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9HT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLCAWsing1.74Å1.72Å
CAWCAGdoub1.39Å1.51ÅAromatic
CAWCAHsing1.38Å1.36ÅAromatic
CAGCAJsing1.38Å1.35ÅAromatic
CAHCAKdoub1.38Å1.51ÅAromatic
CAJCAZdoub1.39Å1.51ÅAromatic
CAKCAZsing1.40Å1.35ÅAromatic
CAZCAVsing1.48Å1.52Å
CANCAAsing1.53Å1.52Å
CANNASsing1.46Å1.43Å
NASCAUsing1.35Å1.43Å
CAVNAPdoub1.29Å1.43Å
CAVCBAsing1.47Å1.52Å
NAPCBEsing1.47Å1.44Å
CAUOAEdoub1.21Å1.21Å
CAUCBDsing1.51Å1.51Å
CAMCBAdoub1.40Å1.41ÅAromatic
CAMCAXsing1.38Å1.36ÅAromatic
CBACBBsing1.40Å1.39ÅAromatic
CBDCBEsing1.53Å1.50Å
CBDCAOsing1.53Å1.52Å
OATCAXsing1.36Å1.43Å
OATCACsing1.43Å1.41Å
CBECBCsing1.51Å1.50Å
CAXCAIdoub1.39Å1.39ÅAromatic
CBCNBFsing1.36Å1.48ÅAromatic
CBCNARdoub1.30Å1.38ÅAromatic
CBBNBFsing1.40Å1.46Å
CBBCALdoub1.39Å1.39ÅAromatic
CAOCABsing1.53Å1.53Å
NBFCAYsing1.36Å1.43ÅAromatic
NARNAQsing1.29Å1.30ÅAromatic
CAICALsing1.38Å1.40ÅAromatic
NAQCAYdoub1.31Å1.27ÅAromatic
CAYCADsing1.51Å1.51Å
CAAHAAsing1.09Å1.10Å
CAAHABsing1.09Å1.10Å
CAAHACsing1.09Å1.10Å
CANHATsing1.09Å1.10Å
CANHAUsing1.09Å1.10Å
NASHBFsing0.97Å1.00Å
CBDHBDsing1.09Å1.10Å
CAOHAWsing1.09Å1.10Å
CAOHAVsing1.09Å1.10Å
CABHADsing1.09Å1.10Å
CABHAFsing1.09Å1.10Å
CABHAEsing1.09Å1.10Å
CBEHBEsing1.09Å1.10Å
CADHAJsing1.09Å1.10Å
CADHAKsing1.09Å1.10Å
CADHALsing1.09Å1.10Å
CALHARsing1.08Å1.08Å
CAIHAOsing1.08Å1.08Å
CACHAGsing1.09Å1.10Å
CACHAHsing1.09Å1.10Å
CACHAIsing1.09Å1.10Å
CAMHASsing1.08Å1.08Å
CAJHAPsing1.08Å1.08Å
CAGHAMsing1.08Å1.08Å
CAHHANsing1.08Å1.08Å
CAKHAQsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLCAWCAG119.3°119.9°
CLCAWCAH119.3°119.9°
CAGCAWCAH121.4°120.2°
CAWCAGCAJ119.3°120.1°
CAWCAGHAM120.4°120.0°
CAWCAHCAK119.2°120.1°
CAWCAHHAN120.4°119.9°
CAGCAJCAZ119.1°119.9°
CAGCAJHAP120.5°120.1°
CAJCAGHAM120.4°119.9°
CAHCAKCAZ119.1°119.9°
CAKCAHHAN120.4°119.9°
CAHCAKHAQ120.5°120.1°
CAJCAZCAK121.9°119.7°
CAJCAZCAV120.5°120.2°
CAZCAJHAP120.4°120.0°
CAKCAZCAV117.6°120.1°
CAZCAKHAQ120.5°120.0°
CAZCAVNAP108.2°116.0°
CAZCAVCBA127.6°116.0°
CAACANNAS107.1°109.5°
CANCAAHAA109.5°109.5°
CANCAAHAB109.5°109.5°
CANCAAHAC109.5°109.4°
CAACANHAT110.1°109.5°
CAACANHAU110.1°109.4°
CANNASCAU121.1°120.0°
NASCANHAT110.1°109.5°
NASCANHAU110.0°109.4°
CANNASHBF119.4°120.0°
NASCAUOAE121.3°120.0°
NASCAUCBD117.7°120.1°
CAUNASHBF119.5°119.9°
NAPCAVCBA124.2°128.0°
CAVNAPCBE116.9°121.9°
CAVCBACAM113.7°118.0°
CAVCBACBB123.9°123.0°
NAPCBECBD109.5°109.8°
NAPCBECBC107.5°107.8°
NAPCBEHBE110.1°109.9°
OAECAUCBD121.0°119.9°
CAUCBDCBE109.6°109.5°
CAUCBDCAO110.2°109.5°
CAUCBDHBD108.1°109.4°
CBACAMCAX119.7°120.5°
CAMCBACBB122.2°118.9°
CBACAMHAS120.1°119.8°
CAMCAXOAT118.8°120.0°
CAMCAXCAI118.5°120.1°
CAXCAMHAS120.1°119.8°
CBACBBNBF121.3°121.8°
CBACBBCAL117.3°119.9°
CBECBDCAO112.9°109.5°
CBDCBECBC111.4°109.8°
CBECBDHBD108.1°109.5°
CBDCBEHBE109.2°109.8°
CBDCAOCAB114.8°109.5°
CAOCBDHBD107.9°109.5°
CBDCAOHAW108.1°109.5°
CBDCAOHAV108.1°109.5°
CAXOATCAC116.5°117.0°
OATCAXCAI122.8°119.9°
OATCACHAG109.5°109.4°
OATCACHAH109.5°109.5°
OATCACHAI109.5°109.5°
CBECBCNBF122.2°125.1°
CBECBCNAR130.4°127.5°
CBCCBEHBE109.2°109.8°
CAXCAICAL122.1°120.0°
CAXCAIHAO118.9°120.1°
NBFCBCNAR107.4°107.4°
CBCNBFCBB122.3°126.0°
CBCNBFCAY98.8°106.1°
CBCNARNAQ109.7°109.6°
NBFCBBCAL121.3°118.3°
CBBNBFCAY138.9°127.8°
CBBCALCAI120.2°120.5°
CBBCALHAR119.9°119.7°
CABCAOHAW108.1°109.5°
CABCAOHAV108.1°109.5°
CAOCABHAD109.5°109.5°
CAOCABHAF109.4°109.4°
CAOCABHAE109.5°109.5°
NBFCAYNAQ113.7°106.9°
NBFCAYCAD122.3°126.6°
NARNAQCAY110.3°109.8°
CAICALHAR119.9°119.8°
CALCAIHAO118.9°120.0°
NAQCAYCAD124.1°126.5°
CAYCADHAJ109.5°109.4°
CAYCADHAK109.5°109.5°
CAYCADHAL109.5°109.5°
HAACAAHAB109.4°109.5°
HAACAAHAC109.5°109.5°
HABCAAHAC109.5°109.4°
HATCANHAU109.5°109.5°
HAWCAOHAV109.5°109.5°
HADCABHAF109.5°109.5°
HADCABHAE109.4°109.5°
HAFCABHAE109.5°109.5°
HAJCADHAK109.5°109.4°
HAJCADHAL109.4°109.4°
HAKCADHAL109.5°109.5°
HAGCACHAH109.5°109.5°
HAGCACHAI109.5°109.5°
HAHCACHAI109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLCAWCAGCAH179.9°180.0°
CLCAWCAGCAJ179.6°179.9°
CLCAWCAHCAK179.7°179.8°
CLCAWCAGHAM0.4°0.0°
CLCAWCAHHAN0.2°0.0°
CAWCAGCAJHAM180.0°179.9°
CAGCAWCAHCAK0.1°0.2°
CAWCAGCAJCAZ0.5°0.0°
CAWCAGCAJHAP179.5°179.9°
CAGCAWCAHHAN179.9°180.0°
CAHCAWCAGCAJ0.2°0.1°
CAWCAHCAKHAN180.0°179.8°
CAWCAHCAKCAZ0.3°0.5°
CAHCAWCAGHAM179.8°180.0°
CAWCAHCAKHAQ179.7°180.0°
CAGCAJCAZHAP180.0°180.0°
CAGCAJCAZCAK0.7°0.3°
CAGCAJCAZCAV179.7°180.0°
CAHCAKCAZCAJ0.6°0.6°
CAHCAKCAZHAQ180.0°179.5°
CAHCAKCAZCAV179.7°179.8°
CAJCAZCAKCAV179.1°179.7°
CAJCAZCAVNAP34.5°25.8°
CAJCAZCAVCBA147.8°154.2°
CAZCAJCAGHAM179.5°179.9°
CAJCAZCAKHAQ179.4°179.9°
CAKCAZCAVNAP146.4°153.9°
CAKCAZCAVCBA31.3°26.1°
CAKCAZCAJHAP179.3°179.7°
CAZCAKCAHHAN179.7°179.7°
CAZCAVNAPCBA177.7°179.9°
CAZCAVNAPCBE174.7°178.7°
CAZCAVCBACAM47.5°39.7°
CAZCAVCBACBB127.4°138.2°
CAVCAZCAJHAP0.3°0.1°
CAVCAZCAKHAQ0.4°0.3°
CAACANNASHAT119.6°120.1°
CAACANNASHAU119.6°119.9°
CAACANNASCAU87.8°175.1°
CANCAAHAAHAB120.0°120.0°
CANCAAHAAHAC120.0°120.0°
CANCAAHABHAC120.0°119.9°
CAACANHATHAU121.1°120.0°
CAACANNASHBF92.2°4.9°
CANNASCAUHBF180.0°180.0°
CANNASCAUOAE0.9°5.0°
CANNASCAUCBD179.2°175.1°
NASCANCAAHAA180.0°60.0°
NASCANCAAHAB60.0°180.0°
NASCANCAAHAC60.0°60.0°
NASCANHATHAU121.1°120.0°
NASCAUOAECBD179.9°180.0°
NASCAUCBDCBE140.6°142.8°
NASCAUCBDCAO94.6°97.2°
CAUNASCANHAT152.6°55.0°
CAUNASCANHAU31.8°64.9°
NASCAUCBDHBD23.0°22.8°
NAPCAVCBACAM135.3°140.2°
NAPCAVCBACBB49.9°41.9°
CAVNAPCBECBD171.4°58.5°
CAVNAPCBECBC67.5°61.1°
CAVNAPCBEHBE51.4°179.3°
CBACAVNAPCBE3.1°1.2°
CAVCBACAMCBB174.9°178.0°
CAVCBACAMCAX175.9°176.5°
CAVCBACBBNBF6.6°4.5°
CAVCBACBBCAL175.5°175.8°
CAVCBACAMHAS4.1°3.6°
NAPCBECBDCAU57.4°58.4°
NAPCBECBDCBC118.7°118.3°
NAPCBECBDHBE120.6°120.9°
NAPCBECBDCAO179.4°178.5°
NAPCBECBCHBE119.4°119.6°
NAPCBECBCNBF71.3°58.6°
NAPCBECBCNAR108.1°121.0°
NAPCBECBDHBD60.2°61.5°
OAECAUCBDCBE39.3°37.3°
OAECAUCBDCAO85.5°82.8°
OAECAUNASHBF179.0°175.0°
OAECAUCBDHBD156.8°157.2°
CAUCBDCBECAO123.2°120.0°
CAUCBDCBEHBD117.6°119.9°
CAUCBDCAOHBD117.8°120.0°
CAUCBDCBECBC176.1°176.7°
CAUCBDCAOCAB91.9°65.5°
CBDCAUNASHBF0.8°4.9°
CAUCBDCAOHAW28.9°174.5°
CAUCBDCAOHAV147.4°54.5°
CAUCBDCBEHBE63.2°62.5°
CBACAMCAXHAS180.0°179.9°
CBACAMCAXOAT179.9°180.0°
CBACAMCAXCAI0.4°0.0°
CAMCBACBBNBF179.0°177.6°
CAMCBACBBCAL1.1°2.1°
CAXCAMCBACBB1.0°1.4°
CAMCAXOATCAI179.7°180.0°
CAMCAXOATCAC180.0°180.0°
CAMCAXCAICAL0.0°0.8°
CAMCAXCAIHAO179.9°179.2°
CBACBBNBFCBC36.7°36.3°
CBACBBNBFCAL177.8°179.7°
CBACBBNBFCAY142.5°145.9°
CBACBBCALCAI0.7°1.3°
CBACBBCALHAR179.3°178.7°
CBBCBACAMHAS179.0°178.5°
CBECBDCAOHBD119.3°120.0°
CBDCBECBCHBE120.7°120.8°
CBDCBECBCNBF168.8°61.0°
CBDCBECBCNAR11.8°119.5°
CBECBDCAOCAB31.0°174.5°
CBECBDCAOHAW151.8°54.5°
CBECBDCAOHAV89.8°65.5°
CAOCBDCBECBC60.7°63.2°
CBDCAOCABHAW120.8°120.0°
CBDCAOCABHAV120.8°120.0°
CBDCAOHAWHAV117.6°120.0°
CBDCAOCABHAD180.0°59.1°
CBDCAOCABHAF60.0°60.9°
CBDCAOCABHAE60.0°179.1°
CAOCBDCBEHBE60.0°57.6°
OATCAXCAICAL179.7°179.2°
OATCAXCAIHAO0.3°0.8°
CAXOATCACHAG180.0°180.0°
CAXOATCACHAH60.0°60.0°
CAXOATCACHAI60.0°60.0°
OATCAXCAMHAS0.1°0.1°
CACOATCAXCAI0.2°0.0°
OATCACHAGHAH120.0°120.0°
OATCACHAGHAI120.0°120.0°
OATCACHAHHAI120.0°120.0°
CBECBCNBFNAR179.5°179.6°
CBECBCNBFCBB0.1°4.3°
CBECBCNBFCAY179.4°177.5°
CBECBCNARNAQ179.2°177.9°
CBCCBECBDHBD58.5°56.8°
CAXCAICALCBB0.1°0.1°
CAXCAICALHAO180.0°180.0°
CAXCAICALHAR179.8°179.9°
CAICAXCAMHAS179.6°179.9°
CBCNBFCBBCAY179.2°177.8°
CBCNBFCBBCAL141.1°143.4°
NBFCBCNARNAQ0.3°1.7°
CBCNBFCAYNAQ0.0°1.7°
CBCNBFCAYCAD179.5°178.2°
NBFCBCCBEHBE48.1°178.2°
NARCBCNBFCBB179.6°176.1°
NARCBCNBFCAY0.2°2.1°
CBCNARNAQCAY0.3°0.6°
NARCBCCBEHBE132.4°1.3°
NBFCBBCALCAI178.6°178.4°
CBBNBFCAYNAQ179.3°176.4°
CBBNBFCAYCAD1.2°3.7°
NBFCBBCALHAR1.4°1.6°
CALCBBNBFCAY39.7°34.4°
CBBCALCAIHAR180.0°180.0°
CBBCALCAIHAO179.9°179.8°
CABCAOCBDHBD150.4°54.5°
CABCAOHAWHAV117.6°120.0°
CAOCABHADHAF120.0°120.0°
CAOCABHADHAE120.0°120.0°
CAOCABHAFHAE120.0°120.0°
NBFCAYNAQNAR0.2°0.8°
NBFCAYNAQCAD179.5°179.9°
NBFCAYCADHAJ179.4°90.1°
NBFCAYCADHAK60.6°29.9°
NBFCAYCADHAL59.4°150.0°
NARNAQCAYCAD179.3°179.2°
NAQCAYCADHAJ0.0°90.0°
NAQCAYCADHAK120.0°150.0°
NAQCAYCADHAL120.0°29.9°
CAYCADHAJHAK120.0°120.0°
CAYCADHAJHAL120.0°120.0°
CAYCADHAKHAL120.0°120.1°
HAACAAHABHAC120.0°120.0°
HAACAACANHAT60.4°180.0°
HAACAACANHAU60.4°60.0°
HABCAACANHAT59.6°60.0°
HABCAACANHAU179.6°60.1°
HACCAACANHAT179.7°60.0°
HACCAACANHAU59.6°180.0°
HATCANNASHBF27.4°124.9°
HAUCANNASHBF148.1°115.1°
HBDCBDCAOHAW88.8°65.5°
HBDCBDCAOHAV29.6°174.5°
HBDCBDCBEHBE179.2°177.6°
HAWCAOCABHAD59.2°179.1°
HAWCAOCABHAF179.2°59.1°
HAWCAOCABHAE60.8°60.9°
HAVCAOCABHAD59.2°60.9°
HAVCAOCABHAF60.8°179.1°
HAVCAOCABHAE179.2°59.1°
HADCABHAFHAE120.0°120.0°
HAJCADHAKHAL120.0°120.0°
HARCALCAIHAO0.1°0.2°
HAGCACHAHHAI120.0°120.1°
HAPCAJCAGHAM0.5°0.0°
HANCAHCAKHAQ0.3°0.2°

222624

PDB entries from 2024-07-17

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