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N6S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5HC5Udoub1.38Å1.63ÅAromatic
C5HC5Fsing1.38Å1.58ÅAromatic
C5HH5Hsing1.08Å1.08Å
C5FC5Edoub1.38Å1.56ÅAromatic
C5FH5Fsing1.08Å1.08Å
C5EC5Gsing1.38Å1.62ÅAromatic
C5EH5Esing1.08Å1.08Å
C5IC5Gdoub1.38Å1.57ÅAromatic
C5GH5Gsing1.08Å1.08Å
C5UC5Ising1.38Å1.56ÅAromatic
C5IH5Ising1.08Å1.08Å
C5MC5Using1.51Å1.56Å
C5MC5Ysing1.53Å1.57Å
C5MH5Msing1.09Å1.10Å
C5MH5MAsing1.09Å1.10Å
N6C5Ysing1.47Å1.47Å
C5YC5Asing1.53Å1.54Å
C5YH5Ysing1.09Å1.10Å
C5AH5Asing1.09Å1.10Å
C5AH5AAsing1.09Å1.10Å
C5AH5ABsing1.09Å1.10Å
C6N6sing1.38Å1.47Å
N6HN6sing0.97Å1.00Å
N1C6doub1.33Å1.44ÅAromatic
C5C6sing1.41Å1.56ÅAromatic
C2N1sing1.32Å1.58ÅAromatic
N3C2doub1.32Å1.52ÅAromatic
C2H2sing1.08Å1.08Å
N3C4sing1.33Å1.50ÅAromatic
N9C4sing1.37Å1.52ÅAromatic
C4C5doub1.40Å1.53ÅAromatic
C5N7sing1.35Å1.49ÅAromatic
C8N7doub1.30Å1.55ÅAromatic
N9C8sing1.36Å1.49ÅAromatic
C8H8sing1.08Å1.08Å
C1SN9sing1.47Å1.48Å
O4SC1Ssing1.45Å1.47Å
C1SC2Ssing1.55Å1.56Å
C1SH1Ssing1.09Å1.10Å
O4SC4Ssing1.42Å1.47Å
C5SC4Ssing1.52Å1.57Å
C3SC4Ssing1.55Å1.56Å
C4SH4Ssing1.09Å1.10Å
O5SC5Ssing1.45Å1.45Å
C5SH5Ssing1.09Å1.10Å
C5SH5SAsing1.09Å1.10Å
O5SP5sing1.62Å1.72Å
O5BP5doub1.48Å1.45Å
P5O3Ssing1.63Å1.53Å
P5O5Dsing1.61Å1.65Å
O5DHO5Dsing0.97Å0.95Å
C3SO3Ssing1.44Å1.43Å
C3SC2Ssing1.53Å1.51Å
C3SH3Ssing1.09Å1.10Å
O2SC2Ssing1.43Å1.41Å
C2SH2Ssing1.09Å1.10Å
O2SHO2Ssing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5UC5HC5F119.6°120.0°
C5UC5HH5H120.2°120.0°
C5HC5UC5I120.7°120.0°
C5HC5UC5M119.8°120.0°
C5FC5HH5H120.2°120.0°
C5HC5FC5E119.7°120.0°
C5HC5FH5F120.1°120.0°
C5EC5FH5F120.1°119.9°
C5FC5EC5G120.5°120.0°
C5FC5EH5E119.7°120.0°
C5GC5EH5E119.7°120.0°
C5EC5GC5I119.9°119.9°
C5EC5GH5G120.0°120.0°
C5IC5GH5G120.0°120.0°
C5GC5IC5U119.5°120.0°
C5GC5IH5I120.3°120.0°
C5UC5IH5I120.2°120.0°
C5IC5UC5M119.6°120.0°
C5UC5MC5Y109.6°109.5°
C5UC5MH5M109.4°109.5°
C5UC5MH5MA109.4°109.5°
C5YC5MH5M109.4°109.4°
C5YC5MH5MA109.4°109.5°
C5MC5YN6107.4°109.5°
C5MC5YC5A112.6°109.5°
C5MC5YH5Y108.4°109.5°
H5MC5MH5MA109.6°109.5°
N6C5YC5A108.4°109.5°
N6C5YH5Y112.7°109.5°
C5YN6C6121.3°120.0°
C5YN6HN6105.7°120.0°
C5AC5YH5Y107.5°109.5°
C5YC5AH5A109.5°109.5°
C5YC5AH5AA109.5°109.4°
C5YC5AH5AB109.5°109.4°
H5AC5AH5AA109.4°109.5°
H5AC5AH5AB109.5°109.5°
H5AAC5AH5AB109.5°109.5°
C6N6HN6105.7°120.0°
N6C6N1122.4°120.8°
N6C6C5117.7°120.8°
N1C6C5119.8°118.4°
C6N1C2121.5°121.2°
C6C5C4118.9°118.2°
C6C5N7131.2°134.7°
N1C2N3118.6°122.4°
N1C2H2120.7°118.8°
N3C2H2120.7°118.7°
C2N3C4120.0°120.7°
N3C4N9132.2°134.9°
N3C4C5121.2°119.1°
N9C4C5106.6°106.0°
C4N9C8108.5°107.4°
C4N9C1S124.1°126.3°
C4C5N7109.9°107.1°
C5N7C8106.3°109.5°
N7C8N9108.7°109.9°
N7C8H8125.7°125.0°
N9C8H8125.7°125.1°
C8N9C1S127.3°126.3°
N9C1SO4S106.7°109.9°
N9C1SC2S111.4°109.9°
N9C1SH1S109.7°109.9°
O4SC1SC2S108.4°107.1°
O4SC1SH1S112.7°110.1°
C1SO4SC4S100.6°105.5°
C2SC1SH1S108.0°109.9°
C1SC2SC3S102.3°103.3°
C1SC2SO2S109.1°110.6°
C1SC2SH2S113.6°110.7°
O4SC4SC5S113.8°116.6°
O4SC4SC3S101.8°103.0°
O4SC4SH4S112.5°109.5°
C5SC4SC3S111.8°108.4°
C5SC4SH4S102.7°109.5°
C4SC5SO5S112.5°106.7°
C4SC5SH5S108.5°110.0°
C4SC5SH5SA107.8°110.0°
C3SC4SH4S114.6°109.5°
C4SC3SO3S112.7°105.9°
C4SC3SC2S102.3°100.9°
C4SC3SH3S113.9°111.4°
O5SC5SH5S108.5°110.1°
O5SC5SH5SA107.8°110.1°
C5SO5SP5117.1°120.3°
H5SC5SH5SA111.9°110.0°
O5SP5O5B111.1°110.0°
O5SP5O3S113.4°106.9°
O5SP5O5D103.9°110.0°
O5BP5O3S112.1°109.9°
O5BP5O5D113.8°110.0°
O3SP5O5D102.0°110.0°
P5O3SC3S112.7°115.9°
P5O5DHO5D109.5°114.0°
O3SC3SC2S114.4°113.9°
O3SC3SH3S101.7°112.1°
C2SC3SH3S112.3°112.0°
C3SC2SO2S107.3°110.6°
C3SC2SH2S115.2°110.7°
O2SC2SH2S109.0°110.7°
C2SO2SHO2S109.5°113.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5UC5HC5FH5H180.0°179.7°
C5UC5HC5FC5E0.1°0.0°
C5UC5HC5FH5F179.9°180.0°
C5HC5UC5IC5G0.4°0.0°
C5HC5UC5IC5M179.8°180.0°
C5HC5UC5IH5I179.6°179.9°
C5HC5UC5MC5Y163.8°90.0°
C5HC5UC5MH5M76.2°150.0°
C5HC5UC5MH5MA43.9°30.0°
C5HC5FC5EH5F180.0°180.0°
C5HC5FC5EC5G0.3°0.0°
C5HC5FC5EH5E179.7°179.9°
C5FC5HC5UC5I0.2°0.0°
C5FC5HC5UC5M179.6°180.0°
H5HC5HC5FC5E179.9°179.7°
H5HC5HC5FH5F0.0°0.3°
H5HC5HC5UC5I179.8°179.7°
H5HC5HC5UC5M0.4°0.3°
C5FC5EC5GH5E180.0°179.9°
C5FC5EC5GC5I0.5°0.0°
C5FC5EC5GH5G179.5°179.9°
H5FC5FC5EC5G179.8°180.0°
H5FC5FC5EH5E0.2°0.1°
C5EC5GC5IH5G180.0°179.9°
C5EC5GC5IC5U0.5°0.0°
C5EC5GC5IH5I179.5°180.0°
H5EC5EC5GC5I179.5°179.9°
H5EC5EC5GH5G0.5°0.0°
C5GC5IC5UH5I180.0°180.0°
C5GC5IC5UC5M179.4°180.0°
H5GC5GC5IC5U179.5°179.9°
H5GC5GC5IH5I0.5°0.1°
C5IC5UC5MC5Y16.0°90.0°
C5IC5UC5MH5M104.0°30.0°
C5IC5UC5MH5MA135.9°150.0°
H5IC5IC5UC5M0.6°0.0°
C5UC5MC5YH5M120.0°120.0°
C5UC5MC5YH5MA119.9°120.0°
C5UC5MH5MH5MA119.9°120.0°
C5UC5MC5YN6170.5°64.9°
C5UC5MC5YC5A70.3°175.0°
C5UC5MC5YH5Y48.5°55.0°
C5YC5MH5MH5MA120.0°120.0°
C5MC5YN6C5A121.9°120.0°
C5MC5YN6H5Y119.3°120.0°
C5MC5YC5AH5Y119.3°120.0°
C5MC5YC5AH5A67.3°60.0°
C5MC5YC5AH5AA52.7°60.0°
C5MC5YC5AH5AB172.7°180.0°
C5MC5YN6C670.8°155.0°
C5MC5YN6HN6169.2°25.0°
H5MC5MC5YN650.5°55.0°
H5MC5MC5YC5A169.7°65.0°
H5MC5MC5YH5Y71.5°175.0°
H5MAC5MC5YN669.6°175.0°
H5MAC5MC5YC5A49.6°55.0°
H5MAC5MC5YH5Y168.4°65.0°
N6C5YC5AH5Y122.0°120.0°
N6C5YC5AH5A51.4°60.0°
N6C5YC5AH5AA171.3°180.0°
N6C5YC5AH5AB68.6°60.0°
C5YN6C6HN6120.0°180.0°
C5YN6C6N113.1°0.0°
C5YN6C6C5170.2°179.7°
C5YC5AH5AH5AA120.0°120.0°
C5YC5AH5AH5AB120.0°120.0°
C5YC5AH5AAH5AB120.0°119.9°
C5AC5YN6C651.1°85.0°
C5AC5YN6HN668.9°95.0°
H5YC5YC5AH5A173.4°180.0°
H5YC5YC5AH5AA66.7°60.0°
H5YC5YC5AH5AB53.4°60.0°
H5YC5YN6C6169.8°35.0°
H5YC5YN6HN649.9°145.0°
H5AC5AH5AAH5AB120.0°120.1°
N6C6N1C5176.6°179.7°
N6C6N1C2176.6°180.0°
N6C6C5C4176.8°179.7°
N6C6C5N73.2°0.4°
HN6N6C6N1133.1°179.9°
HN6N6C6C550.2°0.2°
C6N1C2N30.1°0.0°
C6N1C2H2179.9°180.0°
N1C6C5C40.0°0.6°
N1C6C5N7180.0°179.8°
C5C6N1C20.0°0.3°
C6C5C4N30.1°0.5°
C6C5C4N9179.6°179.6°
C6C5C4N7180.0°179.5°
C6C5N7C8179.7°179.3°
N1C2N3H2180.0°180.0°
N1C2N3C40.2°0.0°
C2N3C4N9179.6°180.0°
C2N3C4C50.2°0.3°
H2C2N3C4179.8°180.0°
N3C4N9C5179.4°179.8°
N3C4C5N7179.9°180.0°
N3C4N9C8179.8°179.9°
N3C4N9C1S2.5°0.0°
N9C4C5N70.4°0.2°
C4N9C8N70.2°0.3°
C4N9C8C1S177.5°179.9°
C4N9C8H8179.8°179.9°
C4N9C1SO4S123.5°157.4°
C4N9C1SC2S118.4°85.0°
C4N9C1SH1S1.1°36.0°
C4C5N7C80.3°0.0°
C5C4N9C80.4°0.3°
C5C4N9C1S178.0°179.8°
C5N7C8N90.0°0.2°
C5N7C8H8180.0°180.0°
N7C8N9H8180.0°179.8°
N7C8N9C1S177.8°179.8°
C8N9C1SO4S53.7°22.5°
C8N9C1SC2S64.5°95.1°
C8N9C1SH1S176.0°143.8°
H8C8N9C1S2.3°0.0°
N9C1SO4SC2S120.1°119.3°
N9C1SO4SH1S120.4°121.2°
N9C1SC2SH1S120.5°121.0°
N9C1SO4SC4S85.7°92.6°
N9C1SC2SC3S111.0°120.6°
N9C1SC2SO2S135.6°121.0°
N9C1SC2SH2S13.8°2.1°
O4SC1SC2SH1S122.4°119.6°
C1SO4SC4SC5S168.9°162.1°
C1SO4SC4SC3S48.4°43.7°
C1SO4SC4SH4S74.7°72.8°
O4SC1SC2SC3S6.1°1.3°
O4SC1SC2SO2S107.3°119.7°
O4SC1SC2SH2S130.9°117.2°
C2SC1SO4SC4S34.4°26.7°
C1SC2SC3SC4S23.1°25.8°
C1SC2SC3SO3S145.2°138.7°
C1SC2SC3SO2S114.8°118.4°
C1SC2SC3SH2S123.7°118.5°
C1SC2SC3SH3S99.5°92.8°
C1SC2SO2SH2S124.5°123.1°
C1SC2SO2SHO2S28.1°61.5°
H1SC1SO4SC4S153.9°146.2°
H1SC1SC2SC3S128.5°118.4°
H1SC1SC2SO2S15.1°0.0°
H1SC1SC2SH2S106.7°123.2°
O4SC4SC5SC3S114.7°115.5°
O4SC4SC5SH4S122.0°125.0°
O4SC4SC3SH4S121.8°116.4°
O4SC4SC5SO5S141.7°176.9°
O4SC4SC5SH5S98.3°57.5°
O4SC4SC5SH5SA23.0°63.7°
O4SC4SC3SO3S168.8°162.0°
O4SC4SC3SC2S45.5°43.1°
O4SC4SC3SH3S75.9°75.9°
C5SC4SC3SH4S116.4°119.5°
C4SC5SO5SH5S120.0°119.3°
C4SC5SO5SH5SA118.7°119.3°
C4SC5SH5SH5SA118.7°121.2°
C4SC5SO5SP522.0°49.7°
C5SC4SC3SO3S69.3°73.9°
C5SC4SC3SC2S167.3°167.2°
C5SC4SC3SH3S45.9°48.2°
C3SC4SC5SO5S27.0°67.6°
C3SC4SC5SH5S147.0°173.0°
C3SC4SC5SH5SA91.7°51.8°
C4SC3SO3SP550.0°58.7°
C4SC3SO3SC2S116.3°109.9°
C4SC3SO3SH3S122.4°121.7°
C4SC3SC2SH3S122.5°118.6°
C4SC3SC2SO2S137.8°144.2°
C4SC3SC2SH2S100.6°92.7°
H4SC4SC5SO5S96.4°51.8°
H4SC4SC5SH5S23.6°67.5°
H4SC4SC5SH5SA144.9°171.2°
H4SC4SC3SO3S47.0°45.5°
H4SC4SC3SC2S76.3°73.4°
H4SC4SC3SH3S162.3°167.6°
O5SC5SH5SH5SA118.8°121.5°
C5SO5SP5O5B166.7°85.2°
C5SO5SP5O3S39.4°34.1°
C5SO5SP5O5D70.5°153.4°
H5SC5SO5SP598.0°169.0°
H5SAC5SO5SP5140.7°69.6°
O5SP5O5BO3S128.0°117.4°
O5SP5O5BO5D116.9°121.3°
O5SP5O3SO5D111.1°119.4°
O5SP5O5DHO5D161.6°60.0°
O5SP5O3SC3S0.6°38.6°
O5BP5O3SO5D122.1°121.3°
O5BP5O5DHO5D40.7°61.4°
O5BP5O3SC3S127.4°80.7°
O3SP5O5DHO5D80.3°177.4°
P5O3SC3SC2S166.4°168.7°
P5O3SC3SH3S72.4°63.0°
O5DP5O3SC3S110.5°158.0°
O3SC3SC2SH3S115.3°128.5°
O3SC3SC2SO2S100.0°102.9°
O3SC3SC2SH2S21.6°20.2°
C3SC2SO2SH2S125.4°123.1°
C3SC2SO2SHO2S81.9°175.3°
H3SC3SC2SO2S15.3°25.6°
H3SC3SC2SH2S136.8°148.7°
H2SC2SO2SHO2S152.7°61.6°

224931

PDB entries from 2024-09-11

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