8XQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAJ | sing | 1.35Å | 1.25Å | |
| OAB | CAJ | doub | 1.22Å | 1.24Å | |
| OAC | CAK | sing | 1.36Å | 1.34Å | |
| CAD | CAE | doub | 1.39Å | 1.38Å | Aromatic |
| CAD | CAH | sing | 1.37Å | 1.38Å | Aromatic |
| CAE | NAI | sing | 1.31Å | 1.32Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAM | doub | 1.40Å | 1.39Å | Aromatic |
| NAI | CAN | doub | 1.34Å | 1.35Å | Aromatic |
| CAJ | CAL | sing | 1.47Å | 1.52Å | |
| CAK | CAN | sing | 1.41Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.46Å | 1.39Å | Aromatic |
| CAM | CAN | sing | 1.41Å | 1.39Å | Aromatic |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAJ | OAB | 123.2° | 120.0° |
| OAA | CAJ | CAL | 118.9° | 120.0° |
| CAJ | OAA | HOAA | 109.5° | 117.0° |
| OAB | CAJ | CAL | 117.8° | 120.0° |
| OAC | CAK | CAF | 117.5° | 119.7° |
| OAC | CAK | CAN | 121.9° | 119.7° |
| CAK | OAC | HOAC | 109.5° | 114.0° |
| CAE | CAD | CAH | 119.3° | 119.9° |
| CAD | CAE | NAI | 120.7° | 121.7° |
| CAE | CAD | HAD | 120.4° | 120.1° |
| CAD | CAE | HAE | 119.6° | 119.2° |
| CAD | CAH | CAM | 119.4° | 118.1° |
| CAH | CAD | HAD | 120.4° | 120.0° |
| CAD | CAH | HAH | 120.3° | 121.0° |
| CAE | NAI | CAN | 122.6° | 121.3° |
| NAI | CAE | HAE | 119.7° | 119.1° |
| CAG | CAF | CAK | 119.2° | 121.7° |
| CAF | CAG | CAL | 120.7° | 120.5° |
| CAG | CAF | HAF | 120.4° | 119.2° |
| CAF | CAG | HAG | 119.6° | 119.7° |
| CAF | CAK | CAN | 120.7° | 120.5° |
| CAK | CAF | HAF | 120.4° | 119.1° |
| CAG | CAL | CAJ | 119.4° | 120.5° |
| CAG | CAL | CAM | 119.8° | 118.9° |
| CAL | CAG | HAG | 119.7° | 119.7° |
| CAH | CAM | CAL | 120.6° | 121.5° |
| CAH | CAM | CAN | 119.2° | 119.2° |
| CAM | CAH | HAH | 120.3° | 120.9° |
| NAI | CAN | CAK | 121.7° | 121.1° |
| NAI | CAN | CAM | 118.9° | 119.8° |
| CAJ | CAL | CAM | 120.8° | 120.6° |
| CAK | CAN | CAM | 119.4° | 119.1° |
| CAL | CAM | CAN | 120.2° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAJ | OAB | CAL | 179.4° | 179.9° |
| OAA | CAJ | CAL | CAG | 0.3° | 5.8° |
| OAA | CAJ | CAL | CAM | 179.6° | 174.3° |
| OAB | CAJ | CAL | CAG | 179.1° | 174.3° |
| OAB | CAJ | CAL | CAM | 0.1° | 5.6° |
| OAB | CAJ | OAA | HOAA | 0.0° | 0.0° |
| OAC | CAK | CAF | CAG | 179.8° | 180.0° |
| OAC | CAK | CAF | CAN | 179.8° | 180.0° |
| OAC | CAK | CAN | NAI | 0.4° | 0.1° |
| OAC | CAK | CAN | CAM | 179.9° | 180.0° |
| OAC | CAK | CAF | HAF | 0.2° | 0.0° |
| CAE | CAD | CAH | HAD | 180.0° | 179.7° |
| CAD | CAE | NAI | HAE | 180.0° | 180.0° |
| CAE | CAD | CAH | CAM | 0.4° | 0.0° |
| CAD | CAE | NAI | CAN | 0.6° | 0.1° |
| CAE | CAD | CAH | HAH | 179.6° | 180.0° |
| CAH | CAD | CAE | NAI | 0.2° | 0.0° |
| CAD | CAH | CAM | HAH | 180.0° | 180.0° |
| CAD | CAH | CAM | CAL | 179.6° | 180.0° |
| CAD | CAH | CAM | CAN | 0.6° | 0.1° |
| CAH | CAD | CAE | HAE | 179.8° | 180.0° |
| CAE | NAI | CAN | CAK | 180.0° | 180.0° |
| CAE | NAI | CAN | CAM | 0.3° | 0.1° |
| NAI | CAE | CAD | HAD | 179.8° | 179.7° |
| CAG | CAF | CAK | HAF | 180.0° | 180.0° |
| CAF | CAG | CAL | HAG | 180.0° | 179.9° |
| CAF | CAG | CAL | CAJ | 179.5° | 180.0° |
| CAG | CAF | CAK | CAN | 0.0° | 0.0° |
| CAF | CAG | CAL | CAM | 0.3° | 0.1° |
| CAK | CAF | CAG | CAL | 0.1° | 0.0° |
| CAF | CAK | CAN | NAI | 179.9° | 180.0° |
| CAF | CAK | CAN | CAM | 0.2° | 0.0° |
| CAF | CAK | OAC | HOAC | 180.0° | 90.0° |
| CAK | CAF | CAG | HAG | 179.9° | 179.9° |
| CAG | CAL | CAM | CAH | 179.4° | 180.0° |
| CAG | CAL | CAJ | CAM | 179.3° | 179.9° |
| CAG | CAL | CAM | CAN | 0.4° | 0.1° |
| CAL | CAG | CAF | HAF | 179.9° | 180.0° |
| CAH | CAM | CAN | NAI | 0.3° | 0.1° |
| CAH | CAM | CAL | CAJ | 0.1° | 0.1° |
| CAH | CAM | CAN | CAK | 179.4° | 180.0° |
| CAH | CAM | CAL | CAN | 179.8° | 179.9° |
| CAM | CAH | CAD | HAD | 179.6° | 179.7° |
| NAI | CAN | CAK | CAM | 179.7° | 179.9° |
| NAI | CAN | CAM | CAL | 179.9° | 180.0° |
| CAN | NAI | CAE | HAE | 179.4° | 179.9° |
| CAJ | CAL | CAM | CAN | 179.7° | 180.0° |
| CAL | CAJ | OAA | HOAA | 179.4° | 180.0° |
| CAJ | CAL | CAG | HAG | 0.4° | 0.1° |
| CAK | CAN | CAM | CAL | 0.4° | 0.1° |
| CAN | CAK | OAC | HOAC | 0.2° | 90.0° |
| CAN | CAK | CAF | HAF | 180.0° | 180.0° |
| CAM | CAL | CAG | HAG | 179.7° | 180.0° |
| CAL | CAM | CAH | HAH | 0.4° | 0.1° |
| CAN | CAM | CAH | HAH | 179.3° | 180.0° |
| HAD | CAD | CAE | HAE | 0.2° | 0.3° |
| HAD | CAD | CAH | HAH | 0.4° | 0.3° |
| HAF | CAF | CAG | HAG | 0.1° | 0.1° |
