8MO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C7 | sing | 1.47Å | 1.45Å | Aromatic |
| C1 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C12 | sing | 1.41Å | 1.43Å | Aromatic |
| C2 | C3 | doub | 1.34Å | 1.33Å | Aromatic |
| C2 | O2 | sing | 1.34Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C9 | sing | 1.47Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | O3 | sing | 1.43Å | 1.41Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C4 | H43 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| C5 | O1 | sing | 1.34Å | 1.39Å | Aromatic |
| C5 | O4 | doub | 1.22Å | 1.18Å | |
| C6 | C7 | doub | 1.36Å | 1.35Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O2 | sing | 1.35Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.43Å | Aromatic |
| C11 | O3 | sing | 1.36Å | 1.38Å | |
| C12 | O1 | sing | 1.35Å | 1.41Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C1 | C8 | 122.8° | 120.7° |
| C7 | C1 | C12 | 116.9° | 119.0° |
| C1 | C7 | C6 | 122.3° | 118.2° |
| C1 | C7 | H7 | 122.3° | 120.9° |
| C8 | C1 | C12 | 120.2° | 120.3° |
| C1 | C8 | C9 | 118.4° | 119.4° |
| C1 | C8 | H8 | 120.2° | 120.3° |
| C1 | C12 | C11 | 122.2° | 119.9° |
| C1 | C12 | O1 | 119.4° | 119.7° |
| C3 | C2 | O2 | 112.9° | 110.2° |
| C3 | C2 | H2 | 121.7° | 124.9° |
| C2 | C3 | C9 | 106.8° | 106.2° |
| C2 | C3 | H3 | 124.1° | 126.9° |
| O2 | C2 | H2 | 125.5° | 124.9° |
| C2 | O2 | C10 | 104.9° | 111.0° |
| C9 | C3 | H3 | 129.1° | 126.8° |
| C3 | C9 | C8 | 135.1° | 134.1° |
| C3 | C9 | C10 | 105.5° | 105.4° |
| O3 | C4 | H41 | 109.2° | 109.5° |
| O3 | C4 | H42 | 117.8° | 109.5° |
| O3 | C4 | H43 | 109.2° | 109.5° |
| C4 | O3 | C11 | 117.8° | 106.8° |
| H41 | C4 | H42 | 109.2° | 109.5° |
| H41 | C4 | H43 | 100.9° | 109.5° |
| H42 | C4 | H43 | 109.2° | 109.4° |
| C6 | C5 | O1 | 117.6° | 121.8° |
| C6 | C5 | O4 | 125.5° | 119.1° |
| C5 | C6 | C7 | 120.8° | 119.8° |
| C5 | C6 | H6 | 122.8° | 120.1° |
| O1 | C5 | O4 | 116.8° | 119.1° |
| C5 | O1 | C12 | 122.9° | 121.5° |
| C7 | C6 | H6 | 116.4° | 120.1° |
| C6 | C7 | H7 | 115.4° | 120.9° |
| C9 | C8 | H8 | 121.3° | 120.3° |
| C8 | C9 | C10 | 119.4° | 120.5° |
| C9 | C10 | C11 | 123.9° | 119.9° |
| C9 | C10 | O2 | 109.9° | 107.1° |
| C11 | C10 | O2 | 126.2° | 133.0° |
| C10 | C11 | C12 | 115.8° | 120.0° |
| C10 | C11 | O3 | 123.3° | 120.0° |
| C12 | C11 | O3 | 120.9° | 120.0° |
| C11 | C12 | O1 | 118.4° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C1 | C8 | C12 | 179.9° | 179.8° |
| C1 | C7 | C6 | C5 | 0.1° | 0.0° |
| C1 | C7 | C6 | H7 | 180.0° | 179.9° |
| C1 | C7 | C6 | H6 | 179.9° | 180.0° |
| C7 | C1 | C8 | C9 | 179.9° | 180.0° |
| C7 | C1 | C8 | H8 | 0.1° | 0.1° |
| C7 | C1 | C12 | C11 | 179.9° | 179.7° |
| C7 | C1 | C12 | O1 | 0.1° | 0.4° |
| C1 | C8 | C9 | C3 | 180.0° | 180.0° |
| C8 | C1 | C7 | C6 | 179.8° | 180.0° |
| C8 | C1 | C7 | H7 | 0.2° | 0.1° |
| C1 | C8 | C9 | H8 | 180.0° | 179.9° |
| C1 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | C1 | C12 | C11 | 0.2° | 0.4° |
| C8 | C1 | C12 | O1 | 179.7° | 179.8° |
| C1 | C12 | O1 | C5 | 0.0° | 0.4° |
| C12 | C1 | C7 | C6 | 0.1° | 0.2° |
| C12 | C1 | C7 | H7 | 179.9° | 179.9° |
| C12 | C1 | C8 | C9 | 0.0° | 0.2° |
| C12 | C1 | C8 | H8 | 180.0° | 179.9° |
| C1 | C12 | C11 | C10 | 0.2° | 0.4° |
| C1 | C12 | C11 | O1 | 179.9° | 179.4° |
| C1 | C12 | C11 | O3 | 179.9° | 179.8° |
| C3 | C2 | O2 | H2 | 180.0° | 179.9° |
| C2 | C3 | C9 | H3 | 180.0° | 179.9° |
| C2 | C3 | C9 | C8 | 179.9° | 179.9° |
| C2 | C3 | C9 | C10 | 0.2° | 0.0° |
| C3 | C2 | O2 | C10 | 0.1° | 0.1° |
| O2 | C2 | C3 | C9 | 0.2° | 0.1° |
| O2 | C2 | C3 | H3 | 179.8° | 179.9° |
| C2 | O2 | C10 | C9 | 0.0° | 0.1° |
| C2 | O2 | C10 | C11 | 179.8° | 180.0° |
| H2 | C2 | C3 | C9 | 179.8° | 180.0° |
| H2 | C2 | C3 | H3 | 0.2° | 0.1° |
| H2 | C2 | O2 | C10 | 179.9° | 180.0° |
| C3 | C9 | C8 | C10 | 179.8° | 180.0° |
| C3 | C9 | C8 | H8 | 0.0° | 0.1° |
| C3 | C9 | C10 | C11 | 180.0° | 180.0° |
| C3 | C9 | C10 | O2 | 0.2° | 0.0° |
| H3 | C3 | C9 | C8 | 0.0° | 0.1° |
| H3 | C3 | C9 | C10 | 179.8° | 179.9° |
| O3 | C4 | H41 | H42 | 130.1° | 120.0° |
| O3 | C4 | H41 | H43 | 115.0° | 120.1° |
| O3 | C4 | H42 | H43 | 125.2° | 120.0° |
| C4 | O3 | C11 | C10 | 120.3° | 90.0° |
| C4 | O3 | C11 | C12 | 60.0° | 90.3° |
| H41 | C4 | H42 | H43 | 109.5° | 120.0° |
| H41 | C4 | O3 | C11 | 54.7° | 180.0° |
| H42 | C4 | O3 | C11 | 180.0° | 60.0° |
| H43 | C4 | O3 | C11 | 54.8° | 59.9° |
| C6 | C5 | O1 | O4 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | H7 | 179.9° | 179.9° |
| C6 | C5 | O1 | C12 | 0.2° | 0.2° |
| O1 | C5 | C6 | C7 | 0.2° | 0.0° |
| O1 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | O1 | C12 | C11 | 179.9° | 179.7° |
| O4 | C5 | C6 | C7 | 179.8° | 180.0° |
| O4 | C5 | C6 | H6 | 0.3° | 0.0° |
| O4 | C5 | O1 | C12 | 179.8° | 179.8° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C8 | C9 | C10 | O2 | 180.0° | 180.0° |
| H8 | C8 | C9 | C10 | 179.8° | 179.9° |
| C9 | C10 | C11 | O2 | 179.8° | 180.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.2° |
| C9 | C10 | C11 | O3 | 179.7° | 179.9° |
| C10 | C11 | C12 | O3 | 179.7° | 179.7° |
| C10 | C11 | C12 | O1 | 179.7° | 179.8° |
| O2 | C10 | C11 | C12 | 179.7° | 179.8° |
| O2 | C10 | C11 | O3 | 0.1° | 0.0° |
| O3 | C11 | C12 | O1 | 0.0° | 0.5° |
