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TMT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S1C2sing1.74Å1.71ÅAromatic
S1C5sing1.79Å1.73ÅAromatic
C2N3doub1.31Å1.34ÅAromatic
C2C6sing1.51Å1.49Å
N3C4sing1.32Å1.40ÅAromatic
N3C7sing1.47Å1.48Å
C4C5doub1.36Å1.36ÅAromatic
C4C8sing1.51Å1.50Å
C5H5sing1.08Å1.10Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.11Å
C6H63sing1.09Å1.11Å
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.12Å
C7H73sing1.09Å1.11Å
C8H81sing1.09Å1.11Å
C8H82sing1.09Å1.12Å
C8H83sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2S1C591.3°97.4°
S1C2N3111.1°102.2°
S1C2C6123.3°128.9°
S1C5C4111.7°100.6°
S1C5H5134.1°129.7°
N3C2C6125.7°129.0°
C2N3C4114.9°121.5°
C2N3C7123.6°119.3°
C2C6H61123.3°109.5°
C2C6H62107.3°109.5°
C2C6H63107.4°109.4°
C4N3C7121.5°119.2°
N3C4C5111.1°118.4°
N3C4C8121.4°120.8°
N3C7H71123.6°109.5°
N3C7H72107.2°109.4°
N3C7H73107.2°109.5°
C5C4C8127.5°120.8°
C4C5H5114.2°129.7°
C4C8H81121.4°109.5°
C4C8H82108.0°109.5°
C4C8H83108.0°109.4°
H61C6H62107.3°109.4°
H61C6H63107.3°109.5°
H62C6H63102.4°109.5°
H71C7H72107.1°109.4°
H71C7H73107.2°109.5°
H72C7H73102.5°109.5°
H81C8H82107.9°109.5°
H81C8H83108.0°109.5°
H82C8H83101.9°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S1C2N3C6179.9°179.8°
S1C2N3C40.2°0.5°
S1C2N3C7179.8°179.9°
C2S1C5C40.0°0.0°
C2S1C5H5179.9°180.0°
S1C2C6H61180.0°0.0°
S1C2C6H6254.7°120.0°
S1C2C6H6354.8°120.0°
C5S1C2N30.1°0.3°
C5S1C2C6179.9°180.0°
S1C5C4N30.0°0.2°
S1C5C4H5180.0°179.9°
S1C5C4C8179.9°180.0°
C2N3C4C7179.6°179.4°
C2N3C4C50.1°0.6°
C2N3C4C8180.0°179.7°
N3C2C6H610.1°179.7°
N3C2C6H62125.3°60.3°
N3C2C6H63125.2°59.7°
C2N3C7H71180.0°96.3°
C2N3C7H7254.8°23.6°
C2N3C7H7354.7°143.6°
C6C2N3C4179.9°179.7°
C6C2N3C70.3°0.3°
C2C6H61H62125.2°120.0°
C2C6H61H63125.3°120.0°
C2C6H62H63112.9°120.0°
N3C4C5C8179.9°179.7°
N3C4C5H5180.0°179.7°
C4N3C7H710.4°84.3°
C4N3C7H72124.8°155.8°
C4N3C7H73125.7°35.8°
N3C4C8H81180.0°83.9°
N3C4C8H8254.7°36.1°
N3C4C8H8354.7°156.1°
C7N3C4C5179.7°180.0°
C7N3C4C80.4°0.3°
N3C7H71H72125.3°119.9°
N3C7H71H73125.3°120.1°
N3C7H72H73112.7°120.0°
C5C4C8H810.1°95.8°
C5C4C8H82125.4°144.2°
C5C4C8H83125.2°24.2°
C8C4C5H50.1°0.1°
C4C8H81H82125.3°120.0°
C4C8H81H83125.3°120.0°
C4C8H82H83113.5°120.0°
H61C6H62H63112.8°120.0°
H71C7H72H73112.7°120.1°
H81C8H82H83113.5°120.0°

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PDB entries from 2026-02-04

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