DQW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAG | sing | 1.53Å | 1.52Å | |
| OAA | CAB | sing | 1.43Å | 1.42Å | |
| CAB | CAD | sing | 1.53Å | 1.51Å | |
| CAB | CAC | sing | 1.53Å | 1.52Å | |
| CAG | OAH | sing | 1.43Å | 1.40Å | |
| CAG | CAF | sing | 1.53Å | 1.51Å | |
| OAE | CAC | sing | 1.43Å | 1.41Å | |
| OAE | CAF | sing | 1.43Å | 1.41Å | |
| CAD | HAG | sing | 1.09Å | 1.10Å | |
| CAD | HAE | sing | 1.09Å | 1.10Å | |
| CAD | HAF | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| OAA | HAA | sing | 0.97Å | 0.95Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HAD | sing | 1.09Å | 1.10Å | |
| CAF | HAI | sing | 1.09Å | 1.10Å | |
| CAF | HAH | sing | 1.09Å | 1.10Å | |
| CAG | HAJ | sing | 1.09Å | 1.10Å | |
| CAI | HAL | sing | 1.09Å | 1.10Å | |
| CAI | HAM | sing | 1.09Å | 1.10Å | |
| CAI | HAK | sing | 1.09Å | 1.10Å | |
| OAH | HAN | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAG | OAH | 108.4° | 109.5° |
| CAI | CAG | CAF | 107.1° | 109.5° |
| CAI | CAG | HAJ | 109.2° | 109.4° |
| CAG | CAI | HAL | 109.5° | 109.5° |
| CAG | CAI | HAM | 109.5° | 109.5° |
| CAG | CAI | HAK | 109.5° | 109.5° |
| OAA | CAB | CAD | 106.3° | 109.5° |
| OAA | CAB | CAC | 110.2° | 109.5° |
| OAA | CAB | HAB | 110.8° | 109.4° |
| CAB | OAA | HAA | 109.5° | 114.0° |
| CAD | CAB | CAC | 110.5° | 109.4° |
| CAB | CAD | HAG | 109.5° | 109.5° |
| CAB | CAD | HAE | 109.5° | 109.5° |
| CAB | CAD | HAF | 109.5° | 109.5° |
| CAD | CAB | HAB | 109.6° | 109.5° |
| CAB | CAC | OAE | 111.4° | 109.5° |
| CAC | CAB | HAB | 109.4° | 109.5° |
| CAB | CAC | HAC | 109.0° | 109.5° |
| CAB | CAC | HAD | 109.0° | 109.5° |
| OAH | CAG | CAF | 112.0° | 109.5° |
| OAH | CAG | HAJ | 110.8° | 109.5° |
| CAG | OAH | HAN | 109.5° | 114.0° |
| CAG | CAF | OAE | 107.4° | 109.4° |
| CAG | CAF | HAI | 110.0° | 109.5° |
| CAG | CAF | HAH | 110.0° | 109.4° |
| CAF | CAG | HAJ | 109.3° | 109.5° |
| CAC | OAE | CAF | 116.1° | 114.0° |
| OAE | CAC | HAC | 109.0° | 109.4° |
| OAE | CAC | HAD | 109.0° | 109.4° |
| OAE | CAF | HAI | 110.0° | 109.5° |
| OAE | CAF | HAH | 110.0° | 109.5° |
| HAG | CAD | HAE | 109.5° | 109.5° |
| HAG | CAD | HAF | 109.5° | 109.5° |
| HAE | CAD | HAF | 109.5° | 109.4° |
| HAC | CAC | HAD | 109.5° | 109.5° |
| HAI | CAF | HAH | 109.5° | 109.5° |
| HAL | CAI | HAM | 109.5° | 109.5° |
| HAL | CAI | HAK | 109.5° | 109.5° |
| HAM | CAI | HAK | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAG | OAH | CAF | 117.9° | 120.0° |
| CAI | CAG | OAH | HAJ | 119.8° | 120.0° |
| CAI | CAG | CAF | HAJ | 118.1° | 120.0° |
| CAI | CAG | CAF | OAE | 60.3° | 55.0° |
| CAI | CAG | CAF | HAI | 59.3° | 65.0° |
| CAI | CAG | CAF | HAH | 180.0° | 175.0° |
| CAG | CAI | HAL | HAM | 120.0° | 120.0° |
| CAG | CAI | HAL | HAK | 120.0° | 120.0° |
| CAG | CAI | HAM | HAK | 120.0° | 120.0° |
| CAI | CAG | OAH | HAN | 180.0° | 60.0° |
| OAA | CAB | CAD | CAC | 119.6° | 120.0° |
| OAA | CAB | CAD | HAB | 119.8° | 120.0° |
| OAA | CAB | CAC | HAB | 122.1° | 119.9° |
| OAA | CAB | CAC | OAE | 67.5° | 65.0° |
| OAA | CAB | CAD | HAG | 180.0° | 180.0° |
| OAA | CAB | CAD | HAE | 60.0° | 60.0° |
| OAA | CAB | CAD | HAF | 60.0° | 60.0° |
| OAA | CAB | CAC | HAC | 172.2° | 175.0° |
| OAA | CAB | CAC | HAD | 52.8° | 55.0° |
| CAD | CAB | CAC | HAB | 120.7° | 120.1° |
| CAD | CAB | CAC | OAE | 175.3° | 175.0° |
| CAB | CAD | HAG | HAE | 120.0° | 120.0° |
| CAB | CAD | HAG | HAF | 120.0° | 120.1° |
| CAB | CAD | HAE | HAF | 120.0° | 120.0° |
| CAD | CAB | OAA | HAA | 180.0° | 60.0° |
| CAD | CAB | CAC | HAC | 55.0° | 55.0° |
| CAD | CAB | CAC | HAD | 64.4° | 65.0° |
| CAB | CAC | OAE | HAC | 120.3° | 120.0° |
| CAB | CAC | OAE | HAD | 120.3° | 120.0° |
| CAB | CAC | OAE | CAF | 175.2° | 180.0° |
| CAC | CAB | CAD | HAG | 60.4° | 60.0° |
| CAC | CAB | CAD | HAE | 179.6° | 180.0° |
| CAC | CAB | CAD | HAF | 59.6° | 60.0° |
| CAC | CAB | OAA | HAA | 60.2° | 60.0° |
| CAB | CAC | HAC | HAD | 119.1° | 120.1° |
| OAH | CAG | CAF | HAJ | 123.2° | 120.0° |
| OAH | CAG | CAF | OAE | 179.1° | 65.0° |
| OAH | CAG | CAF | HAI | 59.4° | 175.0° |
| OAH | CAG | CAF | HAH | 61.3° | 55.0° |
| OAH | CAG | CAI | HAL | 180.0° | 180.0° |
| OAH | CAG | CAI | HAM | 60.0° | 60.0° |
| OAH | CAG | CAI | HAK | 60.0° | 60.0° |
| CAG | CAF | OAE | CAC | 176.2° | 180.0° |
| CAG | CAF | OAE | HAI | 119.7° | 120.0° |
| CAG | CAF | OAE | HAH | 119.7° | 119.9° |
| CAG | CAF | HAI | HAH | 120.9° | 120.0° |
| CAF | CAG | CAI | HAL | 59.0° | 60.0° |
| CAF | CAG | CAI | HAM | 179.0° | 180.0° |
| CAF | CAG | CAI | HAK | 61.0° | 60.0° |
| CAF | CAG | OAH | HAN | 62.0° | 180.0° |
| OAE | CAC | CAB | HAB | 54.6° | 55.0° |
| OAE | CAC | HAC | HAD | 119.1° | 120.0° |
| CAC | OAE | CAF | HAI | 56.5° | 60.0° |
| CAC | OAE | CAF | HAH | 64.1° | 60.0° |
| CAF | OAE | CAC | HAC | 64.5° | 60.0° |
| CAF | OAE | CAC | HAD | 54.9° | 60.0° |
| OAE | CAF | HAI | HAH | 121.0° | 120.0° |
| OAE | CAF | CAG | HAJ | 57.8° | 175.0° |
| HAG | CAD | HAE | HAF | 120.0° | 120.0° |
| HAG | CAD | CAB | HAB | 60.2° | 60.0° |
| HAE | CAD | CAB | HAB | 59.8° | 60.0° |
| HAF | CAD | CAB | HAB | 179.8° | 180.0° |
| HAB | CAB | OAA | HAA | 61.1° | 180.0° |
| HAB | CAB | CAC | HAC | 65.7° | 65.0° |
| HAB | CAB | CAC | HAD | 174.9° | 174.9° |
| HAI | CAF | CAG | HAJ | 177.5° | 55.0° |
| HAH | CAF | CAG | HAJ | 61.9° | 65.0° |
| HAJ | CAG | CAI | HAL | 59.2° | 60.0° |
| HAJ | CAG | CAI | HAM | 60.8° | 60.0° |
| HAJ | CAG | CAI | HAK | 179.2° | 180.0° |
| HAJ | CAG | OAH | HAN | 60.3° | 60.0° |
| HAL | CAI | HAM | HAK | 120.0° | 120.0° |
