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9HC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
BRCASsing1.89Å1.98Å
CAACATsing1.51Å1.38Å
OABCARdoub1.21Å1.22Å
OACPAYdoub1.57Å1.48Å
OADCAWsing1.36Å1.38Å
OAEPAYsing1.57Å1.61Å
OAFPAYsing1.57Å1.62Å
CAHCAJdoub1.38Å1.39ÅAromatic
CAHCASsing1.38Å1.40ÅAromatic
CAICAKsing1.38Å1.37ÅAromatic
CAICASdoub1.39Å1.39ÅAromatic
CAJCAUsing1.40Å1.42ÅAromatic
CAKCAUdoub1.40Å1.40ÅAromatic
CALNAPdoub1.32Å1.38ÅAromatic
CALCAVsing1.38Å1.39ÅAromatic
CAMCANsing1.53Å1.53Å
CAMCARsing1.51Å1.51Å
CANCAXsing1.51Å1.44Å
CAOOAQsing1.43Å1.40Å
CAOCAVsing1.51Å1.42Å
NAPCATsing1.32Å1.34ÅAromatic
OAQPAYsing1.61Å1.59Å
CARCAUsing1.47Å1.44Å
CATCAWdoub1.39Å1.38ÅAromatic
CAVCAXdoub1.39Å1.45ÅAromatic
CAWCAXsing1.39Å1.39ÅAromatic
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
OADHOADsing0.97Å0.95Å
CAHHAHsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAMHAMsing1.09Å1.10Å
CAMHAMAsing1.09Å1.10Å
CANHANsing1.09Å1.10Å
CANHANAsing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
BRCASCAH125.2°119.8°
BRCASCAI115.7°119.8°
CAACATNAP118.3°119.6°
CAACATCAW120.4°119.7°
CATCAAHAA109.5°109.5°
CATCAAHAAA109.5°109.4°
CATCAAHAAB109.5°109.5°
OABCARCAM119.0°119.9°
OABCARCAU121.6°120.0°
OACPAYOAE109.6°109.5°
OACPAYOAF110.0°109.5°
OACPAYOAQ112.1°109.5°
OADCAWCAT118.9°120.5°
OADCAWCAX118.6°120.5°
CAWOADHOAD109.5°114.0°
OAEPAYOAF110.5°109.5°
OAEPAYOAQ105.8°109.5°
OAFPAYOAQ108.8°109.5°
CAJCAHCAS118.8°120.2°
CAHCAJCAU122.7°119.8°
CAJCAHHAH120.6°119.9°
CAHCAJHAJ118.7°120.1°
CAHCASCAI119.0°120.3°
CASCAHHAH120.6°119.9°
CAKCAICAS121.7°120.2°
CAICAKCAU121.6°119.8°
CAKCAIHAI119.2°119.9°
CAICAKHAK119.2°120.1°
CASCAIHAI119.1°119.9°
CAJCAUCAK116.2°119.7°
CAJCAUCAR121.5°120.1°
CAUCAJHAJ118.7°120.1°
CAKCAUCAR122.3°120.2°
CAUCAKHAK119.2°120.1°
NAPCALCAV122.6°120.9°
CALNAPCAT119.0°121.7°
NAPCALHAL118.7°119.5°
CALCAVCAO115.0°120.4°
CALCAVCAX118.0°119.3°
CAVCALHAL118.7°119.6°
CANCAMCAR121.9°109.5°
CAMCANCAX117.8°109.4°
CANCAMHAM106.3°109.5°
CANCAMHAMA106.3°109.5°
CAMCANHAN107.3°109.5°
CAMCANHANA107.3°109.5°
CAMCARCAU119.1°120.0°
CARCAMHAM106.3°109.4°
CARCAMHAMA106.3°109.5°
CANCAXCAV125.6°120.9°
CANCAXCAW117.0°120.8°
CAXCANHAN107.3°109.4°
CAXCANHANA107.4°109.5°
OAQCAOCAV116.4°109.4°
CAOOAQPAY118.1°123.0°
OAQCAOHAO107.7°109.5°
OAQCAOHAOA107.7°109.5°
CAOCAVCAX126.9°120.4°
CAVCAOHAO107.7°109.5°
CAVCAOHAOA107.7°109.4°
NAPCATCAW121.3°120.7°
CATCAWCAX122.3°119.0°
CAVCAXCAW116.3°118.3°
HAACAAHAAA109.5°109.4°
HAACAAHAAB109.4°109.5°
HAAACAAHAAB109.5°109.5°
HAMCAMHAMA109.5°109.5°
HANCANHANA109.5°109.5°
HAOCAOHAOA109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
BRCASCAHCAJ179.7°180.0°
BRCASCAHCAI178.6°179.9°
BRCASCAICAK179.6°180.0°
BRCASCAHHAH0.3°0.2°
BRCASCAIHAI0.4°0.0°
CAACATCAWOAD1.3°0.0°
CAACATNAPCAL178.8°180.0°
CAACATNAPCAW178.7°180.0°
CAACATCAWCAX175.5°180.0°
CATCAAHAAHAAA120.0°119.9°
CATCAAHAAHAAB120.0°120.0°
CATCAAHAAAHAAB120.0°120.0°
OABCARCAUCAJ10.3°0.1°
OABCARCAUCAK168.8°180.0°
OABCARCAMCAN14.6°0.0°
OABCARCAMCAU173.5°179.9°
OABCARCAMHAM107.1°120.0°
OABCARCAMHAMA136.3°120.0°
OACPAYOAEOAF121.4°120.0°
OACPAYOAEOAQ121.0°120.0°
OACPAYOAFOAQ123.1°120.0°
OACPAYOAQCAO177.6°180.0°
OADCAWCAXCAN7.4°0.1°
OADCAWCATNAP179.9°180.0°
OADCAWCATCAX174.2°179.9°
OADCAWCAXCAV176.4°180.0°
OAEPAYOAFOAQ115.8°120.0°
OAEPAYOAQCAO63.0°60.0°
OAFPAYOAQCAO55.8°60.0°
CAJCAHCASHAH180.0°179.7°
CAJCAHCASCAI1.1°0.0°
CAHCAJCAUHAJ180.0°180.0°
CAHCAJCAUCAK0.1°0.0°
CAHCAJCAUCAR179.1°180.0°
CAHCASCAICAK0.9°0.0°
CASCAHCAJCAU0.6°0.0°
CAHCASCAIHAI179.1°180.0°
CASCAHCAJHAJ179.4°180.0°
CAKCAICASHAI180.0°180.0°
CAICAKCAUCAJ0.3°0.1°
CAICAKCAUHAK180.0°180.0°
CAICAKCAUCAR178.9°180.0°
CASCAICAKCAU0.2°0.1°
CAICASCAHHAH178.9°179.7°
CASCAICAKHAK179.8°180.0°
CAJCAUCAKCAR179.2°179.9°
CAJCAUCARCAM176.3°180.0°
CAUCAJCAHHAH179.4°179.7°
CAJCAUCAKHAK179.8°180.0°
CAKCAUCARCAM4.5°0.1°
CAUCAKCAIHAI179.8°180.0°
CAKCAUCAJHAJ180.0°180.0°
NAPCALCAVHAL180.0°179.7°
NAPCALCAVCAO178.5°180.0°
CALNAPCATCAW0.1°0.0°
NAPCALCAVCAX2.4°0.0°
CALCAVCAXCAN175.4°180.0°
CALCAVCAOOAQ109.7°0.0°
CALCAVCAOCAX179.0°180.0°
CAVCALNAPCAT1.5°0.0°
CALCAVCAXCAW7.5°0.1°
CALCAVCAOHAO11.4°120.0°
CALCAVCAOHAOA129.3°120.0°
CANCAMCARHAM121.7°120.0°
CANCAMCARHAMA121.7°120.0°
CAMCANCAXHAN121.2°119.9°
CAMCANCAXHANA121.2°120.0°
CANCAMCARCAU171.9°180.0°
CAMCANCAXCAV97.2°90.0°
CAMCANCAXCAW70.6°90.1°
CANCAMHAMHAMA114.4°120.0°
CAMCANHANHANA116.2°120.1°
CARCAMCANCAX166.6°180.0°
CARCAMHAMHAMA114.4°120.0°
CARCAMCANHAN72.2°60.0°
CARCAMCANHANA45.4°60.0°
CANCAXCAVCAO5.6°0.0°
CANCAXCAWCAT178.4°180.0°
CANCAXCAVCAW167.9°179.9°
CAXCANCAMHAM71.7°60.0°
CAXCANCAMHAMA44.9°60.0°
CAXCANHANHANA116.2°120.0°
OAQCAOCAVHAO121.0°120.1°
OAQCAOCAVHAOA121.0°120.0°
OAQCAOCAVCAX69.4°179.9°
OAQCAOHAOHAOA116.9°120.1°
CAVCAOOAQPAY156.3°180.0°
CAOCAVCAXCAW173.5°180.0°
CAOCAVCALHAL1.5°0.3°
CAVCAOHAOHAOA116.8°119.9°
NAPCATCAWCAX5.9°0.1°
NAPCATCAAHAA0.0°90.0°
NAPCATCAAHAAA120.0°150.0°
NAPCATCAAHAAB120.0°30.0°
CATNAPCALHAL178.5°179.7°
PAYOAQCAOHAO82.7°60.0°
PAYOAQCAOHAOA35.3°60.1°
CARCAUCAJHAJ0.8°0.1°
CARCAUCAKHAK1.1°0.1°
CAUCARCAMHAM66.4°60.0°
CAUCARCAMHAMA50.2°59.9°
CATCAWCAXCAV9.4°0.1°
CAWCATCAAHAA178.7°89.9°
CAWCATCAAHAAA58.7°30.0°
CAWCATCAAHAAB61.3°150.0°
CATCAWOADHOAD180.0°90.1°
CAXCAVCALHAL177.7°179.7°
CAVCAXCANHAN141.6°30.0°
CAVCAXCANHANA24.0°150.0°
CAXCAVCAOHAO169.6°60.0°
CAXCAVCAOHAOA51.7°60.0°
CAXCAWOADHOAD5.6°90.0°
CAWCAXCANHAN50.5°150.0°
CAWCAXCANHANA168.1°30.0°
HAACAAHAAAHAAB120.0°120.0°
HAHCAHCAJHAJ0.6°0.3°
HAICAICAKHAK0.2°0.0°
HAMCAMCANHAN49.5°59.9°
HAMCAMCANHANA167.1°180.0°
HAMACAMCANHAN166.1°180.0°
HAMACAMCANHANA76.4°60.0°

219869

PDB entries from 2024-05-15

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