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DW8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAJCAKdoub1.38Å1.39ÅAromatic
CAJCALsing1.38Å1.39ÅAromatic
CAKCBKsing1.39Å1.40ÅAromatic
OACCBIdoub1.21Å1.23Å
CALCBLdoub1.40Å1.40ÅAromatic
CBICAZsing1.51Å1.52Å
CBINBCsing1.35Å1.36Å
CBKNBCsing1.40Å1.34Å
CBKCAOdoub1.39Å1.40ÅAromatic
CAZOBGsing1.43Å1.44Å
CBLCAOsing1.39Å1.40ÅAromatic
CBLCBJsing1.48Å1.40Å
OBGCBMsing1.36Å1.36Å
NBBCBJsing1.35Å1.35Å
NBBCARsing1.47Å1.47Å
CBJOADdoub1.22Å1.23Å
CARCASsing1.53Å1.55Å
OAFPBOdoub1.48Å1.60Å
CBMCAMdoub1.39Å1.41ÅAromatic
CBMCBNsing1.39Å1.40ÅAromatic
CAMCAHsing1.38Å1.39ÅAromatic
CAVOBEsing1.43Å1.41Å
CAVCAWsing1.53Å1.53Å
CAUCATsing1.53Å1.54Å
CAUOBEsing1.43Å1.43Å
CATOBDsing1.43Å1.43Å
OAGPBOsing1.61Å1.60Å
PBOCBNsing1.81Å1.77Å
PBOOAEsing1.61Å1.48Å
CBNCANdoub1.38Å1.40ÅAromatic
CASOBDsing1.43Å1.44Å
CAWOBFsing1.43Å1.44Å
CAHCAIdoub1.38Å1.40ÅAromatic
OBFCAXsing1.43Å1.41Å
CAXCAYsing1.53Å1.54Å
CANCAIsing1.38Å1.40ÅAromatic
CAYCBHsing1.51Å1.53Å
CBHNBAsing1.35Å1.35Å
CBHOABdoub1.21Å1.23Å
NBACAQsing1.47Å1.46Å
CAQCAPsing1.53Å1.53Å
OAGH1sing0.97Å0.95Å
OAEH2sing0.97Å0.95Å
CANH3sing1.08Å1.08Å
CAIH4sing1.08Å1.08Å
CAHH5sing1.08Å1.08Å
CAMH6sing1.08Å1.08Å
CAZH7sing1.09Å1.10Å
CAZH8sing1.09Å1.10Å
NBCH9sing0.97Å1.00Å
CAOH10sing1.08Å1.08Å
CAKH11sing1.08Å1.08Å
CAJH12sing1.08Å1.08Å
CALH13sing1.08Å1.08Å
NBBH14sing0.97Å1.00Å
CARH15sing1.09Å1.10Å
CARH16sing1.09Å1.10Å
CASH17sing1.09Å1.10Å
CASH18sing1.09Å1.10Å
CATH19sing1.09Å1.10Å
CATH20sing1.09Å1.10Å
CAUH21sing1.09Å1.10Å
CAUH22sing1.09Å1.10Å
CAVH23sing1.09Å1.10Å
CAVH24sing1.09Å1.10Å
CAWH25sing1.09Å1.10Å
CAWH26sing1.09Å1.10Å
CAXH27sing1.09Å1.10Å
CAXH28sing1.09Å1.10Å
CAYH29sing1.09Å1.10Å
CAYH30sing1.09Å1.10Å
NBAH31sing0.97Å1.00Å
CAQH32sing1.09Å1.10Å
CAQH33sing1.09Å1.10Å
CAPH34sing1.09Å1.10Å
CAPH35sing1.09Å1.10Å
CAPC1sing1.53Å19.65Å
C1H36sing1.09Å0.00Å
C1H37sing1.09Å0.00Å
C1H38sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAKCAJCAL120.0°120.2°
CAJCAKCBK120.1°120.2°
CAJCAKH11120.0°119.9°
CAKCAJH12120.0°119.9°
CAJCALCBL120.2°119.9°
CALCAJH12120.0°119.9°
CAJCALH13119.9°120.0°
CAKCBKNBC120.8°120.0°
CAKCBKCAO119.7°120.0°
CBKCAKH11120.0°119.9°
OACCBICAZ118.9°120.0°
OACCBINBC126.3°120.0°
CALCBLCAO119.7°119.8°
CALCBLCBJ120.3°120.1°
CBLCALH13119.9°120.0°
CAZCBINBC114.8°120.0°
CBICAZOBG110.4°109.4°
CBICAZH7109.2°109.4°
CBICAZH8109.2°109.5°
CBINBCCBK119.6°120.0°
CBINBCH9120.2°120.0°
NBCCBKCAO119.5°120.0°
CBKNBCH9120.2°120.0°
CBKCAOCBL120.2°119.8°
CBKCAOH10119.9°120.1°
CAZOBGCBM113.7°117.0°
OBGCAZH7109.2°109.5°
OBGCAZH8109.2°109.5°
CAOCBLCBJ119.9°120.1°
CBLCAOH10119.9°120.1°
CBLCBJNBB115.7°120.0°
CBLCBJOAD119.3°120.0°
OBGCBMCAM122.8°120.0°
OBGCBMCBN116.6°120.1°
CBJNBBCAR126.7°120.0°
NBBCBJOAD124.9°119.9°
CBJNBBH14116.7°119.9°
NBBCARCAS110.9°109.5°
CARNBBH14116.6°120.0°
NBBCARH15109.1°109.4°
NBBCARH16109.1°109.4°
CARCASOBD113.2°109.5°
CASCARH15109.1°109.5°
CASCARH16109.1°109.5°
CARCASH17108.5°109.5°
CARCASH18108.6°109.5°
OAFPBOOAG101.5°109.5°
OAFPBOCBN108.6°109.4°
OAFPBOOAE108.8°109.5°
CAMCBMCBN120.6°119.9°
CBMCAMCAH119.8°119.9°
CBMCAMH6120.1°120.0°
CBMCBNPBO122.1°120.0°
CBMCBNCAN119.2°120.0°
CAMCAHCAI119.8°120.1°
CAMCAHH5120.1°119.9°
CAHCAMH6120.1°120.0°
OBECAVCAW105.8°109.5°
CAVOBECAU109.8°114.0°
OBECAVH23110.4°109.5°
OBECAVH24110.4°109.5°
CAVCAWOBF110.4°109.5°
CAWCAVH23110.4°109.4°
CAWCAVH24110.4°109.5°
CAVCAWH25109.2°109.5°
CAVCAWH26109.2°109.5°
CATCAUOBE110.8°109.5°
CAUCATOBD110.5°109.5°
CAUCATH19109.2°109.4°
CAUCATH20109.2°109.5°
CATCAUH21109.1°109.5°
CATCAUH22109.2°109.5°
OBECAUH21109.1°109.4°
OBECAUH22109.2°109.5°
CATOBDCAS122.7°114.0°
OBDCATH19109.2°109.5°
OBDCATH20109.2°109.5°
OAGPBOCBN110.3°109.5°
OAGPBOOAE108.0°109.5°
PBOOAGH1109.5°114.0°
CBNPBOOAE118.3°109.5°
PBOCBNCAN118.7°120.0°
PBOOAEH2109.5°114.0°
CBNCANCAI120.4°120.1°
CBNCANH3119.8°119.9°
OBDCASH17108.5°109.4°
OBDCASH18108.6°109.4°
CAWOBFCAX112.0°114.0°
OBFCAWH25109.2°109.4°
OBFCAWH26109.2°109.5°
CAHCAICAN120.2°120.1°
CAHCAIH4119.9°119.9°
CAICAHH5120.1°120.0°
OBFCAXCAY106.3°109.5°
OBFCAXH27110.3°109.5°
OBFCAXH28110.2°109.5°
CAXCAYCBH111.8°109.5°
CAYCAXH27110.3°109.5°
CAYCAXH28110.3°109.5°
CAXCAYH29108.9°109.5°
CAXCAYH30108.9°109.5°
CAICANH3119.8°120.0°
CANCAIH4119.9°120.0°
CAYCBHNBA115.3°120.0°
CAYCBHOAB120.0°120.0°
CBHCAYH29108.9°109.5°
CBHCAYH30108.9°109.4°
NBACBHOAB124.6°120.0°
CBHNBACAQ122.8°120.0°
CBHNBAH31118.6°120.0°
NBACAQCAP105.5°109.5°
CAQNBAH31118.6°120.0°
NBACAQH32110.4°109.5°
NBACAQH33110.4°109.5°
CAPCAQH32110.4°109.5°
CAPCAQH33110.5°109.5°
CAQCAPH34115.0°109.5°
CAQCAPH35115.0°109.5°
CAQCAPC186.0°109.5°
H7CAZH8109.5°109.5°
H15CARH16109.5°109.5°
H17CASH18109.4°109.5°
H19CATH20109.5°109.5°
H21CAUH22109.5°109.5°
H23CAVH24109.5°109.4°
H25CAWH26109.5°109.4°
H27CAXH28109.5°109.5°
H29CAYH30109.4°109.5°
H32CAQH33109.5°109.5°
H34CAPH35109.5°109.5°
H34CAPC1115.0°109.5°
H35CAPC1115.0°109.5°
CAPC1H3690.0°109.5°
CAPC1H3790.0°109.5°
CAPC1H3890.0°109.4°
H36C1H3790.0°109.5°
H36C1H3890.0°109.5°
H37C1H3890.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAKCAJCALH12180.0°179.9°
CAJCAKCBKH11180.0°179.9°
CAKCAJCALCBL0.6°0.2°
CAJCAKCBKNBC179.6°180.0°
CAJCAKCBKCAO0.8°0.2°
CAKCAJCALH13179.4°180.0°
CALCAJCAKCBK0.7°0.0°
CAJCALCBLH13180.0°179.8°
CAJCALCBLCAO0.6°0.2°
CAJCALCBLCBJ179.6°180.0°
CALCAJCAKH11179.3°179.9°
CAKCBKNBCCBI57.5°145.2°
CAKCBKNBCCAO179.6°179.8°
CAKCBKCAOCBL0.8°0.3°
CAKCBKNBCH9122.5°35.0°
CAKCBKCAOH10179.3°179.8°
CBKCAKCAJH12179.3°180.0°
OACCBICAZNBC179.2°180.0°
OACCBINBCCBK0.1°4.5°
OACCBICAZOBG147.1°0.0°
OACCBICAZH792.7°120.0°
OACCBICAZH827.0°120.0°
OACCBINBCH9179.9°175.3°
CALCBLCAOCBK0.7°0.1°
CALCBLCAOCBJ178.9°179.8°
CALCBLCBJNBB62.5°0.0°
CALCBLCBJOAD119.4°180.0°
CALCBLCAOH10179.3°180.0°
CBLCALCAJH12179.3°179.8°
CAZCBINBCCBK179.0°175.4°
CBICAZOBGH7120.2°120.0°
CBICAZOBGH8120.1°120.0°
CBICAZOBGCBM143.1°180.0°
CBICAZH7H8119.6°120.0°
CAZCBINBCH91.0°4.7°
CBINBCCBKH9180.0°179.9°
CBINBCCBKCAO123.0°35.0°
NBCCBICAZOBG33.7°180.0°
NBCCBICAZH786.4°60.0°
NBCCBICAZH8153.9°59.9°
NBCCBKCAOCBL179.6°179.9°
NBCCBKCAOH100.3°0.0°
NBCCBKCAKH110.3°0.1°
CBKCAOCBLH10180.0°179.9°
CBKCAOCBLCBJ179.6°179.7°
CAOCBKNBCH957.1°144.8°
CAOCBKCAKH11179.3°179.7°
CAZOBGCBMCAM41.5°0.0°
CAZOBGCBMCBN139.1°179.4°
OBGCAZH7H8119.6°120.1°
CAOCBLCBJNBB118.5°179.8°
CAOCBLCBJOAD59.5°0.3°
CAOCBLCALH13179.4°180.0°
CBLCBJNBBOAD177.9°179.9°
CBLCBJNBBCAR179.9°180.0°
CBJCBLCAOH100.4°0.2°
CBJCBLCALH130.5°0.3°
CBLCBJNBBH140.1°0.0°
OBGCBMCAMCBN179.4°179.4°
OBGCBMCAMCAH179.8°180.0°
OBGCBMCBNPBO0.4°0.3°
OBGCBMCBNCAN179.8°180.0°
OBGCBMCAMH60.3°0.2°
CBMOBGCAZH722.9°60.0°
CBMOBGCAZH896.8°60.0°
CBJNBBCARH14180.0°180.0°
CBJNBBCARCAS50.9°180.0°
CBJNBBCARH1569.3°60.0°
CBJNBBCARH16171.1°60.0°
CARNBBCBJOAD2.0°0.0°
NBBCARCASH15120.2°120.0°
NBBCARCASH16120.2°120.0°
NBBCARCASOBD95.3°65.0°
NBBCARH15H16119.3°120.0°
NBBCARCASH1725.2°175.0°
NBBCARCASH18144.1°55.0°
OADCBJNBBH14178.0°180.0°
CARCASOBDCAT50.8°180.0°
CARCASOBDH17120.5°120.0°
CARCASOBDH18120.6°120.0°
CASCARNBBH14129.1°0.0°
CASCARH15H16119.4°120.0°
CARCASH17H18118.3°120.1°
OAFPBOCBNCBM54.6°89.7°
OAFPBOOAGCBN115.0°120.0°
OAFPBOOAGOAE114.4°120.0°
OAFPBOCBNOAE124.6°120.0°
OAFPBOCBNCAN125.5°90.0°
OAFPBOOAGH10.0°59.9°
OAFPBOOAEH20.0°60.0°
CBMCAMCAHH6180.0°179.8°
CAMCBMCBNPBO179.8°179.7°
CAMCBMCBNCAN0.3°0.6°
CBMCAMCAHCAI0.5°0.3°
CBMCAMCAHH5179.5°179.7°
CBNCBMCAMCAH0.3°0.5°
CBMCBNPBOOAG55.8°30.3°
CBMCBNPBOCAN179.9°179.7°
CBMCBNPBOOAE179.2°150.3°
CBMCBNCANCAI0.4°0.3°
CBMCBNCANH3179.6°179.8°
CBNCBMCAMH6179.7°179.7°
CAMCAHCAIH5180.0°180.0°
CAMCAHCAICAN0.6°0.0°
CAMCAHCAIH4179.4°180.0°
OBECAVCAWH23119.4°120.0°
OBECAVCAWH24119.4°120.1°
CAVOBECAUCAT149.6°180.0°
OBECAVCAWOBF92.0°65.0°
CAVOBECAUH2129.4°60.0°
CAVOBECAUH2290.2°60.0°
OBECAVH23H24121.7°120.0°
OBECAVCAWH2528.2°175.0°
OBECAVCAWH26147.9°55.0°
CAWCAVOBECAU152.4°180.0°
CAVCAWOBFH25120.1°120.0°
CAVCAWOBFH26120.1°120.0°
CAVCAWOBFCAX133.1°180.0°
CAWCAVH23H24121.7°120.0°
CAVCAWH25H26119.5°120.0°
CATCAUOBEH21120.2°120.0°
CATCAUOBEH22120.2°120.0°
CAUCATOBDH19120.2°120.0°
CAUCATOBDH20120.1°120.0°
CAUCATOBDCAS49.7°180.0°
CAUCATH19H20119.5°120.0°
CATCAUH21H22119.4°120.0°
OBECAUCATOBD119.7°65.0°
OBECAUCATH19120.1°55.0°
OBECAUCATH200.4°175.0°
OBECAUH21H22119.4°120.0°
CAUOBECAVH2388.2°60.0°
CAUOBECAVH2433.0°60.0°
CATOBDCASH1769.7°60.0°
CATOBDCASH18171.4°60.0°
OBDCATH19H20119.5°120.0°
OBDCATCAUH21120.1°175.0°
OBDCATCAUH220.5°55.0°
OAGPBOCBNOAE125.0°120.0°
OAGPBOCBNCAN124.1°150.0°
OAGPBOOAEH2109.5°180.0°
PBOCBNCANCAI179.7°180.0°
CBNPBOOAGH1115.0°60.0°
CBNPBOOAEH2124.5°60.0°
PBOCBNCANH30.3°0.0°
OAEPBOCBNCAN0.9°30.0°
OAEPBOOAGH1114.3°179.9°
CBNCANCAICAH0.6°0.0°
CBNCANCAIH3180.0°180.0°
CBNCANCAIH4179.4°180.0°
OBDCASCARH15144.5°55.0°
OBDCASCARH1624.8°175.1°
OBDCASH17H18118.3°119.9°
CASOBDCATH1970.4°60.0°
CASOBDCATH20169.9°60.0°
CAWOBFCAXCAY152.6°180.0°
OBFCAWCAVH23148.6°55.0°
OBFCAWCAVH2427.4°175.0°
OBFCAWH25H26119.6°119.9°
CAWOBFCAXH2733.1°60.0°
CAWOBFCAXH2887.9°60.0°
CAHCAICANH4180.0°180.0°
CAHCAICANH3179.4°180.0°
CAICAHCAMH6179.5°180.0°
OBFCAXCAYH27119.5°120.0°
OBFCAXCAYH28119.5°120.0°
OBFCAXCAYCBH73.4°180.0°
CAXOBFCAWH25106.7°60.0°
CAXOBFCAWH2613.0°60.0°
OBFCAXH27H28121.4°120.0°
OBFCAXCAYH29166.2°60.0°
OBFCAXCAYH3046.9°60.0°
CAXCAYCBHH29120.4°120.0°
CAXCAYCBHH30120.4°120.0°
CAXCAYCBHNBA73.4°180.0°
CAXCAYCBHOAB108.4°0.0°
CAYCAXH27H28121.5°120.0°
CAXCAYH29H30118.9°120.0°
CANCAICAHH5179.4°180.0°
CAYCBHNBAOAB178.1°180.0°
CAYCBHNBACAQ179.9°180.0°
CBHCAYCAXH2746.1°60.0°
CBHCAYCAXH28167.1°60.0°
CBHCAYH29H30118.9°120.0°
CAYCBHNBAH310.1°0.0°
CBHNBACAQH31180.0°180.0°
CBHNBACAQCAP86.3°180.0°
NBACBHCAYH2947.0°60.0°
NBACBHCAYH30166.2°60.0°
CBHNBACAQH3233.1°60.0°
CBHNBACAQH33154.3°60.0°
OABCBHNBACAQ1.8°0.0°
OABCBHCAYH29131.2°120.0°
OABCBHCAYH3012.0°120.0°
OABCBHNBAH31178.2°180.0°
NBACAQCAPH32119.4°120.0°
NBACAQCAPH33119.4°120.0°
NBACAQH32H33121.8°120.0°
NBACAQCAPH34125.2°60.0°
NBACAQCAPH35106.2°60.0°
NBACAQCAPC19.5°180.0°
CAPCAQNBAH3193.7°0.0°
CAPCAQH32H33121.8°120.0°
CAQCAPH34H35131.2°120.0°
CAQCAPH34C197.5°120.0°
CAQCAPH35C197.5°120.0°
CAQCAPC1H3690.0°60.0°
CAQCAPC1H3790.0°180.0°
CAQCAPC1H3890.0°60.0°
H3CANCAIH40.6°0.0°
H4CAICAHH50.6°0.0°
H5CAHCAMH60.5°0.1°
H11CAKCAJH120.7°0.1°
H12CAJCALH130.6°0.0°
H14NBBCARH15110.7°120.0°
H14NBBCARH168.9°120.0°
H15CARCASH1795.0°65.0°
H15CARCASH1823.9°175.0°
H16CARCASH17145.4°55.1°
H16CARCASH1895.7°65.0°
H19CATCAUH210.0°64.9°
H19CATCAUH22119.7°175.0°
H20CATCAUH21119.7°55.0°
H20CATCAUH22120.7°65.0°
H23CAVCAWH2591.3°65.0°
H23CAVCAWH2628.4°175.0°
H24CAVCAWH25147.5°54.9°
H24CAVCAWH2692.7°65.0°
H27CAXCAYH2974.3°180.0°
H27CAXCAYH30166.5°60.0°
H28CAXCAYH2946.7°60.0°
H28CAXCAYH3072.5°NaN°
H31NBACAQH32146.9°120.0°
H31NBACAQH3325.7°120.0°
H32CAQCAPH345.8°180.0°
H32CAQCAPH35134.4°60.0°
H32CAQCAPC1109.9°60.0°
H33CAQCAPH34115.4°60.0°
H33CAQCAPH3513.1°180.0°
H33CAQCAPC1128.8°60.0°
H34CAPH35C1131.2°120.0°
H34CAPC1H3690.0°60.0°
H34CAPC1H3790.0°60.0°
H34CAPC1H3890.0°180.0°
H35CAPC1H3690.0°180.0°
H35CAPC1H3790.0°60.0°
H35CAPC1H3890.0°60.0°
CAPC1H36H3790.0°120.0°
CAPC1H36H3890.0°120.0°
CAPC1H37H3890.0°120.0°
H36C1H37H3890.0°120.0°

222624

PDB entries from 2024-07-17

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