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SQ9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.33Å1.34ÅAromatic
N1C6sing1.33Å1.37ÅAromatic
C2N2sing1.39Å1.31Å
C2N3sing1.32Å1.35ÅAromatic
N3C4doub1.34Å1.35ÅAromatic
C4C5sing1.41Å1.36ÅAromatic
C4N9sing1.34Å1.33ÅAromatic
C5C6doub1.39Å1.36ÅAromatic
C5N7sing1.38Å1.35ÅAromatic
C6O6sing1.36Å1.39Å
O6CAKsing1.43Å1.45Å
N7C8sing1.37Å1.35ÅAromatic
C8N9doub1.31Å1.35ÅAromatic
C8CAMsing1.48Å1.34Å
CAKCALsing1.53Å1.54Å
CALCAPsing1.53Å1.55Å
CALCATsing1.53Å1.60Å
CAMCAUdoub1.39Å1.39ÅAromatic
CAMCAXsing1.40Å1.41ÅAromatic
CAOCAUsing1.38Å1.39ÅAromatic
CAOCAVdoub1.38Å1.38ÅAromatic
CAPCAQsing1.53Å1.52Å
CAQCARsing1.53Å1.61Å
CARCASsing1.53Å1.54Å
CASCATsing1.53Å1.60Å
CAVCAWsing1.38Å1.40ÅAromatic
CAWCAXdoub1.38Å1.41ÅAromatic
CAWSAZsing1.76Å1.80Å
CAXCAYsing1.51Å1.39Å
SAZOBAdoub1.42Å1.57Å
SAZNBBsing1.66Å1.45Å
SAZOBCdoub1.42Å1.55Å
N2HN2sing0.97Å1.00Å
N2HN2Asing0.97Å1.00Å
N7HN7sing0.97Å1.00Å
CAKHAKsing1.09Å1.10Å
CAKHAKAsing1.09Å1.10Å
CALHALsing1.09Å1.10Å
CAOHAOsing1.08Å1.08Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CAUHAUsing1.08Å1.08Å
CAVHAVsing1.08Å1.08Å
CAYHAYsing1.09Å1.10Å
CAYHAYAsing1.09Å1.10Å
CAYHAYBsing1.09Å1.10Å
NBBHNBBsing0.97Å1.00Å
NBBHNBAsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6119.0°121.1°
N1C2N2119.5°118.9°
N1C2N3121.1°122.3°
N1C6C5121.0°118.7°
N1C6O6121.6°120.7°
N2C2N3119.4°118.8°
C2N2HN2109.5°120.0°
C2N2HN2A109.4°120.0°
C2N3C4119.4°120.5°
N3C4C5121.4°118.7°
N3C4N9129.8°134.2°
C5C4N9108.7°107.2°
C4C5C6118.0°118.8°
C4C5N7108.6°106.3°
C4N9C8106.6°109.9°
C6C5N7133.4°135.0°
C5C6O6117.3°120.6°
C5N7C8105.4°107.0°
C5N7HN7127.3°126.5°
C6O6CAK115.1°117.0°
O6CAKCAL109.3°109.4°
O6CAKHAK109.5°109.6°
O6CAKHAKA109.5°109.5°
N7C8N9110.8°109.7°
N7C8CAM129.3°125.2°
C8N7HN7127.3°126.5°
N9C8CAM119.9°125.2°
C8CAMCAU117.1°120.2°
C8CAMCAX124.1°120.1°
CAKCALCAP109.5°109.5°
CAKCALCAT109.3°109.5°
CALCAKHAK109.5°109.4°
CALCAKHAKA109.5°109.4°
CAKCALHAL109.7°109.5°
CAPCALCAT109.8°109.4°
CALCAPCAQ111.7°109.5°
CAPCALHAL109.6°109.5°
CALCAPHAP108.9°109.5°
CALCAPHAPA108.9°109.5°
CALCATCAS112.5°109.5°
CATCALHAL109.0°109.5°
CALCATHAT108.7°109.5°
CALCATHATA108.7°109.4°
CAUCAMCAX118.7°119.7°
CAMCAUCAO122.9°119.9°
CAMCAUHAU118.5°120.0°
CAMCAXCAW118.4°119.8°
CAMCAXCAY120.8°120.1°
CAUCAOCAV118.1°120.1°
CAUCAOHAO121.0°119.9°
CAOCAUHAU118.6°120.1°
CAOCAVCAW120.8°120.2°
CAVCAOHAO120.9°119.9°
CAOCAVHAV119.6°119.9°
CAPCAQCAR109.6°109.4°
CAQCAPHAP108.9°109.4°
CAQCAPHAPA108.9°109.5°
CAPCAQHAQ109.5°109.5°
CAPCAQHAQA109.4°109.5°
CAQCARCAS112.8°109.5°
CARCAQHAQ109.4°109.5°
CARCAQHAQA109.4°109.5°
CAQCARHAR108.6°109.4°
CAQCARHARA108.6°109.5°
CARCASCAT109.2°109.5°
CASCARHAR108.6°109.5°
CASCARHARA108.6°109.5°
CARCASHAS109.5°109.4°
CARCASHASA109.5°109.5°
CATCASHAS109.6°109.5°
CATCASHASA109.5°109.5°
CASCATHAT108.7°109.5°
CASCATHATA108.7°109.4°
CAVCAWCAX121.1°120.2°
CAVCAWSAZ114.1°119.9°
CAWCAVHAV119.6°119.9°
CAXCAWSAZ124.7°119.9°
CAWCAXCAY120.8°120.1°
CAWSAZOBA106.9°106.4°
CAWSAZNBB113.9°107.2°
CAWSAZOBC109.5°106.4°
CAXCAYHAY109.5°109.5°
CAXCAYHAYA109.5°109.5°
CAXCAYHAYB109.5°109.5°
OBASAZNBB108.2°106.4°
OBASAZOBC112.1°123.2°
NBBSAZOBC106.4°106.4°
SAZNBBHNBB109.5°120.0°
SAZNBBHNBA109.4°120.0°
HN2N2HN2A109.4°120.0°
HAKCAKHAKA109.5°109.5°
HAPCAPHAPA109.4°109.5°
HAQCAQHAQA109.5°109.5°
HARCARHARA109.5°109.4°
HASCASHASA109.5°109.5°
HATCATHATA109.5°109.5°
HAYCAYHAYA109.5°109.5°
HAYCAYHAYB109.4°109.5°
HAYACAYHAYB109.5°109.4°
HNBBNBBHNBA109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N2N3179.2°180.0°
N1C2N3C40.8°0.0°
C2N1C6C52.4°0.0°
C2N1C6O6179.3°180.0°
N1C2N2HN20.0°0.0°
N1C2N2HN2A120.0°180.0°
C6N1C2N2178.4°180.0°
C6N1C2N32.4°0.0°
N1C6C5C40.8°0.0°
N1C6C5O6177.1°180.0°
N1C6C5N7179.5°180.0°
N1C6O6CAK68.0°0.0°
N2C2N3C4180.0°180.0°
C2N2HN2HN2A119.9°180.0°
C2N3C4C50.8°0.0°
C2N3C4N9178.5°180.0°
N3C2N2HN2179.2°180.0°
N3C2N2HN2A60.8°0.0°
N3C4C5N9178.1°180.0°
N3C4C5C60.8°0.0°
N3C4C5N7179.0°180.0°
N3C4N9C8178.4°180.0°
C4C5C6N7179.7°180.0°
C4C5C6O6177.9°180.0°
C4C5N7C80.9°0.0°
C5C4N9C80.4°0.0°
C4C5N7HN7179.1°180.0°
N9C4C5C6178.9°180.0°
N9C4C5N70.9°0.0°
C4N9C8N70.1°0.0°
C4N9C8CAM179.3°180.0°
C5C6O6CAK115.0°180.0°
C6C5N7C8178.8°180.0°
C6C5N7HN71.2°0.1°
N7C5C6O62.4°0.0°
C5N7C8HN7180.0°179.9°
C5N7C8N90.6°0.0°
C5N7C8CAM179.8°180.0°
C6O6CAKCAL175.8°180.0°
C6O6CAKHAK64.2°60.0°
C6O6CAKHAKA55.8°60.1°
O6CAKCALHAK119.9°120.1°
O6CAKCALHAKA120.0°120.0°
O6CAKCALCAP36.8°175.0°
O6CAKCALCAT157.0°65.0°
O6CAKHAKHAKA120.1°120.1°
O6CAKCALHAL83.5°55.1°
N7C8N9CAM179.2°180.0°
N7C8CAMCAU128.1°6.7°
N7C8CAMCAX54.9°173.1°
N9C8CAMCAU51.0°173.3°
N9C8CAMCAX126.0°6.9°
N9C8N7HN7179.4°180.0°
C8CAMCAUCAX177.2°179.8°
C8CAMCAUCAO178.4°180.0°
C8CAMCAXCAW178.6°180.0°
C8CAMCAXCAY1.1°0.0°
CAMC8N7HN70.2°0.0°
C8CAMCAUHAU1.6°0.0°
CAKCALCAPCAT120.0°120.0°
CAKCALCAPHAL120.4°120.0°
CAKCALCATHAL119.9°120.0°
CAKCALCAPCAQ155.9°180.0°
CAKCALCATCAS91.8°180.0°
CALCAKHAKHAKA120.1°119.9°
CAKCALCAPHAP83.8°60.0°
CAKCALCAPHAPA35.5°60.0°
CAKCALCATHAT28.6°60.0°
CAKCALCATHATA147.7°60.0°
CAPCALCATHAL120.0°120.0°
CALCAPCAQHAP120.4°120.0°
CALCAPCAQHAPA120.3°120.0°
CALCAPCAQCAR68.5°60.0°
CAPCALCATCAS28.3°60.0°
CAPCALCAKHAK83.2°55.0°
CAPCALCAKHAKA156.7°65.0°
CALCAPHAPHAPA118.9°120.0°
CALCAPCAQHAQ51.5°60.0°
CALCAPCAQHAQA171.4°180.0°
CAPCALCATHAT148.7°60.0°
CAPCALCATHATA92.2°180.0°
CATCALCAPCAQ35.9°60.0°
CALCATCASCAR62.9°60.0°
CALCATCASHAT120.4°120.0°
CALCATCASHATA120.5°120.0°
CATCALCAKHAK37.1°175.0°
CATCALCAKHAKA83.0°55.0°
CATCALCAPHAP156.2°180.0°
CATCALCAPHAPA84.5°60.0°
CALCATCASHAS177.2°60.0°
CALCATCASHASA57.1°180.0°
CALCATHATHATA118.7°120.0°
CAMCAUCAOHAU180.0°180.0°
CAMCAUCAOCAV0.5°0.0°
CAUCAMCAXCAW1.6°0.2°
CAUCAMCAXCAY178.0°179.7°
CAMCAUCAOHAO179.5°180.0°
CAXCAMCAUCAO1.2°0.2°
CAMCAXCAWCAV1.4°0.1°
CAMCAXCAWCAY179.7°180.0°
CAMCAXCAWSAZ178.0°179.7°
CAXCAMCAUHAU178.8°179.8°
CAMCAXCAYHAY90.1°84.0°
CAMCAXCAYHAYA149.8°156.0°
CAMCAXCAYHAYB29.8°36.0°
CAUCAOCAVHAO180.0°180.0°
CAUCAOCAVCAW0.2°0.3°
CAUCAOCAVHAV179.8°180.0°
CAOCAVCAWHAV180.0°179.7°
CAOCAVCAWCAX0.7°0.3°
CAOCAVCAWSAZ177.6°180.0°
CAVCAOCAUHAU179.5°180.0°
CAPCAQCARHAQ120.0°120.0°
CAPCAQCARHAQA120.0°120.0°
CAPCAQCARCAS31.3°60.0°
CAQCAPCALHAL83.8°60.0°
CAQCAPHAPHAPA119.0°120.0°
CAPCAQHAQHAQA120.0°120.0°
CAPCAQCARHAR151.8°180.0°
CAPCAQCARHARA89.2°60.1°
CAQCARCASHAR120.5°120.0°
CAQCARCASHARA120.5°120.0°
CAQCARCASCAT30.2°60.0°
CARCAQCAPHAP171.1°180.0°
CARCAQCAPHAPA51.8°60.0°
CARCAQHAQHAQA119.9°120.0°
CAQCARHARHARA118.5°120.0°
CAQCARCASHAS150.2°60.0°
CAQCARCASHASA89.8°179.9°
CARCASCATHAS119.9°120.0°
CARCASCATHASA119.9°120.0°
CASCARCAQHAQ88.7°60.0°
CASCARCAQHAQA151.3°180.0°
CASCARHARHARA118.5°120.0°
CARCASHASHASA120.1°120.0°
CARCASCATHAT176.7°60.0°
CARCASCATHATA57.6°180.0°
CASCATCALHAL148.3°60.0°
CATCASCARHAR90.3°180.0°
CATCASCARHARA150.7°60.0°
CATCASHASHASA120.1°120.1°
CASCATHATHATA118.6°120.0°
CAVCAWCAXSAZ176.6°179.7°
CAVCAWCAXCAY178.3°180.0°
CAVCAWSAZOBA0.0°1.5°
CAVCAWSAZNBB119.4°115.0°
CAVCAWSAZOBC121.6°131.5°
CAWCAVCAOHAO179.8°179.7°
CAXCAWSAZOBA176.8°178.8°
CAXCAWSAZNBB63.8°65.3°
CAXCAWSAZOBC55.2°48.2°
CAXCAWCAVHAV179.3°180.0°
CAWCAXCAYHAY90.2°96.0°
CAWCAXCAYHAYA29.8°24.0°
CAWCAXCAYHAYB149.8°144.0°
SAZCAWCAXCAY1.7°0.3°
CAWSAZOBANBB123.1°114.1°
CAWSAZOBAOBC119.9°123.0°
CAWSAZNBBOBC120.7°113.5°
SAZCAWCAVHAV2.4°0.3°
CAWSAZNBBHNBB180.0°0.0°
CAWSAZNBBHNBA60.0°180.0°
CAXCAYHAYHAYA120.0°120.0°
CAXCAYHAYHAYB120.0°120.0°
CAXCAYHAYAHAYB120.0°120.0°
OBASAZNBBOBC120.6°132.9°
OBASAZNBBHNBB61.3°113.5°
OBASAZNBBHNBA178.6°66.5°
SAZNBBHNBBHNBA120.0°180.0°
OBCSAZNBBHNBB59.3°113.5°
OBCSAZNBBHNBA60.7°66.5°
HAKCAKCALHAL156.5°65.0°
HAKACAKCALHAL36.5°175.0°
HALCALCAPHAP36.6°60.0°
HALCALCAPHAPA155.9°180.0°
HALCALCATHAT91.3°NaN°
HALCALCATHATA27.8°60.0°
HAOCAOCAUHAU0.5°0.0°
HAOCAOCAVHAV0.2°0.0°
HAPCAPCAQHAQ68.9°60.0°
HAPCAPCAQHAQA51.1°60.0°
HAPACAPCAQHAQ171.8°180.0°
HAPACAPCAQHAQA68.2°60.0°
HAQCAQCARHAR31.8°60.0°
HAQCAQCARHARA150.8°179.9°
HAQACAQCARHAR88.2°60.0°
HAQACAQCARHARA30.8°59.9°
HARCARCASHAS29.7°60.0°
HARCARCASHASA149.8°59.9°
HARACARCASHAS89.4°180.0°
HARACARCASHASA30.7°60.0°
HASCASCATHAT56.7°180.0°
HASCASCATHATA62.4°60.0°
HASACASCATHAT63.4°60.0°
HASACASCATHATA177.5°60.0°
HAYCAYHAYAHAYB120.0°120.0°

222415

PDB entries from 2024-07-10

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