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O44

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAMCALsing1.53Å1.53Å
CAMCANsing1.53Å1.53Å
CALCAKsing1.51Å1.50Å
CALCANsing1.53Å1.52Å
NAOCAKdoub1.31Å1.35ÅAromatic
NAONAPsing1.40Å1.40ÅAromatic
CAKCAJsing1.40Å1.40ÅAromatic
NAPCAIsing1.36Å1.34ÅAromatic
CAJCAIdoub1.36Å1.40ÅAromatic
SBHOBIdoub1.42Å1.44Å
SBHOBJdoub1.42Å1.44Å
SBHCBEsing1.76Å1.61Å
CAINAHsing1.39Å1.36Å
CBFCBEdoub1.38Å1.38ÅAromatic
CBFCBGsing1.38Å1.39ÅAromatic
CBECBDsing1.38Å1.40ÅAromatic
NAHC4sing1.39Å1.36Å
CBGCBBdoub1.38Å1.39ÅAromatic
C4N3doub1.33Å1.35ÅAromatic
C4C5sing1.40Å1.39ÅAromatic
N3C2sing1.33Å1.35ÅAromatic
CBDCBCdoub1.38Å1.40ÅAromatic
CAWCAVsing1.53Å1.53Å
CAWNAXsing1.47Å1.47Å
C5C6doub1.39Å1.40ÅAromatic
CBBCBCsing1.38Å1.39ÅAromatic
CBBCBAsing1.51Å1.51Å
CAVNAAsing1.47Å1.46Å
C2NAAsing1.38Å1.40Å
C2N1doub1.32Å1.36ÅAromatic
CBANAXsing1.47Å1.46Å
C6N1sing1.33Å1.36ÅAromatic
C6CAQsing1.48Å1.51Å
NAACAZsing1.47Å1.46Å
OAUCAQdoub1.21Å1.23Å
NAXCAYsing1.47Å1.47Å
CAYCAZsing1.53Å1.52Å
CAQNARsing1.35Å1.34Å
NARCASsing1.46Å1.45Å
CASCATsing1.47Å1.47Å
CATCBLtrip1.17Å1.28Å
CBDH3sing1.08Å1.08Å
CBCH4sing1.08Å1.08Å
CBFH5sing1.08Å1.08Å
CBGH6sing1.08Å1.08Å
CBAH7sing1.09Å1.10Å
CBAH8sing1.09Å1.10Å
CAYH10sing1.09Å1.10Å
CAYH11sing1.09Å1.10Å
CAZH12sing1.09Å1.10Å
CAZH13sing1.09Å1.10Å
CAWH14sing1.09Å1.10Å
CAWH15sing1.09Å1.10Å
CAVH16sing1.09Å1.10Å
CAVH17sing1.09Å1.10Å
NARH18sing0.97Å1.00Å
CASH19sing1.09Å1.10Å
CASH20sing1.09Å1.10Å
CBLH21sing1.05Å1.06Å
C5H22sing1.08Å1.08Å
NAHH23sing0.97Å1.00Å
CAJH24sing1.08Å1.08Å
NAPH25sing0.97Å1.00Å
CALH26sing1.09Å1.10Å
CANH27sing1.09Å1.10Å
CANH28sing1.09Å1.10Å
CAMH29sing1.09Å1.10Å
CAMH30sing1.09Å1.10Å
SBHF1sing1.61Å1.61Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CALCAMCAN59.9°60.0°
CAMCALCAK113.7°117.5°
CAMCALCAN60.0°60.0°
CAMCALH26118.7°117.5°
CALCAMH29120.0°117.5°
CALCAMH30120.0°117.5°
CAMCANCAL60.2°60.0°
CAMCANH27120.0°117.5°
CAMCANH28120.0°117.5°
CANCAMH29120.0°117.5°
CANCAMH30120.0°117.5°
CAKCALCAN112.7°117.5°
CALCAKNAO129.1°125.8°
CALCAKCAJ121.0°125.8°
CAKCALH26119.2°115.5°
CANCALH26118.8°117.5°
CALCANH27120.0°117.5°
CALCANH28120.0°117.5°
CAKNAONAP108.6°108.4°
NAOCAKCAJ109.9°108.4°
NAONAPCAI106.1°107.8°
NAONAPH25127.0°126.1°
CAKCAJCAI103.7°107.9°
CAKCAJH24128.1°126.0°
NAPCAICAJ111.8°107.5°
NAPCAINAH110.6°126.3°
CAINAPH25126.9°126.1°
CAJCAINAH137.6°126.2°
CAICAJH24128.2°126.1°
OBISBHOBJ110.1°123.1°
OBISBHCBE110.1°106.4°
OBISBHF1107.4°106.4°
OBJSBHCBE110.6°106.4°
OBJSBHF1108.4°106.4°
SBHCBECBF118.2°120.0°
SBHCBECBD123.0°120.0°
CBESBHF1110.2°107.3°
CAINAHC4125.8°120.0°
CAINAHH23117.1°120.0°
CBECBFCBG120.1°120.0°
CBFCBECBD118.9°120.0°
CBECBFH5119.9°120.0°
CBFCBGCBB121.5°120.0°
CBGCBFH5120.0°120.0°
CBFCBGH6119.2°120.0°
CBECBDCBC121.0°120.0°
CBECBDH3119.5°120.0°
NAHC4N3121.8°120.5°
NAHC4C5118.7°120.5°
C4NAHH23117.1°120.0°
CBGCBBCBC119.1°120.0°
CBGCBBCBA116.3°120.0°
CBBCBGH6119.2°120.0°
N3C4C5119.5°119.0°
C4N3C2120.1°120.8°
C4C5C6119.9°118.3°
C4C5H22120.1°120.8°
N3C2NAA119.1°119.1°
N3C2N1121.5°121.8°
CBDCBCCBB119.4°120.0°
CBCCBDH3119.5°120.0°
CBDCBCH4120.3°120.0°
CAVCAWNAX108.9°109.3°
CAWCAVNAA107.9°109.4°
CAVCAWH14109.6°109.5°
CAVCAWH15109.6°109.5°
CAWCAVH16109.9°109.5°
CAWCAVH17109.9°109.5°
CAWNAXCBA111.9°111.0°
CAWNAXCAY108.5°110.9°
NAXCAWH14109.6°109.5°
NAXCAWH15109.6°109.5°
C5C6N1118.6°119.1°
C5C6CAQ119.8°120.5°
C6C5H22120.0°120.8°
CBCCBBCBA124.5°120.0°
CBBCBCH4120.3°120.1°
CBBCBANAX119.9°109.5°
CBBCBAH7106.8°109.5°
CBBCBAH8106.8°109.5°
CAVNAAC2119.8°111.0°
CAVNAACAZ121.9°110.9°
NAACAVH16109.8°109.6°
NAACAVH17109.9°109.5°
NAAC2N1119.3°119.1°
C2NAACAZ118.3°111.0°
C2N1C6120.5°120.9°
CBANAXCAY104.8°111.0°
NAXCBAH7106.8°109.5°
NAXCBAH8106.8°109.4°
N1C6CAQ121.6°120.5°
C6CAQOAU116.6°120.0°
C6CAQNAR119.9°120.0°
NAACAZCAY108.3°109.4°
NAACAZH12109.8°109.5°
NAACAZH13109.8°109.5°
OAUCAQNAR123.5°120.0°
NAXCAYCAZ110.8°109.4°
NAXCAYH10109.1°109.5°
NAXCAYH11109.2°109.5°
CAZCAYH10109.2°109.5°
CAZCAYH11109.1°109.5°
CAYCAZH12109.8°109.5°
CAYCAZH13109.8°109.5°
CAQNARCAS123.8°120.0°
CAQNARH18118.1°120.0°
NARCASCAT111.9°109.5°
CASNARH18118.1°120.0°
NARCASH19108.9°109.5°
NARCASH20108.9°109.5°
CASCATCBL179.3°180.0°
CATCASH19108.9°109.5°
CATCASH20108.9°109.4°
CATCBLH21180.0°179.9°
H7CBAH8109.5°109.5°
H10CAYH11109.5°109.5°
H12CAZH13109.5°109.5°
H14CAWH15109.5°109.5°
H16CAVH17109.5°109.4°
H19CASH20109.4°109.4°
H27CANH28109.5°115.6°
H29CAMH30109.5°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CALCAMCANH29109.4°107.5°
CALCAMCANH30109.4°107.5°
CAMCALCAKCAN65.9°68.6°
CAMCALCAKH26147.8°145.6°
CAMCALCANH26108.4°107.5°
CAMCALCAKNAO161.6°163.6°
CAMCALCAKCAJ18.5°16.3°
CALCAMCANH27109.5°107.4°
CALCAMCANH28109.5°107.5°
CALCAMH29H30144.8°145.7°
CAMCANH27H28144.6°145.8°
CANCAMH29H30144.8°145.7°
CAKCALCANH26146.5°145.1°
CALCAKNAOCAJ179.9°179.9°
CALCAKNAONAP179.6°180.0°
CALCAKCAJCAI179.9°179.9°
CALCAKCAJH240.1°0.1°
CAKCALCANH27145.3°0.0°
CAKCALCANH284.4°145.0°
CAKCALCAMH29147.1°145.0°
CAKCALCAMH305.9°0.1°
CANCALCAKNAO132.6°95.0°
CANCALCAKCAJ47.4°84.9°
CALCANH27H28144.6°145.6°
CAKNAONAPCAI0.7°0.1°
NAOCAKCAJCAI0.1°0.2°
NAOCAKCAJH24179.9°179.8°
CAKNAONAPH25179.3°179.9°
NAOCAKCALH2613.8°50.8°
NAPNAOCAKCAJ0.4°0.0°
NAONAPCAIH25180.0°180.0°
NAONAPCAICAJ0.8°0.3°
NAONAPCAINAH179.9°180.0°
CAKCAJCAINAP0.6°0.3°
CAKCAJCAIH24180.0°179.9°
CAKCAJCAINAH179.6°180.0°
CAJCAKCALH26166.3°129.3°
NAPCAICAJNAH179.1°179.7°
NAPCAINAHC4164.8°173.8°
NAPCAINAHH2315.2°6.1°
NAPCAICAJH24179.4°179.7°
CAJCAINAHC416.2°6.5°
CAJCAINAHH23163.9°173.5°
CAJCAINAPH25179.2°179.7°
OBISBHOBJCBE121.9°122.9°
OBISBHOBJF1117.2°122.9°
OBISBHCBEF1118.2°113.6°
OBISBHCBECBF75.1°90.3°
OBISBHCBECBD103.9°90.0°
OBJSBHCBEF1119.9°113.5°
OBJSBHCBECBF163.0°136.8°
OBJSBHCBECBD18.0°42.9°
SBHCBECBFCBD179.1°179.7°
SBHCBECBFCBG179.4°180.0°
SBHCBECBDCBC179.1°180.0°
SBHCBECBDH30.9°0.1°
SBHCBECBFH50.5°0.0°
CAINAHC4H23180.0°180.0°
CAINAHC4N36.1°5.1°
CAINAHC4C5173.6°174.9°
NAHCAICAJH240.4°0.1°
NAHCAINAPH250.1°0.1°
CBECBFCBGH5180.0°180.0°
CBECBFCBGCBB0.3°0.0°
CBFCBECBDCBC0.0°0.3°
CBFCBECBDH3179.9°179.8°
CBECBFCBGH6179.7°179.9°
CBFCBESBHF143.1°23.3°
CBGCBFCBECBD0.4°0.3°
CBFCBGCBBH6180.0°179.9°
CBFCBGCBBCBC1.2°0.3°
CBFCBGCBBCBA178.1°180.0°
CBECBDCBCH3180.0°179.9°
CBECBDCBCCBB0.9°0.0°
CBECBDCBCH4179.1°180.0°
CBDCBECBFH5179.6°179.7°
CBDCBESBHF1137.9°156.4°
NAHC4N3C5179.7°180.0°
NAHC4N3C2179.9°180.0°
NAHC4C5C6179.2°179.7°
NAHC4C5H220.8°0.0°
CBGCBBCBCCBD1.5°0.2°
CBGCBBCBCCBA176.7°179.7°
CBGCBBCBANAX124.2°90.0°
CBGCBBCBCH4178.5°179.8°
CBBCBGCBFH5179.8°180.0°
CBGCBBCBAH7114.3°150.0°
CBGCBBCBAH82.8°30.0°
N3C4C5C60.5°0.3°
C4N3C2NAA179.2°180.0°
C4N3C2N10.6°0.3°
N3C4C5H22179.5°180.0°
N3C4NAHH23173.9°175.0°
C5C4N3C20.2°0.0°
C4C5C6H22180.0°179.8°
C4C5C6N10.8°0.3°
C4C5C6CAQ179.9°179.8°
C5C4NAHH236.5°5.0°
N3C2NAACAV0.5°179.7°
N3C2NAAN1179.8°179.8°
N3C2N1C60.2°0.3°
N3C2NAACAZ177.9°56.4°
CBDCBCCBBH4180.0°180.0°
CBDCBCCBBCBA178.2°180.0°
CAVCAWNAXH14119.9°120.0°
CAVCAWNAXH15119.9°119.9°
CAWCAVNAAH16119.8°120.0°
CAWCAVNAAH17119.8°120.0°
CAWCAVNAAC2136.1°176.8°
CAVCAWNAXCBA177.7°176.8°
CAWCAVNAACAZ46.6°59.3°
CAVCAWNAXCAY67.1°59.3°
CAVCAWH14H15120.3°120.1°
CAWCAVH16H17120.8°120.0°
CAWNAXCBACBB47.3°66.2°
NAXCAWCAVNAA54.8°58.4°
CAWNAXCBACAY117.4°123.8°
CAWNAXCAYCAZ65.2°59.3°
CAWNAXCBAH7168.8°173.8°
CAWNAXCBAH874.1°53.8°
CAWNAXCAYH10174.6°179.3°
CAWNAXCAYH1155.0°60.6°
NAXCAWH14H15120.3°120.1°
NAXCAWCAVH16174.6°178.4°
NAXCAWCAVH1764.9°61.6°
C5C6N1C20.5°0.0°
C5C6N1CAQ179.0°179.9°
C5C6CAQOAU1.2°0.1°
C5C6CAQNAR179.7°180.0°
CBCCBBCBANAX59.0°90.3°
CBBCBCCBDH3179.1°180.0°
CBCCBBCBGH6178.8°179.7°
CBCCBBCBAH762.4°29.7°
CBCCBBCBAH8179.5°149.7°
CBBCBANAXH7121.5°120.0°
CBBCBANAXH8121.4°120.0°
CBBCBANAXCAY164.7°170.0°
CBACBBCBCH41.8°0.0°
CBACBBCBGH61.8°0.1°
CBBCBAH7H8115.3°120.0°
CAVNAAC2CAZ177.4°123.8°
CAVNAAC2N1179.3°0.0°
CAVNAACAZCAY44.1°59.3°
CAVNAACAZH12163.9°60.7°
CAVNAACAZH1375.7°179.3°
NAACAVCAWH14174.7°61.6°
NAACAVCAWH1565.1°178.3°
NAACAVH16H17120.7°120.1°
NAAC2N1C6179.6°180.0°
C2NAACAZCAY138.6°176.8°
C2NAACAZH1218.7°63.2°
C2NAACAZH13101.6°56.8°
C2NAACAVH1616.3°56.8°
C2NAACAVH17104.2°63.2°
C2N1C6CAQ179.5°179.9°
N1C2NAACAZ1.9°123.8°
CBANAXCAYCAZ175.2°176.8°
NAXCBAH7H8115.3°120.0°
CBANAXCAYH1055.0°56.8°
CBANAXCAYH1164.7°63.3°
CBANAXCAWH1457.8°63.2°
CBANAXCAWH1562.4°56.9°
N1C6CAQOAU179.8°180.0°
N1C6CAQNAR0.7°0.0°
N1C6C5H22179.2°180.0°
C6CAQOAUNAR179.1°180.0°
C6CAQNARCAS153.7°180.0°
C6CAQNARH1826.3°0.0°
CAQC6C5H220.1°0.0°
NAACAZCAYNAX50.3°58.4°
NAACAZCAYH12119.8°120.0°
NAACAZCAYH13119.8°120.0°
NAACAZCAYH10170.5°178.4°
NAACAZCAYH1169.9°61.6°
NAACAZH12H13120.5°120.0°
CAZNAACAVH16166.4°179.3°
CAZNAACAVH1773.1°60.7°
OAUCAQNARCAS27.3°0.0°
OAUCAQNARH18152.7°180.0°
NAXCAYCAZH10120.2°120.0°
NAXCAYCAZH11120.2°119.9°
CAYNAXCBAH773.8°50.0°
CAYNAXCBAH843.3°70.0°
NAXCAYH10H11119.4°120.0°
NAXCAYCAZH12170.1°61.6°
NAXCAYCAZH1369.5°178.4°
CAYNAXCAWH14173.0°60.7°
CAYNAXCAWH1552.8°179.2°
CAZCAYH10H11119.4°120.0°
CAYCAZH12H13120.6°120.1°
CAQNARCASH18180.0°180.0°
CAQNARCASCAT16.9°180.0°
CAQNARCASH19137.2°60.0°
CAQNARCASH20103.5°60.0°
NARCASCATH19120.4°120.1°
NARCASCATH20120.4°120.0°
NARCASCATCBL83.0°94.1°
NARCASH19H20118.9°120.0°
CATCASNARH18163.1°0.0°
CATCASH19H20118.9°119.9°
CASCATCBLH21177.8°134.8°
CBLCATCASH19156.6°26.0°
CBLCATCASH2037.4°145.9°
H3CBDCBCH40.9°0.1°
H5CBFCBGH60.3°0.0°
H10CAYCAZH1269.7°58.4°
H10CAYCAZH1350.7°61.6°
H11CAYCAZH1249.9°178.5°
H11CAYCAZH13170.3°58.4°
H14CAWCAVH1665.5°58.5°
H14CAWCAVH1755.0°178.4°
H15CAWCAVH1654.7°61.7°
H15CAWCAVH17175.2°58.3°
H18NARCASH1942.8°120.1°
H18NARCASH2076.5°120.0°
H26CALCANH271.2°145.0°
H26CALCANH28142.1°0.0°
H26CALCAMH291.0°0.0°
H26CALCAMH30142.1°145.0°
H27CANCAMH290.1°145.1°
H27CANCAMH30141.0°0.0°
H28CANCAMH29141.1°0.0°
H28CANCAMH300.1°145.0°

223532

PDB entries from 2024-08-07

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