B0E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.20Å | |
| O1 | C | sing | 1.35Å | 1.37Å | |
| O1 | C1 | sing | 1.36Å | 1.39Å | |
| C | C12 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | O3 | sing | 1.36Å | 1.36Å | |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | O1 | 116.5° | 121.1° |
| O | C | C12 | 125.6° | 121.2° |
| C | O1 | C1 | 122.7° | 117.7° |
| O1 | C | C12 | 117.8° | 117.7° |
| O1 | C1 | C2 | 115.4° | 120.1° |
| O1 | C1 | C6 | 122.2° | 120.5° |
| C | C12 | C11 | 118.5° | 122.9° |
| C | C12 | C7 | 121.1° | 117.2° |
| C1 | C2 | C3 | 118.8° | 120.2° |
| C2 | C1 | C6 | 122.4° | 119.4° |
| C1 | C2 | H6 | 120.6° | 119.9° |
| C2 | C3 | O2 | 119.6° | 119.7° |
| C2 | C3 | C4 | 120.8° | 120.5° |
| C3 | C2 | H6 | 120.6° | 119.9° |
| C1 | C6 | C7 | 117.2° | 118.6° |
| C1 | C6 | C5 | 116.8° | 120.2° |
| C11 | C12 | C7 | 120.3° | 119.9° |
| C12 | C11 | C10 | 120.0° | 119.4° |
| C12 | C11 | H2 | 120.0° | 120.3° |
| C12 | C7 | C6 | 118.9° | 117.1° |
| C12 | C7 | C8 | 118.1° | 119.8° |
| C11 | C10 | C9 | 120.2° | 120.7° |
| C10 | C11 | H2 | 120.0° | 120.3° |
| C11 | C10 | H5 | 119.9° | 119.7° |
| O2 | C3 | C4 | 119.6° | 119.7° |
| C3 | O2 | H7 | 109.5° | 114.0° |
| C3 | C4 | C5 | 119.5° | 120.1° |
| C3 | C4 | H1 | 120.2° | 119.9° |
| C7 | C6 | C5 | 125.9° | 121.2° |
| C6 | C7 | C8 | 123.0° | 123.0° |
| C6 | C5 | C4 | 121.5° | 119.7° |
| C6 | C5 | O3 | 122.0° | 120.1° |
| C10 | C9 | C8 | 120.2° | 120.7° |
| C10 | C9 | H4 | 119.9° | 119.6° |
| C9 | C10 | H5 | 119.9° | 119.6° |
| C7 | C8 | C9 | 121.1° | 119.5° |
| C7 | C8 | H3 | 119.4° | 120.3° |
| C4 | C5 | O3 | 116.4° | 120.2° |
| C5 | C4 | H1 | 120.2° | 119.9° |
| C5 | O3 | H8 | 109.5° | 114.0° |
| C9 | C8 | H3 | 119.5° | 120.2° |
| C8 | C9 | H4 | 119.9° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | O1 | C12 | 178.4° | 179.9° |
| O | C | O1 | C1 | 177.9° | 139.6° |
| O | C | C12 | C11 | 3.2° | 25.8° |
| O | C | C12 | C7 | 177.0° | 154.2° |
| C | O1 | C1 | C2 | 178.1° | 153.2° |
| C | O1 | C1 | C6 | 0.6° | 28.2° |
| O1 | C | C12 | C11 | 178.6° | 154.1° |
| O1 | C | C12 | C7 | 1.3° | 25.8° |
| C1 | O1 | C | C12 | 0.5° | 40.5° |
| O1 | C1 | C2 | C6 | 178.7° | 178.7° |
| O1 | C1 | C2 | C3 | 178.4° | 179.2° |
| O1 | C1 | C6 | C7 | 0.9° | 1.3° |
| O1 | C1 | C6 | C5 | 179.4° | 178.8° |
| O1 | C1 | C2 | H6 | 1.6° | 1.7° |
| C | C12 | C11 | C7 | 179.8° | 180.0° |
| C | C12 | C11 | C10 | 179.8° | 179.8° |
| C | C12 | C7 | C6 | 0.9° | 0.3° |
| C | C12 | C7 | C8 | 179.6° | 179.7° |
| C | C12 | C11 | H2 | 0.1° | 0.3° |
| C1 | C2 | C3 | H6 | 180.0° | 179.1° |
| C1 | C2 | C3 | O2 | 178.4° | 179.4° |
| C1 | C2 | C3 | C4 | 0.8° | 0.6° |
| C2 | C1 | C6 | C7 | 177.7° | 180.0° |
| C2 | C1 | C6 | C5 | 0.8° | 0.1° |
| C3 | C2 | C1 | C6 | 0.3° | 0.6° |
| C2 | C3 | O2 | C4 | 179.2° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.2° |
| C2 | C3 | C4 | H1 | 179.7° | 179.5° |
| C2 | C3 | O2 | H7 | 180.0° | 90.0° |
| C1 | C6 | C7 | C12 | 0.1° | 12.3° |
| C1 | C6 | C7 | C5 | 178.3° | 179.9° |
| C1 | C6 | C7 | C8 | 179.3° | 167.8° |
| C1 | C6 | C5 | C4 | 1.3° | 0.3° |
| C1 | C6 | C5 | O3 | 177.5° | 179.8° |
| C6 | C1 | C2 | H6 | 179.7° | 179.7° |
| C12 | C11 | C10 | H2 | 180.0° | 180.0° |
| C11 | C12 | C7 | C6 | 178.9° | 179.7° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C11 | C12 | C7 | C8 | 0.5° | 0.3° |
| C12 | C11 | C10 | H5 | 179.9° | 180.0° |
| C7 | C12 | C11 | C10 | 0.3° | 0.2° |
| C12 | C7 | C6 | C8 | 179.4° | 180.0° |
| C12 | C7 | C6 | C5 | 178.4° | 167.6° |
| C12 | C7 | C8 | C9 | 0.4° | 0.1° |
| C7 | C12 | C11 | H2 | 179.7° | 179.8° |
| C12 | C7 | C8 | H3 | 179.6° | 179.9° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.2° | 0.2° |
| C11 | C10 | C9 | H4 | 179.8° | 179.9° |
| O2 | C3 | C4 | C5 | 178.9° | 179.8° |
| O2 | C3 | C4 | H1 | 1.0° | 0.5° |
| O2 | C3 | C2 | H6 | 1.6° | 0.3° |
| C3 | C4 | C5 | C6 | 0.8° | 0.2° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | O3 | 178.1° | 179.8° |
| C4 | C3 | C2 | H6 | 179.2° | 179.7° |
| C4 | C3 | O2 | H7 | 0.8° | 90.0° |
| C7 | C6 | C5 | C4 | 177.0° | 179.6° |
| C7 | C6 | C5 | O3 | 4.2° | 0.4° |
| C6 | C7 | C8 | C9 | 179.0° | 179.9° |
| C6 | C7 | C8 | H3 | 1.0° | 0.2° |
| C5 | C6 | C7 | C8 | 1.0° | 12.3° |
| C6 | C5 | C4 | O3 | 178.9° | 180.0° |
| C6 | C5 | C4 | H1 | 179.2° | 180.0° |
| C6 | C5 | O3 | H8 | 180.0° | 90.0° |
| C10 | C9 | C8 | C7 | 0.0° | 0.1° |
| C10 | C9 | C8 | H4 | 180.0° | 179.9° |
| C9 | C10 | C11 | H2 | 179.9° | 180.0° |
| C10 | C9 | C8 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C4 | C5 | O3 | H8 | 1.1° | 90.0° |
| O3 | C5 | C4 | H1 | 2.0° | 0.1° |
| C8 | C9 | C10 | H5 | 179.8° | 179.9° |
| H2 | C11 | C10 | H5 | 0.1° | 0.0° |
| H3 | C8 | C9 | H4 | 0.0° | 0.0° |
| H4 | C9 | C10 | H5 | 0.2° | 0.1° |
