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ETT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01CAMdoub1.38Å1.42ÅAromatic
C01CALsing1.38Å1.40ÅAromatic
C02CAXdoub1.40Å1.42ÅAromatic
C03C3sing1.51Å1.51Å
O10C10doub1.21Å1.24Å
O1AC1doub1.22Å1.28Å
O4C4sing1.43Å1.43Å
CAIC03sing1.51Å1.33Å
O7C7sing1.43Å1.32Å
CAJCAIdoub1.33Å1.34Å
C9O9sing1.43Å1.42Å
C9C8sing1.53Å1.50Å
CALCANdoub1.38Å1.42ÅAromatic
CAMC02sing1.38Å1.42ÅAromatic
CANCAXsing1.40Å1.41ÅAromatic
O6C6sing1.43Å1.44Å
C10C11sing1.51Å1.49Å
C10N5sing1.35Å1.37Å
C1O1Bsing1.35Å1.28Å
C1C2sing1.47Å1.48Å
C3C4sing1.50Å1.53Å
C2O6sing1.36Å1.46Å
C2C3doub1.32Å1.37Å
C8O8sing1.43Å1.32Å
C4C5sing1.53Å1.57Å
C7C8sing1.53Å1.33Å
C7C6sing1.53Å1.49Å
C5N5sing1.46Å1.46Å
C5C6sing1.54Å1.56Å
CAXCAJsing1.48Å1.53Å
CBDC01sing1.51Å1.49Å
C02H02sing1.08Å1.08Å
C03H03sing1.09Å1.10Å
C03H03Asing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C11H113sing1.09Å1.10Å
O1BHO1Bsing0.97Å0.95Å
O9HO9sing0.97Å0.95Å
O8HO8sing0.97Å0.95Å
O4HO4sing0.97Å0.95Å
CAIHAIsing1.08Å1.08Å
O7HO7sing0.97Å0.95Å
CAJHAJsing1.08Å1.08Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
CALHALsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
N5HN5sing0.97Å1.00Å
CANHANsing1.08Å1.08Å
C8H8sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
CBDHBDsing1.09Å1.10Å
CBDHBDAsing1.09Å1.10Å
CBDHBDBsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAMC01CAL117.9°120.3°
C01CAMC02120.8°120.1°
CAMC01CBD121.6°119.9°
C01CAMHAM119.6°119.9°
C01CALCAN120.1°120.2°
CALC01CBD120.5°119.9°
C01CALHAL119.9°120.0°
CAXC02CAM122.3°119.9°
C02CAXCAN115.3°119.7°
C02CAXCAJ121.9°120.2°
CAXC02H02118.9°120.0°
C3C03CAI120.9°109.5°
C03C3C4110.5°118.8°
C03C3C2128.7°118.8°
C3C03H03105.8°109.5°
C3C03H03A105.8°109.4°
O10C10C11117.1°120.0°
O10C10N5124.3°120.0°
O1AC1O1B126.0°120.0°
O1AC1C2120.0°119.9°
O4C4C3103.3°109.5°
O4C4C5111.5°109.4°
C4O4HO4109.5°114.0°
O4C4H4113.6°109.5°
C03CAICAJ132.1°120.0°
CAIC03H03105.8°109.5°
CAIC03H03A105.8°109.5°
C03CAIHAI113.9°120.0°
O7C7C8119.6°109.5°
O7C7C6121.3°109.5°
C7O7HO7109.5°114.0°
O7C7H770.9°109.5°
CAICAJCAX114.7°120.0°
CAJCAIHAI113.9°120.0°
CAICAJHAJ122.7°120.0°
O9C9C8104.3°109.5°
C9O9HO9109.5°114.0°
O9C9H91111.3°109.5°
O9C9H92111.3°109.4°
C9C8O8114.1°109.4°
C9C8C7117.2°109.5°
C8C9H91111.2°109.5°
C8C9H92111.2°109.5°
C9C8H8102.5°109.5°
CALCANCAX123.6°119.8°
CANCALHAL119.9°119.9°
CALCANHAN118.2°120.1°
CAMC02H02118.8°120.1°
C02CAMHAM119.6°119.9°
CANCAXCAJ122.9°120.1°
CAXCANHAN118.2°120.1°
C6O6C2121.7°117.6°
O6C6C787.4°109.6°
O6C6C5108.7°108.3°
O6C6H6126.9°109.8°
C11C10N5118.5°120.0°
C10C11H111109.5°109.4°
C10C11H112109.5°109.4°
C10C11H113109.5°109.5°
C10N5C5119.4°120.0°
C10N5HN5120.3°119.9°
O1BC1C2114.0°120.1°
C1O1BHO1B109.5°117.0°
C1C2O6109.7°118.5°
C1C2C3129.1°118.5°
C4C3C2120.7°122.3°
C3C4C5113.1°109.4°
C3C4H4111.9°109.5°
O6C2C3120.9°123.0°
O8C8C7116.4°109.5°
C8O8HO8109.5°114.0°
O8C8H8103.8°109.5°
C4C5N5107.9°109.7°
C4C5C6112.5°108.2°
C5C4H4103.7°109.5°
C4C5H5110.6°109.8°
C8C7C6119.1°109.5°
C7C8H899.2°109.5°
C8C7H7120.3°109.5°
C7C6C5119.9°109.7°
C6C7H782.1°109.4°
C7C6H6117.0°109.7°
N5C5C6115.0°109.7°
C5N5HN5120.3°120.1°
N5C5H5107.9°109.7°
C6C5H5102.7°109.7°
C5C6H698.7°109.7°
CAXCAJHAJ122.7°120.0°
C01CBDHBD109.5°109.5°
C01CBDHBDA109.5°109.5°
C01CBDHBDB109.4°109.5°
H03C03H03A112.9°109.4°
H111C11H112109.5°109.4°
H111C11H113109.5°109.5°
H112C11H113109.5°109.5°
H91C9H92107.6°109.4°
HBDCBDHBDA109.5°109.5°
HBDCBDHBDB109.5°109.5°
HBDACBDHBDB109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAMC01CALCBD179.9°179.7°
C01CAMC02CAX0.4°0.0°
CAMC01CALCAN0.2°0.0°
C01CAMC02HAM180.0°179.9°
C01CAMC02H02179.6°180.0°
CAMC01CALHAL179.8°180.0°
CAMC01CBDHBD89.9°90.0°
CAMC01CBDHBDA150.0°150.0°
CAMC01CBDHBDB30.1°30.0°
C01CALCANHAL180.0°180.0°
CALC01CAMC020.0°0.0°
C01CALCANCAX0.0°0.0°
CALC01CAMHAM179.9°179.9°
C01CALCANHAN180.0°180.0°
CALC01CBDHBD90.0°89.8°
CALC01CBDHBDA30.1°30.2°
CALC01CBDHBDB150.1°150.2°
C02CAXCAJCAI19.4°180.0°
C02CAXCANCAL0.3°0.0°
CAXC02CAMH02180.0°180.0°
C02CAXCANCAJ179.3°180.0°
C02CAXCAJHAJ160.6°0.0°
CAXC02CAMHAM179.6°179.9°
C02CAXCANHAN179.7°180.0°
C03C3C4O444.4°42.5°
C3C03CAIH03120.0°120.0°
C3C03CAIH03A120.0°120.0°
C3C03CAICAJ149.2°125.0°
C03C3C2C19.1°0.3°
C03C3C4C2176.3°179.9°
C03C3C2O6178.4°179.6°
C03C3C4C5165.1°162.5°
C3C03H03H03A115.3°119.9°
C3C03CAIHAI30.8°55.0°
C03C3C4H478.1°77.5°
O10C10C11N5177.5°179.9°
O10C10N5C513.5°0.1°
O10C10C11H1110.0°90.1°
O10C10C11H112120.0°150.0°
O10C10C11H113120.0°30.0°
O10C10N5HN5166.5°180.0°
O1AC1O1BC2177.8°179.9°
O1AC1C2O6171.2°86.7°
O1AC1C2C315.6°93.4°
O1AC1O1BHO1B0.0°0.0°
O4C4C3C5120.7°119.9°
O4C4C3H4122.5°120.1°
O4C4C3C2139.4°137.5°
O4C4C5H4122.6°120.0°
O4C4C5N574.0°73.2°
O4C4C5C6158.0°167.2°
O4C4C5H543.7°47.4°
C03CAICAJHAI180.0°180.0°
CAIC03C3C498.2°85.2°
CAIC03C3C285.9°94.7°
C03CAICAJCAX169.8°180.0°
CAIC03H03H03A115.3°120.0°
C03CAICAJHAJ10.2°0.0°
O7C7C8C99.9°60.0°
O7C7C6O687.4°65.0°
O7C7C8O8150.2°180.0°
O7C7C8C6177.7°120.0°
O7C7C8H784.1°120.0°
O7C7C6H761.9°120.0°
O7C7C6C522.8°53.8°
O7C7C8H899.3°60.0°
O7C7C6H6142.0°174.4°
CAICAJCAXCAN159.8°0.0°
CAICAJCAXHAJ180.0°180.0°
CAJCAIC03H0390.8°115.0°
CAJCAIC03H03A29.1°5.0°
O9C9C8H91120.0°120.1°
O9C9C8H92120.0°120.0°
O9C9C8O862.7°65.0°
O9C9C8C778.5°175.0°
O9C9H91H92122.1°120.0°
O9C9C8H8174.2°55.0°
C9C8O8C7141.5°120.0°
C9C8O8H8110.8°120.0°
C9C8C7H8109.3°120.0°
C9C8C7C6172.3°180.0°
C8C9O9HO9180.0°180.0°
C9C8O8HO8180.0°60.0°
C8C9H91H92122.1°120.0°
C9C8C7H774.1°60.0°
CALCANCAXHAN180.0°180.0°
CALCANCAXCAJ179.6°180.0°
CANCALC01CBD180.0°179.7°
CAMC02CAXCAN0.5°0.0°
CAMC02CAXCAJ179.9°180.0°
C02CAMC01CBD179.8°179.7°
CANCAXC02H02179.5°179.9°
CANCAXCAJHAJ20.2°180.0°
CAXCANCALHAL180.0°180.0°
C6O6C2C1154.2°163.4°
C6O6C2C319.7°16.7°
O6C6C5C452.7°63.0°
O6C6C7C890.3°55.1°
O6C6C7C5110.2°118.8°
O6C6C7H6130.7°120.6°
O6C6C5N5176.8°177.3°
O6C6C5H6133.9°119.8°
O6C6C7H7149.3°175.0°
O6C6C5H566.3°56.7°
C11C10N5C5169.2°180.0°
C10C11H111H112120.0°119.9°
C10C11H111H113120.0°120.0°
C10C11H112H113120.0°120.1°
C11C10N5HN510.8°0.0°
C10N5C5C499.4°85.0°
C10N5C5HN5180.0°180.0°
C10N5C5C6134.1°156.2°
N5C10C11H111177.5°90.0°
N5C10C11H11262.5°29.9°
N5C10C11H11357.5°150.0°
C10N5C5H520.1°35.6°
O1BC1C2O610.9°93.4°
O1BC1C2C3162.3°86.5°
C1C2C3C4166.5°179.6°
C1C2O6C3173.9°179.9°
C2C1O1BHO1B177.8°180.0°
C4C3C2O66.1°0.4°
C3C4C5H4121.5°120.0°
C3C4C5N5170.1°166.9°
C3C4C5C642.1°47.2°
C4C3C03H03141.8°154.8°
C4C3C03H03A21.8°34.9°
C3C4O4HO4180.0°60.1°
C3C4C5H572.2°72.5°
C2O6C6C7163.0°167.6°
C2O6C6C542.3°47.9°
C2O6C6H674.7°71.9°
C2C3C4C518.6°17.6°
C2C3C03H0334.1°25.3°
C2C3C03H03A154.1°145.2°
C2C3C4H498.1°102.4°
O8C8C7H8110.5°120.1°
O8C8C7C632.0°60.0°
O8C8C9H91177.3°55.0°
O8C8C9H9257.4°175.0°
O8C8C7H766.2°59.9°
C4C5C6C7150.7°177.3°
C4C5N5C6126.5°118.8°
C4C5N5H5119.5°120.6°
C4C5C6H5119.0°119.8°
C5C4O4HO458.2°180.0°
C4C5N5HN580.6°95.0°
C4C5C6H681.2°56.8°
C8C7C6H7120.4°120.0°
C8C7C6C5159.5°173.9°
C7C8O8HO838.5°60.0°
C8C7O7HO7180.0°60.0°
C7C8C9H9141.5°65.0°
C7C8C9H92161.5°55.0°
C8C7C6H640.3°65.5°
C7C6C5N585.2°57.7°
C7C6C5H6128.1°120.6°
C6C7O7HO72.3°60.0°
C6C7C8H878.4°60.1°
C7C6C5H531.8°62.9°
N5C5C6H5116.9°120.6°
N5C5C4H448.6°46.9°
N5C5C6H643.0°62.9°
C6C5N5HN545.9°23.8°
C6C5C4H479.4°72.8°
C5C6C7H739.1°66.1°
CAJCAXC02H020.2°0.0°
CAXCAJCAIHAI10.2°0.0°
CAJCAXCANHAN0.4°0.1°
CBDC01CALHAL0.0°0.3°
CBDC01CAMHAM0.2°0.4°
C01CBDHBDHBDA120.0°120.0°
C01CBDHBDHBDB120.0°120.0°
C01CBDHBDAHBDB120.0°120.0°
H02C02CAMHAM0.4°0.0°
H03C03CAIHAI89.2°65.0°
H03AC03CAIHAI150.8°175.0°
H111C11H112H113120.0°120.1°
HO9O9C9H9160.0°59.9°
HO9O9C9H9260.0°60.0°
HO8O8C8H869.2°180.0°
HO4O4C4H458.6°60.0°
HAICAICAJHAJ169.8°180.0°
HO7O7C7H765.3°180.0°
H91C9C8H865.8°175.0°
H92C9C8H854.2°65.0°
HALCALCANHAN0.0°0.0°
HN5N5C5H5159.9°144.4°
H8C8C7H7176.6°180.0°
H4C4C5H5166.3°167.5°
H7C7C6H680.1°54.5°
H5C5C6H6159.9°176.5°
HBDCBDHBDAHBDB120.0°120.0°

248636

PDB entries from 2026-02-04

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