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UC9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OBFCBDdoub1.22Å1.28Å
OBECBDsing1.35Å1.29Å
CBDCAZsing1.48Å1.43Å
CAYCAZdoub1.40Å1.40ÅAromatic
CAYCAXsing1.38Å1.41ÅAromatic
CAZCBAsing1.40Å1.40ÅAromatic
NAGC6sing1.38Å1.33Å
N1C6doub1.33Å1.36ÅAromatic
N1C2sing1.32Å1.37ÅAromatic
CAXCATdoub1.40Å1.44ÅAromatic
CBACBBdoub1.38Å1.43ÅAromatic
NAHC2sing1.38Å1.36Å
C6C5sing1.41Å1.44ÅAromatic
C2N3doub1.33Å1.33ÅAromatic
CATCBBsing1.40Å1.42ÅAromatic
CATCAPsing1.48Å1.47Å
C5CAJsing1.43Å1.46Å
C5C4doub1.40Å1.39ÅAromatic
N3C4sing1.32Å1.37ÅAromatic
CAJCALtrip1.17Å1.04Å
CAOCAPdoub1.40Å1.47ÅAromatic
CAOCANsing1.38Å1.40ÅAromatic
C4CAIsing1.51Å1.43Å
CALCAMsing1.47Å1.63Å
CAPCAQsing1.40Å1.34ÅAromatic
CAKCAIsing1.53Å1.59Å
CAMCANsing1.51Å1.50Å
CAMCBCsing1.53Å1.40Å
CANCASdoub1.38Å1.38ÅAromatic
CAQOAUsing1.36Å1.38Å
CAQCARdoub1.39Å1.47ÅAromatic
OAUCAVsing1.44Å1.34Å
CASCARsing1.39Å1.38ÅAromatic
CAROAWsing1.37Å1.37Å
CAVOAWsing1.44Å1.37Å
CAKH1sing1.09Å1.10Å
CAKH2sing1.09Å1.10Å
CAKH3sing1.09Å1.10Å
CAIH4sing1.09Å1.10Å
CAIH5sing1.09Å1.10Å
NAHH6sing0.97Å1.00Å
NAHH7sing0.97Å1.00Å
NAGH8sing0.97Å1.00Å
NAGH9sing0.97Å1.00Å
CAMH10sing1.09Å1.10Å
CBCH11sing1.09Å1.10Å
CBCH12sing1.09Å1.10Å
CBCH13sing1.09Å1.10Å
CAOH14sing1.08Å1.08Å
CASH15sing1.08Å1.08Å
CAVH16sing1.09Å1.10Å
CAVH17sing1.09Å1.10Å
CAXH18sing1.08Å1.08Å
CAYH19sing1.08Å1.08Å
OBEH20sing0.97Å0.95Å
CBAH21sing1.08Å1.08Å
CBBH22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBFCBDOBE120.2°120.0°
OBFCBDCAZ117.2°120.0°
OBECBDCAZ121.1°120.0°
CBDOBEH20109.5°117.0°
CBDCAZCAY120.2°120.0°
CBDCAZCBA121.3°120.0°
CAZCAYCAX122.4°119.9°
CAYCAZCBA118.4°120.0°
CAZCAYH19118.8°120.0°
CAYCAXCAT121.0°120.1°
CAYCAXH18119.5°119.9°
CAXCAYH19118.8°120.1°
CAZCBACBB119.2°120.0°
CAZCBAH21120.4°120.0°
NAGC6N1114.9°120.6°
NAGC6C5127.2°120.6°
C6NAGH8109.5°120.0°
C6NAGH9109.4°120.1°
C6N1C2119.7°120.8°
N1C6C5117.9°118.8°
N1C2NAH120.8°119.0°
N1C2N3122.9°122.0°
CAXCATCBB114.5°120.1°
CAXCATCAP123.1°120.0°
CATCAXH18119.5°120.0°
CBACBBCAT123.6°120.0°
CBBCBAH21120.4°120.0°
CBACBBH22118.2°120.0°
NAHC2N3116.3°119.0°
C2NAHH6109.5°120.0°
C2NAHH7109.5°120.0°
C6C5CAJ122.9°120.9°
C6C5C4120.1°118.3°
C2N3C4120.6°121.1°
CBBCATCAP121.9°120.0°
CATCBBH22118.2°120.0°
CATCAPCAO117.5°120.1°
CATCAPCAQ117.3°120.1°
CAJC5C4117.0°120.8°
C5CAJCAL177.9°180.0°
C5C4N3118.8°119.1°
C5C4CAI122.8°120.5°
N3C4CAI118.4°120.5°
CAJCALCAM176.6°180.0°
CAPCAOCAN123.1°120.0°
CAOCAPCAQ119.6°119.7°
CAPCAOH14118.5°120.0°
CAOCANCAM122.7°119.8°
CAOCANCAS110.0°120.3°
CANCAOH14118.4°120.0°
C4CAICAK113.6°109.5°
C4CAIH4108.4°109.5°
C4CAIH5108.4°109.5°
CALCAMCAN99.0°109.5°
CALCAMCBC109.8°109.4°
CALCAMH10110.3°109.5°
CAPCAQOAU131.0°131.5°
CAPCAQCAR114.6°119.7°
CAICAKH1109.5°109.5°
CAICAKH2109.5°109.5°
CAICAKH3109.4°109.5°
CAKCAIH4108.4°109.5°
CAKCAIH5108.4°109.5°
CANCAMCBC110.5°109.4°
CAMCANCAS127.3°119.9°
CANCAMH10112.3°109.5°
CBCCAMH10113.9°109.4°
CAMCBCH11109.5°109.4°
CAMCBCH12109.5°109.5°
CAMCBCH13109.5°109.4°
CANCASCAR127.1°120.3°
CANCASH15116.4°119.8°
OAUCAQCAR108.1°108.8°
CAQOAUCAV89.6°105.5°
CAQCARCAS118.4°120.0°
CAQCAROAW105.2°108.6°
OAUCAVOAW112.7°103.7°
OAUCAVH16108.7°110.6°
OAUCAVH17108.7°110.7°
CASCAROAW130.7°131.4°
CARCASH15116.4°119.9°
CAROAWCAV91.6°105.5°
OAWCAVH16108.7°110.6°
OAWCAVH17108.7°110.6°
H1CAKH2109.4°109.4°
H1CAKH3109.5°109.5°
H2CAKH3109.5°109.4°
H4CAIH5109.4°109.4°
H6NAHH7109.5°120.1°
H8NAGH9109.5°120.0°
H11CBCH12109.5°109.5°
H11CBCH13109.5°109.5°
H12CBCH13109.5°109.5°
H16CAVH17109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBFCBDOBECAZ165.5°180.0°
OBFCBDCAZCAY14.1°0.1°
OBFCBDCAZCBA162.3°180.0°
OBFCBDOBEH200.0°0.0°
OBECBDCAZCAY179.9°180.0°
OBECBDCAZCBA3.6°0.1°
CBDCAZCAYCBA176.5°179.9°
CBDCAZCAYCAX177.9°180.0°
CBDCAZCBACBB179.5°179.9°
CBDCAZCAYH192.1°0.1°
CAZCBDOBEH20165.6°180.0°
CBDCAZCBAH210.4°0.0°
CAZCAYCAXH19180.0°179.9°
CAZCAYCAXCAT4.0°0.1°
CAYCAZCBACBB4.0°0.0°
CAZCAYCAXH18176.0°180.0°
CAYCAZCBAH21176.0°179.9°
CAXCAYCAZCBA1.4°0.1°
CAYCAXCATH18180.0°179.9°
CAYCAXCATCBB8.6°0.0°
CAYCAXCATCAP179.4°179.7°
CAZCBACBBH21180.0°179.9°
CAZCBACBBCAT9.6°0.0°
CBACAZCAYH19178.6°180.0°
CAZCBACBBH22170.4°179.7°
NAGC6N1C5179.4°180.0°
NAGC6N1C2178.7°179.9°
NAGC6C5CAJ2.3°0.0°
NAGC6C5C4177.4°180.0°
C6NAGH8H9120.0°179.9°
C6N1C2NAH179.3°180.0°
C6N1C2N30.8°0.3°
N1C6C5CAJ178.4°180.0°
N1C6C5C41.9°0.0°
N1C6NAGH80.0°180.0°
N1C6NAGH9120.0°0.1°
N1C2NAHN3178.6°179.7°
C2N1C6C50.7°0.1°
N1C2N3C41.0°0.6°
N1C2NAHH60.0°0.1°
N1C2NAHH7120.0°179.9°
CAXCATCBBCBA11.6°0.0°
CAXCATCBBCAP172.1°179.7°
CAXCATCAPCAO26.6°130.3°
CAXCATCAPCAQ127.0°49.8°
CATCAXCAYH19176.0°180.0°
CAXCATCBBH22168.4°179.7°
CBACBBCATH22180.0°179.8°
CBACBBCATCAP176.3°179.8°
NAHC2N3C4179.6°179.7°
C2NAHH6H7120.0°180.0°
C6C5CAJC4179.7°180.0°
C6C5C4N31.7°0.2°
C6C5CAJCAL44.3°28.9°
C6C5C4CAI179.8°180.0°
C5C6NAGH8179.4°0.0°
C5C6NAGH959.3°180.0°
C2N3C4C50.3°0.5°
C2N3C4CAI178.4°179.7°
N3C2NAHH6178.6°179.8°
N3C2NAHH761.4°0.2°
CBBCATCAPCAO162.0°50.0°
CBBCATCAPCAQ44.4°129.9°
CBBCATCAXH18171.4°179.9°
CATCBBCBAH21170.4°180.0°
CATCAPCAOCAQ153.0°179.9°
CATCAPCAOCAN179.9°180.0°
CATCAPCAQOAU37.2°0.2°
CATCAPCAQCAR174.4°179.8°
CATCAPCAOH140.1°0.0°
CAPCATCAXH180.6°0.2°
CAPCATCBBH223.7°0.0°
CAJC5C4N3178.6°179.8°
CAJC5C4CAI0.5°0.0°
C5CAJCALCAM114.4°12.4°
C5C4N3CAI178.2°179.8°
C4C5CAJCAL136.1°151.1°
C5C4CAICAK105.3°90.0°
C5C4CAIH415.4°150.0°
C5C4CAIH5134.1°30.1°
N3C4CAICAK72.8°90.2°
N3C4CAIH4166.5°29.8°
N3C4CAIH547.8°149.7°
CAJCALCAMCAN7.9°16.5°
CAJCALCAMCBC107.9°136.5°
CAJCALCAMH10125.8°103.5°
CAPCAOCANH14180.0°180.0°
CAPCAOCANCAM173.8°180.0°
CAPCAOCANCAS6.9°0.2°
CAOCAPCAQOAU169.8°179.9°
CAOCAPCAQCAR21.4°0.3°
CAOCANCAMCAL61.2°120.3°
CANCAOCAPCAQ26.9°0.0°
CAOCANCAMCAS179.2°179.8°
CAOCANCAMCBC176.4°119.8°
CAOCANCASCAR17.1°0.2°
CAOCANCAMH1055.2°0.2°
CAOCANCASH15162.9°179.7°
C4CAICAKH4120.6°120.0°
C4CAICAKH5120.6°120.1°
C4CAICAKH1180.0°60.0°
C4CAICAKH260.0°180.0°
C4CAICAKH360.0°60.0°
C4CAIH4H5118.1°120.0°
CALCAMCANCBC115.2°120.0°
CALCAMCANH10116.4°120.1°
CALCAMCBCH10124.3°120.0°
CALCAMCANCAS118.0°59.9°
CALCAMCBCH11180.0°60.0°
CALCAMCBCH1260.0°180.0°
CALCAMCBCH1360.0°60.0°
CAPCAQOAUCAR149.9°179.6°
CAPCAQOAUCAV179.8°162.4°
CAPCAQCARCAS0.1°0.3°
CAPCAQCAROAW156.3°179.7°
CAQCAPCAOH14153.1°180.0°
CAICAKH1H2120.0°120.0°
CAICAKH1H3120.0°120.1°
CAICAKH2H3120.0°120.0°
CAKCAIH4H5118.1°120.0°
CANCAMCBCH10127.5°120.0°
CAMCANCASCAR162.1°180.0°
CANCAMCBCH1171.8°60.0°
CANCAMCBCH12168.2°60.0°
CANCAMCBCH1348.2°180.0°
CAMCANCAOH146.2°0.0°
CAMCANCASH1517.8°0.0°
CBCCAMCANCAS2.8°60.0°
CAMCBCH11H12120.0°120.0°
CAMCBCH11H13120.0°119.9°
CAMCBCH12H13120.0°119.9°
CANCASCARCAQ21.8°0.0°
CANCASCARH15180.0°179.9°
CANCASCAROAW170.8°179.9°
CASCANCAMH10125.6°180.0°
CASCANCAOH14173.1°179.8°
OAUCAQCARCAS155.2°180.0°
OAUCAQCAROAW0.9°0.0°
CAQOAUCAVOAW57.5°27.1°
CAQOAUCAVH1663.0°91.5°
CAQOAUCAVH17177.9°145.7°
CARCAQOAUCAV30.3°17.2°
CAQCARCASOAW149.0°180.0°
CAQCAROAWCAV28.3°17.3°
CAQCARCASH15158.3°180.0°
OAUCAVOAWCAR58.2°27.1°
OAUCAVOAWH16120.5°118.6°
OAUCAVOAWH17120.5°118.7°
OAUCAVH16H17118.5°122.9°
CASCAROAWCAV179.7°162.7°
OAWCARCASH159.3°0.0°
CAROAWCAVH1662.3°91.5°
CAROAWCAVH17178.6°145.8°
OAWCAVH16H17118.5°122.8°
H1CAKH2H3120.0°120.0°
H1CAKCAIH459.4°60.0°
H1CAKCAIH559.4°179.9°
H2CAKCAIH4179.3°60.0°
H2CAKCAIH560.6°59.9°
H3CAKCAIH460.6°180.0°
H3CAKCAIH5179.4°60.0°
H10CAMCBCH1155.7°180.0°
H10CAMCBCH1264.3°60.0°
H10CAMCBCH13175.7°60.0°
H11CBCH12H13120.0°120.1°
H18CAXCAYH193.9°0.1°
H21CBACBBH229.6°0.2°

224201

PDB entries from 2024-08-28

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