DEI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | SAF | sing | 1.81Å | 1.82Å | |
| SAF | CAE | sing | 1.76Å | 1.75Å | |
| CAE | CAH | doub | 1.35Å | 1.38Å | |
| CAH | CAG | sing | 1.41Å | 1.55Å | |
| CAH | OAD | sing | 1.36Å | 1.35Å | |
| CAG | OAB | sing | 1.35Å | 1.26Å | |
| CAG | OAC | doub | 1.22Å | 1.24Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | SAF | CAE | 102.5° | 100.0° |
| SAF | CAA | HAA | 109.5° | 109.5° |
| SAF | CAA | HAAA | 109.5° | 109.5° |
| SAF | CAA | HAAB | 109.5° | 109.5° |
| SAF | CAE | CAH | 116.6° | 120.0° |
| SAF | CAE | HAE | 121.7° | 120.0° |
| CAE | CAH | CAG | 122.9° | 120.0° |
| CAE | CAH | OAD | 117.5° | 120.0° |
| CAH | CAE | HAE | 121.7° | 120.0° |
| CAG | CAH | OAD | 119.6° | 120.0° |
| CAH | CAG | OAB | 125.2° | 119.9° |
| CAH | CAG | OAC | 111.7° | 120.0° |
| CAH | OAD | HOAD | 109.5° | 114.0° |
| OAB | CAG | OAC | 123.0° | 120.0° |
| CAG | OAB | HOAB | 109.5° | 113.9° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | SAF | CAE | CAH | 175.8° | 180.0° |
| SAF | CAA | HAA | HAAA | 120.0° | 120.0° |
| SAF | CAA | HAA | HAAB | 120.0° | 120.0° |
| SAF | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | SAF | CAE | HAE | 4.2° | 0.0° |
| SAF | CAE | CAH | HAE | 180.0° | 180.0° |
| SAF | CAE | CAH | CAG | 179.8° | 180.0° |
| SAF | CAE | CAH | OAD | 1.7° | 0.0° |
| CAE | SAF | CAA | HAA | 48.6° | 180.0° |
| CAE | SAF | CAA | HAAA | 168.6° | 60.0° |
| CAE | SAF | CAA | HAAB | 71.4° | 60.0° |
| CAE | CAH | CAG | OAD | 178.5° | 180.0° |
| CAE | CAH | CAG | OAB | 0.9° | 180.0° |
| CAE | CAH | CAG | OAC | 178.6° | 0.0° |
| CAE | CAH | OAD | HOAD | 47.9° | 180.0° |
| CAH | CAG | OAB | OAC | 177.5° | 180.0° |
| CAG | CAH | CAE | HAE | 0.2° | 0.0° |
| CAH | CAG | OAB | HOAB | 177.5° | 180.0° |
| CAG | CAH | OAD | HOAD | 133.5° | 0.0° |
| OAD | CAH | CAG | OAB | 177.6° | 0.0° |
| OAD | CAH | CAG | OAC | 0.1° | 180.0° |
| OAD | CAH | CAE | HAE | 178.3° | 180.0° |
| OAC | CAG | OAB | HOAB | 0.0° | 0.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
