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OV6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O7C7doub1.21Å1.23Å
C8C7sing1.51Å1.53Å
NBDNBEdoub1.29Å1.24ÅAromatic
NBDNBCsing1.29Å1.28ÅAromatic
C7N2sing1.35Å1.33Å
CBFNBCsing1.46Å1.48Å
NBECBAsing1.34Å1.33ÅAromatic
NBCCBBsing1.35Å1.33ÅAromatic
O3C3sing1.43Å1.42Å
OAVCARsing1.43Å1.48Å
C3C2sing1.53Å1.51Å
C3C4sing1.53Å1.52Å
CBACBBdoub1.35Å1.32ÅAromatic
CBACAZsing1.51Å1.52Å
N2C2sing1.46Å1.48Å
OAXCAZsing1.43Å1.43Å
OAXCAQsing1.43Å1.43Å
O4CAUsing1.43Å1.43Å
O4C4sing1.43Å1.43Å
CAPOANsing1.43Å1.44Å
CAPCAQsing1.53Å1.52Å
CAPCAUsing1.53Å1.52Å
OATCAUsing1.43Å1.44Å
OATCASsing1.43Å1.44Å
CARCAQsing1.53Å1.51Å
CARCASsing1.53Å1.53Å
C2C1sing1.53Å1.54Å
C4C5sing1.53Å1.53Å
CAOCASsing1.53Å1.49Å
CAOOAWsing1.43Å1.45Å
C1O1sing1.43Å1.48Å
C1O5sing1.43Å1.44Å
C5O5sing1.43Å1.46Å
C5C6sing1.53Å1.53Å
O1CAFsing1.43Å1.49Å
C6O6sing1.43Å1.44Å
CAYCAMsing1.53Å1.49Å
CAFCAMsing1.53Å1.53Å
C4H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C6H61sing1.09Å1.10Å
C8H83sing1.09Å1.10Å
C8H81sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
N2H22sing0.97Å1.00Å
C3H31sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C2H21sing1.09Å1.10Å
CAFHAFsing1.09Å1.10Å
CAFH63sing1.09Å1.10Å
CAMH2sing1.09Å1.10Å
CAMHAMsing1.09Å1.10Å
CAOH64sing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAPHAPsing1.09Å1.10Å
CAQHAQsing1.09Å1.10Å
CARHARsing1.09Å1.10Å
CASHASsing1.09Å1.10Å
CAUHAUsing1.09Å1.10Å
CAYH3sing1.09Å1.10Å
CAYH65sing1.09Å1.10Å
CAYHAYsing1.09Å1.10Å
CAZH66sing1.09Å1.10Å
CAZHAZsing1.09Å1.10Å
CBBHBBsing1.08Å1.08Å
CBFHBFsing1.09Å1.10Å
CBFH67sing1.09Å1.10Å
CBFH68sing1.09Å1.10Å
O3H32sing0.97Å0.95Å
O6H69sing0.97Å0.95Å
OANHANsing0.97Å0.95Å
OAVHAVsing0.97Å0.95Å
OAWHAWsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O7C7C8122.1°119.9°
O7C7N2125.2°120.0°
C8C7N2112.7°120.0°
C7C8H83109.5°109.5°
C7C8H81109.4°109.5°
C7C8H82109.5°109.5°
NBENBDNBC110.9°110.1°
NBDNBECBA107.5°108.9°
NBDNBCCBF125.4°125.8°
NBDNBCCBB108.6°108.3°
C7N2C2124.8°120.0°
C7N2H22117.6°120.0°
CBFNBCCBB126.0°125.9°
NBCCBFHBF109.5°109.5°
NBCCBFH67109.4°109.5°
NBCCBFH68109.4°109.5°
NBECBACBB108.8°106.5°
NBECBACAZ125.8°126.7°
NBCCBBCBA104.3°106.2°
NBCCBBHBB127.9°126.9°
O3C3C2109.4°109.6°
O3C3C4108.7°109.5°
O3C3H31112.3°109.6°
C3O3H32109.5°113.9°
OAVCARCAQ108.9°109.5°
OAVCARCAS109.4°109.6°
OAVCARHAR109.8°109.5°
CAROAVHAV109.5°114.0°
C2C3C4104.5°109.0°
C3C2N2116.6°109.5°
C3C2C1112.6°109.2°
C2C3H31110.9°109.6°
C3C2H21106.6°109.5°
C3C4O4109.6°109.6°
C3C4C5109.4°109.2°
C3C4H4108.6°109.5°
C4C3H31110.8°109.5°
CBBCBACAZ125.4°126.8°
CBACBBHBB127.9°127.0°
CBACAZOAX105.9°109.5°
CBACAZH66110.4°109.5°
CBACAZHAZ110.3°109.5°
N2C2C1107.0°109.6°
C2N2H22117.6°120.0°
N2C2H21107.0°109.5°
CAZOAXCAQ111.8°114.0°
OAXCAZH66110.3°109.4°
OAXCAZHAZ110.4°109.4°
OAXCAQCAP108.6°109.6°
OAXCAQCAR109.9°109.6°
OAXCAQHAQ110.8°109.6°
CAUO4C4111.4°113.9°
O4CAUCAP107.5°109.4°
O4CAUOAT109.5°109.5°
O4CAUHAU109.9°109.5°
O4C4C5110.9°109.5°
O4C4H4109.9°109.5°
OANCAPCAQ110.2°109.5°
OANCAPCAU109.1°109.6°
OANCAPHAP109.9°109.5°
CAPOANHAN109.5°114.0°
CAQCAPCAU110.2°109.2°
CAPCAQCAR108.2°109.0°
CAQCAPHAP108.7°109.5°
CAPCAQHAQ109.5°109.5°
CAPCAUOAT111.5°109.4°
CAUCAPHAP108.7°109.6°
CAPCAUHAU108.7°109.4°
CAUOATCAS109.0°114.1°
OATCAUHAU109.7°109.5°
OATCASCAR110.2°109.4°
OATCASCAO113.2°109.5°
OATCASHAS110.0°109.5°
CAQCARCAS110.3°109.2°
CARCAQHAQ109.7°109.6°
CAQCARHAR109.4°109.5°
CARCASCAO105.0°109.5°
CASCARHAR109.1°109.5°
CARCASHAS108.9°109.5°
C2C1O1100.7°109.5°
C2C1O5108.4°109.5°
C2C1H1107.7°109.5°
C1C2H21106.3°109.6°
C4C5O5110.3°109.4°
C4C5C6111.4°109.5°
C5C4H4108.5°109.5°
C4C5H5109.8°109.5°
CASCAOOAW102.2°109.5°
CASCAOH64111.3°109.5°
CASCAOHAO111.3°109.5°
CAOCASHAS109.3°109.5°
OAWCAOH64111.3°109.5°
OAWCAOHAO111.3°109.4°
CAOOAWHAW109.5°114.0°
O1C1O5121.7°109.5°
C1O1CAF118.2°114.0°
O1C1H1108.5°109.5°
C1O5C5116.1°114.1°
O5C1H1109.0°109.5°
O5C5C6104.8°109.5°
O5C5H5110.8°109.5°
C5C6O6110.4°109.5°
C6C5H5109.7°109.5°
C5C6H62109.2°109.5°
C5C6H61109.2°109.5°
O1CAFCAM122.4°109.5°
O1CAFHAF106.1°109.4°
O1CAFH63106.2°109.4°
O6C6H62109.2°109.4°
O6C6H61109.3°109.5°
C6O6H69109.5°114.0°
CAYCAMCAF128.9°109.5°
CAYCAMH2104.4°109.4°
CAYCAMHAM104.4°109.5°
CAMCAYH3109.5°109.5°
CAMCAYH65109.5°109.5°
CAMCAYHAY109.5°109.5°
CAMCAFHAF106.2°109.5°
CAMCAFH63106.1°109.5°
CAFCAMH2104.4°109.5°
CAFCAMHAM104.4°109.5°
H62C6H61109.5°109.4°
H83C8H81109.5°109.5°
H83C8H82109.5°109.5°
H81C8H82109.5°109.4°
HAFCAFH63109.5°109.5°
H2CAMHAM109.5°109.4°
H64CAOHAO109.4°109.5°
H3CAYH65109.5°109.5°
H3CAYHAY109.5°109.5°
H65CAYHAY109.5°109.4°
H66CAZHAZ109.5°109.5°
HBFCBFH67109.5°109.4°
HBFCBFH68109.5°109.5°
H67CBFH68109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O7C7C8N2178.6°180.0°
O7C7N2C23.6°0.0°
O7C7C8H830.0°180.0°
O7C7C8H81120.0°60.0°
O7C7C8H82120.0°60.0°
O7C7N2H22176.5°180.0°
C8C7N2C2177.9°180.0°
C7C8H83H81120.0°120.0°
C7C8H83H82120.0°120.0°
C7C8H81H82120.0°120.0°
C8C7N2H222.0°0.0°
NBENBDNBCCBF180.0°179.7°
NBENBDNBCCBB0.0°0.2°
NBDNBECBACBB0.7°0.4°
NBDNBECBACAZ178.8°179.8°
NBDNBCCBFCBB179.9°179.9°
NBCNBDNBECBA0.4°0.4°
NBDNBCCBBCBA0.4°0.0°
NBDNBCCBBHBB179.7°180.0°
NBDNBCCBFHBF0.0°90.0°
NBDNBCCBFH67120.0°30.0°
NBDNBCCBFH68120.0°150.0°
C7N2C2C344.2°155.0°
C7N2C2H22180.0°180.0°
C7N2C2C182.9°85.3°
N2C7C8H83178.6°0.0°
N2C7C8H8161.4°120.0°
N2C7C8H8258.6°120.0°
C7N2C2H21163.5°35.0°
CBFNBCCBBCBA179.6°180.0°
CBFNBCCBBHBB0.4°0.1°
NBCCBFHBFH67120.0°120.1°
NBCCBFHBFH68120.0°120.0°
NBCCBFH67H68120.0°120.0°
NBECBACBBNBC0.6°0.3°
NBECBACBBCAZ178.2°179.8°
NBECBACAZOAX98.4°179.7°
NBECBACAZH66142.1°60.3°
NBECBACAZHAZ21.0°59.7°
NBECBACBBHBB179.4°179.8°
NBCCBBCBAHBB180.0°180.0°
NBCCBBCBACAZ178.8°180.0°
CBBNBCCBFHBF179.9°90.0°
CBBNBCCBFH6759.9°150.0°
CBBNBCCBFH6860.0°30.0°
O3C3C2C4116.2°119.9°
O3C3C2H31124.4°120.3°
O3C3C4H31123.8°120.2°
O3C3C2N256.8°63.2°
O3C3C4O458.9°63.2°
O3C3C2C1178.8°176.8°
O3C3C4C5179.3°176.8°
O3C3C4H461.1°57.0°
O3C3C2H2162.6°56.9°
OAVCARCAQOAX54.3°57.0°
OAVCARCAQCAP64.2°63.0°
OAVCARCASOAT59.0°62.3°
OAVCARCAQCAS120.1°120.0°
OAVCARCAQHAR120.0°120.2°
OAVCARCASHAR120.1°120.2°
OAVCARCASCAO63.2°57.7°
OAVCARCAQHAQ176.3°177.2°
OAVCARCASHAS179.8°177.7°
C2C3C4H31119.5°119.8°
C3C2N2C1127.1°119.7°
C3C2N2H21119.3°120.0°
C2C3C4O4175.7°176.9°
C3C2C1H21116.4°119.9°
C2C3C4C562.6°56.9°
C3C2C1O1174.6°177.6°
C3C2C1O556.6°57.6°
C2C3C4H455.6°63.0°
C3C2N2H22135.8°25.0°
C3C2C1H161.1°62.4°
C2C3O3H32180.0°60.0°
C4C3C2N2173.1°176.9°
C3C4O4CAU128.8°122.6°
C3C4O4C5120.8°119.7°
C3C4O4H4119.2°120.1°
C4C3C2C162.6°56.9°
C3C4C5H4118.3°119.9°
C3C4C5O559.3°57.6°
C3C4C5C6175.3°177.6°
C3C4C5H563.1°62.4°
C4C3C2H2153.6°63.0°
C4C3O3H3266.5°179.5°
CBBCBACAZOAX79.4°0.0°
CBBCBACAZH6640.0°120.0°
CBBCBACAZHAZ161.1°120.0°
CBACAZOAXH66119.5°120.0°
CBACAZOAXHAZ119.4°120.0°
CBACAZOAXCAQ173.0°180.0°
CBACAZH66HAZ121.7°120.1°
CAZCBACBBHBB1.2°0.0°
N2C2C1H21114.1°120.2°
N2C2C1O145.2°62.5°
N2C2C1O5173.9°177.5°
N2C2C3H3167.5°57.1°
N2C2C1H168.3°57.5°
CAZOAXCAQCAP168.0°90.0°
CAZOAXCAQCAR73.8°150.4°
CAZOAXCAQHAQ47.6°30.2°
OAXCAZH66HAZ121.7°119.9°
OAXCAQCAPOAN65.6°63.1°
OAXCAQCAPCAR119.3°120.0°
OAXCAQCAPHAQ121.1°120.2°
OAXCAQCAPCAU173.9°176.9°
OAXCAQCARHAQ122.1°120.3°
OAXCAQCARCAS174.3°176.9°
OAXCAQCAPHAP54.9°56.9°
OAXCAQCARHAR65.7°63.2°
CAQOAXCAZH6653.6°60.0°
CAQOAXCAZHAZ67.6°60.0°
O4CAUCAPOAN60.4°62.5°
O4CAUCAPCAQ178.4°177.6°
O4CAUCAPOAT120.0°120.0°
O4CAUCAPHAU119.0°120.0°
O4CAUOATHAU120.7°120.1°
O4CAUOATCAS179.7°178.9°
CAUO4C4C5110.3°117.7°
CAUO4C4H49.6°2.5°
O4CAUCAPHAP59.4°57.7°
C4O4CAUCAP169.7°174.7°
C4O4CAUOAT69.1°65.3°
O4C4C5H4120.8°120.2°
O4C4C5O5179.8°177.5°
O4C4C5C663.8°62.4°
O4C4C5H557.9°57.6°
O4C4C3H3164.9°57.1°
C4O4CAUHAU51.5°54.8°
OANCAPCAQCAU120.5°120.0°
OANCAPCAQHAP120.5°120.1°
OANCAPCAUHAP119.8°120.2°
OANCAPCAUOAT179.6°177.5°
OANCAPCAQCAR175.1°176.9°
OANCAPCAQHAQ55.5°57.1°
OANCAPCAUHAU58.5°57.5°
CAQCAPCAUHAP119.1°119.9°
CAQCAPCAUOAT58.4°57.6°
CAPCAQCARHAQ119.5°119.8°
CAPCAQCARCAS55.9°57.0°
CAPCAQCARHAR175.8°176.9°
CAQCAPCAUHAU62.6°62.4°
CAQCAPOANHAN180.0°180.0°
CAPCAUOATHAU120.4°119.9°
CAPCAUOATCAS61.5°61.2°
CAUCAPCAQCAR54.6°56.9°
CAUCAPCAQHAQ65.0°62.9°
CAUCAPOANHAN58.9°60.3°
CAUOATCASCAR62.0°61.2°
CAUOATCASCAO179.3°178.8°
OATCAUCAPHAP60.6°62.3°
CAUOATCASHAS58.1°58.8°
OATCASCARCAQ60.7°57.6°
OATCASCARCAO122.2°120.0°
OATCASCARHAS120.8°120.0°
OATCASCAOHAS123.1°120.0°
OATCASCAOOAW62.9°65.1°
OATCASCAOH64178.3°174.9°
OATCASCAOHAO56.0°54.9°
OATCASCARHAR179.1°177.5°
CASOATCAUHAU59.0°58.8°
CAQCARCASHAR120.1°119.9°
CAQCARCASCAO177.0°177.6°
CARCAQCAPHAP64.4°63.0°
CAQCARCASHAS60.1°62.4°
CAQCAROAVHAV180.0°180.0°
CARCASCAOHAS116.7°120.1°
CARCASCAOOAW176.8°175.0°
CARCASCAOH6458.0°55.0°
CARCASCAOHAO64.3°65.0°
CASCARCAQHAQ63.6°62.8°
CASCAROAVHAV59.4°60.3°
C2C1O1O5119.6°120.0°
C2C1O1H1112.9°120.0°
C2C1O5H1116.9°120.0°
C2C1O5C551.4°61.1°
C2C1O1CAF102.2°175.0°
C1C2N2H2297.0°94.7°
C1C2C3H3156.8°62.9°
C4C5O5C154.4°61.1°
C4C5O5C6120.0°120.0°
C4C5O5H5121.8°120.0°
C4C5C6H5121.7°120.0°
C4C5C6O673.8°174.9°
C4C5C6H62166.1°54.9°
C4C5C6H6146.3°65.1°
C5C4C3H3156.9°62.9°
CASCAOOAWH64118.8°120.0°
CASCAOOAWHAO118.9°120.0°
CASCAOH64HAO123.4°120.0°
CAOCASCARHAR56.9°62.5°
CASCAOOAWHAW180.0°179.9°
OAWCAOH64HAO123.4°120.0°
OAWCAOCASHAS60.2°55.0°
O1C1O5H1127.3°120.0°
O1C1O5C5167.2°178.9°
C1O1CAFCAM83.0°180.0°
O1C1C2H2168.9°57.7°
C1O1CAFHAF155.2°60.0°
C1O1CAFH6338.8°60.0°
C1O5C5C6174.4°178.9°
O5C1O1CAF17.4°65.0°
C1O5C5H567.4°58.8°
O5C1C2H2159.8°62.3°
O5C5C6H5119.0°120.0°
O5C5C6O645.5°65.1°
O5C5C4H459.0°62.3°
O5C5C6H6274.6°174.9°
O5C5C6H61165.6°54.9°
C5O5C1H165.5°58.9°
C5C6O6H62120.1°120.1°
C5C6O6H61120.1°120.0°
C6C5C4H457.0°57.7°
C5C6H62H61119.6°120.0°
C5C6O6H69180.0°180.0°
O1CAFCAMCAY11.3°180.0°
O1CAFCAMHAF121.8°120.0°
O1CAFCAMH63121.8°119.9°
CAFO1C1H1145.0°55.0°
O1CAFHAFH63114.2°119.9°
O1CAFCAMH2111.2°60.0°
O1CAFCAMHAM133.9°60.0°
O6C6C5H5164.5°54.9°
O6C6H62H61119.6°120.0°
CAYCAMCAFH2122.5°120.0°
CAYCAMCAFHAM122.6°120.0°
CAYCAMCAFHAF110.5°60.0°
CAYCAMCAFH63133.1°60.1°
CAYCAMH2HAM111.4°120.0°
CAMCAYH3H65120.0°120.1°
CAMCAYH3HAY120.0°120.0°
CAMCAYH65HAY120.0°120.0°
CAMCAFHAFH63114.2°120.1°
CAFCAMH2HAM111.3°120.0°
CAFCAMCAYH3180.0°60.0°
CAFCAMCAYH6560.0°180.0°
CAFCAMCAYHAY60.0°60.1°
H4C4C5H5178.6°177.7°
H4C4C3H31175.1°177.2°
H5C5C6H6244.4°65.1°
H5C5C6H6175.4°174.9°
H62C6O6H6959.9°60.0°
H61C6O6H6959.9°59.9°
H83C8H81H82120.0°120.0°
H22N2C2H2116.6°145.1°
H31C3C2H21173.0°177.2°
H31C3O3H3256.4°60.3°
H1C1C2H21177.6°177.7°
HAFCAFCAMH2127.0°60.0°
HAFCAFCAMHAM12.1°180.0°
H63CAFCAMH210.6°179.9°
H63CAFCAMHAM104.4°60.0°
H2CAMCAYH357.5°60.0°
H2CAMCAYH6562.5°60.0°
H2CAMCAYHAY177.5°180.0°
HAMCAMCAYH357.5°180.0°
HAMCAMCAYH65177.5°60.0°
HAMCAMCAYHAY62.5°60.0°
H64CAOCASHAS58.7°65.0°
H64CAOOAWHAW61.2°60.0°
HAOCAOCASHAS179.0°174.9°
HAOCAOOAWHAW61.1°60.0°
HAPCAPCAQHAQ176.0°177.1°
HAPCAPCAUHAU178.3°177.7°
HAPCAPOANHAN60.2°59.9°
HAQCAQCARHAR56.3°57.1°
HARCARCASHAS60.1°57.5°
HARCAROAVHAV60.2°59.8°
H3CAYH65HAY120.0°119.9°
HBFCBFH67H68120.0°119.9°

222415

PDB entries from 2024-07-10

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