226
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAM | sing | 1.37Å | 1.23Å | |
| OAD | CAJ | sing | 1.36Å | 1.36Å | |
| CAM | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAN | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAO | sing | 1.42Å | 1.39Å | Aromatic |
| OAC | CAI | sing | 1.36Å | 1.36Å | |
| CAI | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAO | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAO | CAK | doub | 1.40Å | 1.39Å | Aromatic |
| CAL | OAA | sing | 1.37Å | 1.23Å | |
| CAF | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | OAE | sing | 1.37Å | 1.36Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAH | HAH | sing | 1.09Å | 1.08Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAF | HAF | sing | 1.09Å | 1.08Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.09Å | 1.08Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAM | CAJ | 119.7° | 118.5° |
| OAB | CAM | CAN | 120.3° | 120.8° |
| CAM | OAB | HOAB | 109.5° | 110.0° |
| OAD | CAJ | CAM | 120.1° | 120.6° |
| OAD | CAJ | CAG | 120.1° | 119.3° |
| CAJ | OAD | HOAD | 109.5° | 110.2° |
| CAJ | CAM | CAN | 120.0° | 120.7° |
| CAM | CAJ | CAG | 119.8° | 120.1° |
| CAM | CAN | CAH | 119.8° | 121.5° |
| CAM | CAN | CAO | 120.3° | 119.3° |
| CAJ | CAG | CAL | 120.2° | 120.0° |
| CAJ | CAG | HAG | 119.9° | 119.9° |
| CAN | CAH | CAI | 120.1° | 120.7° |
| CAH | CAN | CAO | 120.0° | 119.3° |
| CAN | CAH | HAH | 120.0° | 120.8° |
| CAH | CAI | OAC | 120.0° | 120.0° |
| CAH | CAI | CAF | 120.0° | 120.0° |
| CAI | CAH | HAH | 119.9° | 118.5° |
| CAN | CAO | CAL | 119.5° | 119.3° |
| CAN | CAO | CAK | 119.8° | 119.3° |
| OAC | CAI | CAF | 120.0° | 120.0° |
| CAI | OAC | HOAC | 109.5° | 110.3° |
| CAI | CAF | CAK | 119.9° | 120.0° |
| CAI | CAF | HAF | 120.1° | 119.9° |
| CAG | CAL | CAO | 120.3° | 120.7° |
| CAG | CAL | OAA | 119.4° | 116.6° |
| CAL | CAG | HAG | 119.9° | 120.1° |
| CAL | CAO | CAK | 120.7° | 121.4° |
| CAO | CAL | OAA | 120.3° | 122.7° |
| CAO | CAK | CAF | 120.2° | 120.7° |
| CAO | CAK | OAE | 120.6° | 122.6° |
| CAL | OAA | HOAA | 109.5° | 110.0° |
| CAF | CAK | OAE | 119.2° | 116.7° |
| CAK | CAF | HAF | 120.1° | 120.1° |
| CAK | OAE | HOAE | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAM | CAJ | OAD | 1.7° | 0.0° |
| OAB | CAM | CAJ | CAN | 179.2° | 180.0° |
| OAB | CAM | CAJ | CAG | 178.9° | 180.0° |
| OAB | CAM | CAN | CAH | 2.1° | 0.1° |
| OAB | CAM | CAN | CAO | 178.8° | 180.0° |
| OAD | CAJ | CAM | CAG | 179.4° | 179.9° |
| OAD | CAJ | CAM | CAN | 179.1° | 179.9° |
| OAD | CAJ | CAG | CAL | 179.4° | 180.0° |
| OAD | CAJ | CAG | HAG | 0.6° | 0.0° |
| CAJ | CAM | CAN | CAH | 178.7° | 180.0° |
| CAJ | CAM | CAN | CAO | 0.4° | 0.0° |
| CAM | CAJ | CAG | CAL | 0.0° | 0.0° |
| CAJ | CAM | OAB | HOAB | 29.2° | 88.7° |
| CAM | CAJ | CAG | HAG | 180.0° | 180.0° |
| CAM | CAJ | OAD | HOAD | 162.6° | 108.5° |
| CAN | CAM | CAJ | CAG | 0.3° | 0.0° |
| CAM | CAN | CAH | CAO | 179.1° | 179.9° |
| CAM | CAN | CAH | CAI | 179.0° | 180.0° |
| CAM | CAN | CAO | CAL | 0.2° | 0.1° |
| CAM | CAN | CAO | CAK | 179.2° | 180.0° |
| CAN | CAM | OAB | HOAB | 151.6° | 91.3° |
| CAM | CAN | CAH | HAH | 1.0° | 0.1° |
| CAJ | CAG | CAL | HAG | 180.0° | 180.0° |
| CAJ | CAG | CAL | CAO | 0.2° | 0.0° |
| CAJ | CAG | CAL | OAA | 179.8° | 180.0° |
| CAG | CAJ | OAD | HOAD | 16.7° | 71.4° |
| CAN | CAH | CAI | HAH | 180.0° | 179.9° |
| CAN | CAH | CAI | OAC | 179.0° | 180.0° |
| CAN | CAH | CAI | CAF | 0.2° | 0.1° |
| CAH | CAN | CAO | CAL | 178.9° | 180.0° |
| CAH | CAN | CAO | CAK | 0.1° | 0.1° |
| CAI | CAH | CAN | CAO | 0.1° | 0.1° |
| CAH | CAI | OAC | CAF | 179.2° | 180.0° |
| CAH | CAI | CAF | CAK | 0.1° | 0.0° |
| CAH | CAI | OAC | HOAC | 13.9° | 159.1° |
| CAH | CAI | CAF | HAF | 179.9° | 180.0° |
| CAN | CAO | CAL | CAG | 0.1° | 0.1° |
| CAN | CAO | CAL | CAK | 179.0° | 179.9° |
| CAN | CAO | CAL | OAA | 179.9° | 179.9° |
| CAN | CAO | CAK | CAF | 0.3° | 0.1° |
| CAN | CAO | CAK | OAE | 179.2° | 179.9° |
| CAO | CAN | CAH | HAH | 179.9° | 180.0° |
| OAC | CAI | CAF | CAK | 179.1° | 180.0° |
| OAC | CAI | CAH | HAH | 1.0° | 0.0° |
| OAC | CAI | CAF | HAF | 0.9° | 0.0° |
| CAI | CAF | CAK | CAO | 0.2° | 0.0° |
| CAI | CAF | CAK | HAF | 180.0° | 180.0° |
| CAI | CAF | CAK | OAE | 179.3° | 180.0° |
| CAF | CAI | CAH | HAH | 179.8° | 180.0° |
| CAF | CAI | OAC | HOAC | 165.3° | 20.9° |
| CAG | CAL | CAO | OAA | 180.0° | 180.0° |
| CAG | CAL | CAO | CAK | 178.9° | 180.0° |
| CAG | CAL | OAA | HOAA | 151.2° | 133.6° |
| CAL | CAO | CAK | CAF | 178.7° | 180.0° |
| CAL | CAO | CAK | OAE | 1.8° | 0.0° |
| CAO | CAL | OAA | HOAA | 28.8° | 46.4° |
| CAO | CAL | CAG | HAG | 179.8° | 180.0° |
| CAK | CAO | CAL | OAA | 1.1° | 0.0° |
| CAO | CAK | CAF | OAE | 179.5° | 180.0° |
| CAO | CAK | CAF | HAF | 179.9° | 180.0° |
| CAO | CAK | OAE | HOAE | 149.7° | 135.8° |
| OAA | CAL | CAG | HAG | 0.2° | 0.0° |
| CAF | CAK | OAE | HOAE | 29.8° | 44.2° |
| OAE | CAK | CAF | HAF | 0.7° | 0.0° |
