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J7V

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.32Å1.35ÅAromatic
N1C6sing1.33Å1.36ÅAromatic
C2N3sing1.32Å1.34ÅAromatic
N3C4doub1.33Å1.36ÅAromatic
C4C5sing1.41Å1.39ÅAromatic
C4N9sing1.37Å1.34ÅAromatic
C5C6doub1.41Å1.39ÅAromatic
C5N7sing1.35Å1.35ÅAromatic
C6N6sing1.38Å1.35Å
N7C8doub1.30Å1.35ÅAromatic
C8N9sing1.36Å1.34ÅAromatic
N9CBOsing1.47Å1.48Å
CAACARsing1.53Å1.52Å
CABCASsing1.53Å1.52Å
OADCBCdoub1.22Å1.22Å
OAECBGdoub1.22Å1.25Å
OAFPBRsing1.61Å1.51Å
OAGPBSsing1.61Å1.51Å
OAHCBLsing1.43Å1.43Å
OAIPBRdoub1.48Å1.51Å
OAJPBRsing1.61Å1.51Å
OAKPBSdoub1.48Å1.51Å
CAMCANdoub1.36Å1.40ÅAromatic
CAMCBEsing1.40Å1.40ÅAromatic
CANCBHsing1.40Å1.40ÅAromatic
CAPCBEdoub1.39Å1.40ÅAromatic
CAPCBIsing1.38Å1.40ÅAromatic
CAQCBFdoub1.39Å1.39Å
CAQCBHsing1.41Å1.39Å
CARNBPsing1.47Å1.47Å
CASNBPsing1.47Å1.47Å
CATOAYsing1.43Å1.43Å
CATCBMsing1.53Å1.53Å
NAXCBCsing1.35Å1.34Å
NAXCBNsing1.46Å1.46Å
OAYPBSsing1.61Å1.60Å
OAZCBMsing1.45Å1.43Å
OAZCBOsing1.44Å1.43Å
OBAPBRsing1.61Å1.61Å
OBAPBSsing1.61Å1.60Å
OBBCBGsing1.35Å1.37Å
OBBCBIsing1.35Å1.37Å
CBCCBFsing1.47Å1.51Å
CBENBPsing1.39Å1.41Å
CBFCBGsing1.47Å1.39Å
CBHCBIdoub1.41Å1.40ÅAromatic
CBLCBNsing1.55Å1.52Å
CBLCBOsing1.54Å1.52Å
CBMCBNsing1.54Å1.52Å
C2H2sing1.08Å1.08Å
N6HN6sing0.97Å1.00Å
N6HN6Asing0.97Å1.00Å
C8H8sing1.08Å1.08Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
OAHHOAHsing0.97Å0.95Å
CAMHAMsing1.08Å1.08Å
CANHANsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
CAQHAQsing1.08Å1.08Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
NAXHNAXsing0.97Å1.00Å
CBLHBLsing1.09Å1.10Å
CBMHBMsing1.09Å1.10Å
CBNHBNsing1.09Å1.10Å
CBOHBOsing1.09Å1.10Å
OAGHAGsing0.97Å0.95Å
OAJHAJsing0.97Å0.95Å
OAFHAFsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6120.5°121.2°
N1C2N3121.1°122.5°
N1C2H2119.5°118.8°
N1C6C5119.4°118.5°
N1C6N6120.5°120.8°
C2N3C4120.6°120.6°
N3C2H2119.4°118.7°
N3C4C5119.3°119.1°
N3C4N9133.1°134.9°
C5C4N9107.6°106.0°
C4C5C6119.2°118.2°
C4C5N7107.4°107.2°
C4N9C8108.2°107.5°
C4N9CBO125.7°126.3°
C6C5N7133.4°134.7°
C5C6N6120.1°120.8°
C5N7C8107.5°109.4°
C6N6HN6109.5°120.0°
C6N6HN6A109.5°120.0°
N7C8N9109.2°110.0°
N7C8H8125.4°125.0°
C8N9CBO126.0°126.3°
N9C8H8125.4°125.0°
N9CBOOAZ106.2°110.3°
N9CBOCBL115.2°110.4°
N9CBOHBO107.2°110.4°
CAACARNBP111.5°109.4°
CARCAAHAA109.5°109.4°
CARCAAHAAA109.5°109.5°
CARCAAHAAB109.4°109.5°
CAACARHAR108.8°109.5°
CAACARHARA108.4°109.5°
CABCASNBP112.4°109.4°
CASCABHAB109.5°109.5°
CASCABHABA109.5°109.5°
CASCABHABB109.5°109.5°
CABCASHAS108.5°109.5°
CABCASHASA107.8°109.5°
OADCBCNAX122.8°120.0°
OADCBCCBF118.0°120.0°
OAECBGOBB118.3°121.1°
OAECBGCBF121.4°121.1°
OAFPBROAI114.4°109.5°
OAFPBROAJ116.0°109.5°
OAFPBROBA100.6°109.4°
PBROAFHAF109.5°114.0°
OAGPBSOAK119.6°109.5°
OAGPBSOAY108.0°109.5°
OAGPBSOBA105.2°109.5°
PBSOAGHAG109.5°114.0°
OAHCBLCBN111.6°110.5°
OAHCBLCBO109.7°110.5°
CBLOAHHOAH109.5°114.0°
OAHCBLHBL106.6°110.5°
OAIPBROAJ113.3°109.5°
OAIPBROBA105.2°109.5°
OAJPBROBA105.5°109.5°
PBROAJHAJ109.5°114.0°
OAKPBSOAY106.3°109.5°
OAKPBSOBA108.7°109.5°
CANCAMCBE120.5°120.4°
CAMCANCBH119.6°119.9°
CANCAMHAM119.7°119.8°
CAMCANHAN120.2°120.0°
CAMCBECAP119.5°120.4°
CAMCBENBP120.3°119.8°
CBECAMHAM119.7°119.8°
CANCBHCAQ120.2°120.4°
CANCBHCBI120.3°119.8°
CBHCANHAN120.2°120.1°
CBECAPCBI120.1°119.9°
CAPCBENBP120.3°119.8°
CBECAPHAP119.9°120.0°
CAPCBIOBB120.1°120.2°
CAPCBICBH120.1°119.5°
CBICAPHAP120.0°120.1°
CBFCAQCBH120.3°117.9°
CAQCBFCBC118.6°121.4°
CAQCBFCBG119.0°117.2°
CBFCAQHAQ119.9°121.0°
CAQCBHCBI119.5°119.8°
CBHCAQHAQ119.8°121.1°
CARNBPCAS119.8°120.1°
CARNBPCBE120.3°120.0°
NBPCARHAR108.8°109.4°
NBPCARHARA108.4°109.4°
CASNBPCBE119.9°120.0°
NBPCASHAS108.5°109.4°
NBPCASHASA107.9°109.5°
OAYCATCBM111.6°109.5°
CATOAYPBS117.0°123.0°
OAYCATHAT108.8°109.5°
OAYCATHATA108.3°109.5°
CATCBMOAZ111.4°110.3°
CATCBMCBN112.2°110.4°
CBMCATHAT108.8°109.5°
CBMCATHATA108.3°109.4°
CATCBMHBM105.7°110.4°
CBCNAXCBN125.8°120.0°
NAXCBCCBF119.2°120.0°
CBCNAXHNAX117.1°119.9°
NAXCBNCBL107.1°110.6°
NAXCBNCBM104.7°110.5°
CBNNAXHNAX117.1°120.1°
NAXCBNHBN112.5°110.5°
OAYPBSOBA108.7°109.4°
CBMOAZCBO111.3°105.2°
OAZCBMCBN107.7°104.8°
OAZCBMHBM110.4°110.4°
OAZCBOCBL107.0°104.8°
OAZCBOHBO115.3°110.4°
PBROBAPBS126.8°134.0°
CBGOBBCBI120.9°116.4°
OBBCBGCBF120.4°117.8°
OBBCBICBH119.8°120.3°
CBCCBFCBG122.4°121.4°
CBNCBLCBO105.3°104.1°
CBLCBNCBM104.6°104.1°
CBNCBLHBL110.9°110.5°
CBLCBNHBN112.6°110.5°
CBOCBLHBL112.8°110.5°
CBLCBOHBO106.3°110.4°
CBNCBMHBM109.5°110.4°
CBMCBNHBN114.7°110.5°
HN6N6HN6A109.5°120.1°
HAACAAHAAA109.5°109.4°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.5°109.5°
HABCABHABA109.5°109.5°
HABCABHABB109.4°109.4°
HABACABHABB109.5°109.4°
HARCARHARA111.0°109.5°
HASCASHASA111.8°109.5°
HATCATHATA111.1°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N3H2180.0°179.9°
N1C2N3C40.1°0.2°
C2N1C6C50.4°0.1°
C2N1C6N6179.8°180.0°
C6N1C2N30.3°0.1°
N1C6C5C40.2°0.3°
N1C6C5N6179.8°179.9°
N1C6C5N7179.6°180.0°
C6N1C2H2179.7°180.0°
N1C6N6HN6173.2°179.9°
N1C6N6HN6A66.8°0.0°
C2N3C4C50.0°0.5°
C2N3C4N9179.6°179.5°
N3C4C5N9179.7°179.2°
N3C4C5C60.1°0.6°
N3C4C5N7179.8°179.7°
N3C4N9C8179.7°179.5°
N3C4N9CBO2.2°0.8°
C4N3C2H2179.8°179.7°
C4C5C6N7179.8°179.7°
C4C5C6N6180.0°179.7°
C4C5N7C80.5°0.3°
C5C4N9C80.7°0.4°
C5C4N9CBO178.2°179.9°
N9C4C5C6179.7°179.8°
N9C4C5N70.1°0.4°
C4N9C8N71.0°0.3°
C4N9C8CBO177.4°179.7°
C4N9CBOOAZ113.0°156.8°
C4N9CBOCBL128.8°87.8°
C4N9C8H8179.0°179.8°
C4N9CBOHBO10.8°34.5°
C6C5N7C8179.7°180.0°
C5C6N6HN67.0°0.0°
C5C6N6HN6A113.0°180.0°
N7C5C6N60.2°0.0°
C5N7C8N90.9°0.0°
C5N7C8H8179.1°180.0°
C6N6HN6HN6A120.0°180.0°
N7C8N9H8180.0°179.9°
N7C8N9CBO178.5°180.0°
C8N9CBOOAZ64.1°23.6°
C8N9CBOCBL54.2°91.8°
C8N9CBOHBO172.2°145.9°
N9CBOCBLOAH103.8°98.5°
N9CBOOAZCBM132.3°159.3°
N9CBOOAZCBL123.6°118.8°
N9CBOOAZHBO118.5°122.3°
N9CBOCBLCBN135.9°142.8°
N9CBOCBLHBO118.5°122.3°
CBON9C8H81.5°0.1°
N9CBOCBLHBL14.8°24.2°
CAACARNBPHAR120.0°120.0°
CAACARNBPHARA119.2°120.0°
CAACARNBPCAS92.4°90.0°
CAACARNBPCBE87.0°90.0°
CARCAAHAAHAAA120.0°119.9°
CARCAAHAAHAAB120.0°120.0°
CARCAAHAAAHAAB120.0°120.1°
CAACARHARHARA119.2°120.1°
CABCASNBPCAR100.8°90.0°
CABCASNBPHAS120.0°120.0°
CABCASNBPHASA118.7°120.0°
CABCASNBPCBE79.8°90.0°
CASCABHABHABA120.0°120.1°
CASCABHABHABB120.0°120.0°
CASCABHABAHABB120.0°120.0°
CABCASHASHASA118.8°120.0°
OADCBCCBFCAQ5.8°0.1°
OADCBCNAXCBF178.4°179.9°
OADCBCNAXCBN1.3°0.0°
OADCBCCBFCBG175.1°180.0°
OADCBCNAXHNAX178.7°180.0°
OAECBGCBFCAQ179.9°153.6°
OAECBGOBBCBF179.9°180.0°
OAECBGOBBCBI180.0°140.7°
OAECBGCBFCBC0.8°26.3°
OAFPBROAIOAJ135.9°120.0°
OAFPBROAIOBA109.4°120.0°
OAFPBROAJOBA110.3°119.9°
OAFPBROBAPBS165.9°75.1°
OAFPBROAJHAJ123.0°60.0°
OAGPBSOAKOAY122.4°120.0°
OAGPBSOAKOBA120.7°120.0°
OAGPBSOAYCAT55.3°65.0°
OAGPBSOAYOBA113.6°120.0°
OAGPBSOBAPBR132.6°75.0°
OAHCBLCBNNAX28.5°0.0°
OAHCBLCBOOAZ138.4°142.7°
OAHCBLCBNCBO119.0°118.7°
OAHCBLCBNHBL118.7°122.7°
OAHCBLCBOHBL118.6°122.7°
OAHCBLCBNCBM139.2°118.7°
OAHCBLCBNHBN95.7°122.7°
OAHCBLCBOHBO14.7°23.8°
OAIPBROAJOBA114.5°120.0°
OAIPBROBAPBS75.0°44.9°
OAIPBROAJHAJ101.8°60.0°
OAIPBROAFHAF35.9°180.0°
OAJPBROBAPBS44.9°165.0°
OAJPBROAFHAF170.5°59.9°
OAKPBSOAYCAT74.3°55.0°
OAKPBSOAYOBA116.8°120.0°
OAKPBSOBAPBR98.2°45.1°
OAKPBSOAGHAG139.3°180.0°
CANCAMCBEHAM180.0°179.7°
CAMCANCBHHAN180.0°180.0°
CANCAMCBECAP0.2°0.7°
CAMCANCBHCAQ180.0°178.2°
CANCAMCBENBP179.8°179.3°
CAMCANCBHCBI0.0°2.3°
CBECAMCANCBH0.2°0.6°
CAMCBECAPNBP179.6°180.0°
CAMCBECAPCBI0.0°0.4°
CAMCBENBPCAR84.2°0.0°
CAMCBENBPCAS95.2°180.0°
CBECAMCANHAN179.8°179.4°
CAMCBECAPHAP180.0°179.5°
CANCBHCBICAP0.2°2.6°
CANCBHCAQCBF180.0°170.3°
CANCBHCAQCBI180.0°179.6°
CANCBHCBIOBB179.9°177.0°
CBHCANCAMHAM179.8°179.7°
CANCBHCAQHAQ0.1°9.8°
CBECAPCBIHAP180.0°179.9°
CAPCBENBPCAR96.2°180.0°
CAPCBENBPCAS84.4°0.0°
CBECAPCBIOBB179.9°178.3°
CBECAPCBICBH0.2°1.3°
CAPCBECAMHAM179.8°179.0°
CAPCBICBHCAQ179.8°177.8°
CAPCBIOBBCBG179.8°152.8°
CAPCBIOBBCBH179.9°179.6°
CBICAPCBENBP179.6°179.6°
CBFCAQCBHHAQ180.0°180.0°
CAQCBFCBCNAX172.7°180.0°
CAQCBFCBGOBB0.2°26.4°
CAQCBFCBCCBG179.1°179.9°
CBFCAQCBHCBI0.0°10.1°
CAQCBHCBIOBB0.1°2.6°
CBHCAQCBFCBC179.3°178.6°
CBHCAQCBFCBG0.2°1.4°
CAQCBHCANHAN0.0°1.9°
CARNBPCASCBE179.4°180.0°
NBPCARCAAHAA14.6°180.0°
NBPCARCAAHAAA105.4°60.1°
NBPCARCAAHAAB134.6°60.0°
NBPCARHARHARA119.2°120.0°
CARNBPCASHAS19.2°30.0°
CARNBPCASHASA140.5°150.0°
NBPCASCABHAB46.7°60.0°
NBPCASCABHABA73.4°60.1°
NBPCASCABHABB166.6°180.0°
CASNBPCARHAR27.6°30.0°
CASNBPCARHARA148.4°150.0°
NBPCASHASHASA118.8°120.0°
OAYCATCBMHAT120.0°120.0°
OAYCATCBMHATA119.1°120.0°
OAYCATCBMOAZ86.2°69.6°
CATOAYPBSOBA168.9°175.0°
OAYCATCBMCBN34.6°175.0°
OAYCATHATHATA119.2°120.0°
OAYCATCBMHBM153.8°52.7°
CATCBMCBNNAX140.1°98.5°
CBMCATOAYPBS161.1°180.0°
CATCBMOAZCBN123.5°118.8°
CATCBMOAZHBM117.1°122.3°
CATCBMOAZCBO119.0°159.4°
CATCBMCBNCBL107.4°142.8°
CATCBMCBNHBM117.0°122.3°
CBMCATHATHATA119.1°120.0°
CATCBMCBNHBN16.4°24.1°
CBCNAXCBNHNAX180.0°180.0°
NAXCBCCBFCBG6.4°0.1°
CBCNAXCBNCBL177.6°90.3°
CBCNAXCBNCBM66.9°155.0°
CBCNAXCBNHBN58.2°32.4°
NAXCBNCBMOAZ97.0°142.8°
CBNNAXCBCCBF179.7°180.0°
NAXCBNCBLCBM110.8°118.7°
NAXCBNCBLHBN124.1°122.7°
NAXCBNCBLCBO90.6°118.7°
NAXCBNCBMHBN123.7°122.6°
NAXCBNCBLHBL147.1°122.7°
NAXCBNCBMHBM23.1°23.8°
OAYPBSOBAPBR17.2°165.0°
PBSOAYCATHAT78.9°59.9°
PBSOAYCATHATA41.9°60.0°
OAYPBSOAGHAG99.1°60.0°
OAZCBMCBNCBL15.5°24.0°
CBMOAZCBOCBL8.7°40.5°
OAZCBMCBNHBM120.1°118.9°
OAZCBMCATHAT153.7°50.4°
OAZCBMCATHATA32.9°170.4°
OAZCBMCBNHBN139.3°94.7°
CBMOAZCBOHBO109.3°78.3°
OAZCBOCBLCBN18.1°24.0°
OAZCBOCBLHBO123.7°118.9°
CBOOAZCBMCBN4.4°40.5°
OAZCBOCBLHBL102.9°94.7°
CBOOAZCBMHBM123.9°78.3°
OBAPBROAJHAJ12.7°180.0°
OBAPBROAFHAF76.3°60.0°
OBAPBSOAGHAG16.9°60.0°
OBBCBGCBFCBC179.3°153.7°
CBGOBBCBICBH0.1°27.6°
CBIOBBCBGCBF0.1°39.3°
OBBCBICAPHAP0.1°1.6°
CBCCBFCAQHAQ0.7°1.3°
CBFCBCNAXHNAX0.3°0.0°
NBPCBECAMHAM0.2°1.0°
NBPCBECAPHAP0.4°0.5°
CBENBPCARHAR153.0°150.0°
CBENBPCARHARA32.2°29.9°
CBENBPCASHAS160.2°150.0°
CBENBPCASHASA38.9°30.0°
CBGCBFCAQHAQ179.8°178.6°
CBICBHCANHAN180.0°177.7°
CBHCBICAPHAP179.8°178.8°
CBICBHCAQHAQ180.0°169.8°
CBNCBLCBOHBL121.1°118.6°
CBLCBNCBMHBN123.8°118.7°
CBNCBLOAHHOAH105.4°180.0°
CBLCBNNAXHNAX2.4°89.7°
CBLCBNCBMHBM135.6°94.9°
CBNCBLCBOHBO105.6°94.9°
CBOCBLCBNCBM20.2°0.0°
CBOCBLOAHHOAH11.0°65.3°
CBOCBLCBNHBN145.3°118.7°
CBNCBMCATHAT85.5°65.0°
CBNCBMCATHATA153.7°55.0°
CBMCBNNAXHNAX113.1°25.0°
CBMCBNCBLHBL102.1°118.6°
HAACAAHAAAHAAB120.0°120.0°
HAACAACARHAR105.4°60.0°
HAACAACARHARA133.8°60.1°
HAAACAACARHAR134.6°59.9°
HAAACAACARHARA13.7°180.0°
HAABCAACARHAR14.6°180.0°
HAABCAACARHARA106.3°59.9°
HABCABHABAHABB120.0°120.0°
HABCABCASHAS73.3°59.9°
HABCABCASHASA165.4°180.0°
HABACABCASHAS166.6°180.0°
HABACABCASHASA45.4°60.0°
HABBCABCASHAS46.6°60.1°
HABBCABCASHASA74.6°60.0°
HOAHOAHCBLHBL133.4°57.3°
HAMCAMCANHAN0.2°0.3°
HATCATCBMHBM33.8°172.7°
HATACATCBMHBM87.0°67.3°
HNAXNAXCBNHBN121.8°147.6°
HBLCBLCBNHBN23.0°0.0°
HBLCBLCBOHBO133.3°146.5°
HBMCBMCBNHBN100.6°146.4°

220472

PDB entries from 2024-05-29

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