4EU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| O2 | C7 | doub | 1.22Å | 1.22Å | |
| O1 | C1 | sing | 1.36Å | 1.38Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.49Å | |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| O4 | C13 | sing | 1.36Å | 1.35Å | |
| C9 | C10 | sing | 1.37Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | O3 | sing | 1.36Å | 1.37Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C1 | 119.9° | 120.1° |
| C6 | C5 | C4 | 120.7° | 119.9° |
| C6 | C5 | H4 | 119.7° | 120.0° |
| C5 | C6 | H5 | 120.0° | 119.9° |
| C6 | C1 | O1 | 120.7° | 119.9° |
| C6 | C1 | C2 | 119.8° | 120.2° |
| C1 | C6 | H5 | 120.0° | 120.0° |
| C5 | C4 | C7 | 121.7° | 120.1° |
| C5 | C4 | C3 | 118.5° | 119.8° |
| C4 | C5 | H4 | 119.6° | 120.1° |
| O2 | C7 | C4 | 121.0° | 120.0° |
| O2 | C7 | C8 | 119.2° | 120.0° |
| O1 | C1 | C2 | 119.4° | 119.9° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 120.0° | 120.1° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C7 | C4 | C3 | 119.7° | 120.1° |
| C4 | C7 | C8 | 119.7° | 120.0° |
| C4 | C3 | C2 | 121.0° | 119.9° |
| C4 | C3 | H3 | 119.5° | 120.0° |
| C7 | C8 | C9 | 121.7° | 120.1° |
| C7 | C8 | C13 | 119.7° | 120.1° |
| C2 | C3 | H3 | 119.5° | 120.1° |
| C3 | C2 | H2 | 120.0° | 119.9° |
| C9 | C8 | C13 | 118.4° | 119.7° |
| C8 | C9 | C10 | 121.2° | 120.0° |
| C8 | C9 | H6 | 119.4° | 119.9° |
| C8 | C13 | O4 | 119.8° | 120.2° |
| C8 | C13 | C12 | 120.4° | 119.6° |
| O4 | C13 | C12 | 119.8° | 120.2° |
| C13 | O4 | H10 | 109.5° | 114.0° |
| C9 | C10 | C11 | 119.7° | 120.4° |
| C9 | C10 | H7 | 120.2° | 119.8° |
| C10 | C9 | H6 | 119.4° | 120.0° |
| C13 | C12 | C11 | 119.9° | 119.9° |
| C13 | C12 | H9 | 120.0° | 120.1° |
| C10 | C11 | C12 | 120.3° | 120.2° |
| C10 | C11 | O3 | 119.7° | 119.9° |
| C11 | C10 | H7 | 120.2° | 119.8° |
| C12 | C11 | O3 | 119.9° | 119.9° |
| C11 | C12 | H9 | 120.0° | 120.0° |
| C11 | O3 | H8 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C1 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | C6 | C1 | O1 | 175.0° | 180.0° |
| C5 | C6 | C1 | C2 | 1.1° | 0.3° |
| C6 | C5 | C4 | C7 | 179.3° | 180.0° |
| C6 | C5 | C4 | C3 | 0.8° | 0.3° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C1 | O1 | C2 | 176.1° | 179.7° |
| C6 | C1 | C2 | C3 | 1.7° | 0.3° |
| C6 | C1 | C2 | H2 | 178.3° | 179.8° |
| C1 | C6 | C5 | H4 | 179.8° | 180.0° |
| C6 | C1 | O1 | H1 | 180.0° | 90.0° |
| C5 | C4 | C7 | O2 | 18.0° | 5.2° |
| C5 | C4 | C7 | C3 | 178.5° | 179.8° |
| C5 | C4 | C7 | C8 | 166.1° | 174.6° |
| C5 | C4 | C3 | C2 | 0.2° | 0.2° |
| C5 | C4 | C3 | H3 | 179.8° | 179.7° |
| C4 | C5 | C6 | H5 | 179.8° | 180.0° |
| O2 | C7 | C4 | C8 | 175.9° | 179.7° |
| O2 | C7 | C4 | C3 | 160.5° | 174.6° |
| O2 | C7 | C8 | C9 | 118.7° | 75.6° |
| O2 | C7 | C8 | C13 | 64.9° | 104.1° |
| O1 | C1 | C2 | C3 | 174.4° | 180.0° |
| O1 | C1 | C2 | H2 | 5.6° | 0.0° |
| O1 | C1 | C6 | H5 | 5.0° | 0.0° |
| C1 | C2 | C3 | C4 | 1.0° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 178.9° | 180.0° |
| C2 | C1 | C6 | H5 | 178.9° | 179.7° |
| C2 | C1 | O1 | H1 | 3.9° | 90.3° |
| C7 | C4 | C3 | C2 | 178.7° | 180.0° |
| C4 | C7 | C8 | C9 | 65.3° | 104.7° |
| C4 | C7 | C8 | C13 | 111.1° | 75.6° |
| C7 | C4 | C3 | H3 | 1.3° | 0.0° |
| C7 | C4 | C5 | H4 | 0.7° | 0.0° |
| C3 | C4 | C7 | C8 | 15.4° | 5.7° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 178.9° | 180.0° |
| C3 | C4 | C5 | H4 | 179.2° | 179.7° |
| C7 | C8 | C9 | C13 | 176.4° | 179.7° |
| C7 | C8 | C13 | O4 | 0.7° | 0.0° |
| C7 | C8 | C9 | C10 | 177.5° | 179.8° |
| C7 | C8 | C13 | C12 | 177.4° | 180.0° |
| C7 | C8 | C9 | H6 | 2.5° | 0.0° |
| C9 | C8 | C13 | O4 | 177.2° | 179.7° |
| C8 | C9 | C10 | H6 | 180.0° | 179.8° |
| C9 | C8 | C13 | C12 | 0.9° | 0.3° |
| C8 | C9 | C10 | C11 | 0.6° | 0.5° |
| C8 | C9 | C10 | H7 | 179.4° | 179.7° |
| C8 | C13 | O4 | C12 | 178.1° | 180.0° |
| C13 | C8 | C9 | C10 | 1.0° | 0.5° |
| C8 | C13 | C12 | C11 | 0.4° | 0.0° |
| C8 | C13 | O4 | H10 | 180.0° | 89.9° |
| C8 | C13 | C12 | H9 | 179.6° | 180.0° |
| C13 | C8 | C9 | H6 | 178.9° | 179.7° |
| O4 | C13 | C12 | C11 | 177.8° | 179.9° |
| O4 | C13 | C12 | H9 | 2.3° | 0.0° |
| C9 | C10 | C11 | H7 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 0.0° | 0.2° |
| C9 | C10 | C11 | O3 | 177.2° | 179.8° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | O3 | 177.3° | 180.0° |
| C12 | C13 | O4 | H10 | 1.9° | 90.0° |
| C10 | C11 | C12 | O3 | 177.2° | 180.0° |
| C10 | C11 | C12 | H9 | 179.9° | 180.0° |
| C10 | C11 | O3 | H8 | 180.0° | 90.0° |
| C11 | C10 | C9 | H6 | 179.4° | 179.8° |
| C12 | C11 | O3 | H8 | 2.8° | 90.0° |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| O3 | C11 | C12 | H9 | 2.7° | 0.0° |
| O3 | C11 | C10 | H7 | 2.7° | 0.0° |
| H3 | C3 | C2 | H2 | 1.1° | 0.0° |
| H4 | C5 | C6 | H5 | 0.2° | 0.0° |
| H7 | C10 | C9 | H6 | 0.6° | 0.0° |
