SH6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAB | doub | 1.21Å | 1.25Å | |
| OAC | CAB | sing | 1.34Å | 1.25Å | |
| CAB | CAD | sing | 1.51Å | 1.53Å | |
| CAD | CAE | sing | 1.53Å | 1.53Å | |
| CAE | CAF | sing | 1.53Å | 1.53Å | |
| CAF | CAG | sing | 1.53Å | 1.53Å | |
| CAG | CAH | sing | 1.53Å | 1.53Å | |
| CAH | CAI | sing | 1.53Å | 1.53Å | |
| BRA | CAJ | sing | 1.97Å | 1.95Å | |
| CAI | CAJ | sing | 1.53Å | 1.53Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| CAD | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.09Å | 1.10Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAF | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| CAI | H12 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å | |
| CAJ | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAB | OAC | 126.1° | 120.0° |
| OAA | CAB | CAD | 117.0° | 120.0° |
| OAC | CAB | CAD | 116.9° | 120.0° |
| CAB | OAC | H1 | 109.5° | 117.0° |
| CAB | CAD | CAE | 109.3° | 109.5° |
| CAB | CAD | H2 | 109.5° | 109.5° |
| CAB | CAD | H3 | 109.5° | 109.4° |
| CAD | CAE | CAF | 109.8° | 109.5° |
| CAE | CAD | H2 | 109.5° | 109.5° |
| CAE | CAD | H3 | 109.5° | 109.5° |
| CAD | CAE | H4 | 109.4° | 109.5° |
| CAD | CAE | H5 | 109.4° | 109.5° |
| CAE | CAF | CAG | 109.6° | 109.5° |
| CAF | CAE | H4 | 109.4° | 109.5° |
| CAF | CAE | H5 | 109.4° | 109.4° |
| CAE | CAF | H6 | 109.4° | 109.5° |
| CAE | CAF | H7 | 109.4° | 109.5° |
| CAF | CAG | CAH | 109.6° | 109.5° |
| CAG | CAF | H6 | 109.4° | 109.5° |
| CAG | CAF | H7 | 109.5° | 109.5° |
| CAF | CAG | H8 | 109.4° | 109.4° |
| CAF | CAG | H9 | 109.4° | 109.5° |
| CAG | CAH | CAI | 109.8° | 109.5° |
| CAH | CAG | H8 | 109.5° | 109.5° |
| CAH | CAG | H9 | 109.4° | 109.5° |
| CAG | CAH | H10 | 109.4° | 109.5° |
| CAG | CAH | H11 | 109.4° | 109.5° |
| CAH | CAI | CAJ | 109.3° | 109.5° |
| CAI | CAH | H10 | 109.4° | 109.5° |
| CAI | CAH | H11 | 109.4° | 109.4° |
| CAH | CAI | H12 | 109.5° | 109.5° |
| CAH | CAI | H13 | 109.5° | 109.4° |
| BRA | CAJ | CAI | 109.7° | 109.5° |
| BRA | CAJ | H14 | 109.4° | 109.5° |
| BRA | CAJ | H15 | 109.4° | 109.4° |
| CAJ | CAI | H12 | 109.5° | 109.5° |
| CAJ | CAI | H13 | 109.5° | 109.5° |
| CAI | CAJ | H14 | 109.4° | 109.5° |
| CAI | CAJ | H15 | 109.4° | 109.5° |
| H2 | CAD | H3 | 109.5° | 109.4° |
| H4 | CAE | H5 | 109.4° | 109.5° |
| H6 | CAF | H7 | 109.5° | 109.4° |
| H8 | CAG | H9 | 109.5° | 109.5° |
| H10 | CAH | H11 | 109.5° | 109.5° |
| H12 | CAI | H13 | 109.5° | 109.4° |
| H14 | CAJ | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAB | OAC | CAD | 179.3° | 179.8° |
| OAA | CAB | CAD | CAE | 103.6° | 0.1° |
| OAA | CAB | OAC | H1 | 0.0° | 0.0° |
| OAA | CAB | CAD | H2 | 16.4° | 120.0° |
| OAA | CAB | CAD | H3 | 136.4° | 120.1° |
| OAC | CAB | CAD | CAE | 75.8° | 179.7° |
| OAC | CAB | CAD | H2 | 164.2° | 60.2° |
| OAC | CAB | CAD | H3 | 44.2° | 59.7° |
| CAB | CAD | CAE | H2 | 120.0° | 120.1° |
| CAB | CAD | CAE | H3 | 120.0° | 119.9° |
| CAB | CAD | CAE | CAF | 145.9° | 180.0° |
| CAD | CAB | OAC | H1 | 179.3° | 179.8° |
| CAB | CAD | H2 | H3 | 120.1° | 119.9° |
| CAB | CAD | CAE | H4 | 25.8° | 59.9° |
| CAB | CAD | CAE | H5 | 94.1° | 60.1° |
| CAD | CAE | CAF | H4 | 120.1° | 120.0° |
| CAD | CAE | CAF | H5 | 120.1° | 120.0° |
| CAD | CAE | CAF | CAG | 99.3° | 180.0° |
| CAE | CAD | H2 | H3 | 120.1° | 120.0° |
| CAD | CAE | H4 | H5 | 119.9° | 120.0° |
| CAD | CAE | CAF | H6 | 20.7° | 60.0° |
| CAD | CAE | CAF | H7 | 140.7° | 60.0° |
| CAE | CAF | CAG | H6 | 120.0° | 120.0° |
| CAE | CAF | CAG | H7 | 120.0° | 120.0° |
| CAE | CAF | CAG | CAH | 166.1° | 180.0° |
| CAF | CAE | CAD | H2 | 94.1° | 60.0° |
| CAF | CAE | CAD | H3 | 25.9° | 60.0° |
| CAF | CAE | H4 | H5 | 119.8° | 120.0° |
| CAE | CAF | H6 | H7 | 119.9° | 120.0° |
| CAE | CAF | CAG | H8 | 73.8° | 60.0° |
| CAE | CAF | CAG | H9 | 46.1° | 60.0° |
| CAF | CAG | CAH | H8 | 120.0° | 120.0° |
| CAF | CAG | CAH | H9 | 120.0° | 120.0° |
| CAF | CAG | CAH | CAI | 129.4° | 180.0° |
| CAG | CAF | CAE | H4 | 140.6° | 60.0° |
| CAG | CAF | CAE | H5 | 20.7° | 60.0° |
| CAG | CAF | H6 | H7 | 120.0° | 120.0° |
| CAF | CAG | H8 | H9 | 119.9° | 120.0° |
| CAF | CAG | CAH | H10 | 110.5° | 60.1° |
| CAF | CAG | CAH | H11 | 9.4° | 60.0° |
| CAG | CAH | CAI | H10 | 120.0° | 120.0° |
| CAG | CAH | CAI | H11 | 120.1° | 120.0° |
| CAG | CAH | CAI | CAJ | 137.0° | 180.0° |
| CAH | CAG | CAF | H6 | 46.1° | 60.0° |
| CAH | CAG | CAF | H7 | 73.8° | 60.0° |
| CAH | CAG | H8 | H9 | 120.0° | 120.0° |
| CAG | CAH | H10 | H11 | 119.9° | 120.1° |
| CAG | CAH | CAI | H12 | 103.0° | 60.0° |
| CAG | CAH | CAI | H13 | 17.1° | 60.0° |
| CAH | CAI | CAJ | BRA | 47.6° | 180.0° |
| CAH | CAI | CAJ | H12 | 120.0° | 120.0° |
| CAH | CAI | CAJ | H13 | 120.0° | 120.0° |
| CAI | CAH | CAG | H8 | 9.4° | 60.0° |
| CAI | CAH | CAG | H9 | 110.5° | 60.0° |
| CAI | CAH | H10 | H11 | 119.8° | 120.0° |
| CAH | CAI | H12 | H13 | 120.1° | 120.0° |
| CAH | CAI | CAJ | H14 | 167.7° | 60.0° |
| CAH | CAI | CAJ | H15 | 72.4° | 60.0° |
| BRA | CAJ | CAI | H14 | 120.0° | 120.0° |
| BRA | CAJ | CAI | H15 | 120.1° | 120.0° |
| BRA | CAJ | CAI | H12 | 167.6° | 60.0° |
| BRA | CAJ | CAI | H13 | 72.3° | 60.0° |
| BRA | CAJ | H14 | H15 | 119.9° | 120.0° |
| CAJ | CAI | CAH | H10 | 17.0° | 60.0° |
| CAJ | CAI | CAH | H11 | 102.9° | 60.0° |
| CAJ | CAI | H12 | H13 | 120.0° | 120.0° |
| CAI | CAJ | H14 | H15 | 119.9° | 120.0° |
| H2 | CAD | CAE | H4 | 145.8° | 180.0° |
| H2 | CAD | CAE | H5 | 25.9° | 60.0° |
| H3 | CAD | CAE | H4 | 94.1° | 60.0° |
| H3 | CAD | CAE | H5 | 146.0° | 180.0° |
| H4 | CAE | CAF | H6 | 99.4° | NaN° |
| H4 | CAE | CAF | H7 | 20.6° | 60.0° |
| H5 | CAE | CAF | H6 | 140.8° | 60.0° |
| H5 | CAE | CAF | H7 | 99.3° | 180.0° |
| H6 | CAF | CAG | H8 | 166.2° | 180.0° |
| H6 | CAF | CAG | H9 | 73.9° | 60.0° |
| H7 | CAF | CAG | H8 | 46.2° | 60.0° |
| H7 | CAF | CAG | H9 | 166.1° | 180.0° |
| H8 | CAG | CAH | H10 | 129.5° | 180.0° |
| H8 | CAG | CAH | H11 | 110.6° | 59.9° |
| H9 | CAG | CAH | H10 | 9.5° | 60.0° |
| H9 | CAG | CAH | H11 | 129.4° | 180.0° |
| H10 | CAH | CAI | H12 | 136.9° | 180.0° |
| H10 | CAH | CAI | H13 | 103.0° | 60.0° |
| H11 | CAH | CAI | H12 | 17.1° | 60.0° |
| H11 | CAH | CAI | H13 | 137.1° | 180.0° |
| H12 | CAI | CAJ | H14 | 72.4° | NaN° |
| H12 | CAI | CAJ | H15 | 47.6° | 60.0° |
| H13 | CAI | CAJ | H14 | 47.7° | 60.0° |
| H13 | CAI | CAJ | H15 | 167.6° | 180.0° |
