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Q3W

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.56Å1.56Å
C1C4sing1.56Å1.56Å
C6S8sing1.83Å1.83Å
C6C2sing1.53Å1.53Å
O9S8doub1.51Å1.51Å
C3C7sing1.66Å1.66Å
C3B19sing1.69Å1.69Å
C3B10sing1.63Å1.63Å
S8O5doub1.49Å1.49Å
S8N1sing1.61Å1.61Å
C4C7sing1.56Å1.56Å
C7B15sing1.66Å1.66Å
C7B13sing1.73Å1.73Å
B15B16sing1.77Å1.77Å
B15B17sing1.75Å1.75Å
B15B13sing1.79Å1.79Å
B16B19sing1.78Å1.78Å
B16B11sing1.76Å1.76Å
B19B11sing1.77Å1.77Å
B10B12sing1.74Å1.74Å
B13B18sing1.78Å1.78Å
B18B12sing1.74Å1.74Å
C1H1sing1.10Å1.10Å
C1H2sing1.10Å1.10Å
C6H3sing1.10Å1.10Å
C6H4sing1.10Å1.10Å
N1H6sing1.00Å1.00Å
N1H7sing1.00Å1.00Å
C2H8sing1.10Å1.10Å
C2H9sing1.10Å1.10Å
C4H10sing1.10Å1.10Å
C4H11sing1.10Å1.10Å
C7B12sing1.77Å1.77Å
B16B17sing1.81Å1.81Å
B17B18sing1.84Å1.84Å
B11B17sing1.80Å1.80Å
B13B17sing1.81Å1.81Å
B11B18sing1.80Å1.80Å
B10B11sing1.81Å1.81Å
B12B13sing1.84Å1.84Å
C3B12sing1.76Å1.76Å
B18B10sing1.80Å1.80Å
B10B19sing1.84Å1.84Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C4118.0°118.0°
C1C2C6118.4°118.4°
C2C1H1107.3°107.3°
C2C1H2107.3°107.3°
C1C2H8107.2°107.2°
C1C2H9107.2°107.2°
C1C4C7121.2°121.2°
C4C1H1107.3°107.3°
C4C1H2107.3°107.3°
C1C4H10106.5°106.5°
C1C4H11106.5°106.5°
S8C6C2110.9°110.9°
C6S8O9104.9°104.9°
C6S8O5106.5°106.5°
C6S8N1109.5°109.5°
S8C6H3109.1°109.1°
S8C6H4109.1°109.1°
C2C6H3109.1°109.1°
C2C6H4109.1°109.1°
C6C2H8107.2°107.2°
C6C2H9107.2°107.2°
O9S8O5113.8°113.8°
O9S8N1110.8°110.8°
C7C3B19100.1°100.1°
C7C3B10107.5°107.5°
C3C7C4114.6°114.6°
C3C7B15119.9°119.9°
C3C7B13115.6°115.6°
C3C7B1261.6°61.6°
C7C3B1262.3°62.3°
B19C3B1067.0°67.0°
C3B19B16113.0°113.0°
C3B19B11104.5°104.5°
B19C3B12114.3°114.3°
C3B19B1054.9°54.9°
C3B10B1262.7°62.7°
C3B10B11104.9°104.9°
B10C3B1261.7°61.7°
C3B10B18107.5°107.5°
C3B10B1958.1°58.1°
O5S8N1111.0°111.0°
S8N1H6109.5°109.5°
S8N1H7109.5°109.5°
C4C7B15114.9°114.9°
C4C7B13119.0°119.0°
C7C4H10106.5°106.5°
C7C4H11106.5°106.5°
C4C7B12117.9°117.9°
B15C7B1363.7°63.7°
C7B15B16102.9°102.9°
C7B15B17105.2°105.2°
C7B15B1360.0°60.0°
B15C7B12117.9°117.9°
C7B13B1556.3°56.3°
C7B13B1899.7°99.7°
B13C7B1263.4°63.4°
C7B13B1799.8°99.8°
C7B13B1259.4°59.4°
B16B15B1761.7°61.7°
B16B15B13111.3°111.3°
B15B16B19103.8°103.8°
B15B16B11104.6°104.6°
B15B16B1758.5°58.5°
B17B15B1361.7°61.7°
B15B17B1659.8°59.8°
B15B17B18105.3°105.3°
B15B17B11103.9°103.9°
B15B17B1360.2°60.2°
B15B13B18106.3°106.3°
B15B13B1758.1°58.1°
B15B13B12108.2°108.2°
B19B16B1159.9°59.9°
B16B19B1159.3°59.3°
B19B16B17107.9°107.9°
B16B19B10109.9°109.9°
B16B11B1960.8°60.8°
B11B16B1760.5°60.5°
B16B11B1761.2°61.2°
B16B11B18111.2°111.2°
B16B11B10112.2°112.2°
B19B11B17109.2°109.2°
B19B11B18108.7°108.7°
B19B11B1061.8°61.8°
B11B19B1060.4°60.4°
B10B12B1862.1°62.1°
B10B12C798.3°98.3°
B12B10B11107.3°107.3°
B10B12B13108.7°108.7°
B10B12C355.6°55.6°
B12B10B1859.0°59.0°
B12B10B19108.2°108.2°
B13B18B1262.9°62.9°
B13B18B1760.2°60.2°
B18B13B1761.5°61.5°
B13B18B11106.6°106.6°
B18B13B1257.7°57.7°
B13B18B10108.9°108.9°
B18B12C799.4°99.4°
B12B18B17111.4°111.4°
B12B18B11107.8°107.8°
B18B12B1359.4°59.4°
B18B12C3104.5°104.5°
B12B18B1058.9°58.9°
H1C1H2109.5°109.5°
H3C6H4109.5°109.5°
H6N1H7109.5°109.5°
H8C2H9109.5°109.5°
H10C4H11109.5°109.5°
C7B12B1357.2°57.2°
C7B12C356.2°56.2°
B16B17B18107.1°107.1°
B16B17B1158.3°58.3°
B16B17B13108.6°108.6°
B18B17B1159.4°59.4°
B18B17B1358.2°58.2°
B17B18B1159.1°59.1°
B17B18B10109.3°109.3°
B11B17B13105.2°105.2°
B17B11B1861.5°61.5°
B17B11B10110.5°110.5°
B17B13B12108.3°108.3°
B18B11B1059.7°59.7°
B11B18B1060.5°60.5°
B11B10B1859.8°59.8°
B11B10B1957.8°57.8°
B13B12C3105.8°105.8°
B18B10B19105.7°105.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C4H1121.2°121.2°
C2C1C4H2121.2°121.2°
C1C2C6S8165.3°165.3°
C1C2C6H8121.2°121.2°
C1C2C6H9121.3°121.3°
C2C1C4C7159.5°159.5°
C2C1H1H2116.2°116.1°
C1C2C6H374.5°74.5°
C1C2C6H445.1°45.1°
C1C2H8H9116.0°116.0°
C2C1C4H1037.9°37.9°
C2C1C4H1178.9°78.9°
C4C1C2C618.5°18.5°
C1C4C7C321.9°21.9°
C1C4C7H10121.6°121.6°
C1C4C7H11121.6°121.6°
C1C4C7B15166.5°166.5°
C1C4C7B13120.9°120.9°
C4C1H1H2116.1°116.1°
C4C1C2H8139.8°139.8°
C4C1C2H9102.7°102.7°
C1C4H10H11114.7°114.7°
C1C4C7B1247.6°47.6°
S8C6C2H3120.2°120.2°
S8C6C2H4120.2°120.2°
C6S8O9O5116.0°116.0°
C6S8O9N1118.1°118.1°
C6S8O5N1119.1°119.1°
S8C6H3H4119.4°119.4°
C6S8N1H6180.0°180.0°
C6S8N1H760.0°60.0°
S8C6C2H873.4°73.4°
S8C6C2H944.1°44.1°
C2C6S8O9115.2°115.2°
C2C6S8O5123.8°123.8°
C2C6S8N13.7°3.7°
C6C2C1H1139.7°139.8°
C6C2C1H2102.7°102.7°
C2C6H3H4119.4°119.4°
C6C2H8H9115.9°115.9°
O9S8O5N1125.8°125.8°
O9S8C6H35.0°5.0°
O9S8C6H4124.5°124.5°
O9S8N1H664.7°64.7°
O9S8N1H755.3°55.3°
C7C3B19B10104.8°104.8°
C7C3B19B1264.0°64.0°
C7C3B10B1243.6°43.6°
C3C7C4B15144.6°144.6°
C3C7C4B13142.8°142.8°
C3C7C4B1269.5°69.5°
C3C7B15B13105.8°105.8°
C3C7B15B1271.5°71.5°
C3C7B13B1233.8°33.8°
C3C7B15B161.5°1.5°
C3C7B15B1762.3°62.3°
C7C3B19B166.0°6.0°
C7C3B19B1168.4°68.4°
C3C7B13B189.2°9.2°
C3C7B12B18101.3°101.3°
C3C7C4H1099.7°99.7°
C3C7C4H11143.5°143.5°
C3C7B13B1771.7°71.7°
C7C3B10B1158.4°58.4°
C7C3B10B184.1°4.1°
B19C3B10B12137.4°137.4°
B19C3C7C4138.0°138.0°
B19C3C7B154.7°4.7°
B19C3C7B1377.8°77.8°
C3B19B16B155.5°5.5°
C3B19B16B1193.6°93.6°
C3B19B16B1059.3°59.3°
C3B19B11B1034.0°34.0°
B19C3B12B182.8°2.8°
C3B19B16B1755.4°55.4°
C3B19B11B1769.6°69.6°
C3B19B11B184.1°4.1°
B19C3B12B1359.0°59.0°
C3B19B10B18101.1°101.1°
B10C3C7C4153.0°153.0°
B10C3C7B1564.2°64.2°
B10C3C7B138.9°8.9°
C3B10B11B160.4°0.4°
C3B10B12B1198.2°98.2°
C3B10B12B18134.9°134.9°
C3B10B18B131.5°1.5°
C3B10B18B1762.6°62.6°
C3B10B11B1765.9°65.9°
C3B10B18B1197.3°97.3°
B10C3B12B13102.1°102.1°
O5S8C6H3116.0°116.0°
O5S8C6H43.6°3.6°
O5S8N1H662.8°62.8°
O5S8N1H7177.2°177.2°
N1S8C6H3123.9°123.9°
N1S8C6H4116.5°116.5°
S8N1H6H7120.0°120.0°
C4C7B15B13111.5°111.5°
C4C7B15B12145.9°145.9°
C4C7B13B12108.7°108.7°
C4C7B15B16141.1°141.1°
C4C7B15B17155.1°155.1°
C4C7B12B10142.7°142.7°
C4C7B13B18151.7°151.7°
C4C7B12B18154.3°154.3°
C7C4C1H179.3°79.3°
C7C4C1H238.3°38.3°
C7C4H10H11114.7°114.7°
C4C7B13B17145.8°145.8°
B15C7B13B12146.1°146.1°
C7B15B16B17100.5°100.5°
C7B15B16B1362.5°62.5°
C7B15B17B1342.7°42.7°
C7B15B16B192.3°2.3°
C7B15B16B1159.7°59.7°
B15C7B12B1072.4°72.4°
B15C7B13B18103.1°103.1°
B15C7B12B189.5°9.5°
B15C7C4H1044.9°44.9°
B15C7C4H1171.8°71.8°
C7B15B17B184.4°4.4°
C7B15B17B1157.2°57.2°
C7B13B12B1087.9°87.9°
C7B13B18B1795.9°95.9°
C7B13B18B1244.0°44.0°
B13C7C4H10117.4°117.4°
B13C7C4H110.7°0.7°
C7B13B17B163.1°3.1°
C7B13B17B1158.0°58.0°
C7B13B17B1260.9°60.9°
C7B13B18B1157.8°57.8°
C7B13B18B106.0°6.0°
B16B15B17B13139.4°139.4°
B15B16B19B1199.1°99.1°
B15B16B19B1760.9°60.9°
B15B16B11B1739.8°39.8°
B16B15B13B182.0°2.0°
B16B15C7B1273.0°73.0°
B16B15B17B18101.1°101.1°
B15B16B11B182.6°2.6°
B15B16B11B1062.2°62.2°
B16B15B13B1262.6°62.6°
B15B16B19B1064.8°64.8°
B15B17B11B191.7°1.7°
B17B15B13B1840.0°40.0°
B15B17B18B121.2°1.2°
B17B15C7B129.2°9.2°
B15B17B18B1197.3°97.3°
B15B17B11B1362.4°62.4°
B15B17B11B1064.5°64.5°
B15B17B13B12100.4°100.4°
B15B17B18B1062.0°62.0°
B13B15B16B1964.8°64.8°
B13B15B16B112.8°2.8°
B15B13B12B1058.7°58.7°
B15B13B18B12101.5°101.5°
B15B13B18B110.3°0.3°
B15B13B12C30.3°0.3°
B15B13B18B1063.5°63.5°
B19B16B11B17137.5°137.5°
B16B19B11B10142.4°142.4°
B16B19B10B1265.4°65.4°
B19B16B17B182.7°2.7°
B19B16B17B1358.8°58.8°
B19B16B11B18100.3°100.3°
B16B19C3B1258.0°58.0°
B16B19B10B183.5°3.5°
B16B11B10B1265.9°65.9°
B16B11B18B131.5°1.5°
B16B11B18B1267.7°67.7°
B11B16B17B1835.3°35.3°
B16B11B17B10104.8°104.8°
B16B11B17B13102.7°102.7°
B16B11B18B10104.1°104.1°
B11B19B10B1299.3°99.3°
B19B11B18B1363.6°63.6°
B19B11B18B122.6°2.6°
B19B11B18B17102.2°102.2°
B19B11B17B1066.1°66.1°
B19B11B17B1364.1°64.1°
B19B11B18B1039.1°39.1°
B11B19C3B124.4°4.4°
B10B12B18B13137.1°137.1°
B10B12B18C794.5°94.5°
B10B12B18B17100.2°100.2°
B12B10B11B170.4°0.4°
B10B12B13B172.8°2.8°
B12B10B11B1836.4°36.4°
B12B10B18B19102.1°102.1°
B13B18B12B1736.9°36.9°
B13B18B12B11100.0°100.0°
B13B18B17B16101.7°101.7°
B13B18B17B11136.5°136.5°
B13B18B17B10101.2°101.2°
B13B18B11B10102.6°102.6°
B13B18B12C3100.0°100.0°
B13B18B10B1962.3°62.3°
B12B18B17B1663.7°63.7°
B12B18B17B1198.5°98.5°
H1C1C2H899.0°99.0°
H1C1C2H918.5°18.5°
H1C1C4H10159.1°159.1°
H1C1C4H1142.4°42.3°
H2C1C2H818.6°18.6°
H2C1C2H9136.1°136.1°
H2C1C4H1083.4°83.4°
H2C1C4H11159.9°159.9°
H3C6C2H846.8°46.8°
H3C6C2H9164.3°164.3°
H4C6C2H8166.4°166.4°
H4C6C2H976.1°76.1°
H10C4C7B12169.2°169.2°
H11C4C7B1274.1°74.1°
C7B12B18B175.8°5.8°
C7B12B18B1157.3°57.3°
C7B12B10B1159.5°59.5°
C7B12B10B191.4°1.4°
B16B17B13B1264.0°64.0°
B16B17B18B100.5°0.5°
B17B16B19B103.9°3.9°
B17B18B11B10141.2°141.2°
B17B18B12C363.1°63.1°
B17B18B10B191.8°1.8°
B11B17B13B122.9°2.9°
B13B17B11B102.1°2.1°
B17B13B12C361.2°61.2°
B11B18B12C30.0°0.0°
B11B10B12B131.5°1.5°
B13B12B10B1959.5°59.5°

223790

PDB entries from 2024-08-14

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