797
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| C1 | C18 | sing | 1.48Å | 1.51Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.42Å | 1.49Å | Aromatic |
| C3 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.36Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.40Å | 1.44Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | O17 | sing | 1.36Å | 1.39Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C18 | C19 | sing | 1.47Å | 1.45Å | Aromatic |
| C18 | N22 | doub | 1.31Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.43Å | Aromatic |
| C19 | C23 | sing | 1.40Å | 1.46Å | Aromatic |
| C20 | O21 | sing | 1.35Å | 1.35Å | Aromatic |
| C20 | C26 | sing | 1.39Å | 1.43Å | Aromatic |
| O21 | N22 | sing | 1.41Å | 1.31Å | Aromatic |
| C23 | C24 | doub | 1.37Å | 1.44Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.39Å | 1.44Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | O30 | sing | 1.36Å | 1.39Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.1° | 120.6° |
| C2 | C1 | C18 | 121.4° | 119.7° |
| C1 | C2 | C3 | 120.5° | 119.5° |
| C1 | C2 | H2 | 120.3° | 120.3° |
| C6 | C1 | C18 | 119.6° | 119.7° |
| C1 | C6 | C5 | 121.9° | 120.8° |
| C1 | C6 | H6 | 119.5° | 119.6° |
| C1 | C18 | C19 | 132.9° | 126.4° |
| C1 | C18 | N22 | 125.6° | 126.4° |
| C3 | C2 | H2 | 119.2° | 120.2° |
| C2 | C3 | C4 | 119.3° | 119.4° |
| C2 | C3 | C10 | 120.3° | 121.0° |
| C4 | C3 | C10 | 120.4° | 119.5° |
| C3 | C4 | C5 | 119.9° | 119.6° |
| C3 | C4 | C13 | 119.4° | 119.4° |
| C3 | C10 | C11 | 119.0° | 119.9° |
| C3 | C10 | H10 | 120.4° | 120.0° |
| C5 | C4 | C13 | 120.7° | 121.0° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C4 | C13 | C12 | 119.1° | 119.6° |
| C4 | C13 | H13 | 120.2° | 120.2° |
| C6 | C5 | H5 | 120.5° | 120.0° |
| C5 | C6 | H6 | 118.6° | 119.6° |
| C11 | C10 | H10 | 120.6° | 120.0° |
| C10 | C11 | C12 | 120.5° | 120.9° |
| C10 | C11 | H11 | 119.6° | 119.6° |
| C12 | C11 | H11 | 119.9° | 119.5° |
| C11 | C12 | C13 | 121.6° | 120.7° |
| C11 | C12 | O17 | 118.7° | 119.6° |
| C13 | C12 | O17 | 119.7° | 119.7° |
| C12 | C13 | H13 | 120.7° | 120.3° |
| C12 | O17 | H17 | 118.7° | 106.7° |
| C19 | C18 | N22 | 101.5° | 107.2° |
| C18 | C19 | C20 | 107.8° | 106.4° |
| C18 | C19 | C23 | 134.9° | 133.6° |
| C18 | N22 | O21 | 115.0° | 109.6° |
| C20 | C19 | C23 | 117.3° | 120.0° |
| C19 | C20 | O21 | 107.1° | 107.3° |
| C19 | C20 | C26 | 123.5° | 119.4° |
| C19 | C23 | C24 | 119.9° | 119.9° |
| C19 | C23 | H23 | 120.7° | 120.1° |
| O21 | C20 | C26 | 129.4° | 133.3° |
| C20 | O21 | N22 | 108.5° | 109.5° |
| C20 | C26 | C25 | 118.4° | 119.8° |
| C20 | C26 | H26 | 121.2° | 120.1° |
| C24 | C23 | H23 | 119.5° | 120.0° |
| C23 | C24 | C25 | 120.0° | 120.4° |
| C23 | C24 | H24 | 120.0° | 119.8° |
| C25 | C24 | H24 | 120.0° | 119.8° |
| C24 | C25 | C26 | 121.0° | 120.4° |
| C24 | C25 | O30 | 120.5° | 119.8° |
| C26 | C25 | O30 | 118.6° | 119.8° |
| C25 | C26 | H26 | 120.5° | 120.1° |
| C25 | O30 | H30 | 120.4° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C18 | 179.6° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.0° | 0.5° |
| C1 | C2 | C3 | C10 | 179.7° | 179.8° |
| C2 | C1 | C6 | C5 | 0.2° | 0.3° |
| C2 | C1 | C6 | H6 | 179.9° | 179.8° |
| C2 | C1 | C18 | C19 | 4.1° | 140.0° |
| C2 | C1 | C18 | N22 | 175.7° | 40.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.5° |
| C6 | C1 | C2 | H2 | 179.9° | 179.7° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.7° | 179.9° |
| C6 | C1 | C18 | C19 | 176.3° | 39.7° |
| C6 | C1 | C18 | N22 | 3.9° | 140.3° |
| C18 | C1 | C2 | C3 | 179.7° | 179.8° |
| C18 | C1 | C2 | H2 | 0.3° | 0.0° |
| C18 | C1 | C6 | C5 | 179.8° | 180.0° |
| C18 | C1 | C6 | H6 | 0.2° | 0.1° |
| C1 | C18 | C19 | N22 | 179.8° | 180.0° |
| C1 | C18 | C19 | C20 | 179.9° | 180.0° |
| C1 | C18 | C19 | C23 | 0.2° | 0.0° |
| C1 | C18 | N22 | O21 | 179.9° | 180.0° |
| C2 | C3 | C4 | C10 | 179.7° | 179.7° |
| C2 | C3 | C4 | C5 | 0.1° | 0.3° |
| C2 | C3 | C4 | C13 | 180.0° | 179.8° |
| C2 | C3 | C10 | C11 | 179.9° | 179.7° |
| C2 | C3 | C10 | H10 | 0.1° | 0.3° |
| H2 | C2 | C3 | C4 | 180.0° | 179.7° |
| H2 | C2 | C3 | C10 | 0.3° | 0.0° |
| C3 | C4 | C5 | C13 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C4 | C3 | C10 | C11 | 0.3° | 0.0° |
| C4 | C3 | C10 | H10 | 179.7° | 180.0° |
| C3 | C4 | C13 | C12 | 0.3° | 0.0° |
| C3 | C4 | C13 | H13 | 179.7° | 180.0° |
| C10 | C3 | C4 | C5 | 179.8° | 180.0° |
| C10 | C3 | C4 | C13 | 0.4° | 0.1° |
| C3 | C10 | C11 | H10 | 180.0° | 180.0° |
| C3 | C10 | C11 | C12 | 0.1° | 0.0° |
| C3 | C10 | C11 | H11 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | C13 | C12 | 179.9° | 180.0° |
| C5 | C4 | C13 | H13 | 0.2° | 0.0° |
| C13 | C4 | C5 | C6 | 180.0° | 180.0° |
| C13 | C4 | C5 | H5 | 0.1° | 0.0° |
| C4 | C13 | C12 | C11 | 0.1° | 0.0° |
| C4 | C13 | C12 | H13 | 180.0° | 180.0° |
| C4 | C13 | C12 | O17 | 180.0° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | O17 | 179.9° | 180.0° |
| H10 | C10 | C11 | C12 | 179.9° | 180.0° |
| H10 | C10 | C11 | H11 | 0.1° | 0.0° |
| C11 | C12 | C13 | O17 | 179.9° | 180.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C11 | C12 | O17 | H17 | 180.0° | 90.0° |
| H11 | C11 | C12 | C13 | 180.0° | 180.0° |
| H11 | C11 | C12 | O17 | 0.1° | 0.0° |
| C13 | C12 | O17 | H17 | 0.1° | 90.0° |
| O17 | C12 | C13 | H13 | 0.0° | 0.0° |
| C18 | C19 | C20 | C23 | 179.9° | 180.0° |
| C18 | C19 | C20 | O21 | 0.1° | 0.0° |
| C18 | C19 | C20 | C26 | 180.0° | 179.7° |
| C19 | C18 | N22 | O21 | 0.1° | 0.0° |
| C18 | C19 | C23 | C24 | 179.9° | 180.0° |
| C18 | C19 | C23 | H23 | 0.1° | 0.0° |
| N22 | C18 | C19 | C20 | 0.1° | 0.0° |
| N22 | C18 | C19 | C23 | 180.0° | 180.0° |
| C18 | N22 | O21 | C20 | 0.0° | 0.0° |
| C19 | C20 | O21 | C26 | 179.9° | 179.6° |
| C19 | C20 | O21 | N22 | 0.0° | 0.0° |
| C20 | C19 | C23 | C24 | 0.2° | 0.1° |
| C20 | C19 | C23 | H23 | 179.8° | 180.0° |
| C19 | C20 | C26 | C25 | 0.0° | 0.5° |
| C19 | C20 | C26 | H26 | 180.0° | 180.0° |
| C23 | C19 | C20 | O21 | 180.0° | 180.0° |
| C23 | C19 | C20 | C26 | 0.1° | 0.3° |
| C19 | C23 | C24 | H23 | 180.0° | 180.0° |
| C19 | C23 | C24 | C25 | 0.1° | 0.0° |
| C19 | C23 | C24 | H24 | 179.9° | 179.9° |
| O21 | C20 | C26 | C25 | 179.8° | 179.9° |
| O21 | C20 | C26 | H26 | 0.2° | 0.4° |
| C26 | C20 | O21 | N22 | 179.9° | 179.7° |
| C20 | C26 | C25 | C24 | 0.0° | 0.5° |
| C20 | C26 | C25 | H26 | 180.0° | 179.5° |
| C20 | C26 | C25 | O30 | 179.7° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.2° |
| C23 | C24 | C25 | O30 | 179.8° | 179.9° |
| H23 | C23 | C24 | C25 | 179.9° | 180.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
| C24 | C25 | C26 | O30 | 179.8° | 179.8° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| C24 | C25 | O30 | H30 | 180.0° | 90.0° |
| H24 | C24 | C25 | C26 | 180.0° | 179.7° |
| H24 | C24 | C25 | O30 | 0.2° | 0.1° |
| C26 | C25 | O30 | H30 | 0.3° | 90.2° |
| O30 | C25 | C26 | H26 | 0.3° | 0.2° |
