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X33

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1Sdoub1.46Å1.46Å
SO2doub1.44Å1.44Å
SNsing1.54Å1.54Å
SC5sing1.77Å1.77Å
C5C4sing1.50Å1.50Å
C4C3sing1.53Å1.53Å
C3C1sing1.54Å1.54Å
C1B6sing1.72Å1.72Å
C1B5sing1.67Å1.67Å
C1B4sing1.74Å1.74Å
C1C2sing1.66Å1.66Å
B6B11sing1.72Å1.72Å
B6B5sing1.77Å1.77Å
B6B7sing1.72Å1.72Å
B11B5sing1.78Å1.78Å
B11B12sing1.74Å1.74Å
B11B7sing1.78Å1.78Å
B11B10sing1.78Å1.78Å
B5B10sing1.75Å1.75Å
B5B4sing1.79Å1.79Å
B12B7sing1.78Å1.78Å
B12B10sing1.76Å1.76Å
B12B8sing1.76Å1.76Å
B7B8sing1.75Å1.75Å
B7C2sing1.71Å1.71Å
B10B4sing1.78Å1.78Å
B4B9sing1.74Å1.74Å
B4B3sing1.77Å1.77Å
B9B3sing1.72Å1.72Å
B8C2sing1.68Å1.68Å
NH1sing1.00Å1.00Å
NH2sing1.00Å1.00Å
C5H3sing1.10Å1.10Å
C5H4sing1.10Å1.10Å
C4H5sing1.10Å1.10Å
C4H6sing1.10Å1.10Å
C3H7sing1.10Å1.10Å
C3H8sing1.10Å1.10Å
B9B8sing1.80Å1.80Å
B9B10sing1.80Å1.80Å
B9B12sing1.81Å1.81Å
B3C2sing1.76Å1.76Å
B3B8sing1.81Å1.81Å
C1B3sing1.75Å1.75Å
C2B6sing1.75Å1.75Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1SO2114.6°114.6°
O1SN110.6°110.6°
O1SC5103.0°103.0°
O2SN111.6°111.6°
O2SC5106.2°106.2°
NSC5110.4°110.4°
SNH1109.5°109.5°
SNH2109.5°109.5°
SC5C4112.1°112.1°
SC5H3108.8°108.8°
SC5H4108.8°108.8°
C5C4C3112.1°112.1°
C4C5H3108.8°108.8°
C4C5H4108.8°108.8°
C5C4H5108.8°108.8°
C5C4H6108.8°108.8°
C4C3C1119.4°119.4°
C3C4H5108.8°108.8°
C3C4H6108.8°108.8°
C4C3H7106.9°106.9°
C4C3H8106.9°106.9°
C3C1B6110.7°110.7°
C3C1B5116.2°116.2°
C3C1B4124.7°124.7°
C3C1C2117.1°117.1°
C1C3H7107.0°107.0°
C1C3H8106.9°106.9°
C3C1B3123.4°123.4°
B6C1B562.9°62.9°
B6C1B4114.6°114.6°
B6C1C262.2°62.2°
C1B6B11105.3°105.3°
C1B6B556.9°56.9°
C1B6B7105.6°105.6°
B6C1B3114.7°114.7°
C1B6C257.0°57.0°
B5C1B463.1°63.1°
B5C1C2112.9°112.9°
C1B5B660.1°60.1°
C1B5B11105.1°105.1°
C1B5B10106.4°106.4°
C1B5B460.6°60.6°
B5C1B3113.7°113.7°
B4C1C2111.3°111.3°
C1B4B556.3°56.3°
C1B4B10101.9°101.9°
C1B4B9103.4°103.4°
C1B4B359.7°59.7°
B4C1B360.8°60.8°
C1C2B7109.2°109.2°
C1C2B8110.9°110.9°
C1C2B361.5°61.5°
C2C1B362.1°62.1°
C1C2B660.8°60.8°
B11B6B561.4°61.4°
B11B6B762.4°62.4°
B6B11B560.7°60.7°
B6B11B12107.6°107.6°
B6B11B758.9°58.9°
B6B11B10108.3°108.3°
B11B6C2106.6°106.6°
B5B6B7110.5°110.5°
B6B5B1157.9°57.9°
B6B5B10107.4°107.4°
B6B5B4110.3°110.3°
B5B6C2103.8°103.8°
B6B7B1158.7°58.7°
B6B7B12105.5°105.5°
B6B7B8108.6°108.6°
B6B7C261.2°61.2°
B7B6C259.1°59.1°
B5B11B12106.6°106.6°
B5B11B7107.2°107.2°
B5B11B1058.8°58.8°
B11B5B1060.4°60.4°
B11B5B4109.1°109.1°
B12B11B760.7°60.7°
B12B11B1060.3°60.3°
B11B12B761.0°61.0°
B11B12B1061.0°61.0°
B11B12B8108.6°108.6°
B11B12B9109.1°109.1°
B7B11B10108.9°108.9°
B11B7B1258.3°58.3°
B11B7B8107.0°107.0°
B11B7C2105.5°105.5°
B11B10B560.7°60.7°
B11B10B1258.7°58.7°
B11B10B4109.8°109.8°
B11B10B9107.8°107.8°
B10B5B460.3°60.3°
B5B10B12106.8°106.8°
B5B10B460.9°60.9°
B5B10B9106.4°106.4°
B5B4B1058.8°58.8°
B5B4B9107.3°107.3°
B5B4B3107.1°107.1°
B7B12B10109.7°109.7°
B7B12B859.1°59.1°
B12B7B859.8°59.8°
B12B7C2103.7°103.7°
B7B12B9108.2°108.2°
B10B12B8109.3°109.3°
B12B10B4107.9°107.9°
B12B10B961.0°61.0°
B10B12B960.3°60.3°
B12B8B761.1°61.1°
B12B8C2106.1°106.1°
B12B8B961.0°61.0°
B8B12B960.7°60.7°
B12B8B3106.9°106.9°
B8B7C258.0°58.0°
B7B8C260.0°60.0°
B7B8B9110.1°110.1°
B7B8B3110.2°110.2°
B7C2B862.0°62.0°
B7C2B3114.6°114.6°
B7C2B659.7°59.7°
B10B4B961.4°61.4°
B10B4B3108.1°108.1°
B4B10B958.2°58.2°
B9B4B358.9°58.9°
B4B9B361.4°61.4°
B4B9B8109.6°109.6°
B4B9B1060.4°60.4°
B4B9B12107.8°107.8°
B4B3B959.7°59.7°
B4B3C2105.7°105.7°
B4B3B8107.8°107.8°
B4B3C159.5°59.5°
B3B9B861.9°61.9°
B3B9B10109.3°109.3°
B3B9B12108.7°108.7°
B9B3C2104.6°104.6°
B9B3B861.2°61.2°
B9B3C1103.8°103.8°
C2B8B9104.6°104.6°
B8C2B363.7°63.7°
C2B8B360.3°60.3°
B8C2B6110.7°110.7°
H1NH2109.5°109.5°
H3C5H4109.4°109.4°
H5C4H6109.5°109.5°
H7C3H8109.5°109.5°
B8B9B10106.0°106.0°
B8B9B1258.3°58.3°
B9B8B356.9°56.9°
B10B9B1258.7°58.7°
C2B3B856.0°56.0°
C2B3C156.4°56.4°
B3C2B6113.0°113.0°
B8B3C1100.9°100.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1SO2N126.7°126.7°
O1SO2C5112.9°112.9°
O1SNC5113.3°113.3°
O1SC5C4163.7°163.7°
O1SNH1180.0°180.0°
O1SNH260.0°60.0°
O1SC5H343.3°43.3°
O1SC5H475.9°75.9°
O2SNC5117.9°117.9°
O2SC5C442.9°42.9°
O2SNH151.2°51.2°
O2SNH2171.2°171.2°
O2SC5H377.5°77.5°
O2SC5H4163.4°163.4°
NSC5C478.2°78.2°
SNH1H2120.0°120.0°
NSC5H3161.4°161.4°
NSC5H442.2°42.2°
SC5C4H3120.4°120.4°
SC5C4H4120.4°120.4°
SC5C4C3174.9°174.9°
C5SNH166.7°66.7°
C5SNH253.3°53.3°
SC5H3H4118.8°118.8°
SC5C4H554.5°54.5°
SC5C4H664.8°64.8°
C5C4C3H5120.4°120.4°
C5C4C3H6120.4°120.4°
C5C4C3C179.6°79.6°
C4C5H3H4118.8°118.8°
C5C4H5H6118.8°118.8°
C5C4C3H741.8°41.8°
C5C4C3H8159.0°159.0°
C4C3C1H7121.4°121.4°
C4C3C1H8121.4°121.4°
C4C3C1B6151.8°151.8°
C4C3C1B582.7°82.7°
C4C3C1B48.4°8.4°
C4C3C1C2139.7°139.7°
C3C4C5H364.7°64.7°
C3C4C5H454.4°54.4°
C3C4H5H6118.8°118.8°
C4C3H7H8115.5°115.5°
C4C3C1B366.7°66.7°
C3C1B6B5109.7°109.7°
C3C1B6B4147.3°147.3°
C3C1B6C2110.6°110.6°
C3C1B6B3145.1°145.1°
C3C1B5B4117.5°117.5°
C3C1B5C2139.4°139.4°
C3C1B5B3152.3°152.3°
C3C1B4C2149.7°149.7°
C3C1B4B3112.3°112.3°
C3C1C2B3115.4°115.4°
C3C1B6B11149.3°149.3°
C3C1B6B7145.7°145.7°
C3C1B5B11138.8°138.8°
C3C1B5B10158.1°158.1°
C3C1C2B7136.5°136.5°
C3C1B4B10143.5°143.5°
C3C1B4B9153.3°153.3°
C3C1B3B9155.9°155.9°
C3C1C2B8157.0°157.0°
C1C3C4H5160.0°160.0°
C1C3C4H640.8°40.8°
C1C3H7H8115.5°115.5°
C3C1B3B8141.3°141.3°
B6C1B5B4141.6°141.6°
B6C1B5C238.4°38.4°
B6C1B5B3106.7°106.7°
B6C1B4C268.2°68.2°
B6C1B4B3105.6°105.6°
B6C1C2B3144.4°144.4°
C1B6B11B537.4°37.4°
C1B6B11B799.9°99.9°
C1B6B11C259.5°59.5°
C1B6B5B795.7°95.7°
C1B6B7C234.2°34.2°
C1B6B11B1262.1°62.1°
C1B6B11B101.6°1.6°
B6C1B5B10100.9°100.9°
C1B6B7B1263.2°63.2°
C1B6B7B80.4°0.4°
B6C1B4B101.4°1.4°
B6C1B4B964.6°64.6°
B6C1B3B964.0°64.0°
C1B6C2B8103.0°103.0°
B6C1C3H730.4°30.4°
B6C1C3H886.8°86.8°
B6C1B3B81.2°1.2°
B5C1B4C2105.7°105.7°
B5C1B4B3143.1°143.1°
B5C1C2B3105.6°105.6°
C1B5B11B10100.6°100.6°
C1B5B11B463.6°63.6°
C1B5B11B1262.3°62.3°
C1B5B11B71.5°1.5°
C1B5B10B440.8°40.8°
C1B5B10B1260.7°60.7°
B5C1C2B72.5°2.5°
B5C1B4B9102.1°102.1°
B5C1B3B95.8°5.8°
B5C1C2B864.0°64.0°
B5C1C3H738.7°38.7°
B5C1C3H8155.9°155.9°
C1B5B10B93.3°3.3°
B5C1B3B868.6°68.6°
B4C1C2B336.9°36.9°
B4C1B6B112.0°2.0°
B4C1B6B767.0°67.0°
C1B4B10B110.3°0.3°
C1B4B10B1262.0°62.0°
B4C1C2B771.3°71.3°
C1B4B10B998.9°98.9°
C1B4B10B361.8°61.8°
C1B4B9B341.5°41.5°
B4C1C2B84.8°4.8°
B4C1C3H7112.9°112.9°
B4C1C3H8129.8°129.8°
C1B4B9B81.3°1.3°
C1B4B9B1260.6°60.6°
B4C1B3B8104.3°104.3°
C2C1B5B110.6°0.6°
C1C2B7B113.3°3.3°
C2C1B5B1062.5°62.5°
C1C2B7B1263.7°63.7°
C1C2B8B1259.9°59.9°
C1C2B8B7101.3°101.3°
C1C2B7B366.7°66.7°
C2C1B4B1066.8°66.8°
C2C1B4B93.6°3.6°
C1C2B3B997.1°97.1°
C1C2B8B340.7°40.7°
C2C1C3H798.9°98.9°
C2C1C3H818.3°18.3°
C1C2B8B93.7°3.7°
B11B6B5B739.9°39.9°
B11B6B5C2101.7°101.7°
B11B6B7C2133.6°133.6°
B6B11B5B12101.2°101.2°
B6B11B5B10139.5°139.5°
B6B11B12B736.9°36.9°
B6B11B12B10101.5°101.5°
B6B11B7B10100.4°100.4°
B11B6B5B4100.4°100.4°
B6B11B12B80.7°0.7°
B11B6B7B899.0°99.0°
B6B11B10B40.8°0.8°
B11B6C2B85.3°5.3°
B6B11B10B962.6°62.6°
B6B11B12B963.8°63.8°
B11B6C2B363.9°63.9°
B11B6C1B365.6°65.6°
B5B6B7C294.2°94.2°
B6B5B10B4103.9°103.9°
B5B6B7B123.2°3.2°
B6B5B10B122.4°2.4°
B5B6B7B859.6°59.6°
B6B5B4B959.7°59.7°
B6B5B4B32.2°2.2°
B5B6C2B869.1°69.1°
B6B5B10B966.4°66.4°
B5B6C2B30.1°0.1°
B7B6B5B103.6°3.6°
B7B6B5B460.5°60.5°
B6B7B12B8102.8°102.8°
B6B7B12C263.5°63.5°
B6B7B12B101.7°1.7°
B6B7B8C235.9°35.9°
B6B7B8B959.8°59.8°
B6B7B12B965.8°65.8°
B6B7C2B3103.3°103.3°
B6B7B8B31.2°1.2°
B7B6C1B30.6°0.6°
B5B11B12B7100.8°100.8°
B5B11B12B1037.7°37.7°
B5B11B7B1062.2°62.2°
B11B5B10B4139.1°139.1°
B5B11B12B864.5°64.5°
B5B11B7B863.6°63.6°
B5B11B7C22.9°2.9°
B11B5B4B92.2°2.2°
B11B5B4B364.1°64.1°
B11B5B10B9101.6°101.6°
B5B11B12B90.0°0.0°
B11B5C1B368.8°68.8°
B12B11B7B1037.6°37.6°
B12B11B5B41.3°1.3°
B11B12B7B8139.3°139.3°
B11B12B7B9102.2°102.2°
B11B12B10B8101.1°101.1°
B11B12B10B9138.3°138.3°
B11B12B8B9102.0°102.0°
B12B11B7C296.8°96.8°
B12B11B10B499.4°99.4°
B11B12B9B41.4°1.4°
B11B12B9B363.7°63.7°
B11B12B8C23.9°3.9°
B11B12B8B367.1°67.1°
B12B11B6C22.6°2.6°
B7B11B5B465.1°65.1°
B11B7B8C297.9°97.9°
B7B11B10B461.7°61.7°
B11B7B8B92.2°2.2°
B7B11B10B90.1°0.1°
B11B7C2B363.4°63.4°
B11B7B8B363.2°63.2°
B10B11B7B81.4°1.4°
B10B11B7C259.3°59.3°
B11B10B4B999.2°99.2°
B11B10B4B362.1°62.1°
B11B10B9B364.0°64.0°
B11B10B9B81.2°1.2°
B10B11B6C261.1°61.1°
B5B10B12B70.5°0.5°
B5B10B12B464.1°64.1°
B5B10B12B999.8°99.8°
B5B10B12B862.6°62.6°
B5B10B4B9136.6°136.6°
B10B5B4B3101.2°101.2°
B5B10B9B30.2°0.2°
B5B10B9B865.0°65.0°
B10B5C1B35.8°5.8°
B10B5B6C265.4°65.4°
B5B4B9B399.9°99.9°
B5B4B9B859.7°59.7°
B5B4B9B122.2°2.2°
B5B4B3C22.2°2.2°
B5B4B3B860.8°60.8°
B4B5B6C21.3°1.3°
B7B12B10B863.1°63.1°
B7B12B10B9100.3°100.3°
B7B12B8B9139.0°139.0°
B12B7B8C2133.4°133.4°
B7B12B10B464.6°64.6°
B7B12B9B466.1°66.1°
B7B12B9B31.1°1.1°
B12B7C2B33.0°3.0°
B12B7B8B398.7°98.7°
B10B12B8B937.1°37.1°
B10B12B7C261.8°61.8°
B12B10B4B936.9°36.9°
B12B10B4B30.2°0.2°
B10B12B9B3101.7°101.7°
B10B12B8C261.0°61.0°
B10B12B8B32.2°2.2°
B8B12B10B41.5°1.5°
B12B8B9B499.3°99.3°
B12B8B3B42.0°2.0°
B8B12B9B337.4°37.4°
B12B8C2B963.5°63.5°
B12B8C2B3100.6°100.6°
B12B8B3C163.3°63.3°
B12B8C2B65.6°5.6°
B7B8B9B461.6°61.6°
B7B8B3B462.7°62.7°
B7B8B3B9101.4°101.4°
B7B8C2B9105.0°105.0°
B7B8C2B3142.0°142.0°
B7B8B9B102.1°2.1°
B7B8B3C11.4°1.4°
B7C2B3B464.5°64.5°
B7C2B3B92.4°2.4°
C2B7B12B92.4°2.4°
B10B4B9B3137.9°137.9°
B4B10B9B8103.8°103.8°
B10B4B3C259.8°59.8°
B10B4B3B81.1°1.1°
B4B9B3B8136.4°136.4°
B4B9B3B12100.5°100.5°
B4B9B8C21.3°1.3°
B9B4B3C298.1°98.1°
B4B3C2B8101.1°101.1°
B4B3C2B61.5°1.5°
B3B9B8C238.7°38.7°
B3B9B8B10103.7°103.7°
B9B3B8C199.9°99.9°
B9B3C2B663.5°63.5°
C2B8B9B1065.0°65.0°
B8C2B3B6102.6°102.6°
H3C5C4H5174.9°174.9°
H3C5C4H655.6°55.6°
H4C5C4H566.0°66.0°
H4C5C4H6174.8°174.8°
H5C4C3H778.6°78.6°
H5C4C3H838.6°38.6°
H6C4C3H7162.2°162.2°
H6C4C3H880.6°80.6°
H7C3C1B3171.9°171.9°
H8C3C1B354.7°54.7°
B9B8C2B669.2°69.2°
B10B9B3C261.7°61.7°
B10B9B3C13.4°3.4°
B12B9B3C20.7°0.7°
B12B9B3C159.0°59.0°

223532

PDB entries from 2024-08-07

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