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CD7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAKCASsing1.55Å1.53Å
CAKNAMsing1.49Å1.48Å
CASCAIsing1.55Å1.47Å
CASCAQsing1.51Å1.55Å
NAMCAFsing1.48Å1.52Å
CAICAFsing1.54Å1.60Å
OCdoub1.21Å1.24Å
CAQOACdoub1.21Å1.22Å
CAQNANsing1.35Å1.35Å
NANNAOsing1.40Å1.33Å
CNAOsing1.35Å1.37Å
CCAsing1.51Å1.44Å
CALNsing1.47Å1.48Å
CALCAPsing1.51Å1.45Å
NCAsing1.47Å1.46Å
NCAEsing1.35Å1.35Å
CACBsing1.53Å1.54Å
CAEOABdoub1.21Å1.24Å
CAPNAAdoub1.28Å1.32Å
CAPCAHsing1.51Å1.41Å
CAHCBsing1.53Å1.47Å
CAEH1sing1.08Å1.08Å
CALH2sing1.09Å1.10Å
CALH3sing1.09Å1.10Å
NAAH4sing0.97Å1.00Å
CAHH5sing1.09Å1.10Å
CAHH6sing1.09Å1.10Å
CBH7sing1.09Å1.10Å
CBH8sing1.09Å1.10Å
CAH9sing1.09Å1.10Å
NAOH10sing0.97Å1.00Å
NANH11sing0.97Å1.00Å
CASH12sing1.09Å1.10Å
CAIH13sing1.09Å1.10Å
CAIH14sing1.09Å1.10Å
CAFH15sing1.09Å1.10Å
CAFH16sing1.09Å1.10Å
NAMO1sing1.46Å1.02Å
CAKH19sing1.09Å1.10Å
CAKH20sing1.09Å1.10Å
O1S1sing1.52Å15.81Å
S1O3doub1.42Å0.00Å
S1O2doub1.42Å0.00Å
S1O4sing1.52Å0.00Å
O4H17sing0.97Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CASCAKNAM104.0°103.2°
CAKCASCAI101.7°102.9°
CAKCASCAQ112.7°110.7°
CAKCASH12110.1°110.8°
CASCAKH19110.8°110.7°
CASCAKH20110.8°110.7°
CAKNAMCAF104.5°105.8°
CAKNAMO1111.2°111.0°
NAMCAKH19110.8°110.7°
NAMCAKH20110.8°110.6°
CAICASCAQ111.6°110.8°
CASCAICAF99.4°105.2°
CAICASH12110.8°110.7°
CASCAIH13111.9°110.3°
CASCAIH14111.9°110.3°
CASCAQOAC122.6°120.0°
CASCAQNAN115.5°120.0°
CAQCASH12109.8°110.7°
NAMCAFCAI105.9°107.1°
NAMCAFH15110.4°109.9°
NAMCAFH16110.4°110.1°
CAFNAMO1111.1°111.0°
CAFCAIH13112.0°110.3°
CAFCAIH14111.9°110.4°
CAICAFH15110.4°109.9°
CAICAFH16110.3°109.9°
OCNAO123.4°120.0°
OCCA120.9°120.0°
OACCAQNAN121.9°120.0°
CAQNANNAO118.6°120.0°
CAQNANH11120.7°120.0°
NANNAOC118.1°120.0°
NANNAOH10121.0°120.0°
NAONANH11120.7°120.0°
NAOCCA115.7°120.0°
CNAOH10120.9°120.0°
CCAN116.1°109.5°
CCACB116.8°109.3°
CCAH9108.6°109.5°
NCALCAP102.0°107.6°
CALNCA120.8°118.6°
CALNCAE120.0°120.7°
NCALH2111.3°109.8°
NCALH3111.3°109.8°
CALCAPNAA120.2°121.0°
CALCAPCAH126.5°118.0°
CAPCALH2111.3°109.8°
CAPCALH3111.3°109.9°
CANCAE119.1°120.7°
NCACB98.8°109.3°
NCAH9108.5°109.5°
NCAEOAB123.4°120.0°
NCAEH1118.3°120.0°
CACBCAH112.5°109.4°
CACBH7108.7°109.5°
CACBH8108.7°109.5°
CBCAH9107.4°109.7°
OABCAEH1118.3°120.0°
NAACAPCAH113.3°121.0°
CAPNAAH4112.0°120.0°
CAPCAHCB114.8°108.7°
CAPCAHH5108.1°109.6°
CAPCAHH6108.1°109.6°
CBCAHH5108.1°109.6°
CBCAHH6108.1°109.6°
CAHCBH7108.7°109.5°
CAHCBH8108.7°109.5°
H2CALH3109.4°109.8°
H5CAHH6109.5°109.7°
H7CBH8109.5°109.5°
H13CAIH14109.5°110.3°
H15CAFH16109.5°109.9°
NAMO1S1154.9°114.0°
H19CAKH20109.4°110.8°
O1S1O390.0°106.4°
O1S1O290.0°106.4°
O1S1O490.0°107.2°
O3S1O290.0°123.2°
O3S1O490.0°106.4°
O2S1O490.0°106.4°
S1O4H1790.0°114.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CASCAKNAMH19119.1°118.5°
CASCAKNAMH20119.1°118.4°
CAKCASCAICAQ120.3°118.4°
CAKCASCAIH12117.0°118.5°
CAKCASCAQH12123.1°123.3°
CASCAKNAMCAF29.3°39.2°
CAKCASCAICAF45.5°21.9°
CAKCASCAQOAC4.9°113.5°
CAKCASCAQNAN174.8°66.5°
CAKCASCAIH13163.8°97.0°
CAKCASCAIH1472.9°140.9°
CASCAKNAMO190.7°159.7°
CASCAKH19H20122.6°123.1°
NAMCAKCASCAI49.2°37.4°
NAMCAKCASCAQ70.3°155.8°
CAKNAMCAFO1120.0°120.5°
CAKNAMCAFCAI1.0°25.3°
NAMCAKCASH12166.7°81.0°
CAKNAMCAFH15118.4°94.0°
CAKNAMCAFH16120.4°144.8°
NAMCAKH19H20122.5°123.1°
CAKNAMO1S129.0°122.7°
CAICASCAQH12123.3°123.2°
CASCAICAFNAM28.3°1.2°
CASCAICAFH13118.3°118.9°
CASCAICAFH14118.3°119.0°
CAICASCAQOAC108.7°0.0°
CAICASCAQNAN71.6°180.0°
CASCAIH13H14124.7°122.1°
CASCAICAFH15147.7°118.1°
CASCAICAFH1691.1°120.8°
CAICASCAKH1969.9°155.8°
CAICASCAKH20168.3°81.0°
CAQCASCAICAF74.8°140.3°
CASCAQOACNAN179.7°180.0°
CASCAQNANNAO167.0°180.0°
CASCAQNANH1113.0°0.0°
CAQCASCAIH1343.5°21.4°
CAQCASCAIH14166.8°100.7°
CAQCASCAKH19170.6°85.8°
CAQCASCAKH2048.8°37.4°
NAMCAFCAIH15119.4°119.4°
NAMCAFCAIH16119.4°119.6°
NAMCAFCAIH13146.6°120.1°
NAMCAFCAIH1490.0°117.7°
NAMCAFH15H16121.7°121.4°
CAFNAMCAKH1989.8°157.6°
CAFNAMCAKH20148.5°79.2°
CAFNAMO1S186.9°119.9°
CAFCAICASH12162.4°96.6°
CAFCAIH13H14124.7°122.2°
CAICAFH15H16121.6°121.1°
CAICAFNAMO1119.0°145.9°
OCNAONAN12.2°0.0°
OCNAOCA177.4°179.9°
OCCAN21.5°47.6°
OCCACB137.4°72.0°
OCCAH9101.0°167.7°
OCNAOH10167.8°179.9°
OACCAQNANNAO13.2°0.0°
OACCAQNANH11166.7°180.0°
OACCAQCASH12128.0°123.2°
CAQNANNAOH11180.0°180.0°
CAQNANNAOC81.0°180.0°
CAQNANNAOH1098.9°0.1°
NANCAQCASH1251.8°56.8°
NANNAOCH10180.0°179.9°
NANNAOCCA165.3°180.0°
NAOCCAN161.0°132.4°
NAOCCACB45.0°107.9°
NAOCCAH976.5°12.3°
CNAONANH1198.9°0.0°
CCANCAL54.0°176.7°
CCANCB125.7°119.7°
CCANH9122.6°120.1°
CCANCAE123.1°2.9°
CCACBH9122.2°120.1°
CCACBCAH67.0°178.2°
CCACBH753.5°61.8°
CCACBH8172.6°58.2°
CACNAOH1014.7°0.0°
NCALCAPH2118.8°119.5°
NCALCAPH3118.8°119.6°
CALNCACAE177.1°179.7°
CALNCACB71.7°57.1°
CALNCAEOAB172.3°5.1°
NCALCAPNAA149.5°133.9°
NCALCAPCAH28.5°46.1°
CALNCAEH17.6°175.2°
NCALH2H3123.5°120.9°
CALNCAH9176.6°63.2°
CAPCALNCA55.5°48.4°
CAPCALNCAE127.4°131.2°
CALCAPNAACAH178.2°180.0°
CALCAPCAHCB27.0°52.6°
CAPCALH2H3123.5°121.0°
CALCAPNAAH4178.2°180.0°
CALCAPCAHH5147.8°67.2°
CALCAPCAHH693.8°172.3°
NCACBH9112.6°120.1°
CANCAEOAB10.5°174.6°
NCACBCAH58.2°58.4°
CANCAEH1169.5°5.1°
CANCALH2174.4°71.1°
CANCALH363.3°168.1°
NCACBH7178.6°178.4°
NCACBH862.2°61.6°
CAENCACB111.2°122.6°
NCAEOABH1180.0°179.7°
CAENCALH28.6°109.3°
CAENCALH3113.8°11.6°
CAENCAH90.5°117.2°
CACBCAHCAP41.9°56.2°
CACBCAHH7120.4°120.0°
CACBCAHH8120.4°120.0°
CACBCAHH5162.6°63.6°
CACBCAHH678.9°175.9°
CACBH7H8118.6°120.1°
NAACAPCAHCB151.1°127.4°
NAACAPCALH230.7°106.6°
NAACAPCALH391.7°14.3°
NAACAPCAHH530.3°112.8°
NAACAPCAHH688.1°7.7°
CAPCAHCBH5120.8°119.8°
CAPCAHCBH6120.8°119.7°
CAHCAPCALH2147.3°73.4°
CAHCAPCALH390.3°165.7°
CAHCAPNAAH40.0°0.1°
CAPCAHH5H6117.6°120.4°
CAPCAHCBH7162.3°176.2°
CAPCAHCBH878.5°63.8°
CBCAHH5H6117.6°120.4°
CAHCBH7H8118.6°120.0°
CAHCBCAH9170.8°61.7°
H5CAHCBH776.9°56.3°
H5CAHCBH842.2°176.4°
H6CAHCBH741.5°64.1°
H6CAHCBH8160.7°56.0°
H7CBCAH968.8°58.3°
H8CBCAH950.3°178.3°
H10NAONANH1181.1°180.0°
H12CASCAIH1379.2°144.5°
H12CASCAIH1444.1°22.4°
H12CASCAKH1947.6°37.4°
H12CASCAKH2074.1°160.6°
H13CAICAFH1593.9°0.8°
H13CAICAFH1627.2°120.3°
H14CAICAFH1529.4°122.9°
H14CAICAFH16150.6°1.9°
H15CAFNAMO1121.6°26.5°
H16CAFNAMO10.4°94.7°
O1NAMCAKH19150.2°81.8°
O1NAMCAKH2028.5°41.3°
NAMO1S1O390.0°171.5°
NAMO1S1O290.0°38.6°
NAMO1S1O490.0°75.0°
O1S1O3O290.0°122.9°
O1S1O3O490.0°114.1°
O1S1O2O490.0°114.1°
O1S1O4H1790.0°180.0°
O3S1O2O490.0°122.9°
O3S1O4H1790.0°66.5°
O2S1O4H1790.0°66.4°

223790

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