9TA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | C9 | sing | 1.48Å | 1.47Å | |
| C9 | O9 | doub | 1.22Å | 1.24Å | |
| C9 | C11 | sing | 1.48Å | 1.47Å | |
| C14 | C10 | sing | 1.48Å | 1.47Å | |
| O10 | C10 | doub | 1.21Å | 1.24Å | |
| C10 | C12 | sing | 1.48Å | 1.47Å | |
| C12 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.41Å | 1.39Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C1 | C2 | 120.1° | 119.8° |
| C11 | C1 | H1 | 120.0° | 120.1° |
| C1 | C11 | C9 | 120.1° | 120.6° |
| C1 | C11 | C12 | 119.9° | 119.8° |
| C2 | C1 | H1 | 119.9° | 120.1° |
| C1 | C2 | C3 | 120.0° | 120.5° |
| C1 | C2 | H2 | 120.0° | 119.7° |
| C3 | C2 | H2 | 120.0° | 119.8° |
| C2 | C3 | C4 | 120.0° | 120.5° |
| C2 | C3 | H3 | 120.0° | 119.8° |
| C4 | C3 | H3 | 120.0° | 119.8° |
| C3 | C4 | C12 | 120.1° | 119.8° |
| C3 | C4 | H4 | 120.0° | 120.1° |
| C12 | C4 | H4 | 119.9° | 120.1° |
| C4 | C12 | C10 | 120.1° | 120.6° |
| C4 | C12 | C11 | 119.9° | 119.7° |
| C6 | C5 | C14 | 120.3° | 119.8° |
| C6 | C5 | H5 | 119.9° | 120.1° |
| C5 | C6 | C7 | 119.8° | 120.5° |
| C5 | C6 | H6 | 120.1° | 119.8° |
| C14 | C5 | H5 | 119.9° | 120.1° |
| C5 | C14 | C10 | 120.2° | 120.6° |
| C5 | C14 | C13 | 119.9° | 119.7° |
| C7 | C6 | H6 | 120.1° | 119.7° |
| C6 | C7 | C8 | 120.2° | 120.5° |
| C6 | C7 | H7 | 119.9° | 119.8° |
| C8 | C7 | H7 | 119.9° | 119.7° |
| C7 | C8 | C13 | 120.0° | 119.6° |
| C7 | C8 | H8 | 120.0° | 120.1° |
| C13 | C8 | H8 | 120.0° | 120.3° |
| C8 | C13 | C9 | 120.1° | 120.5° |
| C8 | C13 | C14 | 119.8° | 119.9° |
| C13 | C9 | O9 | 119.9° | 120.4° |
| C13 | C9 | C11 | 119.9° | 119.2° |
| C9 | C13 | C14 | 120.1° | 119.6° |
| O9 | C9 | C11 | 120.1° | 120.4° |
| C9 | C11 | C12 | 120.0° | 119.6° |
| C14 | C10 | O10 | 119.8° | 120.4° |
| C14 | C10 | C12 | 120.1° | 119.2° |
| C10 | C14 | C13 | 120.0° | 119.7° |
| O10 | C10 | C12 | 120.1° | 120.4° |
| C10 | C12 | C11 | 119.9° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C1 | C2 | H1 | 180.0° | 179.7° |
| C11 | C1 | C2 | C3 | 0.4° | 0.3° |
| C11 | C1 | C2 | H2 | 179.6° | 179.8° |
| C1 | C11 | C12 | C4 | 0.9° | 0.4° |
| C1 | C11 | C9 | C13 | 179.8° | 166.2° |
| C1 | C11 | C9 | O9 | 2.5° | 13.8° |
| C1 | C11 | C9 | C12 | 177.9° | 179.6° |
| C1 | C11 | C12 | C10 | 179.4° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C1 | C2 | C3 | H3 | 179.6° | 179.9° |
| C2 | C1 | C11 | C9 | 179.0° | 180.0° |
| C2 | C1 | C11 | C12 | 1.0° | 0.4° |
| H1 | C1 | C2 | C3 | 179.6° | 180.0° |
| H1 | C1 | C2 | H2 | 0.4° | 0.1° |
| H1 | C1 | C11 | C9 | 1.0° | 0.3° |
| H1 | C1 | C11 | C12 | 178.9° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C12 | 0.5° | 0.0° |
| C2 | C3 | C4 | H4 | 179.5° | 180.0° |
| H2 | C2 | C3 | C4 | 179.6° | 180.0° |
| H2 | C2 | C3 | H3 | 0.4° | 0.0° |
| C3 | C4 | C12 | H4 | 180.0° | 180.0° |
| C3 | C4 | C12 | C10 | 178.7° | 180.0° |
| C3 | C4 | C12 | C11 | 0.1° | 0.2° |
| H3 | C3 | C4 | C12 | 179.5° | 180.0° |
| H3 | C3 | C4 | H4 | 0.5° | 0.0° |
| C4 | C12 | C11 | C9 | 178.8° | 180.0° |
| C4 | C12 | C10 | C14 | 179.7° | 166.2° |
| C4 | C12 | C10 | O10 | 1.6° | 13.8° |
| C4 | C12 | C10 | C11 | 178.5° | 179.8° |
| H4 | C4 | C12 | C10 | 1.4° | 0.1° |
| H4 | C4 | C12 | C11 | 179.9° | 179.8° |
| C6 | C5 | C14 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 2.6° | 0.5° |
| C5 | C6 | C7 | H7 | 177.4° | 180.0° |
| C6 | C5 | C14 | C10 | 179.5° | 180.0° |
| C6 | C5 | C14 | C13 | 0.3° | 0.5° |
| C14 | C5 | C6 | C7 | 1.6° | 0.0° |
| C14 | C5 | C6 | H6 | 178.5° | 180.0° |
| C5 | C14 | C13 | C8 | 1.2° | 0.6° |
| C5 | C14 | C13 | C9 | 179.8° | 179.8° |
| C5 | C14 | C10 | C13 | 179.1° | 179.5° |
| C5 | C14 | C10 | O10 | 0.9° | 13.8° |
| C5 | C14 | C10 | C12 | 179.0° | 166.2° |
| H5 | C5 | C6 | C7 | 178.4° | 180.0° |
| H5 | C5 | C6 | H6 | 1.5° | 0.0° |
| H5 | C5 | C14 | C10 | 0.5° | 0.0° |
| H5 | C5 | C14 | C13 | 179.7° | 179.5° |
| C6 | C7 | C8 | H7 | 180.0° | 179.5° |
| C6 | C7 | C8 | C13 | 1.7° | 0.5° |
| C6 | C7 | C8 | H8 | 178.3° | 180.0° |
| H6 | C6 | C7 | C8 | 177.4° | 179.5° |
| H6 | C6 | C7 | H7 | 2.6° | 0.0° |
| C7 | C8 | C13 | H8 | 180.0° | 179.6° |
| C7 | C8 | C13 | C9 | 179.2° | 179.4° |
| C7 | C8 | C13 | C14 | 0.2° | 0.1° |
| H7 | C7 | C8 | C13 | 178.3° | 179.9° |
| H7 | C7 | C8 | H8 | 1.7° | 0.5° |
| C8 | C13 | C9 | C14 | 179.0° | 179.3° |
| C8 | C13 | C9 | O9 | 1.1° | 13.7° |
| C8 | C13 | C9 | C11 | 178.8° | 166.3° |
| C8 | C13 | C14 | C10 | 179.6° | 179.9° |
| H8 | C8 | C13 | C9 | 0.8° | 0.2° |
| H8 | C8 | C13 | C14 | 179.8° | 179.5° |
| C13 | C9 | O9 | C11 | 177.7° | 180.0° |
| C9 | C13 | C14 | C10 | 0.7° | 0.6° |
| C13 | C9 | C11 | C12 | 1.8° | 14.2° |
| O9 | C9 | C11 | C12 | 179.5° | 165.8° |
| O9 | C9 | C13 | C14 | 177.8° | 165.6° |
| C9 | C11 | C12 | C10 | 2.6° | 0.3° |
| C11 | C9 | C13 | C14 | 0.2° | 14.4° |
| C14 | C10 | O10 | C12 | 178.1° | 180.0° |
| C14 | C10 | C12 | C11 | 1.8° | 13.5° |
| O10 | C10 | C12 | C11 | 179.9° | 166.5° |
| O10 | C10 | C14 | C13 | 178.2° | 166.7° |
| C12 | C10 | C14 | C13 | 0.1° | 13.3° |
