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PS8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACAUsing1.51Å1.49Å
CABCAVsing1.51Å1.50Å
CACNBEsing1.46Å1.48Å
OADSBFdoub1.42Å1.44Å
OAESBFdoub1.42Å1.44Å
CL1CAWsing1.74Å1.78Å
CL2CAXsing1.74Å1.79Å
CAHCAIsing1.39Å1.40ÅAromatic
CAHNAQdoub1.32Å1.33ÅAromatic
CAICAYdoub1.40Å1.41ÅAromatic
CAIC11sing1.48Å1.50Å
CAJCAWsing1.38Å1.37ÅAromatic
CAJC11doub1.39Å1.36ÅAromatic
CAKCAXdoub1.38Å1.40ÅAromatic
CAKC11sing1.39Å1.39ÅAromatic
CALCAYsing1.38Å1.39ÅAromatic
CALCBAdoub1.39Å1.41ÅAromatic
CAMCAOsing1.53Å1.53Å
CAMNASsing1.47Å1.47Å
CANCAPsing1.53Å1.52Å
CANNASsing1.47Å1.48Å
CAONBDsing1.47Å1.48Å
CAPNBDsing1.47Å1.48Å
NAQCBAsing1.32Å1.35ÅAromatic
NARCAUdoub1.31Å1.35ÅAromatic
NARNBEsing1.40Å1.41ÅAromatic
NATCBBsing1.41Å1.38Å
NATSBFsing1.66Å1.65Å
CAUCBBsing1.40Å1.39ÅAromatic
CAVCBBdoub1.36Å1.40ÅAromatic
CAVNBEsing1.36Å1.33ÅAromatic
CAWCBCdoub1.38Å1.39ÅAromatic
CAXCBCsing1.38Å1.40ÅAromatic
CBANBDsing1.39Å1.41Å
CBCSBFsing1.76Å1.65Å
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
CAYHAYsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAMHAM1sing1.09Å1.10Å
CAMHAM2sing1.09Å1.10Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
NASHASsing1.01Å1.00Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
NATHATsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACAUNAR123.8°125.8°
CAACAUCBB129.9°125.8°
CAUCAAHAA1109.5°109.5°
CAUCAAHAA2109.5°109.5°
CAUCAAHAA3109.5°109.5°
CABCAVCBB131.4°126.2°
CABCAVNBE124.4°126.2°
CAVCABHAB1109.5°109.4°
CAVCABHAB2109.5°109.4°
CAVCABHAB3109.5°109.5°
CACNBENAR113.8°126.1°
CACNBECAV134.4°126.1°
NBECACHAC1109.5°109.5°
NBECACHAC2109.5°109.5°
NBECACHAC3109.5°109.5°
OADSBFOAE112.8°123.2°
OADSBFNAT110.0°106.4°
OADSBFCBC106.7°106.4°
OAESBFNAT105.0°106.4°
OAESBFCBC113.9°106.4°
CL1CAWCAJ112.4°119.9°
CL1CAWCBC124.0°120.0°
CL2CAXCAK115.7°120.0°
CL2CAXCBC122.3°119.9°
CAICAHNAQ121.7°120.7°
CAHCAICAY119.0°119.1°
CAHCAIC11119.2°120.5°
CAICAHHAH119.2°119.7°
CAHNAQCBA120.8°121.7°
NAQCAHHAH119.2°119.6°
CAYCAIC11121.3°120.4°
CAICAYCAL118.0°118.4°
CAICAYHAY121.0°120.9°
CAIC11CAJ115.2°120.0°
CAIC11CAK127.3°120.1°
CAWCAJC11121.9°119.8°
CAJCAWCBC123.6°120.1°
CAWCAJHAJ119.1°120.0°
CAJC11CAK117.3°119.8°
C11CAJHAJ119.1°120.1°
CAXCAKC11120.7°119.9°
CAKCAXCBC122.0°120.1°
CAXCAKHAK119.6°120.0°
C11CAKHAK119.6°120.0°
CAYCALCBA119.8°119.2°
CALCAYHAY121.0°120.7°
CAYCALHAL120.1°120.4°
CALCBANAQ120.5°120.9°
CALCBANBD122.7°119.6°
CBACALHAL120.1°120.4°
CAOCAMNAS109.6°109.4°
CAMCAONBD112.7°109.3°
CAOCAMHAM1109.4°109.5°
CAOCAMHAM2109.4°109.5°
CAMCAOHAO1108.6°109.5°
CAMCAOHAO2108.6°109.5°
CAMNASCAN111.3°110.9°
NASCAMHAM1109.5°109.5°
NASCAMHAM2109.5°109.5°
CAMNASHAS109.0°111.1°
CAPCANNAS111.6°109.3°
CANCAPNBD107.5°109.4°
CAPCANHAN1109.0°109.5°
CAPCANHAN2108.9°109.5°
CANCAPHAP1110.0°109.5°
CANCAPHAP2109.9°109.5°
CANNASHAS109.0°111.0°
NASCANHAN1108.9°109.5°
NASCANHAN2109.0°109.5°
CAONBDCAP110.3°110.9°
CAONBDCBA105.8°111.0°
NBDCAOHAO1108.7°109.5°
NBDCAOHAO2108.7°109.5°
CAPNBDCBA110.1°111.0°
NBDCAPHAP1110.0°109.5°
NBDCAPHAP2110.0°109.5°
NAQCBANBD116.9°119.6°
CAUNARNBE106.9°108.4°
NARCAUCBB106.3°108.3°
NARNBECAV111.9°107.8°
CBBNATSBF124.3°120.0°
NATCBBCAU123.7°126.1°
NATCBBCAV125.6°126.1°
CBBNATHAT105.7°120.0°
NATSBFCBC108.5°107.2°
SBFNATHAT105.7°120.0°
CAUCBBCAV110.7°107.9°
CBBCAVNBE104.2°107.6°
CAWCBCCAX114.5°120.2°
CAWCBCSBF122.0°119.8°
CAXCBCSBF123.4°119.9°
HAA1CAAHAA2109.5°109.5°
HAA1CAAHAA3109.5°109.4°
HAA2CAAHAA3109.4°109.5°
HAB1CABHAB2109.5°109.4°
HAB1CABHAB3109.5°109.5°
HAB2CABHAB3109.4°109.5°
HAC1CACHAC2109.5°109.4°
HAC1CACHAC3109.5°109.5°
HAC2CACHAC3109.5°109.5°
HAM1CAMHAM2109.5°109.5°
HAO1CAOHAO2109.5°109.5°
HAN1CANHAN2109.4°109.5°
HAP1CAPHAP2109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACAUNARCBB179.6°180.0°
CAACAUNARNBE179.5°180.0°
CAACAUCBBNAT2.4°0.0°
CAACAUCBBCAV179.7°180.0°
CAUCAAHAA1HAA2120.0°120.0°
CAUCAAHAA1HAA3120.0°120.0°
CAUCAAHAA2HAA3120.0°120.0°
CABCAVNBECAC1.5°0.0°
CABCAVNBENAR178.8°180.0°
CABCAVCBBNAT0.9°0.0°
CABCAVCBBCAU178.8°180.0°
CABCAVCBBNBE179.1°180.0°
CAVCABHAB1HAB2120.0°119.9°
CAVCABHAB1HAB3120.0°120.0°
CAVCABHAB2HAB3120.0°120.0°
CACNBENARCAU179.5°180.0°
CACNBENARCAV179.8°180.0°
CACNBECAVCBB179.3°180.0°
NBECACHAC1HAC2120.0°120.0°
NBECACHAC1HAC3120.0°120.0°
NBECACHAC2HAC3120.0°120.0°
OADSBFOAENAT119.8°123.0°
OADSBFOAECBC121.8°122.9°
OADSBFNATCBB158.2°179.8°
OADSBFNATCBC116.3°113.6°
OADSBFCBCCAW147.0°29.3°
OADSBFCBCCAX37.6°150.7°
OADSBFNATHAT79.8°0.2°
OAESBFNATCBB80.2°47.3°
OAESBFNATCBC122.1°113.5°
OAESBFCBCCAW21.9°162.2°
OAESBFCBCCAX162.8°17.8°
OAESBFNATHAT41.8°132.7°
CL1CAWCAJCBC179.3°179.9°
CL1CAWCAJC11179.3°180.0°
CL1CAWCBCCAX179.4°179.9°
CL1CAWCBCSBF3.7°0.1°
CL1CAWCAJHAJ0.7°0.3°
CL2CAXCAKCBC179.3°179.9°
CL2CAXCAKC11177.9°180.0°
CL2CAXCBCCAW179.9°180.0°
CL2CAXCBCSBF4.5°0.1°
CL2CAXCAKHAK2.1°0.1°
CAICAHNAQHAH180.0°179.7°
CAHCAICAYC11172.0°179.9°
CAHCAIC11CAJ28.7°0.1°
CAHCAIC11CAK156.8°180.0°
CAHCAICAYCAL4.3°0.1°
CAICAHNAQCBA3.0°0.0°
CAHCAICAYHAY175.7°180.0°
NAQCAHCAICAY5.2°0.1°
NAQCAHCAIC11177.4°180.0°
CAHNAQCBACAL0.1°0.0°
CAHNAQCBANBD178.8°180.0°
CAYCAIC11CAJ143.2°179.9°
CAYCAIC11CAK31.2°0.1°
CAICAYCALHAY180.0°180.0°
CAICAYCALCBA1.4°0.1°
CAYCAICAHHAH174.7°179.8°
CAICAYCALHAL178.7°180.0°
CAIC11CAJCAW177.1°180.0°
CAIC11CAJCAK175.0°180.0°
CAIC11CAKCAX177.1°180.0°
C11CAICAYCAL176.3°180.0°
C11CAICAHHAH2.6°0.3°
C11CAICAYHAY3.7°0.1°
CAIC11CAJHAJ2.9°0.2°
CAIC11CAKHAK2.9°0.1°
CAWCAJC11HAJ180.0°179.7°
CAWCAJC11CAK2.1°0.0°
CAJCAWCBCCAX1.4°0.0°
CAJCAWCBCSBF177.1°180.0°
CAJC11CAKCAX2.7°0.0°
C11CAJCAWCBC0.0°0.0°
CAJC11CAKHAK177.3°179.9°
CAXCAKC11HAK180.0°180.0°
CAKCAXCBCCAW0.7°0.0°
CAKCAXCBCSBF176.3°180.0°
C11CAKCAXCBC1.4°0.0°
CAKC11CAJHAJ177.9°179.8°
CAYCALCBAHAL180.0°180.0°
CAYCALCBANAQ0.9°0.0°
CAYCALCBANBD179.5°180.0°
CALCBANBDCAO166.1°180.0°
CALCBANBDCAP46.9°56.2°
CALCBANAQNBD178.7°180.0°
CBACALCAYHAY178.6°180.0°
CAOCAMNASHAM1120.0°119.9°
CAOCAMNASHAM2120.0°120.0°
CAOCAMNASCAN53.5°59.4°
CAMCAONBDHAO1120.5°120.0°
CAMCAONBDHAO2120.5°120.0°
CAMCAONBDCAP57.6°59.3°
CAMCAONBDCBA176.7°176.8°
CAOCAMHAM1HAM2119.9°120.1°
CAMCAOHAO1HAO2118.5°120.1°
CAOCAMNASHAS66.8°64.5°
CAMNASCANCAP59.2°59.4°
CAMNASCANHAS120.3°124.0°
NASCAMCAONBD53.5°58.5°
NASCAMHAM1HAM2120.0°120.0°
NASCAMCAOHAO1174.0°178.4°
NASCAMCAOHAO267.0°61.5°
CAMNASCANHAN161.1°60.6°
CAMNASCANHAN2179.6°179.3°
CAPCANNASHAN1120.3°120.0°
CAPCANNASHAN2120.3°119.9°
CANCAPNBDCAO59.1°59.4°
CANCAPNBDHAP1119.7°120.0°
CANCAPNBDHAP2119.7°120.0°
CANCAPNBDCBA175.6°176.8°
CAPCANNASHAS61.1°64.6°
CAPCANHAN1HAN2119.0°120.1°
CANCAPHAP1HAP2120.9°120.1°
NASCANCAPNBD60.8°58.4°
CANNASCAMHAM1173.5°179.3°
CANNASCAMHAM266.5°60.6°
NASCANHAN1HAN2119.0°120.1°
NASCANCAPHAP159.0°61.5°
NASCANCAPHAP2179.6°178.4°
CAONBDCAPCBA116.5°123.9°
CAONBDCBANAQ12.6°0.0°
NBDCAOCAMHAM1173.5°178.4°
NBDCAOCAMHAM266.6°61.6°
NBDCAOHAO1HAO2118.5°120.1°
CAONBDCAPHAP160.6°60.6°
CAONBDCAPHAP2178.8°179.3°
CAPNBDCBANAQ131.8°123.8°
CAPNBDCAOHAO1178.1°179.3°
CAPNBDCAOHAO262.9°60.6°
NBDCAPCANHAN159.6°61.6°
NBDCAPCANHAN2178.9°178.4°
NBDCAPHAP1HAP2121.0°120.1°
CBANAQCAHHAH177.0°179.8°
NAQCBACALHAL179.1°180.0°
NARCAUCBBNAT178.1°180.0°
NARCAUCBBCAV0.2°0.0°
CAUNARNBECAV0.3°0.0°
NARCAUCAAHAA10.0°84.9°
NARCAUCAAHAA2120.0°155.1°
NARCAUCAAHAA3120.0°35.1°
NBENARCAUCBB0.1°0.0°
NARNBECAVCBB0.4°0.0°
NARNBECACHAC10.0°90.1°
NARNBECACHAC2120.0°150.0°
NARNBECACHAC3120.0°30.0°
CBBNATSBFHAT122.0°180.0°
NATCBBCAUCAV177.9°180.0°
NATCBBCAVNBE178.2°180.0°
CBBNATSBFCBC41.9°66.2°
SBFNATCBBCAU93.9°59.7°
SBFNATCBBCAV83.7°120.3°
NATSBFCBCCAW94.5°84.3°
NATSBFCBCCAX80.8°95.7°
CAUCBBCAVNBE0.4°0.0°
CBBCAUCAAHAA1179.4°95.1°
CBBCAUCAAHAA259.4°24.9°
CBBCAUCAAHAA360.6°144.9°
CAUCBBNATHAT28.1°120.4°
CBBCAVCABHAB190.6°90.1°
CBBCAVCABHAB2149.4°150.0°
CBBCAVCABHAB329.5°30.0°
CAVCBBNATHAT154.3°59.6°
NBECAVCABHAB190.5°90.0°
NBECAVCABHAB229.6°29.9°
NBECAVCABHAB3149.5°150.0°
CAVNBECACHAC1179.8°89.9°
CAVNBECACHAC260.2°30.0°
CAVNBECACHAC359.8°150.0°
CAWCBCCAXSBF175.6°180.0°
CBCCAWCAJHAJ180.0°179.7°
CBCCAXCAKHAK178.6°180.0°
NBDCBACALHAL0.4°0.0°
CBANBDCAOHAO162.8°56.9°
CBANBDCAOHAO256.2°63.2°
CBANBDCAPHAP155.9°63.2°
CBANBDCAPHAP264.8°56.8°
CBCSBFNATHAT163.9°113.8°
HAA1CAAHAA2HAA3119.9°120.0°
HAB1CABHAB2HAB3120.0°120.1°
HAC1CACHAC2HAC3120.0°120.0°
HAYCAYCALHAL1.3°0.0°
HAM1CAMCAOHAO166.0°61.7°
HAM1CAMCAOHAO253.0°58.4°
HAM1CAMNASHAS53.3°55.4°
HAM2CAMCAOHAO153.9°58.4°
HAM2CAMCAOHAO2173.0°178.5°
HAM2CAMNASHAS173.2°175.4°
HASNASCANHAN1178.6°175.4°
HASNASCANHAN259.3°55.3°
HAN1CANCAPHAP1179.3°178.5°
HAN1CANCAPHAP260.1°58.4°
HAN2CANCAPHAP161.4°58.4°
HAN2CANCAPHAP259.2°61.7°

221371

PDB entries from 2024-06-19

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