8FS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAJ | trip | 1.17Å | 1.03Å | |
| CAH | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAG | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAG | sing | 1.43Å | 1.40Å | |
| CAD | CAC | sing | 1.39Å | 1.41Å | Aromatic |
| CAG | CAF | doub | 1.40Å | 1.41Å | Aromatic |
| CAC | FAA | sing | 1.35Å | 1.39Å | |
| CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | FAE | sing | 1.35Å | 1.37Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.05Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAJ | CAG | 179.9° | 180.0° |
| CAJ | CAI | H4 | 180.0° | 180.0° |
| CAD | CAH | CAG | 119.3° | 119.9° |
| CAH | CAD | CAC | 120.4° | 120.2° |
| CAH | CAD | H2 | 119.8° | 119.9° |
| CAD | CAH | H3 | 120.3° | 120.1° |
| CAH | CAG | CAJ | 119.4° | 120.1° |
| CAH | CAG | CAF | 120.4° | 119.8° |
| CAG | CAH | H3 | 120.4° | 120.0° |
| CAJ | CAG | CAF | 120.2° | 120.1° |
| CAD | CAC | FAA | 120.1° | 119.9° |
| CAD | CAC | CAB | 120.3° | 120.3° |
| CAC | CAD | H2 | 119.8° | 119.9° |
| CAG | CAF | CAB | 120.1° | 119.8° |
| CAG | CAF | FAE | 120.4° | 120.1° |
| FAA | CAC | CAB | 119.7° | 119.9° |
| CAC | CAB | CAF | 119.6° | 120.1° |
| CAC | CAB | H1 | 120.2° | 120.0° |
| CAB | CAF | FAE | 119.5° | 120.1° |
| CAF | CAB | H1 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAJ | CAG | CAH | 85.0° | 162.2° |
| CAI | CAJ | CAG | CAF | 94.9° | 17.2° |
| CAD | CAH | CAG | H3 | 180.0° | 179.7° |
| CAD | CAH | CAG | CAJ | 179.9° | 180.0° |
| CAH | CAD | CAC | H2 | 180.0° | 180.0° |
| CAD | CAH | CAG | CAF | 0.2° | 0.6° |
| CAH | CAD | CAC | FAA | 179.8° | 180.0° |
| CAH | CAD | CAC | CAB | 0.1° | 0.0° |
| CAH | CAG | CAJ | CAF | 179.9° | 179.5° |
| CAG | CAH | CAD | CAC | 0.1° | 0.3° |
| CAH | CAG | CAF | CAB | 0.4° | 0.5° |
| CAH | CAG | CAF | FAE | 179.9° | 179.7° |
| CAG | CAH | CAD | H2 | 179.9° | 179.7° |
| CAJ | CAG | CAF | CAB | 179.7° | 180.0° |
| CAJ | CAG | CAF | FAE | 0.1° | 0.2° |
| CAJ | CAG | CAH | H3 | 0.1° | 0.2° |
| CAG | CAJ | CAI | H4 | 63.4° | 2.7° |
| CAD | CAC | FAA | CAB | 179.9° | 180.0° |
| CAD | CAC | CAB | CAF | 0.3° | 0.0° |
| CAD | CAC | CAB | H1 | 179.7° | 180.0° |
| CAC | CAD | CAH | H3 | 179.9° | 179.9° |
| CAG | CAF | CAB | CAC | 0.5° | 0.2° |
| CAG | CAF | CAB | FAE | 179.6° | 179.8° |
| CAG | CAF | CAB | H1 | 179.6° | 179.7° |
| CAF | CAG | CAH | H3 | 179.8° | 179.7° |
| FAA | CAC | CAB | CAF | 179.6° | 180.0° |
| FAA | CAC | CAB | H1 | 0.4° | 0.0° |
| FAA | CAC | CAD | H2 | 0.2° | 0.1° |
| CAC | CAB | CAF | H1 | 180.0° | 180.0° |
| CAC | CAB | CAF | FAE | 179.9° | 180.0° |
| CAB | CAC | CAD | H2 | 179.9° | 180.0° |
| FAE | CAF | CAB | H1 | 0.1° | 0.0° |
| H2 | CAD | CAH | H3 | 0.1° | 0.0° |
