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Q3T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.64Å1.64Å
C1C3sing1.56Å1.56Å
C1B6sing1.68Å1.68Å
C1B5sing1.71Å1.71Å
C1B3sing1.66Å1.66Å
C2B7sing1.72Å1.72Å
C2B8sing1.66Å1.66Å
C3Ssing1.85Å1.85Å
O1Sdoub1.48Å1.48Å
SO2doub1.48Å1.48Å
SNsing1.58Å1.58Å
B6B11sing1.68Å1.68Å
B6B5sing1.78Å1.78Å
B6B7sing1.76Å1.76Å
B11B12sing1.72Å1.72Å
B11B10sing1.78Å1.78Å
B5B10sing1.74Å1.74Å
B12B10sing1.77Å1.77Å
B12B9sing1.77Å1.77Å
B12B8sing1.75Å1.75Å
B7B8sing1.76Å1.76Å
B10B4sing1.76Å1.76Å
B4B9sing1.77Å1.77Å
B4B3sing1.76Å1.76Å
B9B3sing1.72Å1.72Å
C3H2sing1.10Å1.10Å
C3H3sing1.10Å1.10Å
NH4sing1.00Å1.00Å
NH5sing1.00Å1.00Å
B11B5sing1.84Å1.84Å
B6C2sing1.75Å1.75Å
B11B7sing1.80Å1.80Å
C2B3sing1.76Å1.76Å
B3B8sing1.83Å1.83Å
B12B7sing1.80Å1.80Å
B9B8sing1.82Å1.82Å
B5B4sing1.82Å1.82Å
C1B4sing1.79Å1.79Å
B10B9sing1.82Å1.82Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C3114.0°114.0°
C2C1B663.3°63.3°
C2C1B5115.9°115.9°
C2C1B364.5°64.5°
C1C2B7110.5°110.5°
C1C2B8110.0°110.0°
C1C2B659.5°59.5°
C1C2B358.3°58.3°
C2C1B4114.4°114.4°
C3C1B6118.4°118.4°
C3C1B5120.9°120.9°
C3C1B3113.8°113.8°
C1C3S126.6°126.6°
C1C3H2105.1°105.1°
C1C3H3105.1°105.1°
C3C1B4119.5°119.5°
B6C1B563.2°63.2°
B6C1B3116.7°116.7°
C1B6B11107.8°107.8°
C1B6B559.0°59.0°
C1B6B7106.5°106.5°
C1B6C257.2°57.2°
B6C1B4114.6°114.6°
B5C1B3114.9°114.9°
C1B5B657.8°57.8°
C1B5B10103.1°103.1°
C1B5B11100.0°100.0°
C1B5B460.9°60.9°
B5C1B462.8°62.8°
C1B3B463.0°63.0°
C1B3B9106.8°106.8°
C1B3C257.2°57.2°
C1B3B8101.4°101.4°
B3C1B461.1°61.1°
B7C2B862.5°62.5°
C2B7B660.1°60.1°
C2B7B857.2°57.2°
B7C2B661.2°61.2°
C2B7B11103.4°103.4°
B7C2B3115.2°115.2°
C2B7B12100.8°100.8°
C2B8B12105.4°105.4°
C2B8B760.4°60.4°
B8C2B6110.3°110.3°
B8C2B364.6°64.6°
C2B8B360.3°60.3°
C2B8B9105.5°105.5°
C3SO1109.1°109.1°
C3SO2103.3°103.3°
C3SN105.0°105.0°
SC3H2105.0°105.0°
SC3H3105.0°105.0°
O1SO2114.2°114.2°
O1SN112.7°112.7°
O2SN111.7°111.7°
SNH4109.5°109.5°
SNH5109.5°109.5°
B11B6B564.4°64.4°
B11B6B763.0°63.0°
B6B11B12107.0°107.0°
B6B11B10106.0°106.0°
B6B11B560.2°60.2°
B11B6C2107.5°107.5°
B6B11B760.6°60.6°
B5B6B7115.3°115.3°
B6B5B10104.0°104.0°
B6B5B1155.4°55.4°
B5B6C2107.4°107.4°
B6B5B4108.8°108.8°
B6B7B8105.3°105.3°
B7B6C258.7°58.7°
B6B7B1156.4°56.4°
B6B7B12100.3°100.3°
B12B11B1060.7°60.7°
B11B12B1061.5°61.5°
B11B12B9111.8°111.8°
B11B12B8109.5°109.5°
B12B11B5106.2°106.2°
B12B11B761.4°61.4°
B11B12B761.7°61.7°
B11B10B563.1°63.1°
B11B10B1257.8°57.8°
B11B10B4112.5°112.5°
B10B11B557.2°57.2°
B10B11B7110.8°110.8°
B11B10B9106.8°106.8°
B5B10B12108.6°108.6°
B5B10B462.7°62.7°
B10B5B1159.6°59.6°
B10B5B459.4°59.4°
B5B10B9108.9°108.9°
B10B12B961.7°61.7°
B10B12B8111.1°111.1°
B12B10B4108.2°108.2°
B10B12B7111.7°111.7°
B12B10B959.3°59.3°
B9B12B862.2°62.2°
B12B9B4107.5°107.5°
B12B9B3107.0°107.0°
B9B12B7111.4°111.4°
B12B9B858.1°58.1°
B12B9B1059.0°59.0°
B12B8B761.8°61.8°
B12B8B3103.6°103.6°
B8B12B759.3°59.3°
B12B8B959.7°59.7°
B8B7B11105.2°105.2°
B7B8B3110.0°110.0°
B8B7B1258.8°58.8°
B7B8B9111.4°111.4°
B10B4B961.8°61.8°
B10B4B3106.3°106.3°
B10B4B558.0°58.0°
B10B4C198.7°98.7°
B4B10B959.4°59.4°
B9B4B358.5°58.5°
B4B9B360.3°60.3°
B4B9B8110.5°110.5°
B9B4B5107.2°107.2°
B9B4C199.5°99.5°
B4B9B1058.8°58.8°
B4B3B961.2°61.2°
B4B3C2110.1°110.1°
B4B3B8110.6°110.6°
B3B4B5104.9°104.9°
B3B4C155.9°55.9°
B9B3C2105.3°105.3°
B9B3B861.4°61.4°
B3B9B862.2°62.2°
B3B9B10105.4°105.4°
H2C3H3109.5°109.5°
H4NH5109.4°109.4°
B5B11B7110.1°110.1°
B11B5B4107.2°107.2°
B6C2B3108.6°108.6°
B11B7B1256.9°56.9°
C2B3B855.1°55.1°
B3B8B956.4°56.4°
B8B9B10105.7°105.7°
B5B4C156.4°56.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C3B671.4°71.4°
C2C1C3B5145.5°145.5°
C2C1C3B371.4°71.4°
C2C1C3B4140.4°140.4°
C2C1B6B5143.4°143.4°
C2C1B6B337.5°37.5°
C2C1B6B4106.1°106.1°
C2C1B5B372.3°72.3°
C2C1B5B4105.4°105.4°
C2C1B3B4141.9°141.9°
C1C2B7B8102.5°102.5°
C1C2B7B634.6°34.6°
C1C2B7B363.7°63.7°
C1C2B8B663.8°63.8°
C1C2B8B337.8°37.8°
C2C1C3S67.9°67.9°
C2C1B6B1199.7°99.7°
C2C1B5B1062.2°62.2°
C1C2B8B1259.3°59.3°
C2C1B4B1066.1°66.1°
C2C1B4B93.4°3.4°
C1C2B3B9100.4°100.4°
C2C1C3H2169.8°169.8°
C2C1C3H354.3°54.3°
C2C1B5B111.3°1.3°
C1C2B7B112.9°2.9°
C1C2B7B1261.2°61.2°
C1C2B8B92.8°2.8°
C3C1B6B5112.4°112.4°
C3C1B6B3141.7°141.7°
C3C1B6B4149.7°149.7°
C3C1B5B3142.8°142.8°
C3C1B5B4109.7°109.7°
C3C1B3B4111.7°111.7°
C3C1C2B7146.3°146.3°
C3C1C2B8146.6°146.6°
C1C3SH2122.3°122.3°
C1C3SH3122.3°122.3°
C1C3SO163.6°63.6°
C1C3SO258.2°58.2°
C1C3SN175.4°175.4°
C3C1B6B11156.1°156.1°
C3C1B6B7137.6°137.6°
C3C1B5B10152.9°152.9°
C3C1B4B10153.6°153.6°
C3C1B4B9143.7°143.7°
C3C1B3B9155.9°155.9°
C1C3H2H3112.4°112.4°
C3C1B5B11146.2°146.2°
C3C1B3B8140.8°140.8°
B6C1B5B3108.7°108.7°
B6C1B5B4141.8°141.8°
B6C1B3B4104.8°104.8°
B6C1C3S3.5°3.5°
C1B6B11B541.1°41.1°
C1B6B11B799.8°99.8°
C1B6B5B794.7°94.7°
C1B6B11B1258.2°58.2°
C1B6B11B105.4°5.4°
B6C1B5B1098.5°98.5°
C1B6B7B83.6°3.6°
B6C1B4B104.3°4.3°
B6C1B4B967.0°67.0°
B6C1B3B960.6°60.6°
B6C1C3H2118.7°118.7°
B6C1C3H3125.8°125.8°
B6C1B3B82.7°2.7°
C1B6B7B1263.9°63.9°
B5C1B3B433.7°33.7°
B5C1C2B71.0°1.0°
B5C1C2B866.1°66.1°
B5C1C3S77.6°77.6°
C1B5B11B1261.8°61.8°
C1B5B10B1194.1°94.1°
C1B5B10B444.1°44.1°
C1B5B10B1257.3°57.3°
B5C1B4B9104.4°104.4°
B5C1B3B910.5°10.5°
B5C1C3H244.7°44.7°
B5C1C3H3160.1°160.1°
C1B5B11B462.4°62.4°
C1B5B11B73.0°3.0°
B5C1B3B873.8°73.8°
C1B5B10B95.7°5.7°
B3C1C3S139.3°139.3°
B3C1B6B1162.2°62.2°
B3C1B6B74.2°4.2°
B3C1B5B1010.1°10.1°
C1B3B9B1255.7°55.7°
C1B3B8B1264.7°64.7°
C1B3B8B70.1°0.1°
C1B3B4B1089.6°89.6°
B3C1B4B941.1°41.1°
C1B3B4B892.6°92.6°
C1B3B9B894.1°94.1°
B3C1C3H298.5°98.5°
B3C1C3H317.0°17.0°
B3C1B5B1171.1°71.1°
C1B3B9B105.9°5.9°
B7C2B8B639.5°39.5°
B7C2B8B3141.0°141.0°
B7C2B6B1141.6°41.6°
B7C2B6B5109.5°109.5°
C2B7B6B1296.6°96.6°
C2B7B12B1199.0°99.0°
C2B7B11B1057.8°57.8°
C2B7B12B1061.9°61.9°
C2B7B12B95.0°5.0°
C2B7B8B12130.6°130.6°
C2B7B8B1196.3°96.3°
B7C2B3B463.6°63.6°
B7C2B3B90.9°0.9°
C2B7B11B53.7°3.7°
B7C2B6B3109.1°109.1°
C2B7B8B996.2°96.2°
B7C2C1B471.3°71.3°
B8C2B6B111.6°1.6°
B8C2B6B569.5°69.5°
C2B8B12B115.8°5.8°
C2B8B12B1060.3°60.3°
C2B8B9B1299.0°99.0°
C2B8B12B362.5°62.5°
C2B8B9B40.7°0.7°
C2B8B3B4100.7°100.7°
C2B8B3B9138.5°138.5°
B8C2B6B369.1°69.1°
B8C2C1B44.2°4.2°
C2B8B9B1062.7°62.7°
C3SO1O2114.9°114.9°
C3SO1N116.2°116.2°
C3SO2N112.4°112.4°
SC3H2H3112.3°112.3°
C3SNH4180.0°180.0°
C3SNH560.0°60.0°
SC3C1B4151.7°151.7°
O1SO2N129.4°129.4°
O1SC3H2174.1°174.1°
O1SC3H358.6°58.6°
O1SNH461.4°61.4°
O1SNH5178.6°178.6°
O2SC3H264.1°64.1°
O2SC3H3179.6°179.6°
O2SNH468.7°68.7°
O2SNH551.2°51.2°
NSC3H253.1°53.1°
NSC3H362.4°62.4°
SNH4H5120.0°120.0°
B11B6B5B738.4°38.4°
B11B6B5C2101.5°101.5°
B6B11B12B1099.1°99.1°
B6B11B12B563.1°63.1°
B6B11B12B741.3°41.3°
B6B11B10B537.0°37.0°
B6B11B10B764.1°64.1°
B6B11B12B962.0°62.0°
B6B11B12B85.0°5.0°
B11B6B7B898.4°98.4°
B6B11B10B42.9°2.9°
B11B6C2B367.5°67.5°
B11B6B5B498.3°98.3°
B11B6C1B46.4°6.4°
B6B11B10B966.1°66.1°
B6B5B10B4103.7°103.7°
B6B5B10B122.3°2.3°
B5B6B7B859.4°59.4°
B6B5B4B956.5°56.5°
B6B5B4B34.6°4.6°
B5B6C2B30.4°0.4°
B5B6B7B120.9°0.9°
B6B5B10B965.3°65.3°
B7B6B5B102.1°2.1°
B6B7B12B100.6°0.6°
B6B7B12B966.3°66.3°
B6B7B8B1292.9°92.9°
B6B7B8B32.2°2.2°
B6B7B8B958.4°58.4°
B7B6B5B459.9°59.9°
B7B6C1B472.8°72.8°
B12B11B10B5137.9°137.9°
B12B11B10B736.8°36.8°
B11B12B10B9140.5°140.5°
B11B12B10B8101.4°101.4°
B11B12B9B8101.2°101.2°
B11B12B9B766.9°66.9°
B11B12B8B737.3°37.3°
B12B11B10B498.0°98.0°
B11B12B9B42.4°2.4°
B11B12B9B361.0°61.0°
B12B11B5B764.9°64.9°
B12B11B6C22.1°2.1°
B11B12B8B368.3°68.3°
B12B11B5B40.6°0.6°
B11B10B5B4138.2°138.2°
B11B10B5B999.8°99.8°
B10B11B7B81.4°1.4°
B11B10B4B996.8°96.8°
B11B10B4B357.6°57.6°
B11B10B9B366.7°66.7°
B10B11B5B7102.4°102.4°
B10B11B6C265.7°65.7°
B11B10B9B81.8°1.8°
B11B10B4C10.7°0.7°
B5B10B12B466.5°66.5°
B5B10B12B9101.4°101.4°
B5B10B12B862.3°62.3°
B5B10B4B9136.9°136.9°
B10B5B4B3100.1°100.1°
B5B10B9B30.0°0.0°
B10B5B6C265.1°65.1°
B5B10B12B72.0°2.0°
B5B10B9B864.9°64.9°
B10B12B9B8138.3°138.3°
B10B12B9B7103.9°103.9°
B10B12B8B7103.4°103.4°
B12B10B4B934.9°34.9°
B12B10B4B34.3°4.3°
B10B12B9B398.0°98.0°
B10B12B8B32.2°2.2°
B12B10B4C161.2°61.2°
B9B12B8B7142.4°142.4°
B12B9B4B399.9°99.9°
B12B9B4B861.8°61.8°
B12B9B3B838.3°38.3°
B9B12B11B51.1°1.1°
B12B9B3C24.0°4.0°
B12B9B4B52.7°2.7°
B12B9B4C160.3°60.3°
B12B8B7B395.1°95.1°
B8B12B10B44.2°4.2°
B12B8B3B40.6°0.6°
B8B12B11B568.1°68.1°
B12B8C2B64.5°4.5°
B7B8B9B463.1°63.1°
B7B8B3B465.2°65.2°
B7B8B3B9102.9°102.9°
B8B7B11B562.8°62.8°
B7B8B9B101.0°1.0°
B10B4B9B3134.6°134.6°
B10B4B9C194.9°94.9°
B4B10B11B761.2°61.2°
B10B4B3C256.1°56.1°
B10B4B3B83.0°3.0°
B4B10B12B768.4°68.4°
B4B10B9B8104.8°104.8°
B9B4B3B5101.3°101.3°
B4B9B3B8139.2°139.2°
B9B4B5B112.1°2.1°
B4B9B3C2104.9°104.9°
B4B9B12B769.3°69.3°
B3B4B5B1163.1°63.1°
B4B3C2B62.6°2.6°
B9B3C2B667.1°67.1°
B3B9B12B75.9°5.9°
B3B9B8B1099.4°99.4°
H2C3C1B429.4°29.4°
H3C3C1B486.1°86.1°
B6C2B8B966.7°66.7°
C2B6B5B43.1°3.1°
B11B7C2B360.8°60.8°
B11B7B8B360.8°60.8°
B11B7B8B90.2°0.2°
B7B11B5B465.5°65.5°
B7B11B10B92.0°2.0°
B3C2B7B122.5°2.5°
C2B3B4B54.4°4.4°
C2B3B9B1065.7°65.7°
B8B3B4B563.4°63.4°
B8B9B4B559.1°59.1°
B8B9B4C11.5°1.5°

248636

PDB entries from 2026-02-04

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