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2CD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACAUsing1.51Å1.49Å
CABCAVsing1.51Å1.49Å
CACNBEsing1.47Å1.46Å
OADSBFdoub1.42Å1.35Å
OAESBFdoub1.42Å1.33Å
CLFCAWsing1.74Å1.75Å
CLGCAXsing1.74Å1.74Å
CAHCAIsing1.38Å1.38ÅAromatic
CAHC14doub1.38Å1.27ÅAromatic
CAICAYdoub1.39Å1.38ÅAromatic
CAJCAWsing1.38Å1.37ÅAromatic
CAJCAZdoub1.39Å1.35ÅAromatic
CAKCAXdoub1.38Å1.36ÅAromatic
CAKCAZsing1.39Å1.36ÅAromatic
CALCAYsing1.39Å1.36ÅAromatic
CALCBAdoub1.38Å1.37ÅAromatic
CAMCAOsing1.53Å1.49Å
CAMNASsing1.47Å1.43Å
CANCAPsing1.53Å1.49Å
CANNASsing1.47Å1.45Å
NARCAUdoub1.31Å1.29ÅAromatic
NARNBEsing1.40Å1.34ÅAromatic
NASC16sing1.47Å1.44Å
NATCBBsing1.41Å1.36Å
NATSBFsing1.66Å1.61Å
CAUCBBsing1.40Å1.36ÅAromatic
CAVCBBdoub1.36Å1.37ÅAromatic
CAVNBEsing1.36Å1.30ÅAromatic
CAWCBCdoub1.38Å1.38ÅAromatic
CAXCBCsing1.38Å1.38ÅAromatic
CAYCAZsing1.48Å1.48Å
CBAC14sing1.38Å1.26ÅAromatic
CBAC16sing1.51Å1.48Å
CBCSBFsing1.76Å1.61Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
CACHAC1sing1.09Å1.10Å
CACHAC2sing1.09Å1.10Å
CACHAC3sing1.09Å1.10Å
CAHHAHsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
C14H14sing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAMHAM1sing1.09Å1.10Å
CAMHAM2sing1.09Å1.10Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CAOHAO3sing1.09Å1.10Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAPHAP3sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
NATHATsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACAUNAR123.5°125.8°
CAACAUCBB130.3°125.8°
CAUCAAHAA1109.5°109.5°
CAUCAAHAA2109.5°109.5°
CAUCAAHAA3109.5°109.4°
CABCAVCBB133.5°126.2°
CABCAVNBE124.5°126.2°
CAVCABHAB1109.5°109.5°
CAVCABHAB2109.5°109.5°
CAVCABHAB3109.5°109.5°
CACNBENAR111.4°126.1°
CACNBECAV135.1°126.1°
NBECACHAC1109.5°109.5°
NBECACHAC2109.4°109.4°
NBECACHAC3109.5°109.4°
OADSBFOAE111.1°123.2°
OADSBFNAT104.6°106.4°
OADSBFCBC116.0°106.4°
OAESBFNAT92.6°106.4°
OAESBFCBC120.9°106.4°
CLFCAWCAJ114.9°119.9°
CLFCAWCBC121.7°120.0°
CLGCAXCAK115.2°120.0°
CLGCAXCBC122.0°120.0°
CAICAHC14121.7°120.1°
CAHCAICAY119.5°119.8°
CAICAHHAH119.2°119.9°
CAHCAIHAI120.3°120.1°
CAHC14CBA121.3°120.3°
C14CAHHAH119.1°120.0°
CAHC14H14119.4°119.8°
CAICAYCAL114.3°119.8°
CAICAYCAZ121.7°120.1°
CAYCAIHAI120.3°120.1°
CAWCAJCAZ121.4°119.9°
CAJCAWCBC123.4°120.1°
CAWCAJHAJ119.3°120.1°
CAJCAZCAK116.5°119.8°
CAJCAZCAY123.5°120.1°
CAZCAJHAJ119.3°120.0°
CAXCAKCAZ122.0°119.9°
CAKCAXCBC122.8°120.0°
CAXCAKHAK119.0°120.0°
CAKCAZCAY119.0°120.1°
CAZCAKHAK119.0°120.1°
CAYCALCBA121.9°119.9°
CALCAYCAZ122.2°120.1°
CAYCALHAL119.0°120.0°
CALCBAC14120.9°120.1°
CALCBAC16117.0°119.9°
CBACALHAL119.1°120.1°
CAOCAMNAS109.6°109.5°
CAOCAMHAM1109.5°109.5°
CAOCAMHAM2109.5°109.5°
CAMCAOHAO1109.5°109.5°
CAMCAOHAO2109.5°109.5°
CAMCAOHAO3109.5°109.5°
CAMNASCAN108.1°111.0°
CAMNASC16112.3°111.0°
NASCAMHAM1109.4°109.5°
NASCAMHAM2109.4°109.4°
CAPCANNAS108.5°109.5°
CAPCANHAN1109.7°109.5°
CAPCANHAN2109.7°109.5°
CANCAPHAP1109.5°109.4°
CANCAPHAP2109.5°109.5°
CANCAPHAP3109.4°109.5°
CANNASC16104.1°111.0°
NASCANHAN1109.7°109.5°
NASCANHAN2109.7°109.5°
CAUNARNBE107.6°108.4°
NARCAUCBB106.2°108.4°
NARNBECAV113.4°107.9°
NASC16CBA122.2°109.4°
NASC16H161106.2°109.5°
NASC16H162106.2°109.4°
CBBNATSBF128.1°120.0°
NATCBBCAU120.9°126.1°
NATCBBCAV128.4°126.1°
CBBNATHAT104.6°120.0°
NATSBFCBC107.5°107.2°
SBFNATHAT104.6°120.0°
CAUCBBCAV110.7°107.9°
CBBCAVNBE101.9°107.5°
CAWCBCCAX113.8°120.2°
CAWCBCSBF122.4°119.9°
CAXCBCSBF123.1°119.9°
C14CBAC16122.0°120.0°
CBAC14H14119.4°119.9°
CBAC16H161106.2°109.5°
CBAC16H162106.2°109.5°
HAA1CAAHAA2109.5°109.5°
HAA1CAAHAA3109.5°109.5°
HAA2CAAHAA3109.5°109.5°
HAB1CABHAB2109.4°109.5°
HAB1CABHAB3109.5°109.4°
HAB2CABHAB3109.5°109.4°
HAC1CACHAC2109.5°109.4°
HAC1CACHAC3109.5°109.5°
HAC2CACHAC3109.5°109.5°
HAM1CAMHAM2109.5°109.4°
HAO1CAOHAO2109.5°109.5°
HAO1CAOHAO3109.4°109.4°
HAO2CAOHAO3109.5°109.5°
HAN1CANHAN2109.5°109.4°
HAP1CAPHAP2109.5°109.5°
HAP1CAPHAP3109.5°109.5°
HAP2CAPHAP3109.5°109.4°
H161C16H162109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACAUNARCBB179.3°180.0°
CAACAUNARNBE179.9°180.0°
CAACAUCBBNAT3.0°0.1°
CAACAUCBBCAV178.7°180.0°
CAUCAAHAA1HAA2120.0°120.0°
CAUCAAHAA1HAA3120.0°120.0°
CAUCAAHAA2HAA3120.0°120.0°
CABCAVNBECAC3.0°0.1°
CABCAVNBENAR179.6°180.0°
CABCAVCBBNAT0.6°0.1°
CABCAVCBBCAU178.7°180.0°
CABCAVCBBNBE177.1°179.9°
CAVCABHAB1HAB2120.0°120.1°
CAVCABHAB1HAB3120.0°120.0°
CAVCABHAB2HAB3120.0°120.0°
CACNBENARCAU180.0°180.0°
CACNBENARCAV178.1°179.9°
CACNBECAVCBB179.6°180.0°
NBECACHAC1HAC2120.0°119.9°
NBECACHAC1HAC3120.0°120.0°
NBECACHAC2HAC3120.0°120.0°
OADSBFOAENAT106.7°122.9°
OADSBFOAECBC141.1°123.0°
OADSBFNATCBB73.6°179.6°
OADSBFNATCBC123.8°113.6°
OADSBFCBCCAW179.7°30.8°
OADSBFCBCCAX10.0°149.2°
OADSBFNATHAT48.8°0.4°
OAESBFNATCBB173.8°47.5°
OAESBFNATCBC123.6°113.5°
OAESBFCBCCAW40.3°163.7°
OAESBFCBCCAX149.4°16.2°
OAESBFNATHAT63.8°132.5°
CLFCAWCAJCBC177.5°180.0°
CLFCAWCAJCAZ176.2°180.0°
CLFCAWCBCCAX179.3°180.0°
CLFCAWCBCSBF9.6°0.0°
CLFCAWCAJHAJ3.8°0.3°
CLGCAXCAKCBC177.3°179.9°
CLGCAXCAKCAZ175.8°180.0°
CLGCAXCBCCAW179.0°180.0°
CLGCAXCBCSBF10.0°0.0°
CLGCAXCAKHAK4.2°0.1°
CAICAHC14HAH180.0°179.7°
CAHCAICAYHAI180.0°180.0°
CAHCAICAYCAL7.5°0.0°
CAHCAICAYCAZ172.5°180.0°
CAICAHC14CBA0.5°0.0°
CAICAHC14H14179.5°180.0°
C14CAHCAICAY3.7°0.0°
CAHC14CBACAL0.5°0.0°
CAHC14CBAH14180.0°180.0°
CAHC14CBAC16177.9°179.9°
C14CAHCAIHAI176.3°180.0°
CAICAYCAZCAJ19.1°0.0°
CAICAYCAZCAK149.2°NaN°
CAICAYCALCAZ164.9°180.0°
CAICAYCALCBA7.7°0.0°
CAYCAICAHHAH176.2°179.7°
CAICAYCALHAL172.3°180.0°
CAWCAJCAZHAJ180.0°179.7°
CAWCAJCAZCAK4.6°0.0°
CAJCAWCBCCAX1.9°0.0°
CAWCAJCAZCAY173.2°180.0°
CAJCAWCBCSBF173.0°180.0°
CAJCAZCAKCAX4.7°0.0°
CAJCAZCAKCAY169.1°180.0°
CAJCAZCAYCAL177.1°180.0°
CAZCAJCAWCBC1.4°0.0°
CAJCAZCAKHAK175.3°179.9°
CAXCAKCAZHAK180.0°179.9°
CAKCAXCBCCAW1.8°0.0°
CAXCAKCAZCAY173.8°180.0°
CAKCAXCBCSBF172.9°180.0°
CAKCAZCAYCAL14.6°0.0°
CAZCAKCAXCBC1.5°0.0°
CAKCAZCAJHAJ175.3°179.8°
CAYCALCBAHAL180.0°180.0°
CAYCALCBAC144.0°0.0°
CAYCALCBAC16173.6°180.0°
CALCAYCAIHAI172.6°179.9°
CALCBAC16NAS102.2°96.2°
CBACALCAYCAZ172.6°180.0°
CALCBAC14C16177.4°179.9°
CALCBAC14H14179.5°180.0°
CALCBAC16H161136.0°23.8°
CALCBAC16H16219.5°143.8°
CAOCAMNASHAM1120.0°120.1°
CAOCAMNASHAM2120.0°120.0°
CAOCAMNASCAN49.2°66.0°
CAOCAMNASC1665.1°170.0°
CAOCAMHAM1HAM2120.0°120.0°
CAMCAOHAO1HAO2120.0°120.0°
CAMCAOHAO1HAO3120.0°120.0°
CAMCAOHAO2HAO3120.0°120.1°
CAMNASCANCAP131.8°165.5°
CAMNASCANC16119.6°123.9°
CAMNASC16CBA43.7°71.6°
NASCAMHAM1HAM2119.9°120.0°
NASCAMCAOHAO1180.0°180.0°
NASCAMCAOHAO260.0°60.1°
NASCAMCAOHAO360.0°60.0°
CAMNASCANHAN1108.3°45.5°
CAMNASCANHAN212.0°74.5°
CAMNASC16H161165.4°48.4°
CAMNASC16H16278.1°168.4°
CAPCANNASHAN1119.8°120.0°
CAPCANNASHAN2119.9°120.0°
CAPCANNASC16108.6°70.6°
CAPCANHAN1HAN2120.5°120.0°
CANCAPHAP1HAP2120.0°120.0°
CANCAPHAP1HAP3120.0°120.0°
CANCAPHAP2HAP3120.0°120.0°
CANNASC16CBA160.4°164.4°
CANNASCAMHAM1169.2°173.9°
CANNASCAMHAM270.8°54.0°
NASCANHAN1HAN2120.5°120.0°
NASCANCAPHAP1180.0°66.0°
NASCANCAPHAP260.0°174.0°
NASCANCAPHAP360.0°54.0°
CANNASC16H16177.8°75.6°
CANNASC16H16238.6°44.4°
NARCAUCBBNAT177.7°180.0°
NARCAUCBBCAV0.6°0.1°
CAUNARNBECAV2.0°0.0°
NARCAUCAAHAA10.0°85.0°
NARCAUCAAHAA2120.0°155.1°
NARCAUCAAHAA3120.0°35.1°
NBENARCAUCBB0.8°0.0°
NARNBECAVCBB2.2°0.1°
NARNBECACHAC10.0°90.0°
NARNBECACHAC2120.0°150.0°
NARNBECACHAC3120.0°30.0°
NASC16CBAC1480.2°83.8°
NASC16CBAH161121.8°120.0°
NASC16CBAH162121.8°119.9°
C16NASCAMHAM155.0°49.9°
C16NASCAMHAM2174.9°70.0°
C16NASCANHAN111.3°169.4°
C16NASCANHAN2131.6°49.5°
NASC16H161H162114.2°119.9°
CBBNATSBFHAT122.5°180.0°
NATCBBCAUCAV178.3°179.9°
NATCBBCAVNBE176.4°180.0°
CBBNATSBFCBC50.2°66.1°
SBFNATCBBCAU93.8°60.0°
SBFNATCBBCAV84.2°120.1°
NATSBFCBCCAW63.7°82.7°
NATSBFCBCCAX106.5°97.3°
CAUCBBCAVNBE1.7°0.1°
CBBCAUCAAHAA1179.2°95.0°
CBBCAUCAAHAA259.2°25.0°
CBBCAUCAAHAA360.8°145.0°
CAUCBBNATHAT28.7°120.0°
CBBCAVCABHAB192.0°89.9°
CBBCAVCABHAB2148.0°150.1°
CBBCAVCABHAB328.0°30.1°
CAVCBBNATHAT153.4°59.9°
NBECAVCABHAB191.4°90.0°
NBECAVCABHAB228.5°30.1°
NBECAVCABHAB3148.5°150.0°
CAVNBECACHAC1177.5°89.9°
CAVNBECACHAC262.5°30.1°
CAVNBECACHAC357.5°150.1°
CAWCBCCAXSBF171.0°180.0°
CBCCAWCAJHAJ178.6°179.8°
CBCCAXCAKHAK178.5°180.0°
CAZCAYCAIHAI7.6°0.0°
CAYCAZCAJHAJ6.8°0.2°
CAYCAZCAKHAK6.1°0.1°
CAZCAYCALHAL7.4°0.0°
CBAC14CAHHAH179.5°179.7°
C14CBACALHAL176.0°180.0°
C14CBAC16H16141.5°156.2°
C14CBAC16H162158.0°36.1°
C16CBAC14H142.1°0.1°
C16CBACALHAL6.4°0.0°
CBAC16H161H162114.3°120.1°
CBCSBFNATHAT172.7°114.0°
HAA1CAAHAA2HAA3120.0°120.0°
HAB1CABHAB2HAB3120.0°119.9°
HAC1CACHAC2HAC3120.0°120.1°
HAHCAHCAIHAI3.7°0.3°
HAHCAHC14H140.5°0.3°
HAM1CAMCAOHAO160.0°60.0°
HAM1CAMCAOHAO260.0°60.0°
HAM1CAMCAOHAO3NaN°179.9°
HAM2CAMCAOHAO160.0°60.0°
HAM2CAMCAOHAO2180.0°180.0°
HAM2CAMCAOHAO360.0°59.9°
HAO1CAOHAO2HAO3120.0°120.0°
HAN1CANCAPHAP160.2°174.0°
HAN1CANCAPHAP259.8°54.0°
HAN1CANCAPHAP3179.8°66.0°
HAN2CANCAPHAP160.1°54.0°
HAN2CANCAPHAP2179.9°66.0°
HAN2CANCAPHAP359.9°174.0°
HAP1CAPHAP2HAP3120.0°120.0°

221716

PDB entries from 2024-06-26

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