397
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.41Å | 1.45Å | Aromatic |
| C3 | O10 | sing | 1.35Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C12 | sing | 1.46Å | 1.45Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | O23 | sing | 1.36Å | 1.37Å | |
| O10 | C11 | sing | 1.35Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.45Å | Aromatic |
| C11 | C13 | sing | 1.48Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.40Å | 1.45Å | Aromatic |
| C13 | C18 | sing | 1.40Å | 1.45Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | O24 | sing | 1.36Å | 1.37Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.7° | 120.7° |
| C2 | C1 | H1 | 120.3° | 119.6° |
| C1 | C2 | C3 | 120.5° | 120.0° |
| C1 | C2 | H2 | 120.6° | 120.0° |
| C6 | C1 | H1 | 120.0° | 119.7° |
| C1 | C6 | C5 | 120.2° | 120.2° |
| C1 | C6 | O23 | 120.2° | 119.9° |
| C3 | C2 | H2 | 118.9° | 120.0° |
| C2 | C3 | C4 | 119.5° | 119.3° |
| C2 | C3 | O10 | 130.9° | 133.1° |
| C4 | C3 | O10 | 109.7° | 107.5° |
| C3 | C4 | C5 | 119.8° | 120.2° |
| C3 | C4 | C12 | 107.9° | 105.6° |
| C3 | O10 | C11 | 106.7° | 110.8° |
| C5 | C4 | C12 | 132.3° | 134.1° |
| C4 | C5 | C6 | 120.2° | 119.5° |
| C4 | C5 | H5 | 119.2° | 120.2° |
| C4 | C12 | C11 | 101.4° | 106.1° |
| C4 | C12 | H12 | 129.3° | 127.0° |
| C6 | C5 | H5 | 120.6° | 120.3° |
| C5 | C6 | O23 | 119.5° | 119.9° |
| C6 | O23 | H23 | 120.2° | 106.8° |
| O10 | C11 | C12 | 114.3° | 109.9° |
| O10 | C11 | C13 | 118.3° | 125.0° |
| C12 | C11 | C13 | 127.4° | 125.1° |
| C11 | C12 | H12 | 129.2° | 126.9° |
| C11 | C13 | C14 | 121.6° | 120.2° |
| C11 | C13 | C18 | 122.9° | 120.0° |
| C14 | C13 | C18 | 115.5° | 119.8° |
| C13 | C14 | C15 | 122.3° | 119.9° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C13 | C18 | C17 | 122.2° | 119.9° |
| C13 | C18 | H18 | 120.2° | 120.1° |
| C15 | C14 | H14 | 117.7° | 120.1° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C14 | C15 | H15 | 120.1° | 119.9° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.2° |
| C15 | C16 | O24 | 119.1° | 119.9° |
| C17 | C16 | O24 | 120.8° | 119.9° |
| C16 | C17 | C18 | 120.0° | 120.1° |
| C16 | C17 | H17 | 120.2° | 120.0° |
| C16 | O24 | H24 | 119.2° | 106.8° |
| C18 | C17 | H17 | 119.8° | 119.9° |
| C17 | C18 | H18 | 117.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.5° | 0.1° |
| C1 | C2 | C3 | O10 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.3° | 0.0° |
| C2 | C1 | C6 | O23 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.1° |
| C6 | C1 | C2 | H2 | 179.7° | 179.9° |
| C1 | C6 | C5 | C4 | 0.4° | 0.1° |
| C1 | C6 | C5 | O23 | 179.7° | 180.0° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| C1 | C6 | O23 | H23 | 180.0° | 90.0° |
| H1 | C1 | C2 | C3 | 179.6° | 179.9° |
| H1 | C1 | C2 | H2 | 0.4° | 0.1° |
| H1 | C1 | C6 | C5 | 179.7° | 180.0° |
| H1 | C1 | C6 | O23 | 0.0° | 0.1° |
| C2 | C3 | C4 | O10 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | C12 | 180.0° | 179.8° |
| C2 | C3 | O10 | C11 | 180.0° | 180.0° |
| H2 | C2 | C3 | C4 | 179.6° | 179.9° |
| H2 | C2 | C3 | O10 | 0.1° | 0.0° |
| C3 | C4 | C5 | C12 | 179.4° | 179.7° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | H5 | 179.6° | 180.0° |
| C4 | C3 | O10 | C11 | 0.3° | 0.0° |
| C3 | C4 | C12 | C11 | 0.1° | 0.4° |
| C3 | C4 | C12 | H12 | 179.9° | 179.7° |
| O10 | C3 | C4 | C5 | 179.8° | 180.0° |
| O10 | C3 | C4 | C12 | 0.3° | 0.3° |
| C3 | O10 | C11 | C12 | 0.2° | 0.2° |
| C3 | O10 | C11 | C13 | 179.3° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | O23 | 179.9° | 180.0° |
| C5 | C4 | C12 | C11 | 179.6° | 179.9° |
| C5 | C4 | C12 | H12 | 0.5° | 0.0° |
| C12 | C4 | C5 | C6 | 179.8° | 179.7° |
| C12 | C4 | C5 | H5 | 0.2° | 0.3° |
| C4 | C12 | C11 | O10 | 0.0° | 0.4° |
| C4 | C12 | C11 | H12 | 180.0° | 179.9° |
| C4 | C12 | C11 | C13 | 179.4° | 179.8° |
| C5 | C6 | O23 | H23 | 0.3° | 90.0° |
| H5 | C5 | C6 | O23 | 0.0° | 0.1° |
| O10 | C11 | C12 | C13 | 179.5° | 179.8° |
| O10 | C11 | C12 | H12 | 180.0° | 179.7° |
| O10 | C11 | C13 | C14 | 5.6° | 0.0° |
| O10 | C11 | C13 | C18 | 173.6° | 180.0° |
| C12 | C11 | C13 | C14 | 175.0° | 179.7° |
| C12 | C11 | C13 | C18 | 5.8° | 0.2° |
| C13 | C11 | C12 | H12 | 0.6° | 0.0° |
| C11 | C13 | C14 | C18 | 179.3° | 179.9° |
| C11 | C13 | C14 | C15 | 179.4° | 180.0° |
| C11 | C13 | C14 | H14 | 0.6° | 0.0° |
| C11 | C13 | C18 | C17 | 179.5° | 179.8° |
| C11 | C13 | C18 | H18 | 0.5° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| C14 | C13 | C18 | C17 | 0.2° | 0.1° |
| C14 | C13 | C18 | H18 | 179.8° | 180.0° |
| C18 | C13 | C14 | C15 | 0.2° | 0.0° |
| C18 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C18 | C17 | C16 | 0.2° | 0.4° |
| C13 | C18 | C17 | H18 | 180.0° | 179.8° |
| C13 | C18 | C17 | H17 | 179.8° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.2° |
| C14 | C15 | C16 | O24 | 179.9° | 180.0° |
| H14 | C14 | C15 | C16 | 179.9° | 180.0° |
| H14 | C14 | C15 | H15 | 0.2° | 0.0° |
| C15 | C16 | C17 | O24 | 179.9° | 179.8° |
| C15 | C16 | C17 | C18 | 0.2° | 0.4° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C15 | C16 | O24 | H24 | 180.0° | 90.0° |
| H15 | C15 | C16 | C17 | 179.8° | 179.8° |
| H15 | C15 | C16 | O24 | 0.1° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.6° |
| C16 | C17 | C18 | H18 | 179.8° | 179.8° |
| C17 | C16 | O24 | H24 | 0.1° | 90.3° |
| O24 | C16 | C17 | C18 | 179.9° | 179.8° |
| O24 | C16 | C17 | H17 | 0.1° | 0.2° |
| H17 | C17 | C18 | H18 | 0.2° | 0.2° |
