ETY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | CG | sing | 1.51Å | 1.50Å | |
| CG | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| CG | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.37Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | CG | 113.8° | 109.4° |
| C7 | C8 | H81 | 109.5° | 109.5° |
| C7 | C8 | H82 | 109.4° | 109.5° |
| C7 | C8 | H83 | 109.5° | 109.5° |
| C8 | C7 | H71 | 108.1° | 109.5° |
| C8 | C7 | H72 | 107.1° | 109.4° |
| C7 | CG | C3 | 121.0° | 119.9° |
| C7 | CG | C5 | 120.7° | 119.9° |
| CG | C7 | H71 | 108.1° | 109.5° |
| CG | C7 | H72 | 107.1° | 109.5° |
| C3 | CG | C5 | 118.4° | 120.2° |
| CG | C3 | C2 | 121.1° | 120.1° |
| CG | C3 | H3 | 119.4° | 120.0° |
| CG | C5 | C6 | 120.9° | 120.0° |
| CG | C5 | H5 | 119.6° | 120.0° |
| C3 | C2 | C1 | 119.4° | 119.9° |
| C2 | C3 | H3 | 119.4° | 119.9° |
| C3 | C2 | H2 | 120.3° | 120.0° |
| C2 | C1 | C6 | 120.6° | 119.9° |
| C2 | C1 | O1 | 119.9° | 120.0° |
| C1 | C2 | H2 | 120.3° | 120.1° |
| C5 | C6 | C1 | 119.6° | 119.9° |
| C6 | C5 | H5 | 119.6° | 119.9° |
| C5 | C6 | H6 | 120.2° | 120.1° |
| C6 | C1 | O1 | 119.5° | 120.1° |
| C1 | C6 | H6 | 120.2° | 120.0° |
| C1 | O1 | HO1 | 109.5° | 113.9° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H81 | C8 | H83 | 109.4° | 109.5° |
| H82 | C8 | H83 | 109.5° | 109.4° |
| H71 | C7 | H72 | 112.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | CG | H71 | 120.0° | 120.0° |
| C8 | C7 | CG | H72 | 118.1° | 119.9° |
| C8 | C7 | CG | C3 | 85.4° | 90.0° |
| C8 | C7 | CG | C5 | 94.6° | 90.3° |
| C7 | C8 | H81 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H83 | 120.0° | 120.1° |
| C7 | C8 | H82 | H83 | 120.0° | 120.0° |
| C8 | C7 | H71 | H72 | 118.3° | 120.0° |
| C7 | CG | C3 | C5 | 180.0° | 179.7° |
| C7 | CG | C3 | C2 | 179.9° | 180.0° |
| C7 | CG | C5 | C6 | 179.9° | 179.9° |
| CG | C7 | C8 | H81 | 94.9° | 60.0° |
| CG | C7 | C8 | H82 | 25.1° | 180.0° |
| CG | C7 | C8 | H83 | 145.1° | 60.0° |
| CG | C7 | H71 | H72 | 118.2° | 120.1° |
| C7 | CG | C3 | H3 | 0.1° | 0.1° |
| C7 | CG | C5 | H5 | 0.1° | 0.0° |
| CG | C3 | C2 | H3 | 180.0° | 179.9° |
| CG | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | CG | C5 | C6 | 0.1° | 0.2° |
| C3 | CG | C7 | H71 | 34.6° | 29.9° |
| C3 | CG | C7 | H72 | 156.5° | 150.0° |
| CG | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | CG | C5 | H5 | 179.9° | 179.7° |
| C5 | CG | C3 | C2 | 0.1° | 0.3° |
| CG | C5 | C6 | H5 | 180.0° | 179.9° |
| CG | C5 | C6 | C1 | 0.1° | 0.1° |
| C5 | CG | C7 | H71 | 145.4° | 149.8° |
| C5 | CG | C7 | H72 | 23.5° | 29.7° |
| C5 | CG | C3 | H3 | 179.9° | 179.8° |
| CG | C5 | C6 | H6 | 179.9° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.1° | 0.2° |
| C3 | C2 | C1 | O1 | 179.8° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.3° |
| C2 | C1 | C6 | O1 | 179.8° | 179.8° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | H6 | 180.0° | 179.8° |
| C2 | C1 | O1 | HO1 | 29.9° | 90.0° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | O1 | 179.8° | 179.9° |
| C6 | C1 | C2 | H2 | 180.0° | 179.7° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C1 | O1 | HO1 | 150.3° | 89.8° |
| O1 | C1 | C2 | H2 | 0.2° | 0.1° |
| O1 | C1 | C6 | H6 | 0.2° | 0.0° |
| H81 | C8 | H82 | H83 | 120.0° | 120.0° |
| H81 | C8 | C7 | H71 | 25.1° | 180.0° |
| H81 | C8 | C7 | H72 | 147.0° | 60.0° |
| H82 | C8 | C7 | H71 | 145.1° | 60.0° |
| H82 | C8 | C7 | H72 | 93.0° | 60.1° |
| H83 | C8 | C7 | H71 | 94.9° | 59.9° |
| H83 | C8 | C7 | H72 | 27.0° | 180.0° |
| H3 | C3 | C2 | H2 | 0.1° | 0.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |






