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BK7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C6doub1.33Å1.36ÅAromatic
C2N1sing1.32Å1.34ÅAromatic
C2N3doub1.32Å1.33ÅAromatic
N3C4sing1.33Å1.36ÅAromatic
C4NBDsing1.36Å1.33ÅAromatic
C4C5doub1.41Å1.39ÅAromatic
C5CAXsing1.46Å1.40ÅAromatic
C6C5sing1.40Å1.40ÅAromatic
C6NABsing1.38Å1.33Å
CADCAFdoub1.36Å1.39ÅAromatic
CADCAVsing1.41Å1.40ÅAromatic
CAECACdoub1.36Å1.39ÅAromatic
CAFCAYsing1.41Å1.39ÅAromatic
CAHCAUdoub1.37Å1.39ÅAromatic
CAICAZsing1.40Å1.39ÅAromatic
CAJCAAsing1.53Å1.52Å
CAJOATsing1.43Å1.44Å
CAKCAMsing1.53Å1.52Å
CALNASsing1.47Å1.48Å
CALCANsing1.53Å1.54Å
CAMCBCsing1.53Å1.53Å
CANCBCsing1.53Å1.54Å
CAONBDsing1.46Å1.48Å
NARCAXdoub1.31Å1.34ÅAromatic
NASCAKsing1.47Å1.47Å
CAUCACsing1.40Å1.40ÅAromatic
CAUOATsing1.36Å1.36Å
CAVCAIdoub1.38Å1.40ÅAromatic
CAXCAVsing1.48Å1.40Å
CAYCAHsing1.40Å1.39ÅAromatic
CAYCAZdoub1.42Å1.40ÅAromatic
CAZCAEsing1.41Å1.39ÅAromatic
CBCCAOsing1.53Å1.56Å
NBDNARsing1.40Å1.24ÅAromatic
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
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
NASHNASsing1.01Å1.00Å
CBCHBCsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6N1C2123.5°121.1°
N1C6C5118.8°118.4°
N1C6NAB118.9°120.8°
N1C2N3118.1°122.7°
N1C2H2121.0°118.7°
C2N3C4121.8°120.6°
N3C2H2121.0°118.6°
N3C4NBD132.4°134.4°
N3C4C5121.1°118.7°
NBDC4C5106.4°106.9°
C4NBDCAO123.3°125.3°
C4NBDNAR112.4°109.4°
C4C5CAX104.2°106.4°
C4C5C6116.7°118.5°
CAXC5C6139.1°135.0°
C5CAXNAR106.9°107.4°
C5CAXCAV127.2°126.3°
C5C6NAB122.3°120.8°
C6NABHNAB109.5°120.1°
C6NABHNAA109.5°120.0°
CAFCADCAV121.2°120.9°
CADCAFCAY119.6°120.0°
CAFCADHAD119.4°119.6°
CADCAFHAF120.2°120.0°
CADCAVCAI118.8°120.5°
CADCAVCAX118.6°119.7°
CAVCADHAD119.4°119.5°
CAECACCAU120.2°120.9°
CACCAECAZ119.7°119.7°
CAECACHAC119.9°119.5°
CACCAEHAE120.1°120.1°
CAFCAYCAH120.7°121.0°
CAFCAYCAZ119.7°119.6°
CAYCAFHAF120.2°120.0°
CAHCAUCAC119.7°120.8°
CAHCAUOAT120.7°119.6°
CAUCAHCAY120.4°119.7°
CAUCAHHAH119.8°120.1°
CAZCAICAV120.4°119.5°
CAICAZCAY120.4°119.5°
CAICAZCAE119.3°121.1°
CAZCAIHAI119.8°120.3°
CAACAJOAT108.8°109.4°
CAJCAAHAA109.5°109.5°
CAJCAAHAAA109.4°109.5°
CAJCAAHAAB109.5°109.5°
CAACAJHAJ109.7°109.4°
CAACAJHAJA109.7°109.4°
CAJOATCAU113.1°117.0°
OATCAJHAJ109.7°109.5°
OATCAJHAJA109.7°109.5°
CAKCAMCBC111.1°109.3°
CAMCAKNAS107.2°109.5°
CAMCAKHAK110.3°109.4°
CAMCAKHAKA110.2°109.4°
CAKCAMHAM108.9°109.5°
CAKCAMHAMA108.9°109.5°
NASCALCAN111.5°109.5°
CALNASCAK109.8°111.2°
NASCALHAL108.8°109.5°
NASCALHALA108.8°109.5°
CALNASHNAS109.4°111.0°
CALCANCBC114.7°109.2°
CANCALHAL108.8°109.5°
CANCALHALA108.8°109.4°
CALCANHAN107.7°109.5°
CALCANHANA107.7°109.5°
CAMCBCCAN111.7°109.2°
CAMCBCCAO108.4°109.5°
CBCCAMHAM108.9°109.5°
CBCCAMHAMA108.9°109.5°
CAMCBCHBC108.5°109.5°
CANCBCCAO108.9°109.5°
CBCCANHAN107.8°109.5°
CBCCANHANA107.7°109.5°
CANCBCHBC108.0°109.5°
NBDCAOCBC113.5°109.5°
CAONBDNAR124.3°125.3°
NBDCAOHAO108.2°109.5°
NBDCAOHAOA108.2°109.5°
NARCAXCAV125.9°126.3°
CAXNARNBD110.1°109.9°
NASCAKHAK110.2°109.5°
NASCAKHAKA110.2°109.5°
CAKNASHNAS109.4°111.0°
CACCAUOAT119.6°119.6°
CAUCACHAC119.9°119.5°
CAICAVCAX122.6°119.8°
CAVCAIHAI119.8°120.2°
CAHCAYCAZ119.6°119.3°
CAYCAHHAH119.8°120.2°
CAYCAZCAE120.3°119.4°
CAZCAEHAE120.1°120.1°
CBCCAOHAO108.2°109.5°
CBCCAOHAOA108.1°109.5°
CAOCBCHBC111.3°109.5°
HAACAAHAAA109.5°109.4°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.5°109.4°
HNABNABHNAA109.5°120.0°
HAJCAJHAJA109.2°109.5°
HAKCAKHAKA108.7°109.5°
HALCALHALA110.1°109.4°
HAMCAMHAMA110.0°109.6°
HANCANHANA111.2°109.5°
HAOCAOHAOA110.7°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6N1C2N31.0°0.1°
N1C6C5C40.0°0.0°
N1C6C5CAX179.4°180.0°
N1C6C5NAB179.7°180.0°
C6N1C2H2178.9°180.0°
N1C6NABHNAB0.0°16.7°
N1C6NABHNAA120.0°163.2°
N1C2N3H2180.0°179.9°
N1C2N3C40.9°0.1°
C2N1C6C50.6°0.1°
C2N1C6NAB179.1°180.0°
C2N3C4NBD179.6°180.0°
C2N3C4C50.3°0.1°
N3C4NBDC5179.9°180.0°
N3C4C5CAX179.5°180.0°
N3C4C5C60.2°0.0°
N3C4NBDCAO0.1°0.0°
N3C4NBDNAR179.6°180.0°
C4N3C2H2179.1°180.0°
NBDC4C5CAX0.5°0.0°
NBDC4C5C6179.9°180.0°
C4NBDCAONAR179.7°180.0°
C4NBDNARCAX0.0°0.0°
C4NBDCAOCBC66.2°90.0°
C4NBDCAOHAO173.8°30.0°
C4NBDCAOHAOA53.9°150.0°
C4C5CAXC6179.5°180.0°
C4C5C6NAB179.7°180.0°
C5C4NBDCAO180.0°180.0°
C4C5CAXNAR0.5°0.0°
C4C5CAXCAV179.5°180.0°
C5C4NBDNAR0.3°0.0°
CAXC5C6NAB0.2°0.0°
C5CAXCAVCAD122.1°44.7°
C5CAXNARCAV179.1°179.9°
C5CAXCAVCAI59.2°135.3°
C5CAXNARNBD0.3°0.0°
C6C5CAXNAR180.0°180.0°
C6C5CAXCAV1.0°0.1°
C5C6NABHNAB179.7°163.3°
C5C6NABHNAA59.6°16.8°
C6NABHNABHNAA120.0°179.9°
CAFCADCAVHAD180.0°179.9°
CADCAFCAYHAF180.0°179.9°
CAFCADCAVCAI0.4°0.1°
CAFCADCAVCAX179.2°179.9°
CADCAFCAYCAH179.6°179.8°
CADCAFCAYCAZ0.1°0.1°
CAVCADCAFCAY0.0°0.1°
CADCAVCAICAZ0.7°0.0°
CADCAVCAXNAR56.8°135.4°
CADCAVCAICAX178.7°180.0°
CAVCADCAFHAF180.0°180.0°
CADCAVCAIHAI179.4°180.0°
CAECACCAUCAH0.1°0.2°
CACCAECAZCAI180.0°180.0°
CAECACCAUHAC180.0°179.8°
CAECACCAUOAT180.0°179.8°
CACCAECAZCAY0.1°0.0°
CACCAECAZHAE180.0°180.0°
CAFCAYCAHCAU179.8°180.0°
CAFCAYCAZCAI0.2°0.1°
CAFCAYCAHCAZ179.7°179.7°
CAFCAYCAZCAE179.8°180.0°
CAYCAFCADHAD180.0°180.0°
CAFCAYCAHHAH0.2°0.1°
CAHCAUOATCAJ21.8°180.0°
CAHCAUCACOAT179.8°180.0°
CAUCAHCAYHAH180.0°180.0°
CAUCAHCAYCAZ0.1°0.3°
CAHCAUCACHAC179.9°180.0°
CAZCAICAVHAI180.0°180.0°
CAZCAICAVCAX179.4°180.0°
CAICAZCAYCAH179.9°179.8°
CAICAZCAYCAE179.9°180.0°
CAICAZCAEHAE0.0°0.0°
CAACAJOATHAJ120.0°119.9°
CAACAJOATHAJA120.0°120.0°
CAACAJOATCAU160.4°180.0°
CAJCAAHAAHAAA120.0°120.0°
CAJCAAHAAHAAB120.0°120.1°
CAJCAAHAAAHAAB120.0°120.0°
CAACAJHAJHAJA120.3°120.0°
CAJOATCAUCAC158.4°0.0°
OATCAJCAAHAA180.0°60.0°
OATCAJCAAHAAA60.0°60.0°
OATCAJCAAHAAB60.0°180.0°
OATCAJHAJHAJA120.3°120.1°
CAMCAKNASCAL69.4°61.7°
CAKCAMCBCHAM120.0°119.9°
CAKCAMCBCHAMA120.0°119.9°
CAKCAMCBCCAN48.7°57.6°
CAMCAKNASHAK120.0°120.0°
CAMCAKNASHAKA120.0°120.0°
CAKCAMCBCCAO168.7°177.5°
CAMCAKHAKHAKA120.9°119.9°
CAKCAMHAMHAMA119.3°120.1°
CAMCAKNASHNAS170.7°174.2°
CAKCAMCBCHBC70.3°62.3°
NASCALCANHAL120.0°120.1°
NASCALCANHALA120.0°120.0°
NASCALCANCBC44.6°59.2°
CALNASCAKHNAS120.0°124.1°
CALNASCAKHAK170.6°178.3°
CALNASCAKHAKA50.7°58.2°
NASCALHALHALA119.2°120.0°
NASCALCANHAN75.4°60.8°
NASCALCANHANA164.5°179.1°
CALCANCBCCAM39.2°57.7°
CALCANCBCHAN120.0°119.9°
CALCANCBCHANA120.0°119.9°
CANCALNASCAK59.8°61.8°
CALCANCBCCAO159.0°177.6°
CANCALHALHALA119.2°119.9°
CALCANHANHANA117.8°120.1°
CANCALNASHNAS179.8°174.1°
CALCANCBCHBC80.0°62.3°
CAMCBCCANCAO119.8°119.9°
CAMCBCCANHBC119.2°119.9°
CAMCBCCAONBD175.1°175.0°
CBCCAMCAKNAS63.7°59.1°
CAMCBCCAOHBC119.2°120.1°
CBCCAMCAKHAK176.3°179.2°
CBCCAMCAKHAKA56.3°60.8°
CBCCAMHAMHAMA119.3°120.1°
CAMCBCCANHAN80.8°62.3°
CAMCBCCANHANA159.2°177.6°
CAMCBCCAOHAO64.8°55.0°
CAMCBCCAOHAOA55.1°65.0°
CANCBCCAONBD63.1°65.3°
CANCBCCAOHBC119.0°120.1°
CBCCANCALHAL164.6°60.9°
CBCCANCALHALA75.4°179.2°
CANCBCCAMHAM168.6°177.6°
CANCBCCAMHAMA71.4°62.2°
CBCCANHANHANA117.9°120.2°
CANCBCCAOHAO56.9°174.7°
CANCBCCAOHAOA176.9°54.7°
CAONBDNARCAX179.7°180.0°
NBDCAOCBCHAO120.0°120.0°
NBDCAOCBCHAOA120.0°120.0°
NBDCAOHAOHAOA118.4°120.0°
NBDCAOCBCHBC55.9°54.8°
NARCAXCAVCAI122.0°44.6°
NASCAKHAKHAKA120.9°120.0°
CAKNASCALHAL179.8°58.3°
CAKNASCALHALA60.3°178.3°
NASCAKCAMHAM176.3°179.1°
NASCAKCAMHAMA56.3°60.7°
CACCAUCAHCAY0.0°0.1°
CAUCACCAECAZ0.2°0.2°
CAUCACCAEHAE179.8°179.8°
CACCAUCAHHAH180.0°180.0°
OATCAUCAHCAY179.8°180.0°
OATCAUCACHAC0.1°0.0°
OATCAUCAHHAH0.2°0.0°
CAUOATCAJHAJ40.3°60.1°
CAUOATCAJHAJA79.7°60.0°
CAVCAICAZCAY0.6°0.0°
CAVCAICAZCAE179.4°180.0°
CAICAVCADHAD179.6°179.9°
CAVCAXNARNBD179.4°180.0°
CAXCAVCADHAD0.8°0.1°
CAXCAVCAIHAI0.6°0.0°
CAHCAYCAZCAE0.0°0.3°
CAHCAYCAFHAF0.4°0.3°
CAYCAZCAEHAE179.9°180.0°
CAZCAYCAFHAF179.9°180.0°
CAZCAYCAHHAH179.9°179.7°
CAYCAZCAIHAI179.5°180.0°
CAZCAECACHAC179.9°180.0°
CAECAZCAIHAI0.6°0.0°
CBCCAONBDNAR114.2°90.0°
CAOCBCCAMHAM71.3°62.5°
CAOCBCCAMHAMA48.7°57.7°
CAOCBCCANHAN39.0°57.7°
CAOCBCCANHANA81.0°62.5°
CBCCAOHAOHAOA118.3°120.0°
NARNBDCAOHAO5.9°150.0°
NARNBDCAOHAOA125.8°30.0°
HAACAAHAAAHAAB120.0°120.0°
HAACAACAJHAJ60.0°60.0°
HAACAACAJHAJA60.0°180.0°
HAAACAACAJHAJ60.0°180.0°
HAAACAACAJHAJA180.0°60.0°
HAABCAACAJHAJ180.0°60.1°
HAABCAACAJHAJA60.0°60.0°
HACCACCAEHAE0.1°0.0°
HADCADCAFHAF0.0°0.1°
HAKCAKCAMHAM56.3°60.9°
HAKCAKCAMHAMA63.7°59.3°
HAKCAKNASHNAS50.6°54.2°
HAKACAKCAMHAM63.7°59.1°
HAKACAKCAMHAMA176.3°179.3°
HAKACAKNASHNAS69.3°65.9°
HALCALCANHAN44.6°179.2°
HALCALCANHANA75.4°59.1°
HALCALNASHNAS60.2°65.8°
HALACALCANHAN164.6°59.2°
HALACALCANHANA44.6°60.9°
HALACALNASHNAS59.7°54.1°
HAMCAMCBCHBC49.7°57.6°
HAMACAMCBCHBC169.7°177.8°
HANCANCBCHBC160.0°177.8°
HANACANCBCHBC40.0°57.6°
HAOCAOCBCHBC175.9°65.2°
HAOACAOCBCHBC64.1°174.8°

226262

PDB entries from 2024-10-16

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