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BTB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1sing1.43Å1.41Å
C1C2sing1.53Å1.59Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.12Å
O1HO1sing0.97Å0.95Å
C2C3sing1.53Å1.56Å
C2C4sing1.53Å1.56Å
C2Nsing1.47Å1.65Å
C3O3sing1.43Å1.42Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.11Å
O3HO3sing0.97Å0.95Å
C4O4sing1.43Å1.42Å
C4H41sing1.09Å1.11Å
C4H42sing1.09Å1.12Å
O4HO4sing0.97Å0.95Å
NC5sing1.47Å1.56Å
NC7sing1.47Å1.55Å
C5C6sing1.53Å1.55Å
C5H51sing1.09Å1.12Å
C5H52sing1.09Å1.11Å
C6O6sing1.43Å1.42Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.11Å
O6HO6sing0.97Å0.95Å
C7C8sing1.53Å1.52Å
C7H71sing1.09Å1.11Å
C7H72sing1.09Å1.12Å
C8O8sing1.43Å1.42Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.12Å
O8HO8sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1C2110.9°109.5°
O1C1H11111.7°109.5°
O1C1H12111.7°109.5°
C1O1HO1110.9°106.8°
C2C1H11111.6°109.4°
C2C1H12111.7°109.5°
C1C2C3111.0°109.4°
C1C2C4111.0°109.4°
C1C2N110.0°109.5°
H11C1H1298.7°109.5°
C3C2C4108.9°109.5°
C3C2N108.0°109.5°
C2C3O3110.8°109.4°
C2C3H31111.7°109.5°
C2C3H32111.7°109.5°
C4C2N107.8°109.5°
C2C4O4110.8°109.5°
C2C4H41111.7°109.5°
C2C4H42111.7°109.5°
C2NC5109.9°106.8°
C2NC7108.9°106.7°
O3C3H31111.7°109.4°
O3C3H32111.8°109.5°
C3O3HO3110.8°106.9°
H31C3H3298.7°109.5°
O4C4H41111.7°109.5°
O4C4H42111.7°109.4°
C4O4HO4110.8°106.8°
H41C4H4298.6°109.4°
C5NC7108.1°106.7°
NC5C6108.8°109.5°
NC5H51112.5°109.5°
NC5H52112.5°109.5°
NC7C8107.7°109.5°
NC7H71112.9°109.5°
NC7H72112.9°109.4°
C6C5H51112.5°109.4°
C6C5H52112.5°109.4°
C5C6O6112.2°109.5°
C5C6H61111.1°109.4°
C5C6H62111.2°109.5°
H51C5H5297.9°109.5°
O6C6H61111.2°109.5°
O6C6H62111.2°109.5°
C6O6HO6112.3°106.8°
H61C6H6299.2°109.5°
C8C7H71112.9°109.5°
C8C7H72112.9°109.5°
C7C8O8110.2°109.4°
C7C8H81111.9°109.5°
C7C8H82111.9°109.5°
H71C7H7297.5°109.5°
O8C8H81112.0°109.4°
O8C8H82112.0°109.4°
C8O8HO8110.2°106.8°
H81C8H8298.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2H11125.3°120.0°
O1C1C2H12125.3°120.0°
O1C1H11H12117.6°120.0°
O1C1C2C359.2°179.1°
O1C1C2C462.1°61.0°
O1C1C2N178.6°59.0°
C2C1H11H12117.6°120.0°
C2C1O1HO1180.0°179.9°
C1C2C3C4122.5°119.9°
C1C2C3N120.7°120.0°
C1C2C4N120.6°120.0°
C1C2C3O3167.3°172.8°
C1C2C3H3142.1°52.9°
C1C2C3H3267.4°67.2°
C1C2C4O4160.8°63.1°
C1C2C4H4173.9°57.0°
C1C2C4H4235.6°176.9°
C1C2NC562.5°34.9°
C1C2NC755.8°79.0°
H11C1O1HO154.7°60.0°
H11C1C2C3175.6°59.1°
H11C1C2C463.2°179.0°
H11C1C2N56.1°61.0°
H12C1O1HO154.7°60.1°
H12C1C2C366.1°60.9°
H12C1C2C4172.6°59.0°
H12C1C2N53.3°179.0°
C3C2C4N116.9°120.1°
C2C3O3H31125.2°120.0°
C2C3O3H32125.3°120.0°
C2C3H31H32117.6°120.1°
C2C3O3HO3180.0°180.0°
C3C2C4O476.6°176.9°
C3C2C4H4148.7°63.0°
C3C2C4H42158.1°57.0°
C3C2NC558.8°85.1°
C3C2NC7177.0°161.1°
C4C2C3O370.2°52.9°
C4C2C3H31164.6°67.0°
C4C2C3H3255.1°172.9°
C2C4O4H41125.3°120.1°
C2C4O4H42125.3°120.0°
C2C4H41H42117.6°120.0°
C2C4O4HO4180.0°175.2°
C4C2NC5176.3°154.8°
C4C2NC765.5°41.0°
NC2C3O346.6°67.2°
NC2C3H3178.6°172.9°
NC2C3H32171.9°52.8°
NC2C4O440.3°56.8°
NC2C4H41165.6°176.9°
NC2C4H4285.0°63.1°
C2NC5C7118.8°113.9°
C2NC5C699.3°72.7°
C2NC5H51135.4°167.3°
C2NC5H5226.0°47.3°
C2NC7C8155.9°83.2°
C2NC7H7130.6°156.7°
C2NC7H7278.8°36.8°
O3C3H31H32117.7°120.0°
H31C3O3HO354.7°60.1°
H32C3O3HO354.8°60.0°
O4C4H41H42117.6°119.9°
H41C4O4HO454.7°64.7°
H42C4O4HO454.7°55.2°
NC5C6H51125.3°120.1°
NC5C6H52125.3°120.0°
NC5H51H52118.4°120.0°
NC5C6O640.9°86.3°
NC5C6H61166.2°33.6°
NC5C6H6284.4°153.7°
C5NC7C884.7°162.9°
C5NC7H71150.0°42.9°
C5NC7H7240.6°77.1°
C7NC5C6141.9°173.5°
C7NC5H5116.6°53.4°
C7NC5H5292.8°66.6°
NC7C8H71125.3°120.0°
NC7C8H72125.3°119.9°
NC7H71H72118.8°119.9°
NC7C8O843.4°75.6°
NC7C8H81168.7°164.5°
NC7C8H8281.9°44.4°
C6C5H51H52118.3°119.9°
C5C6O6H61125.2°119.9°
C5C6O6H62125.3°120.0°
C5C6H61H62117.1°120.0°
C5C6O6HO6180.0°174.9°
H51C5C6O684.4°153.6°
H51C5C6H6140.9°86.4°
H51C5C6H62150.4°33.6°
H52C5C6O6166.2°33.7°
H52C5C6H6168.5°153.6°
H52C5C6H6241.0°86.3°
O6C6H61H62117.1°120.1°
H61C6O6HO654.8°65.1°
H62C6O6HO654.8°54.9°
C8C7H71H72118.7°120.0°
C7C8O8H81125.3°120.0°
C7C8O8H82125.3°120.0°
C7C8H81H82117.8°120.1°
C7C8O8HO8180.0°180.0°
H71C7C8O881.9°44.5°
H71C7C8H8143.4°75.4°
H71C7C8H82152.8°164.4°
H72C7C8O8168.7°164.5°
H72C7C8H8166.0°44.6°
H72C7C8H8243.4°75.5°
O8C8H81H82117.8°119.9°
H81C8O8HO854.7°60.0°
H82C8O8HO854.7°60.0°

217705

PDB entries from 2024-03-27

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