OL8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | doub | 1.35Å | 1.33Å | Aromatic |
| C6 | O2 | sing | 1.34Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| O2 | C5 | sing | 1.35Å | 1.37Å | Aromatic |
| C8 | C5 | doub | 1.37Å | 1.35Å | Aromatic |
| C5 | C4 | sing | 1.47Å | 1.47Å | |
| O1 | C4 | doub | 1.22Å | 1.23Å | |
| C4 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C3 | sing | 1.40Å | 1.41Å | |
| C3 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| O3 | C12 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.40Å | 1.43Å | |
| C12 | N | sing | 1.34Å | 1.39Å | |
| C12 | C13 | sing | 1.48Å | 1.50Å | |
| N | C | sing | 1.35Å | 1.40Å | |
| C13 | C14 | doub | 1.34Å | 1.52Å | |
| C | C14 | sing | 1.48Å | 1.50Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | O2 | 110.7° | 108.7° |
| C6 | C7 | C8 | 106.9° | 107.1° |
| C7 | C6 | H3 | 124.6° | 125.7° |
| C6 | C7 | H4 | 126.5° | 126.4° |
| C6 | O2 | C5 | 106.1° | 109.4° |
| O2 | C6 | H3 | 124.7° | 125.6° |
| C7 | C8 | C5 | 106.4° | 106.7° |
| C8 | C7 | H4 | 126.6° | 126.5° |
| C7 | C8 | H5 | 126.8° | 126.6° |
| O2 | C5 | C8 | 109.9° | 108.1° |
| O2 | C5 | C4 | 118.0° | 126.0° |
| C8 | C5 | C4 | 132.1° | 125.9° |
| C5 | C8 | H5 | 126.8° | 126.7° |
| C5 | C4 | O1 | 121.0° | 120.0° |
| C5 | C4 | N1 | 114.5° | 120.0° |
| O1 | C4 | N1 | 124.5° | 120.0° |
| C4 | N1 | C3 | 128.1° | 120.0° |
| C4 | N1 | H2 | 115.9° | 120.0° |
| N1 | C3 | C9 | 121.4° | 120.0° |
| N1 | C3 | C2 | 118.7° | 120.0° |
| C3 | N1 | H2 | 115.9° | 120.0° |
| C9 | C3 | C2 | 119.9° | 119.9° |
| C3 | C9 | C10 | 119.9° | 120.1° |
| C3 | C9 | H6 | 120.1° | 120.0° |
| C3 | C2 | C1 | 119.9° | 119.9° |
| C3 | C2 | H1 | 120.0° | 120.0° |
| C9 | C10 | C11 | 120.5° | 120.1° |
| C10 | C9 | H6 | 120.1° | 119.9° |
| C9 | C10 | H7 | 119.7° | 119.9° |
| C2 | C1 | C11 | 120.1° | 120.0° |
| C2 | C1 | N | 119.5° | 120.0° |
| C1 | C2 | H1 | 120.0° | 120.1° |
| O3 | C12 | N | 123.5° | 125.8° |
| O3 | C12 | C13 | 127.8° | 125.8° |
| C10 | C11 | C1 | 119.6° | 120.1° |
| C11 | C10 | H7 | 119.7° | 120.0° |
| C10 | C11 | H8 | 120.2° | 119.9° |
| C11 | C1 | N | 120.3° | 120.0° |
| C1 | C11 | H8 | 120.2° | 120.0° |
| C1 | N | C12 | 123.8° | 125.3° |
| C1 | N | C | 124.0° | 125.2° |
| N | C12 | C13 | 108.8° | 108.5° |
| C12 | N | C | 112.1° | 109.6° |
| C12 | C13 | C14 | 105.1° | 106.8° |
| C12 | C13 | H9 | 127.4° | 126.7° |
| N | C | C14 | 108.2° | 108.4° |
| N | C | O | 123.7° | 125.8° |
| C13 | C14 | C | 105.7° | 106.8° |
| C14 | C13 | H9 | 127.4° | 126.5° |
| C13 | C14 | H10 | 127.1° | 126.6° |
| C14 | C | O | 128.1° | 125.8° |
| C | C14 | H10 | 127.1° | 126.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | O2 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C7 | C6 | O2 | C5 | 0.1° | 0.2° |
| C6 | C7 | C8 | C5 | 0.0° | 0.2° |
| C6 | C7 | C8 | H5 | 180.0° | 179.9° |
| O2 | C6 | C7 | C8 | 0.1° | 0.0° |
| C6 | O2 | C5 | C8 | 0.1° | 0.3° |
| C6 | O2 | C5 | C4 | 178.7° | 180.0° |
| O2 | C6 | C7 | H4 | 180.0° | 180.0° |
| C7 | C8 | C5 | O2 | 0.1° | 0.3° |
| C7 | C8 | C5 | H5 | 180.0° | 179.9° |
| C7 | C8 | C5 | C4 | 178.5° | 180.0° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| O2 | C5 | C8 | C4 | 178.6° | 179.7° |
| O2 | C5 | C4 | O1 | 2.1° | 179.7° |
| O2 | C5 | C4 | N1 | 177.6° | 0.4° |
| C5 | O2 | C6 | H3 | 179.9° | 179.8° |
| O2 | C5 | C8 | H5 | 179.9° | 179.8° |
| C8 | C5 | C4 | O1 | 179.4° | 0.0° |
| C8 | C5 | C4 | N1 | 0.9° | 180.0° |
| C5 | C8 | C7 | H4 | 179.9° | 179.8° |
| C5 | C4 | O1 | N1 | 179.7° | 180.0° |
| C5 | C4 | N1 | C3 | 177.6° | 174.7° |
| C5 | C4 | N1 | H2 | 2.4° | 5.3° |
| C4 | C5 | C8 | H5 | 1.5° | 0.1° |
| O1 | C4 | N1 | C3 | 2.2° | 5.2° |
| O1 | C4 | N1 | H2 | 177.8° | 174.7° |
| C4 | N1 | C3 | H2 | 180.0° | 180.0° |
| C4 | N1 | C3 | C9 | 43.5° | 33.4° |
| C4 | N1 | C3 | C2 | 138.6° | 146.6° |
| N1 | C3 | C9 | C2 | 177.9° | 180.0° |
| N1 | C3 | C9 | C10 | 177.6° | 180.0° |
| N1 | C3 | C2 | C1 | 176.6° | 179.9° |
| N1 | C3 | C2 | H1 | 3.4° | 0.3° |
| N1 | C3 | C9 | H6 | 2.4° | 0.0° |
| C3 | C9 | C10 | H6 | 180.0° | 180.0° |
| C9 | C3 | C2 | C1 | 1.4° | 0.0° |
| C3 | C9 | C10 | C11 | 0.4° | 0.3° |
| C9 | C3 | C2 | H1 | 178.6° | 179.7° |
| C9 | C3 | N1 | H2 | 136.5° | 146.6° |
| C3 | C9 | C10 | H7 | 179.6° | 180.0° |
| C2 | C3 | C9 | C10 | 0.3° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C2 | C1 | C11 | 1.8° | 0.2° |
| C3 | C2 | C1 | N | 175.4° | 179.7° |
| C2 | C3 | N1 | H2 | 41.5° | 33.3° |
| C2 | C3 | C9 | H6 | 179.7° | 180.0° |
| C9 | C10 | C11 | H7 | 180.0° | 179.7° |
| C9 | C10 | C11 | C1 | 0.0° | 0.6° |
| C9 | C10 | C11 | H8 | 180.0° | 180.0° |
| C2 | C1 | C11 | C10 | 1.1° | 0.5° |
| C2 | C1 | C11 | N | 177.2° | 179.9° |
| C2 | C1 | N | C12 | 52.3° | 0.4° |
| C2 | C1 | N | C | 126.6° | 180.0° |
| C2 | C1 | C11 | H8 | 178.9° | 180.0° |
| O3 | C12 | N | C1 | 1.3° | 0.1° |
| O3 | C12 | N | C13 | 179.9° | 179.9° |
| O3 | C12 | N | C | 179.7° | 179.8° |
| O3 | C12 | C13 | C14 | 179.8° | 179.9° |
| O3 | C12 | C13 | H9 | 0.2° | 0.1° |
| C10 | C11 | C1 | H8 | 180.0° | 179.5° |
| C10 | C11 | C1 | N | 176.1° | 179.4° |
| C11 | C10 | C9 | H6 | 179.6° | 179.7° |
| C11 | C1 | N | C12 | 130.5° | 179.7° |
| C11 | C1 | N | C | 50.6° | 0.1° |
| C11 | C1 | C2 | H1 | 178.2° | 180.0° |
| C1 | C11 | C10 | H7 | 180.0° | 179.7° |
| C1 | N | C12 | C | 179.0° | 179.7° |
| C1 | N | C12 | C13 | 178.8° | 180.0° |
| C1 | N | C | C14 | 178.8° | 180.0° |
| C1 | N | C | O | 0.9° | 0.0° |
| N | C1 | C2 | H1 | 4.6° | 0.0° |
| N | C1 | C11 | H8 | 3.9° | 0.1° |
| N | C12 | C13 | C14 | 0.1° | 0.2° |
| C12 | N | C | C14 | 0.2° | 0.3° |
| C12 | N | C | O | 179.9° | 179.7° |
| N | C12 | C13 | H9 | 179.9° | 180.0° |
| C13 | C12 | N | C | 0.2° | 0.3° |
| C12 | C13 | C14 | H9 | 180.0° | 179.7° |
| C12 | C13 | C14 | C | 0.0° | 0.0° |
| C12 | C13 | C14 | H10 | 180.0° | 179.8° |
| N | C | C14 | C13 | 0.1° | 0.1° |
| N | C | C14 | O | 179.7° | 179.9° |
| N | C | C14 | H10 | 179.9° | 180.0° |
| C13 | C14 | C | H10 | 180.0° | 179.8° |
| C13 | C14 | C | O | 179.8° | 179.8° |
| C | C14 | C13 | H9 | 180.0° | 179.8° |
| O | C | C14 | H10 | 0.2° | 0.0° |
| H3 | C6 | C7 | H4 | 0.0° | 0.0° |
| H4 | C7 | C8 | H5 | 0.1° | 0.1° |
| H6 | C9 | C10 | H7 | 0.4° | 0.0° |
| H7 | C10 | C11 | H8 | 0.0° | 0.3° |
| H9 | C13 | C14 | H10 | 0.0° | 0.0° |
