D8T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAD | doub | 1.21Å | 1.24Å | |
| CAF | OAB | sing | 1.43Å | 1.43Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| OAC | CAG | sing | 1.43Å | 1.43Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAE | CAD | sing | 1.51Å | 1.54Å | |
| CAD | OAJ | sing | 1.34Å | 1.26Å | |
| CAF | CAE | sing | 1.53Å | 1.55Å | |
| CAE | OAK | sing | 1.43Å | 1.44Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAG | CAF | sing | 1.53Å | 1.53Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAH | CAG | sing | 1.53Å | 1.53Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| OAI | CAH | sing | 1.43Å | 1.43Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| OAI | HOAI | sing | 0.97Å | 0.95Å | |
| OAJ | HOAJ | sing | 0.97Å | 0.95Å | |
| OAK | HOAK | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAD | CAE | 116.0° | 120.0° |
| OAA | CAD | OAJ | 124.4° | 120.0° |
| CAF | OAB | HOAB | 109.5° | 114.0° |
| OAB | CAF | CAE | 109.0° | 109.5° |
| OAB | CAF | CAG | 107.5° | 109.4° |
| OAB | CAF | HAF | 112.8° | 109.5° |
| CAG | OAC | HOAC | 109.5° | 114.0° |
| OAC | CAG | CAF | 110.5° | 109.4° |
| OAC | CAG | CAH | 108.0° | 109.5° |
| OAC | CAG | HAG | 110.2° | 109.5° |
| CAE | CAD | OAJ | 119.6° | 120.0° |
| CAD | CAE | CAF | 112.2° | 109.4° |
| CAD | CAE | OAK | 110.6° | 109.5° |
| CAD | CAE | HAE | 106.7° | 109.5° |
| CAD | OAJ | HOAJ | 109.5° | 117.0° |
| CAF | CAE | OAK | 109.3° | 109.5° |
| CAF | CAE | HAE | 108.1° | 109.5° |
| CAE | CAF | CAG | 114.2° | 109.5° |
| CAE | CAF | HAF | 105.9° | 109.5° |
| OAK | CAE | HAE | 109.7° | 109.5° |
| CAE | OAK | HOAK | 109.5° | 114.0° |
| CAG | CAF | HAF | 107.5° | 109.5° |
| CAF | CAG | CAH | 110.9° | 109.5° |
| CAF | CAG | HAG | 107.3° | 109.5° |
| CAH | CAG | HAG | 109.9° | 109.5° |
| CAG | CAH | OAI | 109.7° | 109.5° |
| CAG | CAH | HAH | 109.4° | 109.5° |
| CAG | CAH | HAHA | 109.4° | 109.5° |
| OAI | CAH | HAH | 109.4° | 109.5° |
| OAI | CAH | HAHA | 109.4° | 109.4° |
| CAH | OAI | HOAI | 109.5° | 114.0° |
| HAH | CAH | HAHA | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAD | CAE | OAJ | 179.9° | 179.9° |
| OAA | CAD | CAE | CAF | 42.9° | 115.0° |
| OAA | CAD | CAE | OAK | 165.3° | 4.9° |
| OAA | CAD | CAE | HAE | 75.3° | 125.0° |
| OAA | CAD | OAJ | HOAJ | 0.0° | 0.0° |
| OAB | CAF | CAG | OAC | 164.6° | 180.0° |
| OAB | CAF | CAE | CAD | 46.8° | 55.0° |
| OAB | CAF | CAE | CAG | 120.2° | 120.0° |
| OAB | CAF | CAE | HAF | 121.7° | 120.0° |
| OAB | CAF | CAE | OAK | 76.4° | 65.0° |
| OAB | CAF | CAE | HAE | 164.2° | 175.0° |
| OAB | CAF | CAG | HAF | 121.7° | 120.0° |
| OAB | CAF | CAG | CAH | 44.9° | 60.0° |
| OAB | CAF | CAG | HAG | 75.1° | 60.0° |
| HOAB | OAB | CAF | CAE | 49.9° | 60.0° |
| HOAB | OAB | CAF | CAG | 174.1° | 60.0° |
| HOAB | OAB | CAF | HAF | 67.5° | 180.0° |
| OAC | CAG | CAF | CAE | 74.3° | 60.0° |
| OAC | CAG | CAF | CAH | 119.8° | 120.0° |
| OAC | CAG | CAF | HAG | 120.2° | 120.0° |
| OAC | CAG | CAF | HAF | 42.9° | 60.0° |
| OAC | CAG | CAH | HAG | 120.3° | 120.0° |
| OAC | CAG | CAH | OAI | 73.0° | 65.0° |
| OAC | CAG | CAH | HAH | 47.0° | 175.0° |
| OAC | CAG | CAH | HAHA | 167.0° | 54.9° |
| HOAC | OAC | CAG | CAF | 180.0° | 60.0° |
| HOAC | OAC | CAG | CAH | 58.5° | 60.0° |
| HOAC | OAC | CAG | HAG | 61.5° | 180.0° |
| CAD | CAE | CAF | OAK | 123.1° | 120.0° |
| CAD | CAE | CAF | HAE | 117.4° | 120.0° |
| CAD | CAE | OAK | HAE | 117.5° | 120.0° |
| CAD | CAE | CAF | CAG | 167.0° | 175.0° |
| CAD | CAE | CAF | HAF | 74.9° | 65.0° |
| CAE | CAD | OAJ | HOAJ | 179.9° | 180.0° |
| CAD | CAE | OAK | HOAK | 180.0° | 59.9° |
| OAJ | CAD | CAE | CAF | 136.9° | 65.0° |
| OAJ | CAD | CAE | OAK | 14.5° | 175.0° |
| OAJ | CAD | CAE | HAE | 104.8° | 55.0° |
| CAF | CAE | OAK | HAE | 118.4° | 120.0° |
| CAE | CAF | CAG | HAF | 117.2° | 120.0° |
| CAE | CAF | CAG | CAH | 165.9° | 180.0° |
| CAE | CAF | CAG | HAG | 46.0° | 60.0° |
| CAF | CAE | OAK | HOAK | 55.9° | 60.1° |
| OAK | CAE | CAF | CAG | 43.8° | 55.0° |
| OAK | CAE | CAF | HAF | 162.0° | 175.0° |
| HAE | CAE | CAF | CAG | 75.6° | 65.0° |
| HAE | CAE | CAF | HAF | 42.5° | 55.0° |
| HAE | CAE | OAK | HOAK | 62.5° | 179.9° |
| CAF | CAG | CAH | HAG | 118.4° | 120.0° |
| CAF | CAG | CAH | OAI | 48.3° | 175.0° |
| CAF | CAG | CAH | HAH | 168.3° | 55.0° |
| CAF | CAG | CAH | HAHA | 71.7° | 65.0° |
| HAF | CAF | CAG | CAH | 76.9° | 60.0° |
| HAF | CAF | CAG | HAG | 163.2° | 180.0° |
| CAG | CAH | OAI | HAH | 120.0° | 120.0° |
| CAG | CAH | OAI | HAHA | 120.0° | 120.0° |
| CAG | CAH | HAH | HAHA | 119.9° | 120.1° |
| CAG | CAH | OAI | HOAI | 180.0° | 180.0° |
| HAG | CAG | CAH | OAI | 166.7° | 55.0° |
| HAG | CAG | CAH | HAH | 73.3° | 65.0° |
| HAG | CAG | CAH | HAHA | 46.7° | 175.0° |
| OAI | CAH | HAH | HAHA | 119.9° | 119.9° |
| HAH | CAH | OAI | HOAI | 60.0° | 60.0° |
| HAHA | CAH | OAI | HOAI | 60.0° | 60.0° |
