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PRD_002050

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
COdoub1.21Å1.25Å
CCAsing1.51Å1.52Å
COXTsing1.34Å1.25Å
NCAsing1.47Å1.47Å
NCBIsing1.47Å1.47Å
CACBsing1.53Å1.53Å
CBCATsing1.53Å1.53Å
NAACAQsing1.47Å1.48Å
OACCBBsing1.34Å1.24Å
OADCBCdoub1.21Å1.23Å
OAFCBBdoub1.21Å1.24Å
CAGCAHsing1.38Å1.40ÅAromatic
CAGCAIdoub1.38Å1.40ÅAromatic
CAHCALdoub1.38Å1.39ÅAromatic
CAICAMsing1.38Å1.40ÅAromatic
CAJCAKsing1.39Å1.39ÅAromatic
CAJCANdoub1.38Å1.39ÅAromatic
CAKCAOdoub1.37Å1.39ÅAromatic
CALCBDsing1.38Å1.40ÅAromatic
CAMCBDdoub1.38Å1.40ÅAromatic
CANCBFsing1.39Å1.40ÅAromatic
CAOCBGsing1.40Å1.40ÅAromatic
CAPCBEdoub1.34Å1.33ÅAromatic
CAPNXZsing1.37Å1.33ÅAromatic
CAQCARsing1.53Å1.53Å
CARCASsing1.53Å1.53Å
CASCAUsing1.53Å1.53Å
CATCBDsing1.51Å1.53Å
CAUCBIsing1.53Å1.54Å
CAWCBEsing1.51Å1.54Å
CAWCBJsing1.53Å1.54Å
NAXCBCsing1.35Å1.34Å
NAXCBJsing1.47Å1.49Å
CBBCBJsing1.51Å1.54Å
CBCCBIsing1.51Å1.54Å
CBECBGsing1.46Å1.40ÅAromatic
CBFCBGdoub1.41Å1.39ÅAromatic
CBFNXZsing1.38Å1.33ÅAromatic
CAHAsing1.09Å1.10Å
OXTHXTsing0.97Å0.95Å
NHsing1.01Å1.00Å
CBIHBIsing1.09Å1.10Å
CBHB1Csing1.09Å1.10Å
CBHB2Csing1.09Å1.10Å
CATHAT1sing1.09Å1.10Å
CATHAT2sing1.09Å1.10Å
NAAHAA1sing1.01Å1.00Å
NAAHAA2sing1.01Å1.00Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
OACHACsing0.97Å0.95Å
CAGHAGsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CANHANsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
NXZHXZsing0.97Å1.00Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CAUHAU1sing1.09Å1.10Å
CAUHAU2sing1.09Å1.10Å
CAWHAW1sing1.09Å1.10Å
CAWHAW2sing1.09Å1.10Å
CBJHBJsing1.09Å1.10Å
NAXHAXsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCCA117.4°120.0°
OCOXT126.1°120.0°
CACOXT116.5°120.0°
CCAN110.1°109.5°
CCACB110.3°109.5°
CCAHA108.5°109.4°
COXTHXT109.5°117.0°
CANCBI114.9°111.0°
NCACB109.4°109.5°
NCAHA109.4°109.5°
CANH107.7°111.0°
NCBICAU103.7°109.5°
NCBICBC111.3°109.5°
CBINH107.7°111.0°
NCBIHBI112.4°109.5°
CACBCAT110.2°109.4°
CBCAHA109.2°109.5°
CACBHB1C109.2°109.5°
CACBHB2C109.0°109.4°
CBCATCBD113.9°109.4°
CATCBHB1C109.2°109.5°
CATCBHB2C109.1°109.5°
CBCATHAT1108.0°109.5°
CBCATHAT2107.0°109.4°
NAACAQCAR109.6°109.5°
CAQNAAHAA1109.5°111.0°
CAQNAAHAA2109.4°111.0°
NAACAQHAQ1109.4°109.5°
NAACAQHAQ2109.4°109.5°
OACCBBOAF126.1°120.0°
OACCBBCBJ113.9°120.0°
CBBOACHAC109.5°117.0°
OADCBCNAX126.0°120.0°
OADCBCCBI120.6°120.0°
OAFCBBCBJ120.0°120.0°
CAHCAGCAI119.9°120.0°
CAGCAHCAL120.0°120.0°
CAHCAGHAG120.0°120.0°
CAGCAHHAH120.0°120.0°
CAGCAICAM120.0°120.0°
CAICAGHAG120.1°120.0°
CAGCAIHAI120.0°120.0°
CAHCALCBD120.2°120.0°
CALCAHHAH120.0°120.0°
CAHCALHAL119.9°120.0°
CAICAMCBD120.2°120.0°
CAMCAIHAI120.0°120.0°
CAICAMHAM119.9°120.0°
CAKCAJCAN119.6°120.7°
CAJCAKCAO120.0°120.5°
CAKCAJHAJ120.2°119.7°
CAJCAKHAK120.0°119.7°
CAJCANCBF120.2°119.7°
CANCAJHAJ120.2°119.6°
CAJCANHAN119.9°120.2°
CAKCAOCBG120.5°119.8°
CAOCAKHAK120.0°119.8°
CAKCAOHAO119.7°120.1°
CALCBDCAM119.6°120.0°
CALCBDCAT118.8°120.0°
CBDCALHAL119.9°120.0°
CAMCBDCAT121.6°120.0°
CBDCAMHAM119.9°120.0°
CANCBFCBG120.4°119.3°
CANCBFNXZ132.2°133.5°
CBFCANHAN119.9°120.1°
CAOCBGCBE134.2°134.1°
CAOCBGCBF119.3°119.9°
CBGCAOHAO119.8°120.1°
CBECAPNXZ110.0°109.9°
CAPCBECAW125.2°126.5°
CAPCBECBG106.6°107.0°
CBECAPHAP125.0°125.0°
CAPNXZCBF109.5°109.9°
NXZCAPHAP125.0°125.1°
CAPNXZHXZ125.3°125.1°
CAQCARCAS111.4°109.5°
CARCAQHAQ1109.4°109.4°
CARCAQHAQ2109.4°109.4°
CAQCARHAR1108.8°109.5°
CAQCARHAR2108.4°109.5°
CARCASCAU110.6°109.5°
CASCARHAR1108.8°109.4°
CASCARHAR2108.4°109.5°
CARCASHAS1109.1°109.4°
CARCASHAS2108.9°109.5°
CASCAUCBI116.3°109.5°
CAUCASHAS1109.1°109.5°
CAUCASHAS2108.9°109.5°
CASCAUHAU1107.3°109.5°
CASCAUHAU2105.7°109.5°
CBDCATHAT1108.0°109.5°
CBDCATHAT2107.0°109.5°
CAUCBICBC110.2°109.5°
CAUCBIHBI113.3°109.5°
CBICAUHAU1107.2°109.5°
CBICAUHAU2105.7°109.5°
CBECAWCBJ106.7°109.5°
CAWCBECBG128.2°126.5°
CBECAWHAW1110.4°109.5°
CBECAWHAW2111.0°109.5°
CAWCBJNAX114.1°109.4°
CAWCBJCBB117.8°109.5°
CBJCAWHAW1110.4°109.5°
CBJCAWHAW2111.0°109.5°
CAWCBJHBJ100.8°109.5°
CBCNAXCBJ129.7°120.0°
NAXCBCCBI113.5°120.0°
CBCNAXHAX115.2°120.0°
NAXCBJCBB113.6°109.5°
NAXCBJHBJ106.5°109.4°
CBJNAXHAX115.1°120.0°
CBBCBJHBJ101.4°109.5°
CBCCBIHBI106.1°109.5°
CBECBGCBF106.5°106.0°
CBGCBFNXZ107.4°107.2°
CBFNXZHXZ125.3°125.0°
HB1CCBHB2C110.1°109.5°
HAT1CATHAT2113.0°109.5°
HAA1NAAHAA2109.5°111.0°
HAQ1CAQHAQ2109.6°109.5°
HAR1CARHAR2111.0°109.4°
HAS1CASHAS2110.3°109.4°
HAU1CAUHAU2115.0°109.4°
HAW1CAWHAW2107.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCCAOXT179.3°179.7°
OCCAN54.2°27.6°
OCCACB66.6°92.4°
OCCAHA173.9°147.6°
OCOXTHXT0.0°0.0°
CCANCB121.3°120.0°
CCANHA119.1°120.0°
CCANCBI57.1°83.2°
CCACBHA119.1°119.9°
CCACBCAT92.7°174.9°
CACOXTHXT179.2°179.7°
CCANH62.9°40.8°
CCACBHB1C147.3°65.0°
CCACBHB2C27.0°55.0°
OXTCCAN125.1°152.1°
OXTCCACB114.2°87.9°
OXTCCAHA5.4°32.1°
CANCBIH120.0°124.0°
NCACBHA119.7°120.0°
NCACBCAT146.2°65.0°
CANCBICAU164.7°153.8°
CANCBICBC76.8°86.2°
CANCBIHBI42.0°33.8°
NCACBHB1C26.2°55.0°
NCACBHB2C94.1°175.0°
CBINCACB178.4°156.8°
NCBICBCOAD6.5°0.0°
NCBICAUCAS164.4°64.3°
NCBICAUCBC119.2°120.0°
NCBICAUHBI122.1°120.0°
NCBICBCNAX172.9°180.0°
NCBICBCHBI122.5°120.0°
CBINCAHA62.0°36.8°
NCBICAUHAU144.4°175.7°
NCBICAUHAU278.7°55.7°
CACBCATHB1C120.0°120.0°
CACBCATHB2C119.7°119.9°
CACBCATCBD176.1°180.0°
CBCANH58.4°79.2°
CACBHB1CHB2C119.7°119.9°
CACBCATHAT156.1°60.0°
CACBCATHAT265.8°60.0°
CBCATCBDCAL161.1°90.1°
CBCATCBDCAM19.1°90.0°
CBCATCBDHAT1120.0°120.0°
CBCATCBDHAT2118.1°119.9°
CATCBCAHA26.4°55.0°
CATCBHB1CHB2C119.7°120.1°
CBCATHAT1HAT2118.2°120.0°
NAACAQCARHAQ1120.0°120.0°
NAACAQCARHAQ2119.9°120.0°
NAACAQCARCAS178.7°180.0°
CAQNAAHAA1HAA2120.0°123.9°
NAACAQHAQ1HAQ2119.9°120.1°
NAACAQCARHAR161.3°60.0°
NAACAQCARHAR259.5°60.0°
OACCBBOAFCBJ177.3°179.9°
OACCBBCBJCAW167.7°60.0°
OACCBBCBJNAX55.0°180.0°
OACCBBCBJHBJ58.9°60.1°
OADCBCCBICAU107.9°120.0°
OADCBCNAXCBI179.4°180.0°
OADCBCNAXCBJ11.1°0.1°
OADCBCCBIHBI129.0°120.0°
OADCBCNAXHAX168.8°180.0°
OAFCBBCBJCAW9.9°120.0°
OAFCBBCBJNAX127.4°0.0°
OAFCBBOACHAC0.0°0.0°
OAFCBBCBJHBJ118.7°120.0°
CAHCAGCAIHAG180.0°179.6°
CAGCAHCALHAH180.0°179.8°
CAHCAGCAICAM0.5°0.1°
CAGCAHCALCBD0.1°0.1°
CAHCAGCAIHAI179.5°179.9°
CAGCAHCALHAL179.9°179.9°
CAICAGCAHCAL0.1°0.1°
CAGCAICAMHAI180.0°180.0°
CAGCAICAMCBD0.6°0.1°
CAICAGCAHHAH179.9°179.9°
CAGCAICAMHAM179.4°180.0°
CAHCALCBDHAL180.0°180.0°
CAHCALCBDCAM0.0°0.0°
CAHCALCBDCAT179.8°180.0°
CALCAHCAGHAG179.9°179.7°
CAICAMCBDCAL0.4°0.0°
CAICAMCBDHAM180.0°179.9°
CAICAMCBDCAT179.8°180.0°
CAMCAICAGHAG179.5°179.7°
CAKCAJCANHAJ180.0°179.8°
CAJCAKCAOHAK180.0°179.9°
CAKCAJCANCBF0.2°0.0°
CAJCAKCAOCBG0.2°0.0°
CAKCAJCANHAN179.8°179.9°
CAJCAKCAOHAO179.8°180.0°
CANCAJCAKCAO0.0°0.0°
CAJCANCBFHAN180.0°180.0°
CAJCANCBFCBG0.2°0.0°
CAJCANCBFNXZ179.9°179.9°
CANCAJCAKHAK180.0°179.9°
CAKCAOCBGHAO180.0°180.0°
CAKCAOCBGCBE179.9°180.0°
CAKCAOCBGCBF0.2°0.0°
CAOCAKCAJHAJ180.0°179.8°
CALCBDCAMCAT179.8°179.9°
CALCBDCATHAT141.1°30.0°
CALCBDCATHAT280.8°150.0°
CBDCALCAHHAH179.9°179.9°
CALCBDCAMHAM179.6°180.0°
CAMCBDCATHAT1139.1°149.9°
CAMCBDCATHAT299.0°29.9°
CBDCAMCAIHAI179.4°179.9°
CAMCBDCALHAL180.0°180.0°
CANCBFCBGCAO0.0°0.0°
CANCBFNXZCAP180.0°180.0°
CANCBFCBGCBE179.8°180.0°
CANCBFCBGNXZ179.9°180.0°
CBFCANCAJHAJ179.8°179.8°
CANCBFNXZHXZ0.0°0.1°
CAOCBGCBECAP179.9°180.0°
CAOCBGCBECAW1.4°0.0°
CAOCBGCBECBF179.7°180.0°
CAOCBGCBFNXZ179.9°180.0°
CBGCAOCAKHAK179.8°179.9°
CBECAPNXZHAP180.0°180.0°
CAPCBECAWCBG178.2°180.0°
CAPCBECAWCBJ145.9°95.1°
CAPCBECBGCBF0.4°0.0°
CBECAPNXZCBF0.4°0.0°
CBECAPNXZHXZ179.6°179.9°
CAPCBECAWHAW125.9°25.0°
CAPCBECAWHAW293.0°144.9°
NXZCAPCBECAW179.0°180.0°
NXZCAPCBECBG0.5°0.0°
CAPNXZCBFCBG0.1°0.0°
CAPNXZCBFHXZ180.0°179.9°
CAQCARCASHAR1120.0°120.0°
CAQCARCASHAR2119.2°120.0°
CAQCARCASCAU178.8°180.0°
CARCAQNAAHAA118.0°56.1°
CARCAQNAAHAA2138.0°180.0°
CARCAQHAQ1HAQ2119.9°119.9°
CAQCARHAR1HAR2119.2°120.0°
CAQCARCASHAS158.8°60.0°
CAQCARCASHAS261.6°60.0°
CARCASCAUHAS1120.0°120.0°
CARCASCAUHAS2119.5°120.0°
CARCASCAUCBI146.2°179.2°
CASCARCAQHAQ158.7°60.0°
CASCARCAQHAQ261.4°59.9°
CASCARHAR1HAR2119.2°120.0°
CARCASHAS1HAS2119.5°120.0°
CARCASCAUHAU126.2°59.2°
CARCASCAUHAU296.9°60.7°
CASCAUCBIHAU1120.0°120.0°
CASCAUCBIHAU2116.9°120.0°
CASCAUCBICBC45.2°175.7°
CASCAUCBIHBI73.5°55.7°
CAUCASCARHAR161.2°60.0°
CAUCASCARHAR259.6°60.0°
CAUCASHAS1HAS2119.6°120.0°
CASCAUHAU1HAU2117.2°120.0°
CBDCATCBHB1C63.9°60.0°
CBDCATCBHB2C56.5°60.1°
CBDCATHAT1HAT2118.2°120.0°
CATCBDCALHAL0.2°0.0°
CATCBDCAMHAM0.2°0.1°
CAUCBICBCNAX72.7°60.0°
CAUCBICBCHBI123.1°120.0°
CAUCBINH44.7°29.8°
CBICAUCASHAS193.8°60.8°
CBICAUCASHAS226.6°59.2°
CBICAUHAU1HAU2117.2°120.0°
CBECAWCBJHAW1120.0°120.0°
CBECAWCBJHAW2121.1°120.0°
CBECAWCBJNAX58.6°65.0°
CBECAWCBJCBB164.3°175.0°
CAWCBECBGCBF178.9°180.0°
CAWCBECAPHAP1.0°0.0°
CBECAWHAW1HAW2121.1°120.0°
CBECAWCBJHBJ55.1°54.9°
CAWCBJNAXCBC118.7°155.0°
CAWCBJNAXCBB138.9°120.0°
CAWCBJNAXHBJ110.3°120.0°
CAWCBJCBBHBJ108.8°120.0°
CBJCAWCBECBG32.3°84.9°
CBJCAWHAW1HAW2121.1°120.0°
CAWCBJNAXHAX61.3°25.1°
CBCNAXCBJHAX180.0°179.9°
CBCNAXCBJCBB20.2°84.9°
NAXCBCCBIHBI50.4°60.0°
CBCNAXCBJHBJ131.0°35.0°
NAXCBJCBBHBJ113.9°120.0°
CBJNAXCBCCBI169.5°180.0°
NAXCBJCAWHAW161.4°55.0°
NAXCBJCAWHAW2179.7°175.0°
CBJCBBOACHAC177.4°180.0°
CBBCBJCAWHAW175.7°65.0°
CBBCBJCAWHAW243.2°55.0°
CBBCBJNAXHAX159.8°95.0°
CBCCBINH163.1°149.8°
CBCCBICAUHAU174.8°55.7°
CBCCBICAUHAU2162.1°64.3°
CBICBCNAXHAX10.5°0.0°
CBECBGCBFNXZ0.2°0.0°
CBECBGCAOHAO0.1°0.0°
CBGCBECAPHAP179.5°180.0°
CBGCBECAWHAW1152.3°155.0°
CBGCBECAWHAW288.7°35.1°
CBGCBFCANHAN179.8°180.0°
CBFCBGCAOHAO179.8°180.0°
CBGCBFNXZHXZ179.9°179.9°
NXZCBFCANHAN0.1°0.1°
CBFNXZCAPHAP179.6°180.0°
HACANH178.0°160.8°
HACACBHB1C93.6°175.1°
HACACBHB2C146.1°65.0°
HNCBIHBI78.1°90.2°
HBICBICAUHAU1166.5°64.4°
HBICBICAUHAU243.4°175.7°
HB1CCBCATHAT1176.1°180.0°
HB1CCBCATHAT254.2°60.0°
HB2CCBCATHAT163.5°60.0°
HB2CCBCATHAT2174.5°180.0°
HAA1NAACAQHAQ1138.0°176.0°
HAA1NAACAQHAQ2102.0°63.9°
HAA2NAACAQHAQ1102.0°60.0°
HAA2NAACAQHAQ218.1°60.1°
HAQ1CAQCARHAR1178.7°180.0°
HAQ1CAQCARHAR260.5°60.0°
HAQ2CAQCARHAR158.6°60.0°
HAQ2CAQCARHAR2179.5°180.0°
HAGCAGCAHHAH0.2°0.5°
HAGCAGCAIHAI0.5°0.3°
HAHCAHCALHAL0.1°0.1°
HAICAICAMHAM0.7°0.0°
HAJCAJCAKHAK0.0°0.3°
HAJCAJCANHAN0.2°0.2°
HAKCAKCAOHAO0.2°0.1°
HAPCAPNXZHXZ0.3°0.1°
HAR1CARCASHAS1178.8°180.0°
HAR1CARCASHAS258.3°60.1°
HAR2CARCASHAS160.4°60.1°
HAR2CARCASHAS2179.2°180.0°
HAS1CASCAUHAU1146.2°179.2°
HAS1CASCAUHAU223.1°59.2°
HAS2CASCAUHAU193.3°60.8°
HAS2CASCAUHAU2143.5°179.2°
HAW1CAWCBJHBJ175.1°175.0°
HAW2CAWCBJHBJ65.9°65.1°
HBJCBJNAXHAX49.0°145.0°

246704

PDB entries from 2025-12-24

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