CAVNAOCAKH21119.5°120.5°
CAVNAOCAKCAW32.7°25.3°
NAOCAVCAMCAW13.7°37.4°
CAVNAOCAKH1486.4°94.0°
CAVNAOCAKH15151.8°144.7°
NAOCAVCALH1647.4°63.5°
NAOCAVCALH17166.9°176.4°
NAOCAVCAMH18132.9°80.9°
NAOCAVCAMH19105.4°155.8°
CALCAVCAMH26120.1°123.1°
CALCAVNAOCAK131.6°157.7°
CALCAVCAMCAW107.2°155.9°
CAVCALH16H17119.3°120.1°
CALCAVCAMH1811.9°37.6°
CALCAVCAMH19133.7°85.7°
CALCAVNAOH21108.9°81.8°
CAVCALNAPH2381.0°15.0°
CAMCAVNAOCAK11.5°39.2°
CAVCAMCAWCAK33.1°21.9°
CAVCAMCAWH18119.2°118.3°
CAVCAMCAWH19119.1°118.6°
CAVCAMCAWSAQ85.2°140.9°
CAMCAVCALH1670.6°50.4°
CAMCAVCALH1748.9°69.7°
CAVCAMH18H19122.5°123.4°
CAMCAVNAOH21131.1°159.7°
CAVCAMCAWH27154.2°97.0°
NAOCAKCAWH14119.1°119.4°
NAOCAKCAWH15119.1°119.5°
NAOCAKCAWCAM40.8°1.3°
NAOCAKCAWSAQ76.1°117.7°
NAOCAKH14H15122.5°121.4°
CAKNAOCAVH26107.1°79.4°
NAOCAKCAWH27161.7°120.1°
CAKCAWCAMSAQ118.3°118.9°
CAKCAWCAMH27121.1°118.9°
CAKCAWSAQH27124.4°122.1°
CAKCAWSAQCAZ51.1°69.8°
CAWCAKH14H15122.6°121.1°
CAKCAWCAMH18152.3°96.4°
CAKCAWCAMH1986.0°140.5°
CAWCAKNAOH21152.2°145.8°
CAMCAWSAQH27122.9°122.1°
CAMCAWSAQCAZ163.8°174.5°
CAMCAWCAKH1478.3°118.1°
CAMCAWCAKH15159.9°120.8°
CAWCAMH18H19122.5°123.2°
CAWCAMCAVH26132.6°81.1°
OAHCAROAECAS178.9°179.9°
OAHCARCASCAZ8.7°5.2°
OAHCARCASNAN170.7°174.8°
OAHCAROAEH100.0°0.1°
CAWSAQCAZCAS116.2°118.1°
CAWSAQCAZCAU81.7°62.3°
SAQCAWCAKH14164.8°122.9°
SAQCAWCAKH1543.0°1.8°
SAQCAWCAMH1834.0°22.6°
SAQCAWCAMH19155.7°100.5°
OAECARCASCAZ172.5°174.7°
OAECARCASNAN8.1°5.3°
CARCASCAZSAQ10.3°0.0°
CARCASCAZNAN179.5°180.0°
CARCASCAZCAU174.3°179.7°
CARCASNANCAY167.8°180.0°
CASCAROAEH10178.8°180.0°
CARCASNANH2048.0°0.3°
SAQCAZCASCAU164.0°179.7°
SAQCAZCASNAN170.3°180.0°
SAQCAZCAUCAY174.6°179.9°
SAQCAZCAUCAB63.1°61.1°
SAQCAZCAUH2558.3°61.2°
CAZSAQCAWH2773.3°52.4°
CAZCASNANCAY11.7°0.0°
CASCAZCAUCAY20.2°0.4°
CASCAZCAUCAB102.1°118.6°
CAZCASNANH20131.6°179.7°
CASCAZCAUH25136.5°119.1°
NANCASCAZCAU6.2°0.3°
CASNANCAYH20119.9°179.7°
CASNANCAYCAU23.4°0.3°
CASNANCAYCAX147.2°119.1°
CASNANCAYH2992.8°118.5°
CAZCAUCAYNAN25.7°0.4°
CAZCAUCAYCAB119.9°119.2°
CAZCAUCAYH25116.6°118.5°
CAZCAUCABH25121.4°122.2°
CAZCAUCAYCAX143.1°119.2°
CAZCAUCABH4180.0°46.1°
CAZCAUCABH560.0°74.0°
CAZCAUCABH660.0°166.0°
CAZCAUCAYH2991.5°118.3°
NANCAYCAUCAX117.4°118.8°
NANCAYCAUH29117.2°118.7°
NANCAYCAUCAB94.2°118.8°
NANCAYCAXH29120.6°122.3°
NANCAYCAXCAJ34.4°53.0°
NANCAYCAXCAT155.8°67.0°
NANCAYCAUH25142.3°118.9°
NANCAYCAXH2884.5°173.0°
CAYCAUCABH25123.3°122.4°
CAUCAYCAXH29125.2°122.4°
CAUCAYCAXCAJ148.6°62.2°
CAUCAYCAXCAT90.0°177.8°
CAYCAUCABH464.6°69.3°
CAYCAUCABH555.4°170.6°
CAYCAUCABH6175.4°50.6°
CAUCAYNANH20143.3°180.0°
CAUCAYCAXH2829.7°57.8°
CABCAUCAYCAX23.2°0.0°
CAUCABH4H5120.0°120.1°
CAUCABH4H6120.0°119.9°
CAUCABH5H6120.0°120.0°
CABCAUCAYH29148.6°122.5°
CAYCAXCAJCAT121.0°120.0°
CAYCAXCAJH28118.8°120.0°
CAYCAXCAJOAD98.6°126.9°
CAYCAXCATH28119.7°120.0°
CAYCAXCATOAI55.9°60.0°
CAYCAXCATCAA177.2°180.0°
CAYCAXCAJH1281.4°53.2°
CAXCAYNANH2092.9°61.2°
CAYCAXCATH2462.4°60.0°
CAXCAYCAUH25100.3°122.4°
CAXCAJOADH12180.0°179.9°
CAJCAXCATH28120.3°120.0°
CAJCAXCATOAI175.9°180.0°
CAJCAXCATCAA62.9°60.0°
CAJCAXCATH2457.5°60.0°
CAJCAXCAYH2986.2°175.3°
OADCAJCAXCAT140.4°113.1°
OADCAJCAXH2820.2°6.9°
CAXCATOAICAA123.7°120.0°
CAXCATOAIH24117.3°120.0°
CAXCATCAAH24120.5°120.0°
CAXCATCAAH1180.0°180.0°
CAXCATCAAH260.0°60.0°
CAXCATCAAH360.0°60.0°
CAXCATOAIH11180.0°60.1°
CATCAXCAJH1239.6°66.8°
CATCAXCAYH2935.2°55.3°
OAICATCAAH24120.1°120.0°
OAICATCAAH160.6°60.0°
OAICATCAAH2179.4°180.0°
OAICATCAAH359.5°60.0°
OAICATCAXH2863.8°60.0°
CATCAAH1H2120.0°120.0°
CATCAAH1H3120.0°120.0°
CATCAAH2H3120.0°119.9°
CAACATOAIH1156.3°60.0°
CAACATCAXH2857.5°60.0°
H1CAAH2H3120.0°120.0°
H1CAACATH2459.5°60.0°
H2CAACATH2460.5°60.0°
H3CAACATH24179.6°179.9°
H4CABH5H6120.0°120.0°
H4CABCAUH2558.7°168.3°
H5CABCAUH25178.6°48.2°
H6CABCAUH2561.4°71.8°
H11OAICATH2462.7°179.9°
H12CAJCAXH28159.8°173.2°
H14CAKNAOH2133.1°26.5°
H14CAKCAWH2742.6°0.7°
H15CAKNAOH2188.7°94.8°
H15CAKCAWH2779.2°120.3°
H16CALNAPH23158.8°105.0°
H16CALCAVH26169.1°173.5°
H17CALNAPH2339.3°135.0°
H17CALCAVH2671.4°53.4°
H18CAMCAVH26108.2°160.6°
H18CAMCAWH2786.7°144.7°
H19CAMCAVH2613.5°37.4°
H19CAMCAWH2735.1°21.6°
H20NANCAYH2927.1°61.2°
H21NAOCAVH2612.4°41.1°
H24CATCAXH28177.9°180.0°
H25CAUCAYH2925.1°0.1°
H28CAXCAYH29155.0°64.7°

224931

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