TFS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | FAC | sing | 1.40Å | 1.32Å | |
| FAG | CAD | sing | 1.40Å | 1.32Å | |
| FAA | CAD | sing | 1.40Å | 1.32Å | |
| CAD | SAE | sing | 1.81Å | 1.67Å | |
| OAF | SAE | doub | 1.42Å | 1.47Å | |
| SAE | OAB | doub | 1.42Å | 1.49Å | |
| SAE | OAH | sing | 1.52Å | 1.48Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAC | CAD | FAG | 108.5° | 109.5° |
| FAC | CAD | FAA | 109.0° | 109.5° |
| FAC | CAD | SAE | 110.5° | 109.4° |
| FAG | CAD | FAA | 108.5° | 109.5° |
| FAG | CAD | SAE | 109.7° | 109.4° |
| FAA | CAD | SAE | 110.6° | 109.5° |
| CAD | SAE | OAF | 109.2° | 110.5° |
| CAD | SAE | OAB | 107.5° | 110.5° |
| CAD | SAE | OAH | 110.5° | 104.5° |
| OAF | SAE | OAB | 110.9° | 121.1° |
| OAF | SAE | OAH | 109.7° | 104.3° |
| OAB | SAE | OAH | 109.0° | 104.3° |
| SAE | OAH | HOAH | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAC | CAD | FAG | FAA | 118.3° | 120.1° |
| FAC | CAD | FAG | SAE | 120.8° | 119.9° |
| FAC | CAD | FAA | SAE | 121.7° | 120.0° |
| FAC | CAD | SAE | OAF | 168.8° | 171.6° |
| FAC | CAD | SAE | OAB | 48.4° | 51.7° |
| FAC | CAD | SAE | OAH | 70.4° | 60.0° |
| FAG | CAD | FAA | SAE | 120.4° | 120.0° |
| FAG | CAD | SAE | OAF | 49.3° | 51.6° |
| FAG | CAD | SAE | OAB | 71.1° | 171.6° |
| FAG | CAD | SAE | OAH | 170.0° | 60.0° |
| FAA | CAD | SAE | OAF | 70.4° | 68.4° |
| FAA | CAD | SAE | OAB | 169.2° | 68.4° |
| FAA | CAD | SAE | OAH | 50.3° | 180.0° |
| CAD | SAE | OAF | OAB | 118.3° | 131.5° |
| CAD | SAE | OAF | OAH | 121.3° | 111.7° |
| CAD | SAE | OAB | OAH | 119.9° | 111.7° |
| CAD | SAE | OAH | HOAH | 177.2° | 180.0° |
| OAF | SAE | OAB | OAH | 120.9° | 116.8° |
| OAF | SAE | OAH | HOAH | 56.7° | 63.9° |
| OAB | SAE | OAH | HOAH | 64.8° | 63.9° |
