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N6R

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5UC5Hdoub1.38Å1.62ÅAromatic
C5HC5Fsing1.38Å1.57ÅAromatic
C5HH5Hsing1.08Å1.08Å
C5EC5Fdoub1.38Å1.56ÅAromatic
C5FH5Fsing1.08Å1.08Å
C5GC5Esing1.38Å1.63ÅAromatic
C5EH5Esing1.08Å1.08Å
C5IC5Gdoub1.38Å1.57ÅAromatic
C5GH5Gsing1.08Å1.08Å
C5IC5Using1.38Å1.56ÅAromatic
C5IH5Ising1.08Å1.08Å
C5MC5Using1.51Å1.56Å
C5YC5Msing1.53Å1.56Å
C5MH5Msing1.09Å1.10Å
C5MH5MAsing1.09Å1.10Å
C5AC5Ysing1.53Å1.54Å
N6C5Ysing1.47Å1.48Å
C5YH5Ysing1.09Å1.10Å
C5AH5Asing1.09Å1.10Å
C5AH5AAsing1.09Å1.10Å
C5AH5ABsing1.09Å1.10Å
N6C6sing1.38Å1.49Å
N6HN6sing0.97Å1.00Å
C6N1doub1.33Å1.46ÅAromatic
C6C5sing1.41Å1.58ÅAromatic
N1C2sing1.32Å1.61ÅAromatic
C2N3doub1.32Å1.53ÅAromatic
C2H2sing1.08Å1.08Å
C4N3sing1.33Å1.49ÅAromatic
C5C4doub1.41Å1.55ÅAromatic
C4N9sing1.37Å1.53ÅAromatic
N7C5sing1.35Å1.49ÅAromatic
N7C8doub1.30Å1.57ÅAromatic
C8N9sing1.36Å1.50ÅAromatic
C8H8sing1.08Å1.08Å
N9C1Ssing1.47Å1.47Å
C2SC1Ssing1.55Å1.57Å
C1SO4Ssing1.45Å1.46Å
C1SH1Ssing1.09Å1.10Å
C4SO4Ssing1.43Å1.47Å
C3SC4Ssing1.55Å1.56Å
C4SC5Ssing1.52Å1.56Å
C4SH4Ssing1.09Å1.10Å
O5SC5Ssing1.45Å1.45Å
C5SH5Ssing1.09Å1.10Å
C5SH5SAsing1.09Å1.10Å
P5O5Ssing1.62Å1.73Å
O5DP5doub1.48Å1.65Å
O3SP5sing1.63Å1.53Å
O5BP5sing1.61Å1.45Å
O5BHO5Bsing0.97Å0.95Å
O3SC3Ssing1.43Å1.44Å
C2SC3Ssing1.53Å1.51Å
C3SH3Ssing1.09Å1.10Å
C2SO2Ssing1.43Å1.40Å
C2SH2Ssing1.09Å1.10Å
O2SHO2Ssing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5UC5HC5F119.3°120.0°
C5UC5HH5H120.3°120.0°
C5HC5UC5I120.9°120.0°
C5HC5UC5M118.9°120.0°
C5FC5HH5H120.4°120.0°
C5HC5FC5E119.9°120.0°
C5HC5FH5F120.0°120.0°
C5EC5FH5F120.0°120.0°
C5FC5EC5G120.7°120.0°
C5FC5EH5E119.7°120.0°
C5GC5EH5E119.6°120.0°
C5EC5GC5I119.3°120.0°
C5EC5GH5G120.4°120.0°
C5IC5GH5G120.3°120.0°
C5GC5IC5U119.9°120.0°
C5GC5IH5I120.1°120.0°
C5UC5IH5I120.1°120.0°
C5IC5UC5M120.2°120.0°
C5UC5MC5Y110.2°109.5°
C5UC5MH5M109.2°109.5°
C5UC5MH5MA109.1°109.5°
C5YC5MH5M109.3°109.5°
C5YC5MH5MA109.0°109.5°
C5MC5YC5A106.5°109.5°
C5MC5YN6107.3°109.5°
C5MC5YH5Y112.5°109.5°
H5MC5MH5MA110.0°109.5°
C5AC5YN6108.7°109.4°
C5AC5YH5Y111.2°109.4°
C5YC5AH5A109.5°109.4°
C5YC5AH5AA109.5°109.5°
C5YC5AH5AB109.5°109.5°
N6C5YH5Y110.5°109.4°
C5YN6C6122.1°120.0°
C5YN6HN6105.5°120.0°
H5AC5AH5AA109.5°109.4°
H5AC5AH5AB109.5°109.5°
H5AAC5AH5AB109.5°109.5°
C6N6HN6105.5°120.0°
N6C6N1122.0°120.8°
N6C6C5119.2°120.8°
N1C6C5118.7°118.5°
C6N1C2120.9°121.2°
C6C5C4120.5°118.2°
C6C5N7131.1°134.7°
N1C2N3119.5°122.5°
N1C2H2120.3°118.8°
N3C2H2120.2°118.7°
C2N3C4119.9°120.6°
N3C4C5120.5°119.1°
N3C4N9131.9°134.9°
C5C4N9107.5°106.0°
C4C5N7108.5°107.1°
C4N9C8108.3°107.5°
C4N9C1S125.4°126.3°
C5N7C8107.7°109.4°
N7C8N9108.0°109.9°
N7C8H8126.0°125.0°
N9C8H8126.0°125.1°
C8N9C1S126.2°126.2°
N9C1SC2S109.0°109.9°
N9C1SO4S106.0°109.9°
N9C1SH1S111.2°109.9°
C2SC1SO4S107.0°107.2°
C2SC1SH1S110.3°110.0°
C1SC2SC3S104.0°103.3°
C1SC2SO2S109.3°110.6°
C1SC2SH2S111.1°110.6°
O4SC1SH1S113.1°109.9°
C1SO4SC4S104.2°105.4°
O4SC4SC3S102.5°103.0°
O4SC4SC5S113.9°116.6°
O4SC4SH4S110.9°109.6°
C3SC4SC5S108.6°109.0°
C3SC4SH4S116.0°108.8°
C4SC3SO3S115.9°106.2°
C4SC3SC2S102.3°100.9°
C4SC3SH3S112.3°111.5°
C5SC4SH4S105.1°109.5°
C4SC5SO5S111.9°106.7°
C4SC5SH5S108.6°110.0°
C4SC5SH5SA108.1°110.0°
O5SC5SH5S108.7°110.0°
O5SC5SH5SA108.1°110.1°
C5SO5SP5120.5°120.2°
H5SC5SH5SA111.4°110.0°
O5SP5O5D102.3°110.0°
O5SP5O3S114.6°106.9°
O5SP5O5B109.9°110.0°
O5DP5O3S102.5°110.0°
O5DP5O5B118.2°109.9°
O3SP5O5B109.4°110.0°
P5O3SC3S113.8°116.6°
P5O5BHO5B109.5°114.0°
O3SC3SC2S115.0°114.6°
O3SC3SH3S98.8°111.1°
C2SC3SH3S113.1°111.9°
C3SC2SO2S102.7°110.7°
C3SC2SH2S116.9°110.6°
O2SC2SH2S112.2°110.8°
C2SO2SHO2S109.5°114.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5UC5HC5FH5H180.0°179.7°
C5UC5HC5FC5E0.0°0.3°
C5UC5HC5FH5F180.0°179.7°
C5HC5UC5IC5G0.1°0.6°
C5HC5UC5IC5M178.8°179.4°
C5HC5UC5IH5I179.9°179.7°
C5HC5UC5MC5Y93.0°90.6°
C5HC5UC5MH5M147.0°29.4°
C5HC5UC5MH5MA26.7°149.4°
C5HC5FC5EH5F180.0°180.0°
C5HC5FC5EC5G0.3°0.0°
C5HC5FC5EH5E179.7°179.9°
C5FC5HC5UC5I0.2°0.6°
C5FC5HC5UC5M178.7°180.0°
H5HC5HC5FC5E180.0°180.0°
H5HC5HC5FH5F0.0°0.0°
H5HC5HC5UC5I179.8°179.7°
H5HC5HC5UC5M1.3°0.3°
C5FC5EC5GH5E180.0°179.9°
C5FC5EC5GC5I0.3°0.0°
C5FC5EC5GH5G179.7°180.0°
H5FC5FC5EC5G179.7°180.0°
H5FC5FC5EH5E0.3°0.0°
C5EC5GC5IH5G180.0°180.0°
C5EC5GC5IC5U0.1°0.3°
C5EC5GC5IH5I179.9°180.0°
H5EC5EC5GC5I179.7°179.9°
H5EC5EC5GH5G0.3°0.1°
C5GC5IC5UH5I180.0°179.7°
C5GC5IC5UC5M178.7°180.0°
H5GC5GC5IC5U179.9°179.7°
H5GC5GC5IH5I0.1°0.0°
C5IC5UC5MC5Y88.2°90.0°
C5IC5UC5MH5M31.8°150.0°
C5IC5UC5MH5MA152.1°30.0°
H5IC5IC5UC5M1.3°0.3°
C5UC5MC5YH5M120.0°120.0°
C5UC5MC5YH5MA119.7°120.0°
C5UC5MH5MH5MA119.7°120.0°
C5UC5MC5YC5A79.2°175.0°
C5UC5MC5YN6164.6°65.0°
C5UC5MC5YH5Y42.9°55.0°
C5YC5MH5MH5MA119.7°120.0°
C5MC5YC5AN6115.3°120.0°
C5MC5YC5AH5Y122.9°120.0°
C5MC5YN6H5Y123.0°120.0°
C5MC5YC5AH5A25.7°60.0°
C5MC5YC5AH5AA94.4°179.9°
C5MC5YC5AH5AB145.7°60.0°
C5MC5YN6C683.5°154.9°
C5MC5YN6HN6156.5°24.9°
H5MC5MC5YC5A40.8°55.0°
H5MC5MC5YN675.4°175.0°
H5MC5MC5YH5Y162.9°65.0°
H5MAC5MC5YC5A161.1°65.0°
H5MAC5MC5YN644.9°55.0°
H5MAC5MC5YH5Y76.8°175.0°
C5AC5YN6H5Y122.3°119.9°
C5YC5AH5AH5AA120.0°120.0°
C5YC5AH5AH5AB120.0°120.0°
C5YC5AH5AAH5AB120.0°120.1°
C5AC5YN6C6161.8°85.0°
C5AC5YN6HN641.7°95.1°
N6C5YC5AH5A140.9°60.0°
N6C5YC5AH5AA20.9°59.9°
N6C5YC5AH5AB99.1°180.0°
C5YN6C6HN6120.0°179.9°
C5YN6C6N141.2°0.0°
C5YN6C6C5142.1°179.7°
H5YC5YC5AH5A97.2°179.9°
H5YC5YC5AH5AA142.7°60.0°
H5YC5YC5AH5AB22.8°60.1°
H5YC5YN6C639.5°34.9°
H5YC5YN6HN680.5°145.0°
H5AC5AH5AAH5AB120.0°120.0°
N6C6N1C5176.7°179.7°
N6C6N1C2176.4°180.0°
N6C6C5C4176.2°179.7°
N6C6C5N74.0°0.0°
HN6N6C6N178.8°179.9°
HN6N6C6C597.9°0.4°
C6N1C2N30.2°0.0°
C6N1C2H2179.8°180.0°
N1C6C5C40.5°0.5°
N1C6C5N7179.2°179.7°
C5C6N1C20.3°0.3°
C6C5C4N30.8°0.5°
C6C5C4N7179.8°179.8°
C6C5C4N9179.2°179.6°
C6C5N7C8179.5°180.0°
N1C2N3H2180.0°180.0°
N1C2N3C40.4°0.0°
C2N3C4C50.7°0.3°
C2N3C4N9178.7°180.0°
H2C2N3C4179.6°180.0°
N3C4C5N9178.5°179.8°
N3C4C5N7179.1°179.6°
N3C4N9C8178.9°179.2°
N3C4N9C1S5.2°0.0°
C4C5N7C80.3°0.2°
C5C4N9C80.6°0.5°
C5C4N9C1S176.6°179.8°
N9C4C5N70.6°0.2°
C4N9C8N70.5°0.7°
C4N9C8C1S175.9°179.2°
C4N9C8H8179.5°179.9°
C4N9C1SC2S101.7°85.9°
C4N9C1SO4S143.4°156.5°
C4N9C1SH1S20.1°35.4°
C5N7C8N90.1°0.6°
C5N7C8H8179.9°180.0°
N7C8N9H8180.0°179.4°
N7C8N9C1S176.4°179.9°
C8N9C1SC2S73.5°93.2°
C8N9C1SO4S41.4°24.5°
C8N9C1SH1S164.7°145.5°
H8C8N9C1S3.6°0.6°
N9C1SC2SO4S114.2°119.4°
N9C1SC2SH1S122.4°121.1°
N9C1SO4SH1S122.1°121.1°
N9C1SO4SC4S87.4°92.6°
N9C1SC2SC3S112.2°120.6°
N9C1SC2SO2S138.7°121.0°
N9C1SC2SH2S14.3°2.2°
C2SC1SO4SH1S121.6°119.5°
C2SC1SO4SC4S28.8°26.8°
C1SC2SC3SC4S23.7°25.8°
C1SC2SC3SO3S150.2°139.4°
C1SC2SC3SO2S113.9°118.4°
C1SC2SC3SH2S122.8°118.4°
C1SC2SC3SH3S97.3°92.9°
C1SC2SO2SH2S123.7°123.1°
C1SC2SO2SHO2S146.0°61.5°
C1SO4SC4SC3S43.8°43.7°
C1SO4SC4SC5S160.9°163.0°
C1SO4SC4SH4S80.8°72.0°
O4SC1SC2SC3S2.0°1.2°
O4SC1SC2SO2S107.1°119.6°
O4SC1SC2SH2S128.6°117.2°
H1SC1SO4SC4S150.4°146.3°
H1SC1SC2SC3S125.4°118.3°
H1SC1SC2SO2S16.3°0.2°
H1SC1SC2SH2S108.0°123.3°
O4SC4SC3SC5S120.8°124.4°
O4SC4SC3SH4S121.1°116.2°
O4SC4SC5SH4S121.6°125.1°
O4SC4SC5SO5S161.7°176.8°
O4SC4SC5SH5S78.3°57.5°
O4SC4SC5SH5SA42.8°63.8°
O4SC4SC3SO3S167.9°162.9°
O4SC4SC3SC2S41.9°43.1°
O4SC4SC3SH3S79.7°75.9°
C3SC4SC5SH4S124.8°118.9°
C3SC4SC5SO5S48.2°67.1°
C3SC4SC5SH5S168.2°173.5°
C3SC4SC5SH5SA70.7°52.2°
C4SC3SO3SP542.2°57.4°
C4SC3SO3SC2S119.2°110.5°
C4SC3SO3SH3S120.1°121.4°
C4SC3SC2SH3S121.0°118.7°
C4SC3SC2SO2S137.6°144.2°
C4SC3SC2SH2S99.1°92.6°
C4SC5SO5SH5S120.0°119.3°
C4SC5SO5SH5SA118.9°119.3°
C4SC5SH5SH5SA119.0°121.3°
C4SC5SO5SP57.9°49.7°
C5SC4SC3SO3S71.3°72.7°
C5SC4SC3SC2S162.7°167.5°
C5SC4SC3SH3S41.1°48.5°
H4SC4SC5SO5S76.6°51.8°
H4SC4SC5SH5S43.4°67.5°
H4SC4SC5SH5SA164.5°171.1°
H4SC4SC3SO3S46.8°46.7°
H4SC4SC3SC2S79.2°73.1°
H4SC4SC3SH3S159.2°167.9°
O5SC5SH5SH5SA119.0°121.4°
C5SO5SP5O5D91.1°153.4°
C5SO5SP5O3S19.0°34.1°
C5SO5SP5O5B142.5°85.4°
H5SC5SO5SP5127.9°169.1°
H5SAC5SO5SP5111.0°69.6°
O5SP5O5DO3S119.0°117.4°
O5SP5O5DO5B120.8°121.3°
O5SP5O3SO5B123.8°119.4°
O5SP5O5BHO5B156.9°60.0°
O5SP5O3SC3S1.3°38.1°
O5DP5O3SO5B126.2°121.2°
O5DP5O5BHO5B40.1°61.3°
O5DP5O3SC3S108.6°157.4°
O3SP5O5BHO5B76.5°177.4°
P5O3SC3SC2S161.4°167.9°
P5O3SC3SH3S77.9°64.0°
O5BP5O3SC3S125.2°81.4°
O3SC3SC2SH3S112.5°127.7°
O3SC3SC2SO2S95.9°102.2°
O3SC3SC2SH2S27.4°21.0°
C3SC2SO2SH2S126.4°123.1°
C3SC2SO2SHO2S104.1°175.3°
H3SC3SC2SO2S16.5°25.5°
H3SC3SC2SH2S139.9°148.7°
H2SC2SO2SHO2S22.3°61.6°

222415

PDB entries from 2024-07-10

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