A1DOZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.40Å | 1.42Å | |
| C2 | C3 | doub | 1.35Å | 1.33Å | |
| C3 | O2 | sing | 1.35Å | 1.33Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C12 | sing | 1.53Å | 1.53Å | |
| C1 | C12 | sing | 1.51Å | 1.50Å | |
| C6 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.1° | 119.7° |
| O1 | C1 | C12 | 120.5° | 119.7° |
| C1 | C2 | C3 | 121.2° | 121.7° |
| C2 | C1 | C12 | 117.4° | 120.5° |
| C1 | C2 | H1 | 119.4° | 119.1° |
| C2 | C3 | O2 | 121.7° | 119.4° |
| C2 | C3 | C4 | 123.3° | 121.2° |
| C3 | C2 | H1 | 119.4° | 119.2° |
| O2 | C3 | C4 | 114.9° | 119.4° |
| C3 | O2 | H2 | 109.5° | 117.0° |
| C3 | C4 | C5 | 112.3° | 109.5° |
| C3 | C4 | H3 | 108.8° | 109.5° |
| C3 | C4 | H4 | 108.8° | 109.5° |
| C4 | C5 | C6 | 110.1° | 109.6° |
| C4 | C5 | C12 | 110.1° | 109.0° |
| C5 | C4 | H3 | 108.8° | 109.5° |
| C5 | C4 | H4 | 108.8° | 109.5° |
| C4 | C5 | H5 | 107.4° | 109.6° |
| C5 | C6 | C7 | 121.6° | 120.0° |
| C6 | C5 | C12 | 114.3° | 109.6° |
| C5 | C6 | C11 | 120.3° | 120.0° |
| C6 | C5 | H5 | 107.4° | 109.6° |
| C6 | C7 | C8 | 120.8° | 120.0° |
| C7 | C6 | C11 | 118.0° | 120.0° |
| C6 | C7 | H6 | 119.6° | 120.0° |
| C7 | C8 | C9 | 120.3° | 120.0° |
| C8 | C7 | H6 | 119.6° | 120.0° |
| C7 | C8 | H7 | 119.8° | 120.0° |
| C8 | C9 | C10 | 119.8° | 120.0° |
| C9 | C8 | H7 | 119.9° | 120.0° |
| C8 | C9 | H8 | 120.1° | 120.0° |
| C9 | C10 | C11 | 119.8° | 120.0° |
| C10 | C9 | H8 | 120.1° | 120.0° |
| C9 | C10 | H9 | 120.1° | 120.0° |
| C10 | C11 | C6 | 121.2° | 120.0° |
| C11 | C10 | H9 | 120.1° | 120.0° |
| C10 | C11 | H10 | 119.4° | 120.0° |
| C5 | C12 | C1 | 112.1° | 109.2° |
| C12 | C5 | H5 | 107.3° | 109.5° |
| C5 | C12 | H11 | 108.8° | 109.6° |
| C5 | C12 | H12 | 108.8° | 109.4° |
| C1 | C12 | H11 | 108.8° | 109.5° |
| C1 | C12 | H12 | 108.8° | 109.5° |
| C6 | C11 | H10 | 119.4° | 120.0° |
| H3 | C4 | H4 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C12 | 176.7° | 179.7° |
| O1 | C1 | C2 | C3 | 157.8° | 179.8° |
| O1 | C1 | C12 | C5 | 137.7° | 151.4° |
| O1 | C1 | C2 | H1 | 22.2° | 0.2° |
| O1 | C1 | C12 | H11 | 17.3° | 31.3° |
| O1 | C1 | C12 | H12 | 101.9° | 88.9° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | O2 | 166.3° | 179.8° |
| C1 | C2 | C3 | C4 | 13.4° | 0.2° |
| C2 | C1 | C12 | C5 | 39.1° | 28.4° |
| C2 | C1 | C12 | H11 | 159.5° | 148.4° |
| C2 | C1 | C12 | H12 | 81.3° | 91.4° |
| C2 | C3 | O2 | C4 | 179.7° | 179.9° |
| C2 | C3 | C4 | C5 | 27.8° | 29.7° |
| C3 | C2 | C1 | C12 | 19.0° | 0.5° |
| C2 | C3 | O2 | H2 | 180.0° | 0.0° |
| C2 | C3 | C4 | H3 | 148.2° | 90.3° |
| C2 | C3 | C4 | H4 | 92.6° | 149.7° |
| O2 | C3 | C4 | C5 | 151.9° | 150.2° |
| O2 | C3 | C2 | H1 | 13.7° | 0.3° |
| O2 | C3 | C4 | H3 | 31.5° | 89.7° |
| O2 | C3 | C4 | H4 | 87.7° | 30.2° |
| C3 | C4 | C5 | H3 | 120.4° | 120.0° |
| C3 | C4 | C5 | H4 | 120.4° | 120.1° |
| C3 | C4 | C5 | C6 | 80.9° | 177.2° |
| C3 | C4 | C5 | C12 | 46.0° | 57.3° |
| C4 | C3 | C2 | H1 | 166.7° | 179.8° |
| C4 | C3 | O2 | H2 | 0.3° | 180.0° |
| C3 | C4 | H3 | H4 | 118.7° | 120.0° |
| C3 | C4 | C5 | H5 | 162.5° | 62.5° |
| C4 | C5 | C6 | C12 | 124.5° | 119.5° |
| C4 | C5 | C6 | H5 | 116.6° | 120.3° |
| C4 | C5 | C6 | C7 | 105.8° | 120.0° |
| C4 | C5 | C12 | H5 | 116.6° | 119.9° |
| C4 | C5 | C12 | C1 | 52.4° | 56.4° |
| C4 | C5 | C6 | C11 | 70.0° | 60.3° |
| C5 | C4 | H3 | H4 | 118.7° | 119.9° |
| C4 | C5 | C12 | H11 | 172.7° | 176.4° |
| C4 | C5 | C12 | H12 | 68.0° | 63.5° |
| C5 | C6 | C7 | C11 | 175.9° | 179.7° |
| C5 | C6 | C7 | C8 | 177.6° | 180.0° |
| C5 | C6 | C11 | C10 | 177.8° | 179.8° |
| C6 | C5 | C12 | H5 | 119.0° | 120.2° |
| C6 | C5 | C12 | C1 | 72.1° | 176.3° |
| C6 | C5 | C4 | H3 | 39.5° | 57.1° |
| C6 | C5 | C4 | H4 | 158.7° | 62.7° |
| C5 | C6 | C7 | H6 | 2.4° | 0.1° |
| C5 | C6 | C11 | H10 | 2.3° | 0.0° |
| C6 | C5 | C12 | H11 | 48.3° | 63.7° |
| C6 | C5 | C12 | H12 | 167.5° | 56.4° |
| C6 | C7 | C8 | H6 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C7 | C6 | C11 | C10 | 1.8° | 0.5° |
| C7 | C6 | C5 | C12 | 18.6° | 120.5° |
| C7 | C6 | C5 | H5 | 137.5° | 0.3° |
| C6 | C7 | C8 | H7 | 179.7° | 179.9° |
| C7 | C6 | C11 | H10 | 178.2° | 179.7° |
| C7 | C8 | C9 | H7 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 1.0° | 0.0° |
| C8 | C7 | C6 | C11 | 1.7° | 0.3° |
| C7 | C8 | C9 | H8 | 179.0° | 180.0° |
| C8 | C9 | C10 | H8 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.8° | 0.2° |
| C9 | C8 | C7 | H6 | 179.7° | 179.9° |
| C8 | C9 | C10 | H9 | 179.2° | 180.0° |
| C9 | C10 | C11 | H9 | 180.0° | 179.8° |
| C9 | C10 | C11 | C6 | 0.6° | 0.5° |
| C10 | C9 | C8 | H7 | 179.0° | 179.9° |
| C9 | C10 | C11 | H10 | 179.5° | 179.8° |
| C10 | C11 | C6 | H10 | 180.0° | 179.8° |
| C11 | C10 | C9 | H8 | 179.1° | 179.8° |
| C5 | C12 | C1 | H11 | 120.4° | 120.0° |
| C5 | C12 | C1 | H12 | 120.4° | 119.8° |
| C12 | C5 | C6 | C11 | 165.6° | 59.3° |
| C12 | C5 | C4 | H3 | 166.4° | 62.8° |
| C12 | C5 | C4 | H4 | 74.4° | 177.3° |
| C5 | C12 | H11 | H12 | 118.8° | 120.1° |
| C12 | C1 | C2 | H1 | 161.1° | 179.5° |
| C1 | C12 | C5 | H5 | 168.9° | 63.5° |
| C1 | C12 | H11 | H12 | 118.8° | 120.2° |
| C11 | C6 | C5 | H5 | 46.7° | 179.4° |
| C11 | C6 | C7 | H6 | 178.3° | 179.8° |
| C6 | C11 | C10 | H9 | 179.4° | 179.7° |
| H3 | C4 | C5 | H5 | 77.1° | 177.4° |
| H4 | C4 | C5 | H5 | 42.1° | 57.5° |
| H5 | C5 | C12 | H11 | 70.7° | 56.5° |
| H5 | C5 | C12 | H12 | 48.5° | 176.7° |
| H6 | C7 | C8 | H7 | 0.3° | 0.0° |
| H7 | C8 | C9 | H8 | 1.0° | 0.1° |
| H8 | C9 | C10 | H9 | 0.9° | 0.0° |
| H9 | C10 | C11 | H10 | 0.5° | 0.0° |
