2XH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.36Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C11 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | SAH | sing | 1.76Å | 1.77Å | |
| C10 | C12 | doub | 1.41Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.42Å | 1.36Å | Aromatic |
| C11 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.43Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| SAH | H8 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 119.4° | 121.1° |
| C8 | C9 | C10 | 120.3° | 120.7° |
| C9 | C8 | H5 | 120.3° | 119.4° |
| C8 | C9 | H6 | 119.8° | 119.7° |
| C8 | C7 | C11 | 120.0° | 120.0° |
| C8 | C7 | H4 | 120.0° | 120.0° |
| C7 | C8 | H5 | 120.3° | 119.5° |
| C9 | C10 | SAH | 120.7° | 120.3° |
| C9 | C10 | C12 | 120.3° | 119.4° |
| C10 | C9 | H6 | 119.9° | 119.6° |
| C7 | C11 | C12 | 121.1° | 119.5° |
| C7 | C11 | C6 | 118.8° | 121.2° |
| C11 | C7 | H4 | 120.0° | 120.0° |
| SAH | C10 | C12 | 118.9° | 120.3° |
| C10 | SAH | H8 | 102.0° | 103.0° |
| C10 | C12 | C11 | 118.9° | 119.3° |
| C10 | C12 | C13 | 120.9° | 121.3° |
| C12 | C11 | C6 | 120.1° | 119.3° |
| C11 | C12 | C13 | 120.2° | 119.4° |
| C11 | C6 | C5 | 119.4° | 119.7° |
| C11 | C6 | H3 | 120.3° | 120.1° |
| C12 | C13 | C14 | 119.0° | 119.7° |
| C12 | C13 | H7 | 120.5° | 120.2° |
| C6 | C5 | C14 | 119.9° | 121.0° |
| C6 | C5 | H2 | 120.0° | 119.6° |
| C5 | C6 | H3 | 120.3° | 120.2° |
| C13 | C14 | C5 | 121.3° | 121.0° |
| C13 | C14 | H1 | 119.3° | 119.5° |
| C14 | C13 | H7 | 120.5° | 120.1° |
| C5 | C14 | H1 | 119.4° | 119.5° |
| C14 | C5 | H2 | 120.1° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C8 | C9 | C10 | H6 | 180.0° | 180.0° |
| C9 | C8 | C7 | C11 | 0.2° | 0.0° |
| C8 | C9 | C10 | SAH | 178.9° | 180.0° |
| C8 | C9 | C10 | C12 | 0.1° | 0.1° |
| C9 | C8 | C7 | H4 | 179.8° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C8 | C7 | C11 | H4 | 180.0° | 180.0° |
| C8 | C7 | C11 | C12 | 0.5° | 0.0° |
| C8 | C7 | C11 | C6 | 179.9° | 179.8° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C9 | C10 | SAH | C12 | 178.9° | 179.9° |
| C9 | C10 | C12 | C11 | 0.4° | 0.1° |
| C9 | C10 | C12 | C13 | 179.2° | 179.9° |
| C10 | C9 | C8 | H5 | 180.0° | 179.9° |
| C9 | C10 | SAH | H8 | 180.0° | 90.0° |
| C7 | C11 | C12 | C10 | 0.6° | 0.1° |
| C7 | C11 | C12 | C6 | 179.6° | 179.8° |
| C7 | C11 | C12 | C13 | 179.4° | 180.0° |
| C7 | C11 | C6 | C5 | 178.9° | 179.8° |
| C7 | C11 | C6 | H3 | 1.1° | 0.2° |
| C11 | C7 | C8 | H5 | 179.8° | 180.0° |
| SAH | C10 | C12 | C11 | 179.2° | 180.0° |
| SAH | C10 | C12 | C13 | 2.0° | 0.0° |
| SAH | C10 | C9 | H6 | 1.0° | 0.0° |
| C10 | C12 | C11 | C13 | 178.8° | 180.0° |
| C10 | C12 | C11 | C6 | 179.9° | 179.8° |
| C10 | C12 | C13 | C14 | 179.7° | 179.5° |
| C12 | C10 | C9 | H6 | 179.9° | 180.0° |
| C10 | C12 | C13 | H7 | 0.3° | 0.0° |
| C12 | C10 | SAH | H8 | 1.1° | 90.0° |
| C12 | C11 | C6 | C5 | 0.7° | 0.1° |
| C11 | C12 | C13 | C14 | 1.6° | 0.5° |
| C12 | C11 | C6 | H3 | 179.3° | 180.0° |
| C12 | C11 | C7 | H4 | 179.5° | 180.0° |
| C11 | C12 | C13 | H7 | 178.4° | 180.0° |
| C6 | C11 | C12 | C13 | 1.0° | 0.2° |
| C11 | C6 | C5 | H3 | 180.0° | 179.9° |
| C11 | C6 | C5 | C14 | 1.9° | 0.1° |
| C11 | C6 | C5 | H2 | 178.1° | 180.0° |
| C6 | C11 | C7 | H4 | 0.1° | 0.2° |
| C12 | C13 | C14 | H7 | 180.0° | 179.5° |
| C12 | C13 | C14 | C5 | 0.3° | 0.5° |
| C12 | C13 | C14 | H1 | 179.7° | 179.7° |
| C6 | C5 | C14 | C13 | 1.4° | 0.2° |
| C6 | C5 | C14 | H2 | 180.0° | 179.9° |
| C6 | C5 | C14 | H1 | 178.5° | 180.0° |
| C13 | C14 | C5 | H1 | 180.0° | 179.7° |
| C13 | C14 | C5 | H2 | 178.6° | 179.7° |
| C14 | C5 | C6 | H3 | 178.1° | 180.0° |
| C5 | C14 | C13 | H7 | 179.7° | 180.0° |
| H1 | C14 | C5 | H2 | 1.5° | 0.1° |
| H1 | C14 | C13 | H7 | 0.3° | 0.2° |
| H2 | C5 | C6 | H3 | 1.9° | 0.1° |
| H4 | C7 | C8 | H5 | 0.2° | 0.0° |
| H5 | C8 | C9 | H6 | 0.0° | 0.0° |
