4C8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR2 | CAF | sing | 1.89Å | 1.94Å | |
| BR5 | CAN | sing | 1.89Å | 1.88Å | |
| CAM | CAN | doub | 1.38Å | 1.42Å | Aromatic |
| CAM | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | CAO | sing | 1.38Å | 1.33Å | Aromatic |
| CAL | CAK | doub | 1.39Å | 1.36Å | Aromatic |
| CAO | CAP | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | OAJ | sing | 1.36Å | 1.43Å | |
| CAP | BR4 | sing | 1.89Å | 1.90Å | |
| CAF | CAE | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | CAA | sing | 1.39Å | 1.41Å | Aromatic |
| OAJ | CAA | sing | 1.36Å | 1.42Å | |
| CAE | CAD | sing | 1.38Å | 1.46Å | Aromatic |
| CAA | CAB | doub | 1.39Å | 1.43Å | Aromatic |
| CAD | BR1 | sing | 1.89Å | 1.88Å | |
| CAD | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.41Å | Aromatic |
| CAB | BR3 | sing | 1.89Å | 1.95Å | |
| CAE | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAO | H3 | sing | 1.08Å | 1.08Å | |
| CAM | H4 | sing | 1.08Å | 1.08Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR2 | CAF | CAE | 119.8° | 120.0° |
| BR2 | CAF | CAA | 120.2° | 120.0° |
| BR5 | CAN | CAM | 120.1° | 120.0° |
| BR5 | CAN | CAO | 119.5° | 120.0° |
| CAN | CAM | CAL | 119.9° | 120.1° |
| CAM | CAN | CAO | 120.4° | 120.1° |
| CAN | CAM | H4 | 120.1° | 119.9° |
| CAM | CAL | CAK | 120.0° | 120.0° |
| CAL | CAM | H4 | 120.1° | 120.0° |
| CAM | CAL | H5 | 120.0° | 120.0° |
| CAN | CAO | CAP | 119.7° | 120.1° |
| CAN | CAO | H3 | 120.1° | 120.0° |
| CAL | CAK | CAP | 119.8° | 119.9° |
| CAL | CAK | OAJ | 121.1° | 120.0° |
| CAK | CAL | H5 | 120.0° | 120.1° |
| CAO | CAP | CAK | 120.2° | 119.9° |
| CAO | CAP | BR4 | 119.3° | 120.0° |
| CAP | CAO | H3 | 120.1° | 120.0° |
| CAP | CAK | OAJ | 119.0° | 120.0° |
| CAK | CAP | BR4 | 120.5° | 120.1° |
| CAK | OAJ | CAA | 112.7° | 118.0° |
| CAE | CAF | CAA | 120.0° | 120.0° |
| CAF | CAE | CAD | 119.9° | 120.0° |
| CAF | CAE | H1 | 120.1° | 120.0° |
| CAF | CAA | OAJ | 119.2° | 120.0° |
| CAF | CAA | CAB | 119.8° | 119.9° |
| OAJ | CAA | CAB | 120.9° | 120.1° |
| CAE | CAD | BR1 | 118.9° | 119.9° |
| CAE | CAD | CAC | 120.3° | 120.1° |
| CAD | CAE | H1 | 120.0° | 119.9° |
| CAA | CAB | CAC | 120.1° | 119.9° |
| CAA | CAB | BR3 | 119.8° | 120.0° |
| BR1 | CAD | CAC | 120.7° | 120.0° |
| CAD | CAC | CAB | 119.8° | 120.1° |
| CAD | CAC | H2 | 120.1° | 120.0° |
| CAC | CAB | BR3 | 120.1° | 120.1° |
| CAB | CAC | H2 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR2 | CAF | CAE | CAA | 179.9° | 179.7° |
| BR2 | CAF | CAA | OAJ | 0.1° | 0.0° |
| BR2 | CAF | CAE | CAD | 180.0° | 180.0° |
| BR2 | CAF | CAA | CAB | 179.9° | 179.7° |
| BR2 | CAF | CAE | H1 | 0.1° | 0.0° |
| BR5 | CAN | CAM | CAO | 179.9° | 179.9° |
| BR5 | CAN | CAM | CAL | 179.9° | 179.7° |
| BR5 | CAN | CAO | CAP | 179.9° | 180.0° |
| BR5 | CAN | CAO | H3 | 0.1° | 0.1° |
| BR5 | CAN | CAM | H4 | 0.1° | 0.1° |
| CAN | CAM | CAL | H4 | 180.0° | 179.8° |
| CAN | CAM | CAL | CAK | 0.1° | 0.5° |
| CAM | CAN | CAO | CAP | 0.2° | 0.0° |
| CAM | CAN | CAO | H3 | 179.8° | 180.0° |
| CAN | CAM | CAL | H5 | 180.0° | 180.0° |
| CAL | CAM | CAN | CAO | 0.2° | 0.2° |
| CAM | CAL | CAK | H5 | 180.0° | 179.6° |
| CAM | CAL | CAK | CAP | 0.1° | 0.5° |
| CAM | CAL | CAK | OAJ | 179.8° | 179.8° |
| CAN | CAO | CAP | H3 | 180.0° | 179.9° |
| CAN | CAO | CAP | CAK | 0.0° | 0.0° |
| CAN | CAO | CAP | BR4 | 179.9° | 180.0° |
| CAO | CAN | CAM | H4 | 179.8° | 180.0° |
| CAL | CAK | CAP | CAO | 0.2° | 0.3° |
| CAL | CAK | CAP | OAJ | 179.7° | 179.7° |
| CAL | CAK | CAP | BR4 | 179.8° | 179.7° |
| CAL | CAK | OAJ | CAA | 25.9° | 0.3° |
| CAK | CAL | CAM | H4 | 180.0° | 179.7° |
| CAO | CAP | CAK | BR4 | 179.9° | 180.0° |
| CAO | CAP | CAK | OAJ | 179.8° | 180.0° |
| CAP | CAK | OAJ | CAA | 154.5° | 180.0° |
| CAK | CAP | CAO | H3 | 180.0° | 179.9° |
| CAP | CAK | CAL | H5 | 179.9° | 179.9° |
| OAJ | CAK | CAP | BR4 | 0.1° | 0.0° |
| CAK | OAJ | CAA | CAF | 103.7° | 90.0° |
| CAK | OAJ | CAA | CAB | 76.2° | 89.7° |
| OAJ | CAK | CAL | H5 | 0.2° | 0.2° |
| BR4 | CAP | CAO | H3 | 0.1° | 0.1° |
| CAE | CAF | CAA | OAJ | 179.8° | 179.7° |
| CAF | CAE | CAD | H1 | 180.0° | 180.0° |
| CAE | CAF | CAA | CAB | 0.2° | 0.5° |
| CAF | CAE | CAD | BR1 | 180.0° | 180.0° |
| CAF | CAE | CAD | CAC | 0.0° | 0.0° |
| CAF | CAA | OAJ | CAB | 180.0° | 179.7° |
| CAA | CAF | CAE | CAD | 0.1° | 0.3° |
| CAF | CAA | CAB | CAC | 0.2° | 0.5° |
| CAF | CAA | CAB | BR3 | 179.9° | 179.7° |
| CAA | CAF | CAE | H1 | 179.9° | 179.7° |
| OAJ | CAA | CAB | CAC | 179.8° | 179.7° |
| OAJ | CAA | CAB | BR3 | 0.1° | 0.0° |
| CAE | CAD | BR1 | CAC | 180.0° | 180.0° |
| CAE | CAD | CAC | CAB | 0.0° | 0.0° |
| CAE | CAD | CAC | H2 | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.1° | 0.3° |
| CAA | CAB | CAC | BR3 | 179.9° | 179.7° |
| CAA | CAB | CAC | H2 | 179.9° | 179.8° |
| BR1 | CAD | CAC | CAB | 180.0° | 180.0° |
| BR1 | CAD | CAE | H1 | 0.0° | 0.0° |
| BR1 | CAD | CAC | H2 | 0.0° | 0.1° |
| CAD | CAC | CAB | H2 | 180.0° | 179.9° |
| CAD | CAC | CAB | BR3 | 180.0° | 180.0° |
| CAC | CAD | CAE | H1 | 180.0° | 180.0° |
| BR3 | CAB | CAC | H2 | 0.0° | 0.1° |
| H4 | CAM | CAL | H5 | 0.0° | 0.2° |
