7OD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAG | sing | 1.53Å | 1.53Å | |
| CAG | CAF | sing | 1.53Å | 1.53Å | |
| CAF | OAH | sing | 1.43Å | 1.43Å | |
| CAF | CAE | sing | 1.53Å | 1.55Å | |
| CAE | CAD | sing | 1.51Å | 1.54Å | |
| CAD | CAC | doub | 1.33Å | 1.54Å | |
| CAC | CAK | sing | 1.51Å | 1.54Å | |
| CAC | CAA | sing | 1.47Å | 1.53Å | |
| OAB | CAA | doub | 1.21Å | 1.25Å | |
| CAA | OAI | sing | 1.35Å | 1.25Å | |
| OAI | H1 | sing | 0.97Å | 0.95Å | |
| CAK | HAM | sing | 1.09Å | 1.10Å | |
| CAK | HAN | sing | 1.09Å | 1.10Å | |
| CAK | HAO | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAF | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAF | HAG | sing | 1.09Å | 1.10Å | |
| OAH | HAP | sing | 0.97Å | 0.95Å | |
| CAG | HAH | sing | 1.09Å | 1.10Å | |
| CAG | HAI | sing | 1.09Å | 1.10Å | |
| CAJ | HAK | sing | 1.09Å | 1.10Å | |
| CAJ | HAL | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAG | CAF | 108.1° | 109.5° |
| CAJ | CAG | HAH | 109.8° | 109.5° |
| CAJ | CAG | HAI | 109.8° | 109.5° |
| CAG | CAJ | HAK | 109.5° | 109.5° |
| CAG | CAJ | HAL | 109.5° | 109.5° |
| CAG | CAJ | HAJ | 109.5° | 109.5° |
| CAG | CAF | OAH | 108.6° | 109.5° |
| CAG | CAF | CAE | 114.2° | 109.5° |
| CAG | CAF | HAG | 108.0° | 109.4° |
| CAF | CAG | HAH | 109.8° | 109.5° |
| CAF | CAG | HAI | 109.8° | 109.4° |
| OAH | CAF | CAE | 108.9° | 109.5° |
| OAH | CAF | HAG | 109.3° | 109.4° |
| CAF | OAH | HAP | 109.5° | 113.9° |
| CAF | CAE | CAD | 116.2° | 109.5° |
| CAF | CAE | HAF | 107.8° | 109.5° |
| CAF | CAE | HAE | 107.8° | 109.5° |
| CAE | CAF | HAG | 107.7° | 109.5° |
| CAE | CAD | CAC | 118.4° | 120.0° |
| CAE | CAD | HAD | 120.8° | 120.0° |
| CAD | CAE | HAF | 107.8° | 109.5° |
| CAD | CAE | HAE | 107.8° | 109.4° |
| CAD | CAC | CAK | 120.0° | 120.0° |
| CAD | CAC | CAA | 120.4° | 120.0° |
| CAC | CAD | HAD | 120.8° | 120.0° |
| CAK | CAC | CAA | 119.7° | 120.0° |
| CAC | CAK | HAM | 109.5° | 109.5° |
| CAC | CAK | HAN | 109.5° | 109.4° |
| CAC | CAK | HAO | 109.5° | 109.4° |
| CAC | CAA | OAB | 120.0° | 120.0° |
| CAC | CAA | OAI | 120.2° | 120.0° |
| OAB | CAA | OAI | 119.8° | 120.0° |
| CAA | OAI | H1 | 109.5° | 117.0° |
| HAM | CAK | HAN | 109.5° | 109.5° |
| HAM | CAK | HAO | 109.4° | 109.5° |
| HAN | CAK | HAO | 109.5° | 109.5° |
| HAF | CAE | HAE | 109.5° | 109.4° |
| HAH | CAG | HAI | 109.5° | 109.5° |
| HAK | CAJ | HAL | 109.5° | 109.4° |
| HAK | CAJ | HAJ | 109.5° | 109.5° |
| HAL | CAJ | HAJ | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAG | CAF | HAH | 119.8° | 120.1° |
| CAJ | CAG | CAF | HAI | 119.8° | 120.0° |
| CAJ | CAG | CAF | OAH | 73.6° | 64.9° |
| CAJ | CAG | CAF | CAE | 164.6° | 175.0° |
| CAJ | CAG | CAF | HAG | 44.8° | 55.0° |
| CAJ | CAG | HAH | HAI | 120.6° | 120.0° |
| CAG | CAJ | HAK | HAL | 120.0° | 120.0° |
| CAG | CAJ | HAK | HAJ | 120.0° | 120.0° |
| CAG | CAJ | HAL | HAJ | 120.0° | 120.0° |
| CAG | CAF | OAH | CAE | 125.0° | 120.1° |
| CAG | CAF | OAH | HAG | 117.6° | 119.9° |
| CAG | CAF | CAE | HAG | 119.9° | 120.0° |
| CAG | CAF | CAE | CAD | 16.7° | 175.0° |
| CAG | CAF | CAE | HAF | 104.3° | 54.9° |
| CAG | CAF | CAE | HAE | 137.7° | 65.0° |
| CAG | CAF | OAH | HAP | 180.0° | 60.0° |
| CAF | CAG | HAH | HAI | 120.7° | 119.9° |
| CAF | CAG | CAJ | HAK | 180.0° | 180.0° |
| CAF | CAG | CAJ | HAL | 60.0° | 60.0° |
| CAF | CAG | CAJ | HAJ | 60.0° | 60.0° |
| OAH | CAF | CAE | HAG | 118.5° | 120.0° |
| OAH | CAF | CAE | CAD | 104.9° | 64.9° |
| OAH | CAF | CAE | HAF | 134.1° | 175.0° |
| OAH | CAF | CAE | HAE | 16.1° | 55.0° |
| OAH | CAF | CAG | HAH | 46.2° | 175.0° |
| OAH | CAF | CAG | HAI | 166.6° | 55.0° |
| CAF | CAE | CAD | HAF | 121.0° | 120.1° |
| CAF | CAE | CAD | HAE | 121.0° | 120.0° |
| CAF | CAE | CAD | CAC | 173.6° | 125.4° |
| CAF | CAE | CAD | HAD | 6.5° | 54.6° |
| CAF | CAE | HAF | HAE | 116.9° | 120.0° |
| CAE | CAF | OAH | HAP | 55.0° | 60.1° |
| CAE | CAF | CAG | HAH | 75.6° | 54.9° |
| CAE | CAF | CAG | HAI | 44.9° | 65.1° |
| CAE | CAD | CAC | HAD | 180.0° | 180.0° |
| CAE | CAD | CAC | CAK | 0.2° | 5.5° |
| CAE | CAD | CAC | CAA | 179.9° | 174.5° |
| CAD | CAE | HAF | HAE | 116.9° | 119.9° |
| CAD | CAE | CAF | HAG | 136.6° | 55.0° |
| CAD | CAC | CAK | CAA | 179.9° | 180.0° |
| CAD | CAC | CAA | OAB | 0.1° | 0.0° |
| CAD | CAC | CAA | OAI | 179.9° | 179.7° |
| CAD | CAC | CAK | HAM | 180.0° | 174.9° |
| CAD | CAC | CAK | HAN | 60.0° | 65.1° |
| CAD | CAC | CAK | HAO | 60.0° | 54.9° |
| CAC | CAD | CAE | HAF | 52.6° | 114.5° |
| CAC | CAD | CAE | HAE | 65.4° | 5.4° |
| CAK | CAC | CAA | OAB | 179.9° | 180.0° |
| CAK | CAC | CAA | OAI | 0.2° | 0.3° |
| CAC | CAK | HAM | HAN | 120.0° | 120.0° |
| CAC | CAK | HAM | HAO | 120.0° | 120.0° |
| CAC | CAK | HAN | HAO | 120.0° | 120.0° |
| CAK | CAC | CAD | HAD | 179.8° | 174.5° |
| CAC | CAA | OAB | OAI | 179.9° | 179.7° |
| CAC | CAA | OAI | H1 | 179.9° | 179.7° |
| CAA | CAC | CAK | HAM | 0.1° | 5.1° |
| CAA | CAC | CAK | HAN | 120.1° | 114.9° |
| CAA | CAC | CAK | HAO | 119.9° | 125.1° |
| CAA | CAC | CAD | HAD | 0.1° | 5.5° |
| OAB | CAA | OAI | H1 | 0.0° | 0.1° |
| HAM | CAK | HAN | HAO | 120.0° | 120.0° |
| HAD | CAD | CAE | HAF | 127.4° | 65.5° |
| HAD | CAD | CAE | HAE | 114.5° | 174.6° |
| HAF | CAE | CAF | HAG | 15.6° | 65.0° |
| HAE | CAE | CAF | HAG | 102.4° | 175.0° |
| HAG | CAF | OAH | HAP | 62.4° | 180.0° |
| HAG | CAF | CAG | HAH | 164.6° | 65.1° |
| HAG | CAF | CAG | HAI | 74.9° | 175.0° |
| HAH | CAG | CAJ | HAK | 60.2° | 60.0° |
| HAH | CAG | CAJ | HAL | 59.8° | 179.9° |
| HAH | CAG | CAJ | HAJ | 179.8° | 60.0° |
| HAI | CAG | CAJ | HAK | 60.2° | 60.0° |
| HAI | CAG | CAJ | HAL | 179.8° | 59.9° |
| HAI | CAG | CAJ | HAJ | 59.8° | 180.0° |
| HAK | CAJ | HAL | HAJ | 120.0° | 120.0° |
