OCH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| N2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| N2 | C1 | sing | 1.34Å | 1.46Å | Aromatic |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C3 | C4 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | C8 | doub | 1.41Å | 1.46Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.37Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.46Å | 1.49Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.34Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C1 | sing | 1.41Å | 1.55Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N2 | 119.7° | 119.2° |
| O1 | C1 | C10 | 125.7° | 119.1° |
| C3 | N2 | C1 | 124.4° | 121.0° |
| C3 | N2 | HN2 | 116.4° | 119.5° |
| N2 | C3 | C4 | 121.1° | 121.0° |
| N2 | C3 | C8 | 118.4° | 119.6° |
| C1 | N2 | HN2 | 119.2° | 119.5° |
| N2 | C1 | C10 | 114.6° | 121.7° |
| C4 | C3 | C8 | 120.5° | 119.4° |
| C3 | C4 | C5 | 118.3° | 119.8° |
| C3 | C4 | H4 | 122.5° | 120.1° |
| C3 | C8 | C7 | 118.6° | 119.8° |
| C3 | C8 | C9 | 119.4° | 119.0° |
| C5 | C4 | H4 | 119.2° | 120.1° |
| C4 | C5 | C6 | 120.9° | 120.7° |
| C4 | C5 | H5 | 118.3° | 119.6° |
| C6 | C5 | H5 | 120.8° | 119.7° |
| C5 | C6 | C7 | 121.0° | 120.6° |
| C5 | C6 | H6 | 120.8° | 119.7° |
| C7 | C6 | H6 | 118.2° | 119.7° |
| C6 | C7 | C8 | 120.8° | 119.7° |
| C6 | C7 | H7 | 119.4° | 120.2° |
| C8 | C7 | H7 | 119.9° | 120.1° |
| C7 | C8 | C9 | 122.0° | 121.2° |
| C8 | C9 | C10 | 121.3° | 118.5° |
| C8 | C9 | H9 | 124.8° | 120.7° |
| C10 | C9 | H9 | 113.9° | 120.7° |
| C9 | C10 | C1 | 121.8° | 120.2° |
| C9 | C10 | H10 | 111.7° | 119.9° |
| C1 | C10 | H10 | 126.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N2 | C3 | 179.8° | 180.0° |
| O1 | C1 | N2 | C10 | 179.8° | 179.7° |
| O1 | C1 | N2 | HN2 | 0.1° | 0.0° |
| O1 | C1 | C10 | C9 | 179.8° | 179.8° |
| O1 | C1 | C10 | H10 | 0.2° | 0.2° |
| C3 | N2 | C1 | HN2 | 179.9° | 180.0° |
| N2 | C3 | C4 | C8 | 179.5° | 180.0° |
| N2 | C3 | C4 | C5 | 179.7° | 180.0° |
| N2 | C3 | C4 | H4 | 0.2° | 0.1° |
| N2 | C3 | C8 | C7 | 179.8° | 180.0° |
| N2 | C3 | C8 | C9 | 0.4° | 0.0° |
| C3 | N2 | C1 | C10 | 0.0° | 0.3° |
| C1 | N2 | C3 | C4 | 179.8° | 180.0° |
| C1 | N2 | C3 | C8 | 0.2° | 0.0° |
| N2 | C1 | C10 | C9 | 0.0° | 0.5° |
| N2 | C1 | C10 | H10 | 179.9° | 179.9° |
| HN2 | N2 | C3 | C4 | 0.2° | 0.0° |
| HN2 | N2 | C3 | C8 | 179.7° | 180.0° |
| HN2 | N2 | C1 | C10 | 179.9° | 179.8° |
| C3 | C4 | C5 | H4 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C3 | C8 | C7 | 0.3° | 0.1° |
| C4 | C3 | C8 | C9 | 180.0° | 180.0° |
| C8 | C3 | C4 | C5 | 0.2° | 0.0° |
| C8 | C3 | C4 | H4 | 179.8° | 179.9° |
| C3 | C8 | C7 | C6 | 0.4° | 0.1° |
| C3 | C8 | C7 | C9 | 179.8° | 179.9° |
| C3 | C8 | C7 | H7 | 179.7° | 179.9° |
| C3 | C8 | C9 | C10 | 0.4° | 0.3° |
| C3 | C8 | C9 | H9 | 179.6° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| H4 | C4 | C5 | C6 | 179.8° | 179.9° |
| H4 | C4 | C5 | H5 | 0.2° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.0° |
| C5 | C6 | C7 | H7 | 179.7° | 180.0° |
| H5 | C5 | C6 | C7 | 179.8° | 180.0° |
| H5 | C5 | C6 | H6 | 0.3° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 179.9° | 180.0° |
| H6 | C6 | C7 | C8 | 179.6° | 180.0° |
| H6 | C6 | C7 | H7 | 0.4° | 0.0° |
| C7 | C8 | C9 | C10 | 179.8° | 179.8° |
| C7 | C8 | C9 | H9 | 0.1° | 0.0° |
| H7 | C7 | C8 | C9 | 0.1° | 0.0° |
| C8 | C9 | C10 | H9 | 179.9° | 179.8° |
| C8 | C9 | C10 | C1 | 0.2° | 0.5° |
| C8 | C9 | C10 | H10 | 179.7° | 180.0° |
| C9 | C10 | C1 | H10 | 179.9° | 179.5° |
| H9 | C9 | C10 | C1 | 179.8° | 179.6° |
| H9 | C9 | C10 | H10 | 0.2° | 0.1° |
