68O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | FAD | sing | 1.35Å | 1.33Å | |
| CAO | CAR | doub | 1.39Å | 1.38Å | Aromatic |
| CAH | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | OAL | sing | 1.36Å | 1.36Å | |
| OAL | CAQ | sing | 1.36Å | 1.36Å | |
| CAQ | CAJ | doub | 1.39Å | 1.38Å | Aromatic |
| CAQ | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| OAB | CAM | sing | 1.36Å | 1.36Å | |
| CAM | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | FAC | sing | 1.35Å | 1.31Å | |
| CAN | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAK | sing | 1.51Å | 1.39Å | |
| CAA | CAK | sing | 1.53Å | 1.52Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAL | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAA | HAC | sing | 1.09Å | 1.10Å | |
| CAA | HAB | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| OAB | HAM | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAE | CAF | 119.9° | 120.1° |
| CAE | CAG | CAO | 120.0° | 120.1° |
| CAE | CAG | HAG | 120.0° | 120.0° |
| CAG | CAE | HAE | 120.1° | 119.9° |
| CAE | CAF | CAH | 120.5° | 120.1° |
| CAF | CAE | HAE | 120.1° | 120.0° |
| CAE | CAF | HAF | 119.8° | 119.9° |
| CAG | CAO | FAD | 120.3° | 120.1° |
| CAG | CAO | CAR | 120.2° | 119.8° |
| CAO | CAG | HAG | 120.0° | 119.9° |
| CAF | CAH | CAR | 119.4° | 120.0° |
| CAH | CAF | HAF | 119.8° | 120.0° |
| CAF | CAH | HAH | 120.3° | 120.0° |
| FAD | CAO | CAR | 119.5° | 120.1° |
| CAO | CAR | CAH | 120.2° | 119.9° |
| CAO | CAR | OAL | 114.2° | 120.0° |
| CAH | CAR | OAL | 125.6° | 120.1° |
| CAR | CAH | HAH | 120.3° | 120.1° |
| CAR | OAL | CAQ | 117.4° | 118.0° |
| OAL | CAQ | CAJ | 120.5° | 120.0° |
| OAL | CAQ | CAM | 119.4° | 120.1° |
| CAJ | CAQ | CAM | 120.1° | 119.9° |
| CAQ | CAJ | CAN | 119.6° | 120.0° |
| CAQ | CAJ | HAJ | 120.2° | 120.0° |
| CAQ | CAM | OAB | 119.6° | 120.1° |
| CAQ | CAM | CAI | 120.1° | 119.9° |
| CAJ | CAN | FAC | 118.9° | 119.9° |
| CAJ | CAN | CAP | 120.6° | 120.1° |
| CAN | CAJ | HAJ | 120.2° | 120.0° |
| OAB | CAM | CAI | 120.2° | 120.0° |
| CAM | OAB | HAM | 109.5° | 114.0° |
| CAM | CAI | CAP | 119.7° | 120.0° |
| CAM | CAI | HAI | 120.1° | 120.0° |
| FAC | CAN | CAP | 120.6° | 120.0° |
| CAN | CAP | CAI | 119.8° | 120.1° |
| CAN | CAP | CAK | 120.4° | 120.0° |
| CAI | CAP | CAK | 119.8° | 119.9° |
| CAP | CAI | HAI | 120.1° | 120.0° |
| CAP | CAK | CAA | 110.1° | 109.5° |
| CAP | CAK | HAL | 109.3° | 109.4° |
| CAP | CAK | HAK | 109.3° | 109.5° |
| CAA | CAK | HAL | 109.3° | 109.4° |
| CAA | CAK | HAK | 109.3° | 109.5° |
| CAK | CAA | HAC | 109.5° | 109.5° |
| CAK | CAA | HAB | 109.5° | 109.5° |
| CAK | CAA | HAA | 109.5° | 109.5° |
| HAL | CAK | HAK | 109.5° | 109.5° |
| HAC | CAA | HAB | 109.4° | 109.5° |
| HAC | CAA | HAA | 109.5° | 109.5° |
| HAB | CAA | HAA | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAE | CAF | HAE | 180.0° | 179.9° |
| CAE | CAG | CAO | HAG | 180.0° | 179.9° |
| CAG | CAE | CAF | CAH | 0.1° | 0.1° |
| CAE | CAG | CAO | FAD | 179.9° | 179.9° |
| CAE | CAG | CAO | CAR | 0.0° | 0.3° |
| CAG | CAE | CAF | HAF | 179.9° | 180.0° |
| CAF | CAE | CAG | CAO | 0.1° | 0.1° |
| CAE | CAF | CAH | HAF | 180.0° | 179.9° |
| CAE | CAF | CAH | CAR | 0.1° | 0.3° |
| CAF | CAE | CAG | HAG | 179.9° | 180.0° |
| CAE | CAF | CAH | HAH | 179.9° | 179.9° |
| CAG | CAO | FAD | CAR | 179.9° | 179.8° |
| CAG | CAO | CAR | CAH | 0.0° | 0.5° |
| CAG | CAO | CAR | OAL | 179.7° | 179.7° |
| CAO | CAG | CAE | HAE | 179.9° | 180.0° |
| CAF | CAH | CAR | CAO | 0.0° | 0.5° |
| CAF | CAH | CAR | HAH | 180.0° | 179.8° |
| CAF | CAH | CAR | OAL | 179.7° | 179.7° |
| CAH | CAF | CAE | HAE | 179.9° | 180.0° |
| FAD | CAO | CAR | CAH | 179.9° | 179.7° |
| FAD | CAO | CAR | OAL | 0.2° | 0.1° |
| FAD | CAO | CAG | HAG | 0.1° | 0.0° |
| CAO | CAR | CAH | OAL | 179.7° | 179.8° |
| CAO | CAR | OAL | CAQ | 173.4° | 80.6° |
| CAR | CAO | CAG | HAG | 180.0° | 179.7° |
| CAO | CAR | CAH | HAH | 180.0° | 179.7° |
| CAH | CAR | OAL | CAQ | 6.3° | 99.1° |
| CAR | CAH | CAF | HAF | 179.9° | 179.8° |
| CAR | OAL | CAQ | CAJ | 89.6° | 5.6° |
| CAR | OAL | CAQ | CAM | 91.4° | 174.7° |
| OAL | CAR | CAH | HAH | 0.3° | 0.1° |
| OAL | CAQ | CAJ | CAM | 179.0° | 179.8° |
| OAL | CAQ | CAJ | CAN | 179.7° | 180.0° |
| OAL | CAQ | CAM | OAB | 0.6° | 0.1° |
| OAL | CAQ | CAM | CAI | 179.7° | 179.8° |
| OAL | CAQ | CAJ | HAJ | 0.2° | 0.0° |
| CAQ | CAJ | CAN | HAJ | 180.0° | 180.0° |
| CAJ | CAQ | CAM | OAB | 179.6° | 179.7° |
| CAJ | CAQ | CAM | CAI | 0.7° | 0.5° |
| CAQ | CAJ | CAN | FAC | 179.5° | 180.0° |
| CAQ | CAJ | CAN | CAP | 0.4° | 0.0° |
| CAM | CAQ | CAJ | CAN | 0.7° | 0.2° |
| CAQ | CAM | OAB | CAI | 179.6° | 179.8° |
| CAQ | CAM | CAI | CAP | 0.3° | 0.4° |
| CAM | CAQ | CAJ | HAJ | 179.2° | 179.8° |
| CAQ | CAM | CAI | HAI | 179.7° | 179.7° |
| CAQ | CAM | OAB | HAM | 180.0° | 90.0° |
| CAJ | CAN | FAC | CAP | 179.9° | 180.0° |
| CAJ | CAN | CAP | CAI | 0.0° | 0.1° |
| CAJ | CAN | CAP | CAK | 179.6° | 180.0° |
| OAB | CAM | CAI | CAP | 180.0° | 179.7° |
| OAB | CAM | CAI | HAI | 0.0° | 0.1° |
| CAM | CAI | CAP | CAN | 0.1° | 0.2° |
| CAM | CAI | CAP | HAI | 180.0° | 179.9° |
| CAM | CAI | CAP | CAK | 179.6° | 179.8° |
| CAI | CAM | OAB | HAM | 0.3° | 89.8° |
| FAC | CAN | CAP | CAI | 179.9° | 180.0° |
| FAC | CAN | CAP | CAK | 0.5° | 0.0° |
| FAC | CAN | CAJ | HAJ | 0.5° | 0.0° |
| CAN | CAP | CAI | CAK | 179.6° | 179.9° |
| CAN | CAP | CAK | CAA | 89.9° | 80.0° |
| CAP | CAN | CAJ | HAJ | 179.6° | 180.0° |
| CAN | CAP | CAK | HAL | 150.0° | 39.9° |
| CAN | CAP | CAK | HAK | 30.2° | 160.0° |
| CAN | CAP | CAI | HAI | 180.0° | 180.0° |
| CAI | CAP | CAK | CAA | 90.5° | 100.1° |
| CAI | CAP | CAK | HAL | 29.6° | 140.0° |
| CAI | CAP | CAK | HAK | 149.4° | 19.9° |
| CAP | CAK | CAA | HAL | 120.1° | 119.9° |
| CAP | CAK | CAA | HAK | 120.1° | 120.0° |
| CAP | CAK | HAL | HAK | 119.7° | 120.0° |
| CAP | CAK | CAA | HAC | 180.0° | 60.1° |
| CAP | CAK | CAA | HAB | 60.0° | 60.0° |
| CAP | CAK | CAA | HAA | 60.0° | 179.9° |
| CAK | CAP | CAI | HAI | 0.4° | 0.1° |
| CAA | CAK | HAL | HAK | 119.7° | 120.0° |
| CAK | CAA | HAC | HAB | 120.0° | 120.0° |
| CAK | CAA | HAC | HAA | 120.0° | 120.0° |
| CAK | CAA | HAB | HAA | 120.0° | 120.0° |
| HAG | CAG | CAE | HAE | 0.1° | 0.0° |
| HAE | CAE | CAF | HAF | 0.1° | 0.1° |
| HAF | CAF | CAH | HAH | 0.1° | 0.0° |
| HAL | CAK | CAA | HAC | 59.9° | 180.0° |
| HAL | CAK | CAA | HAB | 179.9° | 60.0° |
| HAL | CAK | CAA | HAA | 60.1° | 60.0° |
| HAK | CAK | CAA | HAC | 59.9° | 60.0° |
| HAK | CAK | CAA | HAB | 60.1° | 180.0° |
| HAK | CAK | CAA | HAA | 179.9° | 60.0° |
| HAC | CAA | HAB | HAA | 120.0° | 120.0° |
