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A1IN6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBDOAIsing1.44Å1.44Å
CBDCBEsing1.53Å1.57Å
OAICACsing1.36Å1.38Å
CBECBCsing1.53Å1.53Å
CBCCBBsing1.53Å1.54Å
OBFCBGsing1.43Å1.45Å
OBFCADsing1.36Å1.38Å
CACCADdoub1.39Å1.38ÅAromatic
CACCABsing1.39Å1.36ÅAromatic
OBHCBIsing1.43Å1.42Å
OBHCABsing1.36Å1.32Å
CADCAEsing1.39Å1.40ÅAromatic
CBBCBAsing1.53Å1.52Å
CABCAAdoub1.39Å1.40ÅAromatic
CBACAZsing1.53Å1.42Å
CAECAFdoub1.38Å1.39ÅAromatic
CAZOAYsing1.45Å1.44Å
CAACAFsing1.38Å1.41ÅAromatic
CAFCAGsing1.51Å1.47Å
OAYCsing1.34Å1.36Å
CAMCANsing1.53Å1.46Å
CAMCALsing1.53Å1.51Å
CANCAOsing1.53Å1.59Å
CAGCALsing1.53Å1.60Å
CAGCAHsing1.51Å1.39Å
COdoub1.21Å1.23Å
CCAsing1.51Å1.40Å
CALCAQsing1.53Å1.62Å
CAVNsing1.47Å1.54Å
CAVCAUsing1.52Å1.48Å
CAHOAKdoub1.21Å1.25Å
CAHNsing1.34Å1.34Å
NCAsing1.47Å1.53Å
CACBsing1.54Å1.57Å
CAOCAPsing1.53Å1.51Å
CAUCATsing1.52Å1.59Å
CATCBsing1.53Å1.52Å
CAQCAPsing1.53Å1.54Å
CAMHAMsing1.09Å1.10Å
CAMHANsing1.09Å1.10Å
CANHAOsing1.09Å1.10Å
CANHAPsing1.09Å1.10Å
CAOHAQsing1.09Å1.10Å
CAOHARsing1.09Å1.10Å
CAPHASsing1.09Å1.10Å
CAPHATsing1.09Å1.10Å
CAQHAVsing1.09Å1.10Å
CAQHAUsing1.09Å1.10Å
CALHALsing1.09Å1.10Å
CAGHAGsing1.09Å1.10Å
CAVHB7sing1.09Å1.10Å
CAVHB8sing1.09Å1.10Å
CAUHB5sing1.09Å1.10Å
CAUHB6sing1.09Å1.10Å
CATHB3sing1.09Å1.10Å
CATHB4sing1.09Å1.10Å
CBHB2sing1.09Å1.10Å
CBHB1sing1.09Å1.10Å
CAHAsing1.09Å1.10Å
CAZHB9sing1.09Å1.10Å
CAZHAZsing1.09Å1.10Å
CBAHCAsing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
CBBHCBsing1.09Å1.10Å
CBBHBBsing1.09Å1.10Å
CBCHCCsing1.09Å1.10Å
CBCHBCsing1.09Å1.10Å
CBEHCEsing1.09Å1.10Å
CBEHBEsing1.09Å1.10Å
CBDHCDsing1.09Å1.10Å
CBDHBDsing1.09Å1.10Å
CBIHCIsing1.09Å1.10Å
CBIHBIsing1.09Å1.10Å
CBIHCHsing1.09Å1.10Å
CAAHAAsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
CBGHCGsing1.09Å1.10Å
CBGHBGsing1.09Å1.10Å
CBGHCFsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAICBDCBE109.9°108.1°
CBDOAICAC123.9°114.7°
OAICBDHCD109.3°109.8°
OAICBDHBD109.3°109.8°
CBDCBECBC111.0°110.1°
CBDCBEHCE109.1°109.4°
CBDCBEHBE109.1°109.3°
CBECBDHCD109.4°109.7°
CBECBDHBD109.4°109.7°
OAICACCAD121.9°120.0°
OAICACCAB117.4°120.3°
CBECBCCBB112.6°109.5°
CBECBCHCC108.7°109.5°
CBECBCHBC108.7°109.5°
CBCCBEHCE109.1°109.3°
CBCCBEHBE109.1°109.4°
CBCCBBCBA102.1°109.7°
CBCCBBHCB111.3°109.5°
CBCCBBHBB111.3°109.4°
CBBCBCHCC108.7°109.5°
CBBCBCHBC108.7°109.5°
CBGOBFCAD118.4°117.1°
OBFCBGHCG109.5°109.5°
OBFCBGHBG109.5°109.5°
OBFCBGHCF109.5°109.5°
OBFCADCAC115.0°120.0°
OBFCADCAE125.8°120.0°
CADCACCAB120.6°119.7°
CACCADCAE119.3°120.1°
CACCABOBH110.2°120.1°
CACCABCAA121.2°119.8°
CBIOBHCAB119.7°117.0°
OBHCBIHCI109.5°109.5°
OBHCBIHBI109.4°109.5°
OBHCBIHCH109.5°109.4°
OBHCABCAA128.6°120.1°
CADCAECAF121.4°119.9°
CADCAEHAE119.3°120.0°
CBBCBACAZ112.3°109.8°
CBBCBAHCA108.8°109.4°
CBBCBAHBA108.8°109.4°
CBACBBHCB111.3°109.4°
CBACBBHBB111.3°109.4°
CABCAACAF119.5°120.1°
CABCAAHAA120.2°120.0°
CBACAZOAY113.9°109.6°
CBACAZHB9108.4°109.5°
CBACAZHAZ108.4°109.4°
CAZCBAHCA108.8°109.4°
CAZCBAHBA108.7°109.4°
CAECAFCAA117.8°120.3°
CAECAFCAG121.5°119.4°
CAFCAEHAE119.3°120.1°
CAZOAYC107.8°117.5°
OAYCAZHB9108.4°109.5°
OAYCAZHAZ108.4°109.4°
CAACAFCAG120.7°120.3°
CAFCAAHAA120.2°119.9°
CAFCAGCAL115.1°109.9°
CAFCAGCAH110.1°107.0°
CAFCAGHAG106.7°110.0°
OAYCO121.9°119.9°
OAYCCA117.2°120.1°
CANCAMCAL112.7°109.5°
CAMCANCAO117.6°109.5°
CANCAMHAM108.6°109.4°
CANCAMHAN108.6°109.4°
CAMCANHAO107.4°109.5°
CAMCANHAP107.4°109.5°
CAMCALCAG109.4°109.4°
CAMCALCAQ111.8°109.4°
CALCAMHAM108.7°109.5°
CALCAMHAN108.7°109.5°
CAMCALHAL109.5°109.5°
CANCAOCAP111.2°109.5°
CAOCANHAO107.4°109.5°
CAOCANHAP107.4°109.5°
CANCAOHAQ109.0°109.5°
CANCAOHAR109.0°109.5°
CALCAGCAH111.3°109.9°
CAGCALCAQ109.4°109.5°
CAGCALHAL108.5°109.5°
CALCAGHAG105.3°110.0°
CAGCAHOAK120.1°118.7°
CAGCAHN119.8°122.6°
CAHCAGHAG107.8°110.0°
OCCA120.5°119.9°
CCAN108.3°109.3°
CCACB108.9°109.6°
CCAHA111.0°109.8°
CALCAQCAP108.7°109.5°
CALCAQHAV109.7°109.4°
CALCAQHAU109.7°109.5°
CAQCALHAL108.2°109.5°
NCAVCAU112.8°110.5°
CAVNCAH123.7°120.7°
CAVNCA118.4°119.6°
NCAVHB7108.7°109.3°
NCAVHB8108.6°109.3°
CAVCAUCAT108.1°112.6°
CAUCAVHB7108.6°109.3°
CAUCAVHB8108.6°109.3°
CAVCAUHB5109.8°108.8°
CAVCAUHB6109.8°108.9°
OAKCAHN119.9°118.7°
CAHNCA117.3°119.6°
NCACB111.0°109.0°
NCAHA109.1°109.6°
CACBCAT105.6°108.6°
CACBHB2110.4°109.6°
CACBHB1110.4°109.7°
CBCAHA108.5°109.6°
CAOCAPCAQ112.4°109.4°
CAPCAOHAQ109.0°109.4°
CAPCAOHAR109.0°109.5°
CAOCAPHAS108.7°109.5°
CAOCAPHAT108.7°109.4°
CAUCATCB107.6°112.1°
CATCAUHB5109.8°108.8°
CATCAUHB6109.8°108.9°
CAUCATHB3109.9°109.0°
CAUCATHB4109.9°109.0°
CBCATHB3110.0°108.9°
CBCATHB4109.9°109.0°
CATCBHB2110.4°109.7°
CATCBHB1110.5°109.6°
CAQCAPHAS108.8°109.5°
CAQCAPHAT108.7°109.5°
CAPCAQHAV109.7°109.5°
CAPCAQHAU109.7°109.5°
HAMCAMHAN109.5°109.6°
HAOCANHAP109.4°109.4°
HAQCAOHAR109.5°109.5°
HASCAPHAT109.5°109.5°
HAVCAQHAU109.5°109.5°
HB7CAVHB8109.5°109.2°
HB5CAUHB6109.5°108.8°
HB3CATHB4109.5°108.9°
HB2CBHB1109.5°109.6°
HB9CAZHAZ109.4°109.4°
HCACBAHBA109.5°109.4°
HCBCBBHBB109.5°109.4°
HCCCBCHBC109.5°109.4°
HCECBEHBE109.5°109.3°
HCDCBDHBD109.5°109.8°
HCICBIHBI109.5°109.5°
HCICBIHCH109.4°109.5°
HBICBIHCH109.5°109.4°
HCGCBGHBG109.5°109.5°
HCGCBGHCF109.5°109.5°
HBGCBGHCF109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAICBDCBEHCD120.1°119.7°
OAICBDCBEHBD120.1°119.7°
OAICBDCBECBC123.6°168.2°
CBDOAICACCAD80.6°89.1°
CBDOAICACCAB102.4°90.9°
OAICBDCBEHCE3.4°48.1°
OAICBDCBEHBE116.2°71.6°
OAICBDHCDHBD119.8°120.7°
CBECBDOAICAC46.1°1.2°
CBDCBECBCHCE120.2°120.2°
CBDCBECBCHBE120.2°120.1°
CBDCBECBCCBB120.9°179.6°
CBDCBECBCHCC118.7°60.4°
CBDCBECBCHBC0.4°59.6°
CBDCBEHCEHBE119.3°119.6°
CBECBDHCDHBD119.8°120.6°
OAICACCADOBF2.6°2.6°
OAICACCADCAB176.9°179.9°
OAICACCABOBH2.3°2.9°
OAICACCADCAE178.9°177.5°
OAICACCABCAA180.0°177.0°
CACOAICBDHCD166.2°120.9°
CACOAICBDHBD74.0°118.4°
CBECBCCBBHCC120.5°120.0°
CBECBCCBBHBC120.5°120.0°
CBECBCCBBCBA117.8°36.7°
CBECBCCBBHCB1.0°83.3°
CBECBCCBBHBB123.4°156.8°
CBECBCHCCHBC118.6°120.0°
CBCCBEHCEHBE119.3°119.7°
CBCCBECBDHCD116.3°72.1°
CBCCBECBDHBD3.5°48.6°
CBCCBBCBAHCB118.8°120.1°
CBCCBBCBAHBB118.8°120.0°
CBCCBBCBACAZ174.1°179.1°
CBCCBBCBAHCA53.6°60.8°
CBCCBBCBAHBA65.5°59.0°
CBCCBBHCBHBB123.4°119.9°
CBBCBCHCCHBC118.6°119.9°
CBBCBCCBEHCE0.6°59.4°
CBBCBCCBEHBE118.9°60.3°
CBGOBFCADCAC178.3°180.0°
CBGOBFCADCAE3.4°0.1°
OBFCBGHCGHBG120.0°120.0°
OBFCBGHCGHCF120.0°120.0°
OBFCBGHBGHCF120.0°119.9°
OBFCADCACCAE178.4°179.9°
OBFCADCACCAB179.6°177.3°
OBFCADCAECAF179.9°179.7°
OBFCADCAEHAE0.1°0.3°
CADOBFCBGHCG180.0°180.0°
CADOBFCBGHBG60.0°60.0°
CADOBFCBGHCF60.0°59.9°
CADCACCABOBH179.4°177.0°
CADCACCABCAA2.9°3.1°
CACCADCAECAF1.6°0.4°
CACCADCAEHAE178.4°179.6°
CACCABOBHCBI164.7°180.0°
CACCABOBHCAA177.5°179.9°
CABCACCADCAE2.0°2.6°
CACCABCAACAF3.4°0.5°
CACCABCAAHAA176.6°179.4°
CBIOBHCABCAA17.8°0.1°
OBHCBIHCIHBI120.0°120.0°
OBHCBIHCIHCH120.0°120.0°
OBHCBIHBIHCH120.0°119.9°
OBHCABCAACAF179.4°179.5°
CABOBHCBIHCI180.0°180.0°
CABOBHCBIHBI60.0°60.0°
CABOBHCBIHCH60.0°59.9°
OBHCABCAAHAA0.6°0.5°
CADCAECAFHAE180.0°180.0°
CADCAECAFCAA2.1°2.9°
CADCAECAFCAG178.5°175.2°
CBBCBACAZHCA120.4°120.1°
CBBCBACAZHBA120.4°120.0°
CBBCBACAZOAY70.8°122.8°
CBBCBACAZHB949.8°2.6°
CBBCBACAZHAZ168.5°117.3°
CBBCBAHCAHBA118.7°119.8°
CBACBBHCBHBB123.4°119.9°
CBACBBCBCHCC121.8°156.8°
CBACBBCBCHBC2.7°83.3°
CABCAACAFCAE2.9°2.5°
CABCAACAFHAA180.0°180.0°
CABCAACAFCAG177.7°175.7°
CBACAZOAYHB9120.7°120.1°
CBACAZOAYHAZ120.7°120.0°
CBACAZOAYC176.0°121.0°
CBACAZHB9HAZ118.0°119.9°
CAZCBAHCAHBA118.7°119.8°
CAZCBACBBHCB67.1°59.0°
CAZCBACBBHBB55.2°60.8°
CAECAFCAACAG179.4°178.1°
CAECAFCAGCAL70.4°45.2°
CAECAFCAGCAH56.5°74.1°
CAECAFCAGHAG173.2°166.4°
CAECAFCAAHAA177.1°177.6°
CAZOAYCO2.7°2.3°
CAZOAYCCA175.6°177.5°
OAYCAZHB9HAZ118.0°119.9°
OAYCAZCBAHCA168.8°117.1°
OAYCAZCBAHBA49.6°2.7°
CAACAFCAGCAL110.2°136.6°
CAACAFCAGCAH122.9°104.0°
CAACAFCAGHAG6.2°15.4°
CAACAFCAEHAE177.9°177.1°
CAFCAGCALCAM39.5°57.3°
CAFCAGCALCAH126.2°117.6°
CAFCAGCALHAG117.3°121.2°
CAFCAGCAHHAG116.0°119.4°
CAFCAGCALCAQ162.2°177.2°
CAFCAGCAHOAK96.9°36.2°
CAFCAGCAHN78.1°143.9°
CAFCAGCALHAL80.0°62.8°
CAGCAFCAAHAA2.3°4.3°
CAGCAFCAEHAE1.5°4.8°
OAYCOCA172.7°179.9°
OAYCCAN3.3°85.8°
OAYCCACB117.5°154.9°
OAYCCAHA123.1°34.5°
COAYCAZHB963.3°118.8°
COAYCAZHAZ55.3°1.1°
CANCAMCALHAM120.5°120.0°
CANCAMCALHAN120.5°119.9°
CAMCANCAOHAO121.2°120.0°
CAMCANCAOHAP121.2°120.0°
CANCAMCALCAG173.0°180.0°
CANCAMCALCAQ51.8°60.0°
CAMCANCAOCAP45.2°60.0°
CANCAMHAMHAN118.5°120.0°
CAMCANHAOHAP116.3°120.0°
CAMCANCAOHAQ165.4°180.0°
CAMCANCAOHAR75.1°60.0°
CANCAMCALHAL68.2°60.0°
CALCAMCANCAO46.1°60.0°
CAMCALCAGCAQ122.7°120.0°
CAMCALCAGHAL119.4°120.0°
CAMCALCAGCAH165.7°174.8°
CAMCALCAQHAL120.7°120.0°
CAMCALCAQCAP57.5°60.0°
CALCAMHAMHAN118.5°120.0°
CALCAMCANHAO75.1°60.0°
CALCAMCANHAP167.2°179.9°
CAMCALCAQHAV62.4°180.0°
CAMCALCAQHAU177.4°60.0°
CAMCALCAGHAG77.8°64.0°
CANCAOCAPHAQ120.2°120.0°
CANCAOCAPHAR120.3°120.1°
CANCAOCAPCAQ50.7°60.0°
CAOCANCAMHAM74.4°60.0°
CAOCANCAMHAN166.6°180.0°
CAOCANHAOHAP116.3°120.0°
CANCAOHAQHAR119.2°120.1°
CANCAOCAPHAS69.8°60.0°
CANCAOCAPHAT171.1°180.0°
CALCAGCAHHAG115.1°121.2°
CAGCALCAQHAL118.0°120.0°
CALCAGCAHOAK32.1°83.2°
CALCAGCAHN153.0°96.8°
CAGCALCAQCAP178.8°180.0°
CAGCALCAMHAM52.6°60.0°
CAGCALCAMHAN66.5°60.1°
CAGCALCAQHAV59.0°60.0°
CAGCALCAQHAU61.3°60.0°
CAHCAGCALCAQ71.6°65.2°
CAGCAHNCAV3.0°13.3°
CAGCAHOAKN174.9°180.0°
CAGCAHNCA174.1°167.0°
CAHCAGCALHAL46.2°54.8°
OCCAN176.3°94.1°
OCCACB55.5°25.3°
OCCAHA63.9°145.7°
CCANCAV78.6°116.7°
CCANCAH93.1°63.6°
CCANCB119.5°119.7°
CCANHA120.9°120.4°
CCACBHA120.9°120.5°
CCACBCAT63.7°172.1°
CCACBHB255.7°68.1°
CCACBHB1176.9°52.3°
CALCAQCAPCAO57.6°60.0°
CALCAQCAPHAV119.9°119.9°
CALCAQCAPHAU119.9°120.0°
CAQCALCAMHAM68.7°60.0°
CAQCALCAMHAN172.2°179.9°
CALCAQCAPHAS62.8°60.0°
CALCAQCAPHAT178.0°180.0°
CALCAQHAVHAU120.4°120.0°
CAQCALCAGHAG45.0°56.0°
NCAVCAUHB7120.5°120.3°
NCAVCAUHB8120.5°120.3°
CAVNCAHOAK171.9°166.7°
CAVNCAHCA171.1°179.7°
CAVNCACB40.9°3.1°
NCAVCAUCAT50.7°41.3°
NCAVHB7HB8118.5°119.5°
NCAVCAUHB569.1°79.5°
NCAVCAUHB6170.5°162.1°
CAVNCAHA160.5°123.0°
CAUCAVNCAH149.4°128.1°
CAUCAVNCA39.6°51.7°
CAVCAUCATHB5119.8°120.7°
CAVCAUCATHB6119.8°120.8°
CAVCAUCATCB69.8°12.4°
CAUCAVHB7HB8118.5°119.5°
CAVCAUHB5HB6120.6°118.5°
CAVCAUCATHB3170.5°108.2°
CAVCAUCATHB449.9°133.1°
OAKCAHNCA0.8°13.1°
OAKCAHCAGHAG147.1°155.6°
CAHNCACB147.4°176.7°
NCAHCAGHAG38.0°24.5°
CAHNCAVHB728.9°7.8°
CAHNCAVHB890.2°111.7°
CAHNCAHA27.9°56.8°
NCACBHA119.9°119.9°
NCACBCAT55.5°52.5°
CANCAVHB7160.1°172.0°
CANCAVHB880.9°68.6°
NCACBHB2174.8°172.3°
NCACBHB163.9°67.2°
CACBCATCAU70.4°61.2°
CACBCATHB2119.4°119.8°
CACBCATHB1119.4°119.9°
CACBCATHB3169.9°59.5°
CACBCATHB449.2°178.1°
CACBHB2HB1121.8°120.5°
CAOCAPCAQHAS120.4°120.0°
CAOCAPCAQHAT120.4°119.9°
CAPCAOCANHAO76.0°60.0°
CAPCAOCANHAP166.4°179.9°
CAPCAOHAQHAR119.2°120.0°
CAOCAPHASHAT118.6°120.0°
CAOCAPCAQHAV62.3°180.0°
CAOCAPCAQHAU177.5°60.0°
CAUCATCBHB3119.7°120.7°
CAUCATCBHB4119.7°120.7°
CATCAUCAVHB7171.2°161.6°
CATCAUCAVHB869.8°79.0°
CATCAUHB5HB6120.6°118.5°
CAUCATHB3HB4120.9°118.7°
CAUCATCBHB2170.2°179.1°
CAUCATCBHB148.9°58.7°
CBCATCAUHB550.0°133.2°
CBCATCAUHB6170.5°108.4°
CBCATHB3HB4120.9°118.7°
CATCBHB2HB1121.8°120.3°
CATCBCAHA175.4°67.4°
CAQCAPCAOHAQ170.9°180.0°
CAQCAPCAOHAR69.6°60.0°
CAQCAPHASHAT118.7°120.0°
CAPCAQHAVHAU120.4°120.1°
CAPCAQCALHAL63.2°60.0°
HAMCAMCANHAO164.4°179.9°
HAMCAMCANHAP46.8°60.1°
HAMCAMCALHAL171.3°179.9°
HANCAMCANHAO45.4°60.0°
HANCAMCANHAP72.3°60.0°
HANCAMCALHAL52.3°60.0°
HAOCANCAOHAQ44.3°60.0°
HAOCANCAOHAR163.7°180.0°
HAPCANCAOHAQ73.4°60.0°
HAPCANCAOHAR46.1°60.0°
HAQCAOCAPHAS50.4°60.0°
HAQCAOCAPHAT68.7°60.0°
HARCAOCAPHAS169.9°179.9°
HARCAOCAPHAT50.8°59.9°
HASCAPCAQHAV177.3°60.0°
HASCAPCAQHAU57.0°180.0°
HATCAPCAQHAV58.2°60.1°
HATCAPCAQHAU62.1°60.0°
HAVCAQCALHAL176.9°60.0°
HAUCAQCALHAL56.7°180.0°
HALCALCAGHAG162.8°176.0°
HB7CAVCAUHB551.4°40.8°
HB7CAVCAUHB669.0°77.6°
HB8CAVCAUHB5170.4°160.2°
HB8CAVCAUHB650.0°41.8°
HB5CAUCATHB369.7°12.6°
HB5CAUCATHB4169.7°106.1°
HB6CAUCATHB350.8°131.0°
HB6CAUCATHB469.8°12.3°
HB3CATCBHB250.5°60.3°
HB3CATCBHB170.8°179.4°
HB4CATCBHB270.1°58.4°
HB4CATCBHB1168.6°62.0°
HB2CBCAHA65.2°52.4°
HB1CBCAHA56.0°172.8°
HB9CAZCBAHCA70.6°122.8°
HB9CAZCBAHBA170.3°117.4°
HAZCAZCBAHCA48.1°2.8°
HAZCAZCBAHBA71.1°122.6°
HCACBACBBHCB172.5°179.1°
HCACBACBBHBB65.2°59.3°
HBACBACBBHCB53.3°61.0°
HBACBACBBHBB175.6°179.1°
HCBCBBCBCHCC119.4°36.7°
HCBCBBCBCHBC121.5°156.7°
HBBCBBCBCHCC2.9°83.2°
HBBCBBCBCHBC116.1°36.7°
HCCCBCCBEHCE121.1°179.4°
HCCCBCCBEHBE1.6°59.7°
HBCCBCCBEHCE119.8°60.6°
HBCCBCCBEHBE120.7°179.6°
HCECBECBDHCD123.4°167.7°
HCECBECBDHBD116.7°71.6°
HBECBECBDHCD3.9°48.1°
HBECBECBDHBD123.8°168.7°
HCICBIHBIHCH120.0°120.0°
HCGCBGHBGHCF120.0°120.0°

251801

PDB entries from 2026-04-08

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