4SO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SAF | OAA | doub | 1.42Å | 1.49Å | |
| OAB | CAH | doub | 1.22Å | 1.25Å | |
| CAI | CAC | doub | 1.40Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAK | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | SAF | sing | 1.76Å | 1.73Å | |
| OAL | SAF | doub | 1.42Å | 1.49Å | |
| NAG | SAF | sing | 1.66Å | 1.61Å | |
| NAG | HNAG | sing | 0.97Å | 1.00Å | |
| NAG | HNAA | sing | 0.97Å | 1.00Å | |
| CAH | CAI | sing | 1.48Å | 1.53Å | |
| CAH | OAM | sing | 1.35Å | 1.25Å | |
| CAJ | CAI | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| OAM | HOAM | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | SAF | CAE | 109.5° | 106.4° |
| OAA | SAF | OAL | 110.9° | 123.2° |
| OAA | SAF | NAG | 109.4° | 106.4° |
| OAB | CAH | CAI | 118.1° | 120.0° |
| OAB | CAH | OAM | 123.6° | 120.0° |
| CAI | CAC | CAD | 120.1° | 119.8° |
| CAI | CAC | HAC | 119.9° | 120.1° |
| CAC | CAI | CAH | 120.5° | 120.1° |
| CAC | CAI | CAJ | 120.2° | 119.7° |
| CAD | CAC | HAC | 120.0° | 120.1° |
| CAC | CAD | CAE | 119.2° | 120.2° |
| CAC | CAD | HAD | 120.4° | 120.0° |
| CAE | CAD | HAD | 120.4° | 119.9° |
| CAD | CAE | CAK | 120.7° | 120.3° |
| CAD | CAE | SAF | 120.9° | 119.9° |
| CAK | CAE | SAF | 118.5° | 119.9° |
| CAE | CAK | CAJ | 120.1° | 120.2° |
| CAE | CAK | HAK | 119.9° | 119.9° |
| CAE | SAF | OAL | 107.7° | 106.4° |
| CAE | SAF | NAG | 110.1° | 107.2° |
| OAL | SAF | NAG | 109.3° | 106.4° |
| SAF | NAG | HNAG | 109.5° | 120.0° |
| SAF | NAG | HNAA | 109.4° | 120.0° |
| HNAG | NAG | HNAA | 109.5° | 120.1° |
| CAI | CAH | OAM | 118.1° | 120.0° |
| CAH | CAI | CAJ | 119.2° | 120.2° |
| CAH | OAM | HOAM | 109.5° | 117.0° |
| CAI | CAJ | CAK | 119.7° | 119.9° |
| CAI | CAJ | HAJ | 120.2° | 120.1° |
| CAK | CAJ | HAJ | 120.1° | 120.0° |
| CAJ | CAK | HAK | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | SAF | CAE | CAD | 2.4° | 156.5° |
| OAA | SAF | CAE | CAK | 178.5° | 23.6° |
| OAA | SAF | CAE | OAL | 120.7° | 132.9° |
| OAA | SAF | CAE | NAG | 120.3° | 113.6° |
| OAA | SAF | OAL | NAG | 120.6° | 123.0° |
| OAA | SAF | NAG | HNAG | 180.0° | 36.4° |
| OAA | SAF | NAG | HNAA | 60.0° | 143.5° |
| OAB | CAH | CAI | CAC | 176.2° | 0.0° |
| OAB | CAH | CAI | OAM | 174.7° | 180.0° |
| OAB | CAH | CAI | CAJ | 5.4° | 180.0° |
| OAB | CAH | OAM | HOAM | 0.0° | 0.1° |
| CAI | CAC | CAD | HAC | 180.0° | 179.7° |
| CAI | CAC | CAD | CAE | 0.5° | 0.3° |
| CAI | CAC | CAD | HAD | 179.5° | 179.7° |
| CAC | CAI | CAH | CAJ | 178.4° | 180.0° |
| CAC | CAI | CAH | OAM | 9.2° | 180.0° |
| CAC | CAI | CAJ | CAK | 0.3° | 0.6° |
| CAC | CAI | CAJ | HAJ | 179.7° | 180.0° |
| CAC | CAD | CAE | HAD | 180.0° | 180.0° |
| CAC | CAD | CAE | CAK | 0.1° | 0.0° |
| CAC | CAD | CAE | SAF | 179.1° | 180.0° |
| CAD | CAC | CAI | CAH | 179.1° | 180.0° |
| CAD | CAC | CAI | CAJ | 0.7° | 0.0° |
| HAC | CAC | CAD | CAE | 179.5° | 180.0° |
| HAC | CAC | CAD | HAD | 0.5° | 0.1° |
| HAC | CAC | CAI | CAH | 0.9° | 0.3° |
| HAC | CAC | CAI | CAJ | 179.3° | 179.7° |
| CAD | CAE | CAK | SAF | 179.1° | 180.0° |
| CAD | CAE | SAF | OAL | 118.2° | 23.5° |
| CAD | CAE | SAF | NAG | 122.7° | 90.0° |
| CAD | CAE | CAK | CAJ | 0.4° | 0.6° |
| CAD | CAE | CAK | HAK | 179.6° | 179.7° |
| HAD | CAD | CAE | CAK | 179.9° | 180.0° |
| HAD | CAD | CAE | SAF | 0.9° | 0.0° |
| CAK | CAE | SAF | OAL | 60.8° | 156.5° |
| CAK | CAE | SAF | NAG | 58.2° | 90.0° |
| CAE | CAK | CAJ | CAI | 0.2° | 0.9° |
| CAE | CAK | CAJ | HAK | 180.0° | 179.2° |
| CAE | CAK | CAJ | HAJ | 179.8° | 179.7° |
| CAE | SAF | OAL | NAG | 119.6° | 114.1° |
| CAE | SAF | NAG | HNAG | 59.7° | 149.9° |
| CAE | SAF | NAG | HNAA | 179.6° | 29.9° |
| SAF | CAE | CAK | CAJ | 179.5° | 179.4° |
| SAF | CAE | CAK | HAK | 0.5° | 0.2° |
| OAL | SAF | NAG | HNAG | 58.5° | 96.6° |
| OAL | SAF | NAG | HNAA | 61.5° | 83.6° |
| SAF | NAG | HNAG | HNAA | 120.0° | 179.8° |
| CAH | CAI | CAJ | CAK | 178.8° | 179.4° |
| CAH | CAI | CAJ | HAJ | 1.2° | 0.0° |
| CAI | CAH | OAM | HOAM | 174.4° | 179.9° |
| OAM | CAH | CAI | CAJ | 169.3° | 0.0° |
| CAI | CAJ | CAK | HAJ | 180.0° | 179.4° |
| CAI | CAJ | CAK | HAK | 179.8° | 180.0° |
| HAJ | CAJ | CAK | HAK | 0.2° | 0.6° |






