196
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.44Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C1 | O10 | sing | 1.36Å | 1.40Å | |
| C2 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | F11 | sing | 1.35Å | 1.35Å | |
| C3 | C4 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.39Å | 1.45Å | Aromatic |
| C4 | C12 | sing | 1.48Å | 1.52Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C12 | C13 | doub | 1.38Å | 1.44Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.44Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.42Å | 1.49Å | Aromatic |
| C14 | C20 | doub | 1.41Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.46Å | 1.46Å | Aromatic |
| C15 | C23 | doub | 1.40Å | 1.45Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.43Å | Aromatic |
| C16 | C27 | sing | 1.43Å | 1.45Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.36Å | 1.44Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.40Å | 1.44Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.43Å | Aromatic |
| C22 | O29 | sing | 1.36Å | 1.38Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | N28 | trip | 1.14Å | 1.16Å | |
| O29 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.5° | 120.1° |
| C2 | C1 | O10 | 121.8° | 119.9° |
| C1 | C2 | C3 | 121.5° | 120.0° |
| C1 | C2 | F11 | 118.1° | 120.0° |
| C6 | C1 | O10 | 118.7° | 120.0° |
| C1 | C6 | C5 | 119.0° | 120.1° |
| C1 | C6 | H6 | 120.5° | 120.0° |
| C1 | O10 | H10 | 109.5° | 106.8° |
| C3 | C2 | F11 | 120.4° | 120.0° |
| C2 | C3 | C4 | 119.8° | 119.9° |
| C2 | C3 | H3 | 120.1° | 120.1° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | C5 | 118.4° | 119.9° |
| C3 | C4 | C12 | 120.5° | 120.0° |
| C5 | C4 | C12 | 121.1° | 120.1° |
| C4 | C5 | C6 | 121.7° | 120.0° |
| C4 | C5 | H5 | 119.1° | 120.0° |
| C4 | C12 | C13 | 121.5° | 119.3° |
| C4 | C12 | C17 | 120.4° | 119.3° |
| C6 | C5 | H5 | 119.1° | 120.0° |
| C5 | C6 | H6 | 120.5° | 119.9° |
| C13 | C12 | C17 | 118.0° | 121.4° |
| C12 | C13 | C14 | 122.4° | 120.5° |
| C12 | C13 | H13 | 118.8° | 119.7° |
| C12 | C17 | C16 | 122.4° | 120.5° |
| C12 | C17 | H17 | 118.8° | 119.7° |
| C14 | C13 | H13 | 118.8° | 119.8° |
| C13 | C14 | C15 | 118.4° | 119.5° |
| C13 | C14 | C20 | 120.3° | 121.0° |
| C15 | C14 | C20 | 121.3° | 119.4° |
| C14 | C15 | C16 | 119.5° | 119.2° |
| C14 | C15 | C23 | 117.6° | 119.6° |
| C14 | C20 | C21 | 119.1° | 119.8° |
| C14 | C20 | H20 | 120.4° | 120.1° |
| C16 | C15 | C23 | 122.9° | 121.2° |
| C15 | C16 | C17 | 119.2° | 118.9° |
| C15 | C16 | C27 | 123.6° | 120.6° |
| C15 | C23 | C22 | 120.4° | 119.5° |
| C15 | C23 | H23 | 119.8° | 120.3° |
| C17 | C16 | C27 | 117.2° | 120.5° |
| C16 | C17 | H17 | 118.8° | 119.8° |
| C16 | C27 | N28 | 178.4° | 180.0° |
| C21 | C20 | H20 | 120.5° | 120.1° |
| C20 | C21 | C22 | 120.7° | 121.0° |
| C20 | C21 | H21 | 119.7° | 119.5° |
| C22 | C21 | H21 | 119.6° | 119.5° |
| C21 | C22 | C23 | 120.9° | 120.6° |
| C21 | C22 | O29 | 119.2° | 119.7° |
| C23 | C22 | O29 | 119.9° | 119.7° |
| C22 | C23 | H23 | 119.8° | 120.2° |
| C22 | O29 | H29 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O10 | 180.0° | 179.9° |
| C1 | C2 | C3 | F11 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.0° | 0.5° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C2 | C1 | O10 | H10 | 8.9° | 90.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.2° |
| C6 | C1 | C2 | F11 | 179.9° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.9° | 179.9° |
| C6 | C1 | O10 | H10 | 171.1° | 89.9° |
| O10 | C1 | C2 | C3 | 179.9° | 179.7° |
| O10 | C1 | C2 | F11 | 0.1° | 0.0° |
| O10 | C1 | C6 | C5 | 180.0° | 180.0° |
| O10 | C1 | C6 | H6 | 0.0° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.4° |
| C2 | C3 | C4 | C5 | 0.2° | 0.5° |
| C2 | C3 | C4 | C12 | 179.8° | 179.7° |
| F11 | C2 | C3 | C4 | 180.0° | 179.8° |
| F11 | C2 | C3 | H3 | 0.0° | 0.3° |
| C3 | C4 | C5 | C12 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C3 | C4 | C5 | H5 | 179.8° | 179.7° |
| C3 | C4 | C12 | C13 | 157.2° | 40.0° |
| C3 | C4 | C12 | C17 | 23.1° | 140.0° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| H3 | C3 | C4 | C12 | 0.2° | 0.2° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | C12 | C13 | 22.8° | 140.2° |
| C5 | C4 | C12 | C17 | 156.9° | 39.8° |
| C12 | C4 | C5 | C6 | 179.8° | 180.0° |
| C12 | C4 | C5 | H5 | 0.2° | 0.1° |
| C4 | C12 | C13 | C17 | 179.7° | 179.9° |
| C4 | C12 | C13 | C14 | 179.8° | 179.9° |
| C4 | C12 | C13 | H13 | 0.1° | 0.0° |
| C4 | C12 | C17 | C16 | 179.9° | 180.0° |
| C4 | C12 | C17 | H17 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.7° | 0.1° |
| C12 | C13 | C14 | C20 | 179.9° | 180.0° |
| C13 | C12 | C17 | C16 | 0.4° | 0.0° |
| C13 | C12 | C17 | H17 | 179.7° | 180.0° |
| C17 | C12 | C13 | C14 | 0.4° | 0.0° |
| C17 | C12 | C13 | H13 | 179.6° | 179.9° |
| C12 | C17 | C16 | C15 | 0.6° | 0.0° |
| C12 | C17 | C16 | H17 | 180.0° | 180.0° |
| C12 | C17 | C16 | C27 | 179.9° | 180.0° |
| C13 | C14 | C15 | C20 | 179.2° | 179.9° |
| C13 | C14 | C15 | C16 | 0.9° | 0.1° |
| C13 | C14 | C15 | C23 | 180.0° | 179.7° |
| C13 | C14 | C20 | C21 | 179.9° | 179.9° |
| C13 | C14 | C20 | H20 | 0.1° | 0.1° |
| H13 | C13 | C14 | C15 | 179.3° | 180.0° |
| H13 | C13 | C14 | C20 | 0.1° | 0.1° |
| C14 | C15 | C16 | C23 | 179.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.9° | 0.0° |
| C14 | C15 | C16 | C27 | 179.6° | 180.0° |
| C15 | C14 | C20 | C21 | 0.6° | 0.0° |
| C15 | C14 | C20 | H20 | 179.4° | 180.0° |
| C14 | C15 | C23 | C22 | 0.6° | 0.5° |
| C14 | C15 | C23 | H23 | 179.4° | 179.7° |
| C20 | C14 | C15 | C16 | 179.8° | 180.0° |
| C20 | C14 | C15 | C23 | 0.8° | 0.2° |
| C14 | C20 | C21 | H20 | 180.0° | 180.0° |
| C14 | C20 | C21 | C22 | 0.4° | 0.0° |
| C14 | C20 | C21 | H21 | 179.6° | 180.0° |
| C15 | C16 | C17 | C27 | 179.5° | 180.0° |
| C15 | C16 | C17 | H17 | 179.4° | 180.0° |
| C16 | C15 | C23 | C22 | 179.7° | 179.8° |
| C16 | C15 | C23 | H23 | 0.3° | 0.0° |
| C15 | C16 | C27 | N28 | 50.4° | 56.4° |
| C23 | C15 | C16 | C17 | 179.9° | 179.8° |
| C23 | C15 | C16 | C27 | 0.6° | 0.3° |
| C15 | C23 | C22 | C21 | 0.4° | 0.5° |
| C15 | C23 | C22 | H23 | 180.0° | 179.8° |
| C15 | C23 | C22 | O29 | 179.8° | 179.8° |
| C17 | C16 | C27 | N28 | 130.0° | 123.6° |
| C27 | C16 | C17 | H17 | 0.1° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.3° | 0.3° |
| C20 | C21 | C22 | O29 | 179.9° | 180.0° |
| H20 | C20 | C21 | C22 | 179.6° | 179.9° |
| H20 | C20 | C21 | H21 | 0.4° | 0.0° |
| C21 | C22 | C23 | O29 | 179.8° | 179.7° |
| C21 | C22 | C23 | H23 | 179.6° | 179.7° |
| C21 | C22 | O29 | H29 | 32.5° | 90.0° |
| H21 | C21 | C22 | C23 | 179.7° | 179.8° |
| H21 | C21 | C22 | O29 | 0.1° | 0.1° |
| C23 | C22 | O29 | H29 | 147.6° | 90.2° |
| O29 | C22 | C23 | H23 | 0.2° | 0.0° |
