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X93

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAJCAHsing1.38Å1.39ÅAromatic
CAJCAWdoub1.38Å1.40ÅAromatic
CAHCAGdoub1.38Å1.40ÅAromatic
CAGCAIsing1.38Å1.40ÅAromatic
CAICAKdoub1.38Å1.39ÅAromatic
CAKCAWsing1.38Å1.40ÅAromatic
CAWCANsing1.51Å1.53Å
CANCAQsing1.53Å1.53Å
CAQCAYsing1.53Å1.54Å
CAYCATsing1.51Å1.53Å
CAYNsing1.47Å1.48Å
CATOAEsing1.34Å1.26Å
CATOABdoub1.21Å1.24Å
NCAsing1.47Å1.48Å
CACBsing1.53Å1.54Å
CACsing1.51Å1.54Å
COdoub1.21Å1.23Å
CNBCsing1.35Å1.35Å
NBCCBBsing1.45Å1.49Å
NBCCBAsing1.48Å1.49Å
CBBCAPsing1.51Å1.54Å
CBBCAZsing1.55Å1.52Å
CAPCAMsing1.54Å1.55Å
CAMCALsing1.53Å1.55Å
CALCAOsing1.54Å1.54Å
CAOCAZsing1.52Å1.53Å
CAZCARsing1.54Å1.52Å
CARCBAsing1.55Å1.54Å
CBACAUsing1.51Å1.55Å
CAUOAFdoub1.21Å1.24Å
CAUOACsing1.34Å1.25Å
CAJHAJsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CAYHAYsing1.09Å1.10Å
NHsing1.01Å1.00Å
OAEHAEsing0.97Å0.95Å
CAHAsing1.09Å1.10Å
CBHB1Csing1.09Å1.10Å
CBHB2Csing1.09Å1.10Å
CBHB3Csing1.09Å1.10Å
CBBHBBsing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAZHAZsing1.09Å1.10Å
CAMHAM1sing1.09Å1.10Å
CAMHAM2sing1.09Å1.10Å
CALHAL1sing1.09Å1.10Å
CALHAL2sing1.09Å1.10Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
OACHACsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAHCAJCAW120.1°120.0°
CAJCAHCAG119.7°120.0°
CAHCAJHAJ119.9°120.0°
CAJCAHHAH120.1°119.9°
CAJCAWCAK119.9°120.0°
CAJCAWCAN118.4°120.0°
CAWCAJHAJ119.9°120.0°
CAHCAGCAI120.3°120.0°
CAGCAHHAH120.2°120.0°
CAHCAGHAG119.9°120.0°
CAGCAICAK119.8°120.0°
CAICAGHAG119.9°120.0°
CAGCAIHAI120.1°120.0°
CAICAKCAW120.2°120.0°
CAKCAIHAI120.1°120.0°
CAICAKHAK119.9°120.0°
CAKCAWCAN121.8°120.0°
CAWCAKHAK119.9°120.0°
CAWCANCAQ114.4°109.5°
CAWCANHAN1108.2°109.5°
CAWCANHAN2108.2°109.5°
CANCAQCAY109.9°109.4°
CAQCANHAN1108.2°109.5°
CAQCANHAN2108.2°109.5°
CANCAQHAQ1109.4°109.5°
CANCAQHAQ2109.4°109.5°
CAQCAYCAT109.8°109.4°
CAQCAYN109.9°109.5°
CAYCAQHAQ1109.4°109.4°
CAYCAQHAQ2109.3°109.5°
CAQCAYHAY108.6°109.5°
CATCAYN110.6°109.5°
CAYCATOAE117.5°120.1°
CAYCATOAB116.9°120.0°
CATCAYHAY108.6°109.4°
CAYNCA114.0°111.0°
NCAYHAY109.3°109.5°
CAYNH108.3°111.0°
OAECATOAB125.6°119.9°
CATOAEHAE109.5°117.1°
NCACB108.3°109.4°
NCAC109.4°109.5°
CANH108.3°111.0°
NCAHA110.2°109.4°
CBCAC110.2°109.5°
CBCAHA109.4°109.5°
CACBHB1C109.5°109.5°
CACBHB2C109.5°109.4°
CACBHB3C109.5°109.5°
CACO117.6°120.0°
CACNBC125.5°120.0°
CCAHA109.4°109.5°
OCNBC116.9°120.0°
CNBCCBB130.9°126.4°
CNBCCBA120.8°126.5°
CBBNBCCBA108.0°107.1°
NBCCBBCAP118.2°117.7°
NBCCBBCAZ101.9°104.1°
NBCCBBHBB110.2°109.2°
NBCCBACAR105.7°107.1°
NBCCBACAU111.2°109.9°
NBCCBAHBA110.2°109.9°
CAPCBBCAZ106.8°107.7°
CBBCAPCAM109.6°107.3°
CAPCBBHBB109.5°109.3°
CBBCAPHAP1109.4°109.9°
CBBCAPHAP2109.4°109.9°
CBBCAZCAO108.9°106.7°
CBBCAZCAR101.9°100.3°
CAZCBBHBB109.7°108.5°
CBBCAZHAZ110.5°111.3°
CAPCAMCAL114.0°111.4°
CAMCAPHAP1109.4°109.9°
CAMCAPHAP2109.4°109.9°
CAPCAMHAM1108.3°109.1°
CAPCAMHAM2108.3°109.1°
CAMCALCAO112.8°111.5°
CALCAMHAM1108.3°109.1°
CALCAMHAM2108.3°109.1°
CAMCALHAL1108.6°109.1°
CAMCALHAL2108.6°109.1°
CALCAOCAZ108.6°107.3°
CAOCALHAL1108.6°109.1°
CAOCALHAL2108.6°109.0°
CALCAOHAO1109.7°109.9°
CALCAOHAO2109.7°109.9°
CAOCAZCAR114.2°115.3°
CAOCAZHAZ110.4°111.0°
CAZCAOHAO1109.7°109.8°
CAZCAOHAO2109.7°109.9°
CAZCARCBA101.4°101.7°
CARCAZHAZ110.6°111.7°
CAZCARHAR1111.5°111.0°
CAZCARHAR2111.4°111.0°
CARCBACAU110.7°110.0°
CARCBAHBA109.5°109.8°
CBACARHAR1111.4°111.2°
CBACARHAR2111.4°110.8°
CBACAUOAF116.4°120.0°
CBACAUOAC118.4°120.0°
CAUCBAHBA109.4°110.0°
OAFCAUOAC125.3°120.0°
CAUOACHAC109.5°117.0°
HAN1CANHAN2109.5°109.4°
HAQ1CAQHAQ2109.5°109.5°
HB1CCBHB2C109.4°109.5°
HB1CCBHB3C109.4°109.5°
HB2CCBHB3C109.5°109.4°
HAP1CAPHAP2109.5°109.9°
HAM1CAMHAM2109.5°109.1°
HAL1CALHAL2109.5°109.0°
HAO1CAOHAO2109.5°109.9°
HAR1CARHAR2109.5°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAHCAJCAWHAJ180.0°180.0°
CAJCAHCAGHAH180.0°179.9°
CAJCAHCAGCAI0.2°0.3°
CAHCAJCAWCAK0.6°0.2°
CAHCAJCAWCAN179.9°180.0°
CAJCAHCAGHAG179.8°180.0°
CAWCAJCAHCAG0.4°0.0°
CAJCAWCAKCAI0.6°0.2°
CAJCAWCAKCAN179.5°179.8°
CAJCAWCANCAQ164.6°90.0°
CAWCAJCAHHAH179.6°179.9°
CAJCAWCAKHAK179.4°179.7°
CAJCAWCANHAN174.6°30.0°
CAJCAWCANHAN243.9°150.0°
CAHCAGCAIHAG180.0°179.7°
CAHCAGCAICAK0.3°0.4°
CAGCAHCAJHAJ179.6°180.0°
CAHCAGCAIHAI179.7°179.7°
CAGCAICAKHAI180.0°179.9°
CAGCAICAKCAW0.5°0.1°
CAICAGCAHHAH179.8°179.8°
CAGCAICAKHAK179.6°180.0°
CAICAKCAWHAK180.0°179.9°
CAICAKCAWCAN179.9°180.0°
CAKCAICAGHAG179.8°179.9°
CAKCAWCANCAQ15.8°90.2°
CAKCAWCAJHAJ179.4°179.8°
CAWCAKCAIHAI179.5°180.0°
CAKCAWCANHAN1104.9°149.7°
CAKCAWCANHAN2136.6°29.8°
CAWCANCAQHAN1120.7°120.0°
CAWCANCAQHAN2120.7°120.0°
CAWCANCAQCAY178.2°180.0°
CANCAWCAJHAJ0.1°0.0°
CANCAWCAKHAK0.1°0.1°
CAWCANHAN1HAN2117.7°120.0°
CAWCANCAQHAQ161.8°60.0°
CAWCANCAQHAQ258.1°60.1°
CANCAQCAYHAQ1120.1°120.0°
CANCAQCAYHAQ2120.1°120.0°
CANCAQCAYCAT79.9°175.0°
CANCAQCAYN158.3°65.0°
CAQCANHAN1HAN2117.7°120.0°
CANCAQHAQ1HAQ2119.8°120.1°
CANCAQCAYHAY38.8°55.1°
CAQCAYCATN121.4°120.0°
CAQCAYCATHAY118.6°120.0°
CAQCAYNHAY119.1°120.0°
CAQCAYCATOAE106.5°60.0°
CAQCAYCATOAB73.8°120.0°
CAQCAYNCA179.2°155.0°
CAYCAQCANHAN157.4°60.0°
CAYCAQCANHAN261.1°60.0°
CAYCAQHAQ1HAQ2119.8°120.0°
CAQCAYNH60.1°81.1°
CATCAYNHAY119.5°120.0°
CAYCATOAEOAB179.7°180.0°
CATCAYNCA59.4°85.0°
CATCAYCAQHAQ140.2°65.0°
CATCAYCAQHAQ2160.1°55.0°
CATCAYNH61.3°38.9°
CAYCATOAEHAE179.7°180.0°
NCAYCATOAE132.1°180.0°
NCAYCATOAB47.6°0.0°
CAYNCAH120.7°123.9°
CAYNCACB174.8°85.0°
CAYNCAC65.1°155.0°
NCAYCAQHAQ181.6°55.0°
NCAYCAQHAQ238.3°175.0°
CAYNCAHA55.2°35.0°
OAECATCAYHAY12.2°60.0°
OABCATCAYHAY167.5°120.0°
OABCATOAEHAE0.0°0.0°
NCACBC119.6°120.0°
NCACBHA120.1°119.9°
NCACHA120.8°120.0°
NCACO27.7°17.5°
NCACNBC153.3°162.5°
CANCAYHAY60.1°34.9°
NCACBHB1C180.0°52.2°
NCACBHB2C60.0°172.2°
NCACBHB3C60.0°67.9°
CBCACHA120.3°120.1°
CBCACO91.2°102.5°
CBCACNBC87.8°77.6°
CBCANH54.1°38.9°
CACBHB1CHB2C120.0°120.0°
CACBHB1CHB3C120.0°120.0°
CACBHB2CHB3C120.0°119.9°
CACONBC179.1°179.9°
CACNBCCBB4.9°175.6°
CACNBCCBA178.3°4.1°
CCANH174.2°81.0°
CCACBHB1C60.4°67.8°
CCACBHB2C179.6°52.2°
CCACBHB3C59.6°172.2°
OCNBCCBB176.1°4.3°
OCNBCCBA2.7°176.0°
OCCAHA148.5°137.5°
CNBCCBBCBA174.0°179.8°
CNBCCBBCAP42.0°30.4°
CNBCCBBCAZ158.7°149.4°
CNBCCBACAR175.2°175.0°
CNBCCBACAU64.6°55.5°
NBCCCAHA32.5°42.5°
CNBCCBBHBB84.9°94.9°
CNBCCBAHBA57.0°65.7°
NBCCBBCAPCAZ114.0°117.1°
NBCCBBCAPHBB127.3°125.2°
NBCCBBCAZHBB116.8°116.2°
NBCCBBCAPCAM175.4°178.5°
NBCCBBCAZCAO164.8°164.5°
NBCCBBCAZCAR43.8°44.0°
CBBNBCCBACAR0.5°4.7°
CBBNBCCBACAU120.7°124.2°
CBBNBCCBAHBA117.8°114.5°
NBCCBBCAPHAP164.6°59.0°
NBCCBBCAPHAP255.4°62.1°
NBCCBBCAZHAZ73.7°74.3°
CBANBCCBBCAP143.9°149.4°
CBANBCCBBCAZ27.3°30.3°
NBCCBACARCAZ26.6°22.8°
NBCCBACARCAU120.6°119.4°
NBCCBACARHBA118.7°119.3°
NBCCBACAUHBA122.0°121.2°
NBCCBACAUOAF153.1°29.0°
NBCCBACAUOAC25.9°151.0°
CBANBCCBBHBB89.1°85.4°
NBCCBACARHAR192.1°95.4°
NBCCBACARHAR2145.2°140.8°
CAPCBBCAZHBB118.6°118.1°
CBBCAPCAMHAP1120.0°119.4°
CBBCAPCAMHAP2120.0°119.5°
CBBCAPCAMCAL49.8°57.3°
CAPCBBCAZCAO70.6°69.9°
CAPCBBCAZCAR168.4°169.7°
CBBCAPHAP1HAP2119.9°121.1°
CAPCBBCAZHAZ50.9°51.4°
CBBCAPCAMHAM170.9°63.2°
CBBCAPCAMHAM2170.5°177.7°
CAZCBBCAPCAM61.4°64.4°
CBBCAZCAOCAL64.7°64.5°
CBBCAZCAOCAR113.2°110.3°
CBBCAZCAOHAZ121.5°121.5°
CBBCAZCARHAZ117.5°118.0°
CBBCAZCARCBA43.2°39.4°
CAZCBBCAPHAP1178.6°176.2°
CAZCBBCAPHAP258.6°55.1°
CBBCAZCAOHAO155.2°54.9°
CBBCAZCAOHAO2175.4°176.0°
CBBCAZCARHAR175.5°78.9°
CBBCAZCARHAR2161.9°157.3°
CAPCAMCALHAM1120.7°120.5°
CAPCAMCALHAM2120.7°120.4°
CAPCAMCALCAO44.9°54.9°
CAMCAPCBBHBB57.3°53.2°
CAMCAPHAP1HAP2120.0°121.1°
CAPCAMHAM1HAM2117.9°119.0°
CAPCAMCALHAL1165.4°175.4°
CAPCAMCALHAL275.5°65.6°
CAMCALCAOHAL1120.5°120.6°
CAMCALCAOHAL2120.5°120.5°
CAMCALCAOCAZ50.9°58.1°
CALCAMCAPHAP1169.8°176.8°
CALCAMCAPHAP270.2°62.1°
CALCAMHAM1HAM2117.9°119.0°
CAMCALHAL1HAL2118.5°119.0°
CAMCALCAOHAO168.9°61.3°
CAMCALCAOHAO2170.8°177.6°
CALCAOCAZHAO1119.9°119.5°
CALCAOCAZHAO2119.9°119.5°
CALCAOCAZCAR177.9°174.9°
CALCAOCAZHAZ56.8°56.9°
CAOCALCAMHAM175.7°65.7°
CAOCALCAMHAM2165.6°175.3°
CAOCALHAL1HAL2118.5°119.0°
CALCAOHAO1HAO2120.4°121.1°
CAOCAZCARHAZ125.2°127.9°
CAOCAZCARCBA160.5°153.5°
CAOCAZCBBHBB48.0°48.3°
CAZCAOCALHAL1171.4°178.7°
CAZCAOCALHAL269.6°62.4°
CAZCAOHAO1HAO2120.4°121.0°
CAOCAZCARHAR141.8°35.2°
CAOCAZCARHAR280.9°88.5°
CAZCARCBAHAR1118.7°118.1°
CAZCARCBAHAR2118.7°118.0°
CAZCARCBACAU94.0°96.7°
CARCAZCBBHBB73.0°72.2°
CAZCARCBAHBA145.3°142.1°
CARCAZCAOHAO158.0°55.4°
CARCAZCAOHAO262.3°65.7°
CAZCARHAR1HAR2123.7°123.8°
CARCBACAUHBA120.8°121.1°
CARCBACAUOAF89.7°88.7°
CARCBACAUOAC91.3°91.3°
CBACARCAZHAZ74.3°78.6°
CBACARHAR1HAR2123.7°123.8°
CBACAUOAFOAC179.0°179.9°
CAUCBACARHAR1147.3°145.2°
CAUCBACARHAR224.7°21.4°
CBACAUOACHAC178.9°180.0°
OAFCAUCBAHBA31.1°150.2°
OAFCAUOACHAC0.0°0.0°
OACCAUCBAHBA147.9°29.8°
HAJCAJCAHHAH0.4°0.1°
HAHCAHCAGHAG0.2°0.1°
HAGCAGCAIHAI0.3°0.0°
HAICAICAKHAK0.5°0.1°
HAN1CANCAQHAQ1177.5°179.9°
HAN1CANCAQHAQ262.6°60.0°
HAN2CANCAQHAQ159.0°60.0°
HAN2CANCAQHAQ2178.9°180.0°
HAQ1CAQCAYHAY158.8°175.0°
HAQ2CAQCAYHAY81.3°64.9°
HAYCAYNH179.2°158.8°
HNCAHA65.5°158.9°
HACACBHB1C59.9°172.1°
HACACBHB2C60.1°67.8°
HACACBHB3C179.9°52.1°
HB1CCBHB2CHB3C119.9°120.0°
HBBCBBCAPHAP162.7°66.2°
HBBCBBCAPHAP2177.4°172.7°
HBBCBBCAZHAZ169.5°169.5°
HBACBACARHAR126.6°23.9°
HBACBACARHAR296.0°99.9°
HAP1CAPCAMHAM149.1°56.2°
HAP1CAPCAMHAM269.5°62.8°
HAP2CAPCAMHAM1169.1°177.3°
HAP2CAPCAMHAM250.5°58.3°
HAZCAZCAOHAO1176.7°176.4°
HAZCAZCAOHAO263.1°62.5°
HAZCAZCARHAR1167.0°163.1°
HAZCAZCARHAR244.4°39.3°
HAM1CAMCALHAL144.8°54.9°
HAM1CAMCALHAL2163.8°173.9°
HAM2CAMCALHAL173.9°64.2°
HAM2CAMCALHAL245.1°54.8°
HAL1CALCAOHAO151.6°59.2°
HAL1CALCAOHAO268.7°61.9°
HAL2CALCAOHAO1170.6°178.2°
HAL2CALCAOHAO250.3°57.1°

222415

PDB entries from 2024-07-10

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