DFE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAI | sing | 1.53Å | 1.55Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAI | FAB | sing | 1.40Å | 1.33Å | |
| CAI | FAC | sing | 1.40Å | 1.33Å | |
| CAI | OAH | sing | 1.43Å | 1.46Å | |
| OAH | CAG | sing | 1.43Å | 1.46Å | |
| CAG | CAJ | sing | 1.53Å | 1.52Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAJ | FAE | sing | 1.40Å | 1.34Å | |
| CAJ | FAF | sing | 1.40Å | 1.33Å | |
| CAJ | FAD | sing | 1.40Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAA | HAA1 | 109.5° | 109.5° |
| CAI | CAA | HAA2 | 109.5° | 109.5° |
| CAI | CAA | HAA3 | 109.4° | 109.5° |
| CAA | CAI | FAB | 107.9° | 109.5° |
| CAA | CAI | FAC | 110.9° | 109.5° |
| CAA | CAI | OAH | 110.6° | 109.5° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| FAB | CAI | FAC | 108.3° | 109.5° |
| FAB | CAI | OAH | 108.7° | 109.4° |
| FAC | CAI | OAH | 110.2° | 109.5° |
| CAI | OAH | CAG | 115.7° | 106.8° |
| OAH | CAG | CAJ | 110.0° | 109.5° |
| OAH | CAG | HAG1 | 109.3° | 109.5° |
| OAH | CAG | HAG2 | 109.1° | 109.5° |
| CAJ | CAG | HAG1 | 109.3° | 109.4° |
| CAJ | CAG | HAG2 | 109.2° | 109.5° |
| CAG | CAJ | FAE | 108.7° | 109.5° |
| CAG | CAJ | FAF | 109.7° | 109.5° |
| CAG | CAJ | FAD | 110.1° | 109.5° |
| HAG1 | CAG | HAG2 | 109.9° | 109.5° |
| FAE | CAJ | FAF | 110.8° | 109.5° |
| FAE | CAJ | FAD | 109.8° | 109.5° |
| FAF | CAJ | FAD | 107.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAI | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAI | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAI | FAB | FAC | 120.2° | 120.0° |
| CAA | CAI | FAB | OAH | 120.1° | 120.0° |
| CAA | CAI | FAC | OAH | 122.9° | 120.0° |
| CAA | CAI | OAH | CAG | 92.0° | 180.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAA1 | CAA | CAI | FAB | 89.8° | 60.0° |
| HAA1 | CAA | CAI | FAC | 28.7° | 180.0° |
| HAA1 | CAA | CAI | OAH | 151.3° | 60.0° |
| HAA2 | CAA | CAI | FAB | 150.2° | 180.0° |
| HAA2 | CAA | CAI | FAC | 91.3° | 60.0° |
| HAA2 | CAA | CAI | OAH | 31.3° | 60.0° |
| HAA3 | CAA | CAI | FAB | 30.2° | 60.0° |
| HAA3 | CAA | CAI | FAC | 148.7° | 60.0° |
| HAA3 | CAA | CAI | OAH | 88.7° | 180.0° |
| FAB | CAI | FAC | OAH | 118.8° | 120.0° |
| FAB | CAI | OAH | CAG | 149.6° | 60.0° |
| FAC | CAI | OAH | CAG | 31.1° | 60.0° |
| CAI | OAH | CAG | CAJ | 173.1° | 180.0° |
| CAI | OAH | CAG | HAG1 | 66.9° | 60.1° |
| CAI | OAH | CAG | HAG2 | 53.3° | 60.0° |
| OAH | CAG | CAJ | HAG1 | 120.0° | 120.0° |
| OAH | CAG | CAJ | HAG2 | 119.8° | 120.1° |
| OAH | CAG | HAG1 | HAG2 | 119.8° | 120.1° |
| OAH | CAG | CAJ | FAE | 30.7° | 60.0° |
| OAH | CAG | CAJ | FAF | 151.9° | 180.0° |
| OAH | CAG | CAJ | FAD | 89.6° | 60.0° |
| CAJ | CAG | HAG1 | HAG2 | 119.8° | 120.0° |
| CAG | CAJ | FAE | FAF | 120.6° | 120.0° |
| CAG | CAJ | FAE | FAD | 120.5° | 120.0° |
| CAG | CAJ | FAF | FAD | 119.9° | 120.0° |
| HAG1 | CAG | CAJ | FAE | 89.3° | 60.0° |
| HAG1 | CAG | CAJ | FAF | 31.9° | 60.0° |
| HAG1 | CAG | CAJ | FAD | 150.4° | 180.0° |
| HAG2 | CAG | CAJ | FAE | 150.4° | 180.0° |
| HAG2 | CAG | CAJ | FAF | 88.4° | 60.0° |
| HAG2 | CAG | CAJ | FAD | 30.1° | 60.0° |
| FAE | CAJ | FAF | FAD | 120.2° | 120.0° |
