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AN7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACAQsing1.51Å1.54Å
OABCAOdoub1.21Å1.24Å
OACCAPdoub1.22Å1.22Å
OADPAUdoub1.48Å1.48Å
OAECAOsing1.35Å1.27Å
OAFCARsing1.36Å1.37Å
OAGPAUsing1.61Å1.59Å
OAHPAUsing1.61Å1.61Å
CAICAJdoub1.36Å1.40Å
CAICAPsing1.41Å1.40Å
CAJCATsing1.47Å1.43Å
CAKNAMdoub1.32Å1.34ÅAromatic
CAKCASsing1.38Å1.41ÅAromatic
CALOANsing1.43Å1.43Å
CALCASsing1.51Å1.54Å
NAMCAQsing1.32Å1.37ÅAromatic
OANPAUsing1.61Å1.61Å
CAOCAPsing1.49Å1.55Å
CAQCARdoub1.39Å1.43ÅAromatic
CARCATsing1.41Å1.45ÅAromatic
CASCATdoub1.40Å1.46ÅAromatic
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
OAEHOAEsing0.97Å0.95Å
OAFHOAFsing0.97Å0.95Å
OAGHOAGsing0.97Å0.95Å
OAHHOAHsing0.97Å0.95Å
CAIHAIsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CALHALsing1.09Å1.10Å
CALHALAsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACAQNAM117.4°119.6°
CAACAQCAR122.3°119.6°
CAQCAAHAA109.5°109.4°
CAQCAAHAAA109.5°109.5°
CAQCAAHAAB109.5°109.4°
OABCAOOAE122.5°120.0°
OABCAOCAP118.3°120.0°
OACCAPCAI121.5°120.0°
OACCAPCAO120.1°120.0°
OADPAUOAG110.9°109.4°
OADPAUOAH109.7°109.5°
OADPAUOAN114.4°109.5°
OAECAOCAP119.2°120.0°
CAOOAEHOAE109.5°117.0°
OAFCARCAQ118.1°120.6°
OAFCARCAT124.2°120.7°
CAROAFHOAF109.5°114.0°
OAGPAUOAH106.3°109.5°
OAGPAUOAN107.7°109.5°
PAUOAGHOAG109.5°114.0°
OAHPAUOAN107.5°109.5°
PAUOAHHOAH109.5°113.9°
CAJCAICAP127.3°120.0°
CAICAJCAT129.8°120.0°
CAJCAIHAI116.3°120.0°
CAICAJHAJ115.1°120.0°
CAICAPCAO118.4°120.0°
CAPCAIHAI116.3°120.0°
CAJCATCAR124.2°121.0°
CAJCATCAS117.1°121.0°
CATCAJHAJ115.1°120.0°
NAMCAKCAS121.0°121.1°
CAKNAMCAQ123.5°122.3°
NAMCAKHAK119.5°119.5°
CAKCASCAL113.4°120.5°
CAKCASCAT118.8°119.0°
CASCAKHAK119.5°119.4°
OANCALCAS111.2°109.5°
CALOANPAU119.8°123.0°
OANCALHAL108.9°109.5°
OANCALHALA108.9°109.5°
CALCASCAT127.8°120.5°
CASCALHAL108.9°109.5°
CASCALHALA108.9°109.5°
NAMCAQCAR120.3°120.8°
CAQCARCAT117.7°118.7°
CARCATCAS118.7°118.0°
HAACAAHAAA109.4°109.5°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.5°109.5°
HALCALHALA110.0°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACAQCAROAF0.1°0.0°
CAACAQNAMCAK180.0°180.0°
CAACAQNAMCAR179.9°179.9°
CAACAQCARCAT179.9°179.9°
CAQCAAHAAHAAA120.0°120.0°
CAQCAAHAAHAAB120.0°120.0°
CAQCAAHAAAHAAB120.0°120.0°
OABCAOCAPOAC0.5°180.0°
OABCAOOAECAP179.7°179.9°
OABCAOCAPCAI179.6°0.0°
OABCAOOAEHOAE0.0°0.0°
OACCAPCAOOAE179.2°0.0°
OACCAPCAICAJ1.5°0.0°
OACCAPCAICAO179.9°180.0°
OACCAPCAIHAI178.5°180.0°
OADPAUOAGOAH119.2°120.0°
OADPAUOAGOAN125.9°120.0°
OADPAUOAHOAN125.0°120.0°
OADPAUOANCAL56.2°55.0°
OADPAUOAGHOAG0.0°60.1°
OADPAUOAHHOAH0.0°180.0°
OAECAOCAPCAI0.7°180.0°
OAFCARCATCAJ0.1°0.0°
OAFCARCAQNAM179.9°179.9°
OAFCARCAQCAT179.9°180.0°
OAFCARCATCAS179.9°180.0°
OAGPAUOAHOAN115.1°120.0°
OAGPAUOANCAL179.9°175.0°
OAGPAUOAHHOAH119.9°60.0°
OAHPAUOANCAL65.9°65.0°
OAHPAUOAGHOAG119.2°59.9°
CAJCAICAPHAI180.0°180.0°
CAICAJCATHAJ180.0°180.0°
CAJCAICAPCAO178.4°180.0°
CAICAJCATCAR1.4°50.0°
CAICAJCATCAS178.6°130.0°
CAPCAICAJCAT178.1°180.0°
CAPCAICAJHAJ1.8°0.0°
CAJCATCASCAK179.9°180.0°
CAJCATCASCAL0.4°0.0°
CAJCATCARCAQ179.9°180.0°
CAJCATCARCAS179.9°180.0°
CATCAJCAIHAI1.9°0.0°
NAMCAKCASHAK180.0°179.8°
NAMCAKCASCAL179.8°180.0°
CAKNAMCAQCAR0.0°0.1°
NAMCAKCASCAT0.1°0.1°
CAKCASCALOAN96.9°0.0°
CAKCASCALCAT179.7°180.0°
CASCAKNAMCAQ0.1°0.1°
CAKCASCATCAR0.0°0.0°
CAKCASCALHAL143.1°120.0°
CAKCASCALHALA23.1°120.1°
OANCALCASHAL120.0°120.0°
OANCALCASHALA120.0°120.0°
OANCALCASCAT82.8°180.0°
OANCALHALHALA119.3°120.0°
CASCALOANPAU140.8°180.0°
CALCASCATCAR179.7°180.0°
CALCASCAKHAK0.2°0.2°
CASCALHALHALA119.2°120.0°
NAMCAQCARCAT0.0°0.1°
NAMCAQCAAHAA0.0°90.1°
NAMCAQCAAHAAA120.0°149.9°
NAMCAQCAAHAAB120.0°29.9°
CAQNAMCAKHAK179.9°179.7°
OANPAUOAGHOAG125.9°180.0°
OANPAUOAHHOAH125.0°60.0°
PAUOANCALHAL20.8°60.0°
PAUOANCALHALA99.2°60.0°
CAPCAOOAEHOAE179.7°180.0°
CAOCAPCAIHAI1.6°0.0°
CAQCARCATCAS0.0°0.0°
CARCAQCAAHAA179.9°90.0°
CARCAQCAAHAAA60.1°29.9°
CARCAQCAAHAAB59.9°150.0°
CAQCAROAFHOAF180.0°90.0°
CATCAROAFHOAF0.2°90.0°
CARCATCAJHAJ178.6°130.0°
CASCATCAJHAJ1.4°50.0°
CATCASCAKHAK179.9°179.8°
CATCASCALHAL37.2°60.0°
CATCASCALHALA157.2°60.0°
HAACAAHAAAHAAB120.0°120.1°
HAICAICAJHAJ178.1°NaN°

223532

PDB entries from 2024-08-07

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