OQH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| O1 | C5 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | sing | 1.47Å | 1.49Å | |
| C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | O | doub | 1.21Å | 1.23Å | |
| C2 | N | sing | 1.35Å | 1.33Å | |
| N | C1 | sing | 1.46Å | 1.46Å | |
| C1 | C | sing | 1.53Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 120.3° | 120.2° |
| C10 | C11 | C6 | 120.5° | 119.8° |
| C11 | C10 | H10 | 119.8° | 119.9° |
| C10 | C11 | H11 | 119.8° | 120.1° |
| C10 | C9 | C8 | 119.8° | 120.3° |
| C10 | C9 | H8 | 120.1° | 119.8° |
| C9 | C10 | H10 | 119.9° | 119.9° |
| C11 | C6 | C5 | 120.1° | 120.2° |
| C11 | C6 | C7 | 118.6° | 119.7° |
| C6 | C11 | H11 | 119.7° | 120.1° |
| C9 | C8 | C7 | 120.3° | 120.2° |
| C8 | C9 | H8 | 120.1° | 119.8° |
| C9 | C8 | H9 | 119.9° | 119.9° |
| O1 | C5 | C6 | 120.9° | 120.0° |
| O1 | C5 | C4 | 120.0° | 120.1° |
| C5 | C6 | C7 | 121.3° | 120.2° |
| C6 | C5 | C4 | 119.1° | 120.0° |
| C6 | C7 | C8 | 120.4° | 119.8° |
| C6 | C7 | H7 | 119.8° | 120.0° |
| C8 | C7 | H7 | 119.8° | 120.1° |
| C7 | C8 | H9 | 119.8° | 119.9° |
| C5 | C4 | C3 | 111.8° | 109.4° |
| C5 | C4 | H5 | 108.9° | 109.5° |
| C5 | C4 | H6 | 108.9° | 109.5° |
| C4 | C3 | C2 | 111.8° | 109.5° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C4 | C3 | H4 | 108.9° | 109.5° |
| C3 | C4 | H5 | 108.9° | 109.4° |
| C3 | C4 | H6 | 108.9° | 109.5° |
| C3 | C2 | O | 121.1° | 120.0° |
| C3 | C2 | N | 115.9° | 120.0° |
| C2 | C3 | H3 | 108.9° | 109.4° |
| C2 | C3 | H4 | 108.9° | 109.5° |
| O | C2 | N | 123.0° | 120.0° |
| C2 | N | C1 | 123.0° | 120.0° |
| C2 | N | H12 | 118.5° | 120.0° |
| N | C1 | C | 111.1° | 109.5° |
| N | C1 | H1 | 109.1° | 109.5° |
| N | C1 | H2 | 109.1° | 109.6° |
| C1 | N | H12 | 118.5° | 120.0° |
| C | C1 | H1 | 109.1° | 109.4° |
| C | C1 | H2 | 109.1° | 109.4° |
| C1 | C | H13 | 109.5° | 109.4° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H13 | C | H14 | 109.4° | 109.6° |
| H13 | C | H15 | 109.5° | 109.4° |
| H14 | C | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C10 | C11 | C6 | H11 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.3° | 0.2° |
| C10 | C11 | C6 | C5 | 178.9° | 180.0° |
| C10 | C11 | C6 | C7 | 0.4° | 0.3° |
| C11 | C10 | C9 | H8 | 179.7° | 180.0° |
| C9 | C10 | C11 | C6 | 0.0° | 0.0° |
| C10 | C9 | C8 | H8 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 0.3° | 0.3° |
| C10 | C9 | C8 | H9 | 179.8° | 179.8° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C11 | C6 | C5 | O1 | 0.9° | 179.7° |
| C11 | C6 | C5 | C7 | 179.2° | 179.8° |
| C11 | C6 | C7 | C8 | 0.4° | 0.2° |
| C11 | C6 | C5 | C4 | 177.9° | 0.2° |
| C11 | C6 | C7 | H7 | 179.6° | 179.8° |
| C6 | C11 | C10 | H10 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.0° |
| C9 | C8 | C7 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | H7 | 179.9° | 180.0° |
| C8 | C9 | C10 | H10 | 179.7° | 179.7° |
| O1 | C5 | C6 | C4 | 178.7° | 179.9° |
| O1 | C5 | C6 | C7 | 178.3° | 0.1° |
| O1 | C5 | C4 | C3 | 21.2° | 0.0° |
| O1 | C5 | C4 | H5 | 99.1° | 119.9° |
| O1 | C5 | C4 | H6 | 141.6° | 120.0° |
| C5 | C6 | C7 | C8 | 178.8° | 180.0° |
| C6 | C5 | C4 | C3 | 157.5° | 180.0° |
| C6 | C5 | C4 | H5 | 82.2° | 60.0° |
| C6 | C5 | C4 | H6 | 37.2° | 60.1° |
| C5 | C6 | C7 | H7 | 1.2° | 0.0° |
| C5 | C6 | C11 | H11 | 1.1° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 2.9° | 180.0° |
| C6 | C7 | C8 | H9 | 179.8° | 180.0° |
| C7 | C6 | C11 | H11 | 179.6° | 179.8° |
| C7 | C8 | C9 | H8 | 179.8° | 180.0° |
| C5 | C4 | C3 | H5 | 120.3° | 120.0° |
| C5 | C4 | C3 | H6 | 120.3° | 120.0° |
| C5 | C4 | C3 | C2 | 57.3° | 180.0° |
| C5 | C4 | C3 | H3 | 63.1° | 60.0° |
| C5 | C4 | C3 | H4 | 177.6° | 60.0° |
| C5 | C4 | H5 | H6 | 118.9° | 120.1° |
| C4 | C3 | C2 | H3 | 120.4° | 120.0° |
| C4 | C3 | C2 | H4 | 120.3° | 120.0° |
| C4 | C3 | C2 | O | 7.0° | 0.1° |
| C4 | C3 | C2 | N | 172.5° | 180.0° |
| C4 | C3 | H3 | H4 | 118.9° | 120.0° |
| C3 | C4 | H5 | H6 | 119.0° | 120.0° |
| C3 | C2 | O | N | 179.4° | 179.9° |
| C3 | C2 | N | C1 | 179.3° | 180.0° |
| C2 | C3 | H3 | H4 | 119.0° | 120.1° |
| C2 | C3 | C4 | H5 | 177.7° | 60.0° |
| C2 | C3 | C4 | H6 | 63.0° | 60.0° |
| C3 | C2 | N | H12 | 0.7° | 0.0° |
| O | C2 | N | C1 | 1.2° | 0.0° |
| O | C2 | C3 | H3 | 127.3° | 120.0° |
| O | C2 | C3 | H4 | 113.4° | 119.9° |
| O | C2 | N | H12 | 178.7° | 179.9° |
| C2 | N | C1 | H12 | 180.0° | 180.0° |
| C2 | N | C1 | C | 101.1° | 180.0° |
| C2 | N | C1 | H1 | 19.1° | 60.0° |
| C2 | N | C1 | H2 | 138.7° | 60.0° |
| N | C2 | C3 | H3 | 52.1° | 60.1° |
| N | C2 | C3 | H4 | 67.2° | 60.0° |
| N | C1 | C | H1 | 120.2° | 120.0° |
| N | C1 | C | H2 | 120.3° | 120.1° |
| N | C1 | H1 | H2 | 119.3° | 120.1° |
| N | C1 | C | H13 | 180.0° | 179.9° |
| N | C1 | C | H14 | 60.0° | 60.0° |
| N | C1 | C | H15 | 60.0° | 60.0° |
| C | C1 | H1 | H2 | 119.3° | 119.9° |
| C | C1 | N | H12 | 78.9° | 0.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 119.9° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| H1 | C1 | N | H12 | 160.9° | 120.0° |
| H1 | C1 | C | H13 | 59.8° | 60.0° |
| H1 | C1 | C | H14 | 179.8° | 180.0° |
| H1 | C1 | C | H15 | 60.3° | 60.0° |
| H2 | C1 | N | H12 | 41.3° | 120.0° |
| H2 | C1 | C | H13 | 59.7° | 60.0° |
| H2 | C1 | C | H14 | 60.2° | 60.1° |
| H2 | C1 | C | H15 | 179.8° | 179.9° |
| H3 | C3 | C4 | H5 | 57.3° | 180.0° |
| H3 | C3 | C4 | H6 | 176.6° | 60.0° |
| H4 | C3 | C4 | H5 | 62.0° | 60.0° |
| H4 | C3 | C4 | H6 | 57.3° | NaN° |
| H7 | C7 | C8 | H9 | 0.2° | 0.0° |
| H8 | C9 | C8 | H9 | 0.2° | 0.0° |
| H8 | C9 | C10 | H10 | 0.3° | 0.0° |
| H10 | C10 | C11 | H11 | 0.0° | 0.0° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
