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BK6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C6doub1.33Å1.35ÅAromatic
C2N1sing1.32Å1.34ÅAromatic
N3C2doub1.31Å1.33ÅAromatic
N3C4sing1.33Å1.35ÅAromatic
C4NBCsing1.36Å1.33ÅAromatic
C4C5doub1.41Å1.39ÅAromatic
C5C6sing1.40Å1.40ÅAromatic
C5CAWsing1.46Å1.41ÅAromatic
C6NABsing1.38Å1.34Å
CAAOASsing1.43Å1.46Å
CADCAFdoub1.36Å1.40ÅAromatic
CADCAUsing1.41Å1.40ÅAromatic
CAECACdoub1.36Å1.39ÅAromatic
CAFCAXsing1.41Å1.40ÅAromatic
CAHCATdoub1.37Å1.39ÅAromatic
CAICAYsing1.40Å1.40ÅAromatic
CAJCALsing1.53Å1.54Å
CAKNARsing1.47Å1.48Å
CAKCAMsing1.53Å1.55Å
CALCBBsing1.53Å1.54Å
CAMCBBsing1.53Å1.54Å
CANNBCsing1.46Å1.48Å
NAQCAWdoub1.31Å1.34ÅAromatic
NARCAJsing1.47Å1.47Å
CATCACsing1.40Å1.39ÅAromatic
CATOASsing1.36Å1.37Å
CAUCAIdoub1.38Å1.40ÅAromatic
CAWCAUsing1.48Å1.39Å
CAXCAHsing1.40Å1.40ÅAromatic
CAXCAYdoub1.42Å1.39ÅAromatic
CAYCAEsing1.41Å1.38ÅAromatic
CBBCANsing1.53Å1.57Å
NBCNAQsing1.40Å1.24ÅAromatic
C2H2sing1.08Å1.08Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
NABHNABsing0.97Å1.00Å
NABHNAAsing0.97Å1.00Å
CACHACsing1.08Å1.08Å
CADHADsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAJHAJsing1.09Å1.10Å
CAJHAJAsing1.09Å1.10Å
CAKHAKsing1.09Å1.10Å
CAKHAKAsing1.09Å1.10Å
CALHALsing1.09Å1.10Å
CALHALAsing1.09Å1.10Å
CAMHAMsing1.09Å1.10Å
CAMHAMAsing1.09Å1.10Å
CANHANsing1.09Å1.10Å
CANHANAsing1.09Å1.10Å
NARHNARsing1.01Å1.00Å
CBBHBBsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6N1C2122.0°121.1°
N1C6C5118.4°118.4°
N1C6NAB118.5°120.8°
N1C2N3121.0°122.7°
N1C2H2119.5°118.7°
C2N3C4120.1°120.7°
N3C2H2119.5°118.6°
N3C4NBC132.5°134.5°
N3C4C5120.9°118.7°
NBCC4C5106.6°106.9°
C4NBCCAN123.8°125.3°
C4NBCNAQ112.5°109.4°
C4C5C6117.6°118.5°
C4C5CAW104.0°106.4°
C6C5CAW138.4°135.0°
C5C6NAB123.1°120.8°
C5CAWNAQ107.2°107.4°
C5CAWCAU127.7°126.3°
C6NABHNAB109.5°120.0°
C6NABHNAA109.5°120.0°
CAAOASCAT116.5°117.0°
OASCAAHAA109.5°109.5°
OASCAAHAAA109.5°109.5°
OASCAAHAAB109.4°109.4°
CAFCADCAU120.0°120.8°
CADCAFCAX121.0°120.0°
CAFCADHAD120.0°119.7°
CADCAFHAF119.5°119.9°
CADCAUCAI118.4°120.5°
CADCAUCAW120.5°119.7°
CAUCADHAD120.0°119.5°
CAECACCAT119.1°120.9°
CACCAECAY121.9°119.8°
CAECACHAC120.5°119.5°
CACCAEHAE119.1°120.1°
CAFCAXCAH121.2°121.0°
CAFCAXCAY119.0°119.6°
CAXCAFHAF119.5°120.0°
CAHCATCAC119.5°120.9°
CAHCATOAS121.8°119.6°
CATCAHCAX120.5°119.7°
CATCAHHAH119.7°120.1°
CAYCAICAU121.5°119.5°
CAICAYCAX120.0°119.5°
CAICAYCAE120.9°121.1°
CAYCAIHAI119.3°120.3°
CAJCALCBB110.3°109.3°
CALCAJNAR107.9°109.5°
CALCAJHAJ110.0°109.5°
CALCAJHAJA110.0°109.5°
CAJCALHAL109.2°109.5°
CAJCALHALA109.2°109.5°
NARCAKCAM110.9°109.5°
CAKNARCAJ109.7°111.2°
NARCAKHAK109.0°109.5°
NARCAKHAKA109.0°109.5°
CAKNARHNAR109.4°110.9°
CAKCAMCBB114.5°109.3°
CAMCAKHAK109.0°109.4°
CAMCAKHAKA109.0°109.5°
CAKCAMHAM107.8°109.5°
CAKCAMHAMA107.8°109.5°
CALCBBCAM109.7°109.2°
CALCBBCAN108.6°109.5°
CBBCALHAL109.2°109.5°
CBBCALHALA109.2°109.5°
CALCBBHBB110.3°109.6°
CAMCBBCAN110.5°109.5°
CBBCAMHAM107.8°109.5°
CBBCAMHAMA107.8°109.5°
CAMCBBHBB108.3°109.5°
NBCCANCBB113.8°109.5°
CANNBCNAQ123.7°125.3°
NBCCANHAN108.1°109.5°
NBCCANHANA108.1°109.5°
NAQCAWCAU125.2°126.3°
CAWNAQNBC109.8°109.9°
NARCAJHAJ110.0°109.4°
NARCAJHAJA110.0°109.5°
CAJNARHNAR109.4°111.0°
CACCATOAS118.7°119.5°
CATCACHAC120.5°119.6°
CAICAUCAW120.9°119.8°
CAUCAIHAI119.3°120.2°
CAHCAXCAY119.8°119.3°
CAXCAHHAH119.7°120.2°
CAXCAYCAE119.1°119.4°
CAYCAEHAE119.1°120.1°
CBBCANHAN108.1°109.5°
CBBCANHANA108.1°109.5°
CANCBBHBB109.5°109.6°
HAACAAHAAA109.4°109.5°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.5°109.5°
HNABNABHNAA109.4°120.0°
HAJCAJHAJA108.9°109.4°
HAKCAKHAKA110.0°109.5°
HALCALHALA109.7°109.6°
HAMCAMHAMA111.1°109.6°
HANCANHANA110.8°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6N1C2N30.4°0.0°
N1C6C5C40.5°0.0°
N1C6C5NAB179.2°180.0°
N1C6C5CAW179.6°180.0°
C6N1C2H2179.6°180.0°
N1C6NABHNAB0.0°16.8°
N1C6NABHNAA120.0°163.3°
N1C2N3H2180.0°180.0°
N1C2N3C40.8°0.0°
C2N1C6C51.0°0.0°
C2N1C6NAB179.7°180.0°
C2N3C4NBC180.0°180.0°
C2N3C4C51.3°0.0°
N3C4NBCC5178.8°180.0°
N3C4C5C60.7°0.0°
N3C4C5CAW178.7°180.0°
N3C4NBCCAN0.9°0.0°
N3C4NBCNAQ177.7°180.0°
C4N3C2H2179.2°180.0°
NBCC4C5C6179.7°180.0°
NBCC4C5CAW0.3°0.0°
C4NBCCANNAQ178.5°179.9°
C4NBCNAQCAW1.5°0.0°
C4NBCCANCBB74.9°90.0°
C4NBCCANHAN165.1°30.0°
C4NBCCANHANA45.1°150.0°
C4C5C6CAW179.1°180.0°
C4C5C6NAB179.7°180.0°
C5C4NBCCAN179.8°180.0°
C4C5CAWNAQ0.5°0.0°
C4C5CAWCAU178.7°180.0°
C5C4NBCNAQ1.1°0.0°
C6C5CAWNAQ178.6°180.0°
C6C5CAWCAU0.4°0.1°
C5C6NABHNAB179.2°163.2°
C5C6NABHNAA60.8°16.7°
CAWC5C6NAB1.3°0.0°
C5CAWCAUCAD132.1°44.7°
C5CAWNAQCAU178.3°180.0°
C5CAWCAUCAI52.7°135.3°
C5CAWNAQNBC1.2°0.0°
C6NABHNABHNAA120.0°179.9°
CAAOASCATCAH5.4°180.0°
CAAOASCATCAC174.0°0.0°
OASCAAHAAHAAA120.0°120.0°
OASCAAHAAHAAB120.0°120.0°
OASCAAHAAAHAAB120.0°120.0°
CAFCADCAUHAD180.0°179.9°
CADCAFCAXHAF180.0°179.9°
CAFCADCAUCAI2.9°0.0°
CAFCADCAUCAW178.3°180.0°
CADCAFCAXCAH179.9°179.8°
CADCAFCAXCAY0.0°0.1°
CAUCADCAFCAX1.7°0.1°
CADCAUCAICAY2.6°0.0°
CADCAUCAWNAQ50.0°135.3°
CADCAUCAICAW175.3°179.9°
CAUCADCAFHAF178.3°180.0°
CADCAUCAIHAI177.5°180.0°
CAECACCATCAH0.3°0.2°
CACCAECAYCAI179.0°180.0°
CAECACCATHAC180.0°179.7°
CAECACCATOAS179.7°179.8°
CACCAECAYCAX0.8°0.0°
CACCAECAYHAE180.0°180.0°
CAFCAXCAHCAT179.7°180.0°
CAFCAXCAYCAI0.4°0.1°
CAFCAXCAHCAY179.9°179.7°
CAFCAXCAYCAE179.7°180.0°
CAXCAFCADHAD178.3°180.0°
CAFCAXCAHHAH0.3°0.1°
CAHCATCACOAS179.5°180.0°
CATCAHCAXHAH180.0°179.9°
CATCAHCAXCAY0.4°0.3°
CAHCATCACHAC179.7°180.0°
CAYCAICAUHAI180.0°180.0°
CAYCAICAUCAW177.9°180.0°
CAICAYCAXCAH179.7°179.8°
CAICAYCAXCAE179.8°180.0°
CAICAYCAEHAE1.0°0.0°
CALCAJNARCAK67.8°61.8°
CAJCALCBBHAL120.0°119.9°
CAJCALCBBHALA120.0°120.0°
CAJCALCBBCAM52.7°57.7°
CALCAJNARHAJ120.0°120.0°
CALCAJNARHAJA120.0°120.0°
CAJCALCBBCAN173.5°177.6°
CALCAJHAJHAJA120.7°120.0°
CAJCALHALHALA119.6°120.1°
CALCAJNARHNAR172.2°174.2°
CAJCALCBBHBB66.6°62.2°
NARCAKCAMHAK120.0°120.0°
NARCAKCAMHAKA120.0°120.0°
NARCAKCAMCBB48.6°59.2°
CAKNARCAJHNAR120.0°124.0°
CAKNARCAJHAJ172.2°178.2°
CAKNARCAJHAJA52.2°58.3°
NARCAKHAKHAKA119.4°120.0°
NARCAKCAMHAM71.4°60.7°
NARCAKCAMHAMA168.6°179.1°
CAKCAMCBBCAL45.2°57.7°
CAKCAMCBBHAM120.0°119.9°
CAKCAMCBBHAMA120.0°119.9°
CAMCAKNARCAJ59.4°61.8°
CAKCAMCBBCAN164.9°177.6°
CAMCAKHAKHAKA119.4°119.9°
CAKCAMHAMHAMA117.9°120.1°
CAMCAKNARHNAR179.4°174.1°
CAKCAMCBBHBB75.2°62.3°
CALCBBCAMCAN119.7°119.9°
CALCBBCAMHBB120.4°120.0°
CALCBBCANNBC178.3°175.0°
CBBCALCAJNAR64.8°59.2°
CALCBBCANHBB120.4°120.2°
CBBCALCAJHAJ175.2°179.2°
CBBCALCAJHAJA55.2°60.8°
CBBCALHALHALA119.7°120.1°
CALCBBCAMHAM74.8°62.2°
CALCBBCAMHAMA165.2°177.6°
CALCBBCANHAN58.2°55.0°
CALCBBCANHANA61.8°64.9°
CAMCBBCANNBC57.9°65.3°
CAMCBBCANHBB119.2°120.1°
CBBCAMCAKHAK168.6°60.9°
CBBCAMCAKHAKA71.4°179.2°
CAMCBBCALHAL172.6°177.6°
CAMCBBCALHALA67.4°62.3°
CBBCAMHAMHAMA117.9°120.1°
CAMCBBCANHAN62.1°174.7°
CAMCBBCANHANA177.9°54.7°
CANNBCNAQCAW179.8°180.0°
NBCCANCBBHAN120.0°120.0°
NBCCANCBBHANA120.0°120.0°
NBCCANHANHANA118.2°120.0°
NBCCANCBBHBB61.3°54.8°
NAQCAWCAUCAI125.2°44.6°
NARCAJHAJHAJA120.6°120.0°
CAJNARCAKHAK179.3°58.2°
CAJNARCAKHAKA60.7°178.2°
NARCAJCALHAL175.2°179.1°
NARCAJCALHALA55.2°60.7°
CACCATCAHCAX0.4°0.1°
CATCACCAECAY0.9°0.2°
CATCACCAEHAE179.1°179.8°
CACCATCAHHAH179.6°180.0°
OASCATCAHCAX179.1°179.9°
CATOASCAAHAA180.0°60.0°
CATOASCAAHAAA60.0°180.0°
CATOASCAAHAAB60.0°60.0°
OASCATCACHAC0.3°0.0°
OASCATCAHHAH0.9°0.0°
CAUCAICAYCAX0.9°0.0°
CAUCAICAYCAE179.0°180.0°
CAICAUCADHAD177.1°179.9°
CAUCAWNAQNBC179.5°180.0°
CAWCAUCADHAD1.7°0.1°
CAWCAUCAIHAI2.1°0.0°
CAHCAXCAYCAE0.2°0.3°
CAHCAXCAFHAF0.1°0.3°
CAXCAYCAEHAE179.2°180.0°
CAYCAXCAFHAF180.0°180.0°
CAYCAXCAHHAH179.6°179.8°
CAXCAYCAIHAI179.1°180.0°
CAYCAECACHAC179.1°180.0°
CAECAYCAIHAI1.0°0.0°
CBBCANNBCNAQ106.6°90.0°
CANCBBCALHAL66.5°62.5°
CANCBBCALHALA53.5°57.6°
CANCBBCAMHAM44.9°57.7°
CANCBBCAMHAMA75.1°62.5°
CBBCANHANHANA118.3°120.0°
NAQNBCCANHAN13.5°150.0°
NAQNBCCANHANA133.5°30.1°
HAACAAHAAAHAAB120.0°120.0°
HACCACCAEHAE0.9°0.0°
HADCADCAFHAF1.7°0.1°
HAJCAJCALHAL55.2°60.9°
HAJCAJCALHALA64.8°59.3°
HAJCAJNARHNAR52.2°54.2°
HAJACAJCALHAL64.8°59.1°
HAJACAJCALHALA175.2°179.2°
HAJACAJNARHNAR67.8°65.8°
HAKCAKCAMHAM48.6°179.2°
HAKCAKCAMHAMA71.4°59.1°
HAKCAKNARHNAR60.7°65.9°
HAKACAKCAMHAM168.6°59.3°
HAKACAKCAMHAMA48.6°60.9°
HAKACAKNARHNAR59.4°54.1°
HALCALCBBHBB53.4°57.7°
HALACALCBBHBB173.4°177.8°
HAMCAMCBBHBB164.8°177.8°
HAMACAMCBBHBB44.8°57.7°
HANCANCBBHBB178.7°65.2°
HANACANCBBHBB58.7°174.8°

226262

PDB entries from 2024-10-16

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