DC4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.47Å | 1.38Å | Aromatic |
| CAN | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAK | doub | 1.40Å | 1.39Å | Aromatic |
| CAF | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | OAI | sing | 1.35Å | 1.37Å | Aromatic |
| OAI | CAL | sing | 1.35Å | 1.37Å | Aromatic |
| CAL | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CL1 | sing | 1.74Å | 1.73Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAH | CAJ | 119.5° | 119.8° |
| CAH | CAN | CAM | 131.3° | 134.1° |
| CAH | CAN | CAL | 121.1° | 120.2° |
| CAN | CAH | HAH | 120.3° | 120.1° |
| CAH | CAJ | CAD | 119.4° | 120.1° |
| CAH | CAJ | CL1 | 119.8° | 120.0° |
| CAJ | CAH | HAH | 120.3° | 120.1° |
| CAM | CAN | CAL | 107.6° | 105.7° |
| CAN | CAM | CAF | 131.5° | 134.0° |
| CAN | CAM | CAK | 107.3° | 105.7° |
| CAN | CAL | OAI | 108.2° | 108.5° |
| CAN | CAL | CAG | 119.6° | 119.2° |
| CAF | CAM | CAK | 121.2° | 120.2° |
| CAM | CAF | CAC | 119.2° | 119.8° |
| CAM | CAF | HAF | 120.4° | 120.1° |
| CAM | CAK | CAE | 119.4° | 119.2° |
| CAM | CAK | OAI | 108.5° | 108.4° |
| CAF | CAC | CAB | 119.7° | 120.1° |
| CAC | CAF | HAF | 120.4° | 120.1° |
| CAF | CAC | HAC | 120.1° | 120.0° |
| CAC | CAB | CAE | 121.1° | 120.6° |
| CAB | CAC | HAC | 120.2° | 119.9° |
| CAC | CAB | HAB | 119.4° | 119.7° |
| CAB | CAE | CAK | 119.5° | 120.1° |
| CAE | CAB | HAB | 119.5° | 119.7° |
| CAB | CAE | HAE | 120.3° | 120.0° |
| CAE | CAK | OAI | 132.1° | 132.4° |
| CAK | CAE | HAE | 120.3° | 119.9° |
| CAK | OAI | CAL | 108.4° | 111.6° |
| OAI | CAL | CAG | 132.2° | 132.3° |
| CAL | CAG | CAD | 119.2° | 120.1° |
| CAL | CAG | HAG | 120.4° | 119.9° |
| CAG | CAD | CAJ | 121.3° | 120.6° |
| CAD | CAG | HAG | 120.4° | 120.0° |
| CAG | CAD | HAD | 119.3° | 119.7° |
| CAD | CAJ | CL1 | 120.9° | 120.0° |
| CAJ | CAD | HAD | 119.4° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAH | CAJ | HAH | 180.0° | 179.8° |
| CAH | CAN | CAM | CAL | 179.7° | 180.0° |
| CAH | CAN | CAM | CAF | 0.3° | 0.0° |
| CAH | CAN | CAM | CAK | 179.9° | 180.0° |
| CAH | CAN | CAL | OAI | 180.0° | 180.0° |
| CAH | CAN | CAL | CAG | 0.2° | 0.0° |
| CAN | CAH | CAJ | CAD | 0.2° | 0.0° |
| CAN | CAH | CAJ | CL1 | 179.7° | 180.0° |
| CAJ | CAH | CAN | CAM | 179.7° | 180.0° |
| CAJ | CAH | CAN | CAL | 0.1° | 0.0° |
| CAH | CAJ | CAD | CAG | 0.5° | 0.1° |
| CAH | CAJ | CAD | CL1 | 179.4° | 180.0° |
| CAH | CAJ | CAD | HAD | 179.5° | 180.0° |
| CAN | CAM | CAF | CAK | 179.8° | 180.0° |
| CAN | CAM | CAF | CAC | 179.8° | 180.0° |
| CAN | CAM | CAK | CAE | 179.8° | 180.0° |
| CAN | CAM | CAK | OAI | 0.0° | 0.0° |
| CAM | CAN | CAL | OAI | 0.3° | 0.0° |
| CAM | CAN | CAL | CAG | 179.9° | 180.0° |
| CAM | CAN | CAH | HAH | 0.3° | 0.2° |
| CAN | CAM | CAF | HAF | 0.2° | 0.1° |
| CAL | CAN | CAM | CAF | 180.0° | 180.0° |
| CAL | CAN | CAM | CAK | 0.2° | 0.0° |
| CAN | CAL | OAI | CAK | 0.2° | 0.0° |
| CAN | CAL | OAI | CAG | 179.8° | 180.0° |
| CAN | CAL | CAG | CAD | 0.4° | 0.0° |
| CAL | CAN | CAH | HAH | 179.9° | 179.8° |
| CAN | CAL | CAG | HAG | 179.6° | 180.0° |
| CAM | CAF | CAC | HAF | 180.0° | 179.9° |
| CAM | CAF | CAC | CAB | 0.2° | 0.0° |
| CAF | CAM | CAK | CAE | 0.0° | 0.0° |
| CAF | CAM | CAK | OAI | 179.9° | 180.0° |
| CAM | CAF | CAC | HAC | 179.9° | 180.0° |
| CAK | CAM | CAF | CAC | 0.0° | 0.0° |
| CAM | CAK | CAE | CAB | 0.3° | 0.0° |
| CAM | CAK | CAE | OAI | 179.8° | 180.0° |
| CAM | CAK | OAI | CAL | 0.1° | 0.0° |
| CAK | CAM | CAF | HAF | 180.0° | 179.9° |
| CAM | CAK | CAE | HAE | 179.7° | 179.9° |
| CAF | CAC | CAB | HAC | 180.0° | 180.0° |
| CAF | CAC | CAB | CAE | 0.4° | 0.0° |
| CAF | CAC | CAB | HAB | 179.6° | 179.9° |
| CAC | CAB | CAE | HAB | 180.0° | 179.9° |
| CAC | CAB | CAE | CAK | 0.5° | 0.0° |
| CAB | CAC | CAF | HAF | 179.8° | 179.9° |
| CAC | CAB | CAE | HAE | 179.5° | 179.9° |
| CAB | CAE | CAK | HAE | 180.0° | 179.9° |
| CAB | CAE | CAK | OAI | 179.9° | 180.0° |
| CAE | CAB | CAC | HAC | 179.6° | 180.0° |
| CAE | CAK | OAI | CAL | 179.9° | 180.0° |
| CAK | CAE | CAB | HAB | 179.5° | 179.9° |
| CAK | OAI | CAL | CAG | 179.9° | 180.0° |
| OAI | CAK | CAE | HAE | 0.1° | 0.1° |
| OAI | CAL | CAG | CAD | 179.8° | 180.0° |
| OAI | CAL | CAG | HAG | 0.2° | 0.0° |
| CAL | CAG | CAD | HAG | 180.0° | 180.0° |
| CAL | CAG | CAD | CAJ | 0.5° | 0.1° |
| CAL | CAG | CAD | HAD | 179.5° | 180.0° |
| CAG | CAD | CAJ | HAD | 180.0° | 179.9° |
| CAG | CAD | CAJ | CL1 | 179.9° | 180.0° |
| CAD | CAJ | CAH | HAH | 179.8° | 179.8° |
| CAJ | CAD | CAG | HAG | 179.5° | 180.0° |
| CL1 | CAJ | CAH | HAH | 0.3° | 0.2° |
| CL1 | CAJ | CAD | HAD | 0.1° | 0.0° |
| HAF | CAF | CAC | HAC | 0.1° | 0.1° |
| HAC | CAC | CAB | HAB | 0.4° | 0.1° |
| HAB | CAB | CAE | HAE | 0.5° | 0.0° |
| HAG | CAG | CAD | HAD | 0.5° | 0.0° |
