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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C1trip1.14Å1.17Å
C1C2sing1.47Å1.47Å
C2C3sing1.53Å1.53Å
C3C4sing1.53Å1.52Å
C4C5sing1.53Å1.52Å
C5C6sing1.53Å1.53Å
C6C7sing1.53Å1.51Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C7H7Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C1C2169.8°179.9°
C1C2C3112.3°109.5°
C1C2H2108.5°109.5°
C1C2H2A107.9°109.5°
C2C3C4106.2°109.5°
C3C2H2108.6°109.5°
C3C2H2A107.9°109.5°
C2C3H3110.6°109.5°
C2C3H3A111.2°109.5°
C3C4C5113.3°109.5°
C4C3H3110.6°109.5°
C4C3H3A111.3°109.5°
C3C4H4108.2°109.5°
C3C4H4A107.4°109.5°
C4C5C6108.0°109.5°
C5C4H4108.2°109.5°
C5C4H4A107.3°109.5°
C4C5H5109.9°109.5°
C4C5H5A110.3°109.5°
C5C6C7110.5°109.5°
C6C5H5110.0°109.5°
C6C5H5A110.3°109.5°
C5C6H6109.2°109.5°
C5C6H6A108.9°109.5°
C7C6H6109.1°109.5°
C7C6H6A108.9°109.5°
C6C7H7109.5°109.5°
C6C7H7A109.5°109.5°
C6C7H7B109.5°109.5°
H2C2H2A111.7°109.5°
H3C3H3A107.0°109.4°
H4C4H4A112.5°109.5°
H5C5H5A108.4°109.5°
H6C6H6A110.3°109.4°
H7C7H7A109.5°109.5°
H7C7H7B109.4°109.5°
H7AC7H7B109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C1C2C3155.9°180.0°
N1C1C2H284.1°60.0°
N1C1C2H2A37.1°60.0°
C1C2C3H2120.0°120.0°
C1C2C3H2A118.8°120.0°
C1C2C3C429.9°180.0°
C1C2H2H2A118.8°120.0°
C1C2C3H3149.9°60.0°
C1C2C3H3A91.3°60.0°
C2C3C4H3120.0°120.0°
C2C3C4H3A121.2°120.0°
C2C3C4C5135.7°180.0°
C3C2H2H2A118.9°120.0°
C2C3H3H3A121.3°120.0°
C2C3C4H4104.3°60.0°
C2C3C4H4A17.4°60.0°
C3C4C5H4120.0°120.0°
C3C4C5H4A118.3°120.0°
C3C4C5C6159.2°180.0°
C4C3C2H290.0°60.0°
C4C3C2H2A148.8°60.0°
C4C3H3H3A121.3°120.0°
C3C4H4H4A118.5°120.0°
C3C4C5H580.8°60.0°
C3C4C5H5A38.7°60.0°
C4C5C6H5120.0°120.0°
C4C5C6H5A120.6°120.0°
C4C5C6C7115.2°180.0°
C5C4C3H315.7°60.0°
C5C4C3H3A103.1°60.0°
C5C4H4H4A118.4°120.0°
C4C5H5H5A120.6°120.0°
C4C5C6H6124.8°60.0°
C4C5C6H6A4.3°60.0°
C5C6C7H6120.0°120.0°
C5C6C7H6A119.6°120.0°
C6C5C4H439.2°60.0°
C6C5C4H4A82.4°60.0°
C6C5H5H5A120.6°120.0°
C5C6H6H6A119.6°120.0°
C5C6C7H732.1°60.0°
C5C6C7H7A87.9°60.0°
C5C6C7H7B152.1°180.0°
C7C6C5H54.8°60.0°
C7C6C5H5A124.2°60.0°
C7C6H6H6A119.5°120.0°
C6C7H7H7A120.0°120.0°
C6C7H7H7B120.0°120.0°
C6C7H7AH7B120.0°120.0°
H2C2C3H330.0°180.0°
H2C2C3H3A148.7°60.0°
H2AC2C3H391.3°60.0°
H2AC2C3H3A27.5°180.0°
H3C3C4H4135.7°180.0°
H3C3C4H4A102.6°60.0°
H3AC3C4H416.9°60.0°
H3AC3C4H4A138.6°180.0°
H4C4C5H5159.2°NaN°
H4C4C5H5A81.3°60.0°
H4AC4C5H537.6°60.0°
H4AC4C5H5A157.0°NaN°
H5C5C6H6115.2°180.0°
H5C5C6H6A124.3°60.0°
H5AC5C6H64.2°60.0°
H5AC5C6H6A116.2°180.0°
H6C6C7H7152.2°180.0°
H6C6C7H7A32.1°60.0°
H6C6C7H7B87.9°60.0°
H6AC6C7H787.4°60.0°
H6AC6C7H7A152.5°180.0°
H6AC6C7H7B32.5°60.0°
H7C7H7AH7B119.9°120.0°

225399

PDB entries from 2024-09-25

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