CH8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | OAK | sing | 1.36Å | 1.36Å | |
| OAK | CAO | sing | 1.36Å | 1.38Å | |
| CAO | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAO | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CL1 | sing | 1.74Å | 1.72Å | |
| CAL | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | OAA | sing | 1.36Å | 1.36Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| OAA | HAA | sing | 0.97Å | 0.95Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAF | CAN | 119.0° | 120.0° |
| CAF | CAD | CAC | 120.9° | 120.0° |
| CAD | CAF | HAF | 120.5° | 120.0° |
| CAF | CAD | HAD | 119.5° | 120.0° |
| CAF | CAN | CAG | 120.4° | 119.9° |
| CAF | CAN | OAK | 118.4° | 120.1° |
| CAN | CAF | HAF | 120.5° | 120.0° |
| CAD | CAC | CAE | 119.4° | 120.1° |
| CAC | CAD | HAD | 119.5° | 120.0° |
| CAD | CAC | HAC | 120.3° | 119.9° |
| CAC | CAE | CAG | 120.0° | 120.1° |
| CAE | CAC | HAC | 120.3° | 120.0° |
| CAC | CAE | HAE | 120.0° | 120.0° |
| CAE | CAG | CAN | 120.2° | 119.9° |
| CAG | CAE | HAE | 120.0° | 120.0° |
| CAE | CAG | HAG | 119.9° | 120.1° |
| CAG | CAN | OAK | 121.1° | 120.0° |
| CAN | CAG | HAG | 119.9° | 120.0° |
| CAN | OAK | CAO | 114.9° | 118.0° |
| OAK | CAO | CAI | 121.7° | 120.1° |
| OAK | CAO | CAM | 118.7° | 120.1° |
| CAI | CAO | CAM | 119.5° | 119.9° |
| CAO | CAI | CAH | 121.1° | 120.0° |
| CAO | CAI | HAI | 119.5° | 120.0° |
| CAO | CAM | CAJ | 120.3° | 119.9° |
| CAO | CAM | OAA | 117.9° | 120.1° |
| CAI | CAH | CAL | 118.8° | 120.1° |
| CAH | CAI | HAI | 119.5° | 120.0° |
| CAI | CAH | HAH | 120.6° | 119.9° |
| CAH | CAL | CL1 | 118.9° | 120.0° |
| CAH | CAL | CAJ | 121.3° | 120.1° |
| CAL | CAH | HAH | 120.6° | 119.9° |
| CL1 | CAL | CAJ | 119.8° | 119.9° |
| CAL | CAJ | CAM | 118.9° | 120.0° |
| CAL | CAJ | HAJ | 120.6° | 120.0° |
| CAJ | CAM | OAA | 121.7° | 120.1° |
| CAM | CAJ | HAJ | 120.6° | 120.0° |
| CAM | OAA | HAA | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAF | CAN | HAF | 180.0° | 179.7° |
| CAF | CAD | CAC | HAD | 180.0° | 180.0° |
| CAF | CAD | CAC | CAE | 0.4° | 0.0° |
| CAD | CAF | CAN | CAG | 1.8° | 0.0° |
| CAD | CAF | CAN | OAK | 179.2° | 180.0° |
| CAF | CAD | CAC | HAC | 179.6° | 180.0° |
| CAN | CAF | CAD | CAC | 1.6° | 0.0° |
| CAF | CAN | CAG | CAE | 0.7° | 0.0° |
| CAF | CAN | CAG | OAK | 177.3° | 180.0° |
| CAF | CAN | OAK | CAO | 176.6° | 67.6° |
| CAN | CAF | CAD | HAD | 178.4° | 180.0° |
| CAF | CAN | CAG | HAG | 179.3° | 180.0° |
| CAD | CAC | CAE | HAC | 180.0° | 180.0° |
| CAD | CAC | CAE | CAG | 0.7° | 0.0° |
| CAC | CAD | CAF | HAF | 178.3° | 179.7° |
| CAD | CAC | CAE | HAE | 179.3° | 179.9° |
| CAC | CAE | CAG | HAE | 180.0° | 180.0° |
| CAC | CAE | CAG | CAN | 0.6° | 0.0° |
| CAE | CAC | CAD | HAD | 179.6° | 180.0° |
| CAC | CAE | CAG | HAG | 179.4° | 180.0° |
| CAE | CAG | CAN | HAG | 180.0° | 180.0° |
| CAE | CAG | CAN | OAK | 178.0° | 180.0° |
| CAG | CAE | CAC | HAC | 179.3° | 180.0° |
| CAG | CAN | OAK | CAO | 0.8° | 112.4° |
| CAG | CAN | CAF | HAF | 178.2° | 179.8° |
| CAN | CAG | CAE | HAE | 179.4° | 180.0° |
| CAN | OAK | CAO | CAI | 96.5° | 6.2° |
| CAN | OAK | CAO | CAM | 87.4° | 174.0° |
| OAK | CAN | CAF | HAF | 0.8° | 0.2° |
| OAK | CAN | CAG | HAG | 2.0° | 0.0° |
| OAK | CAO | CAI | CAM | 176.1° | 179.7° |
| OAK | CAO | CAI | CAH | 178.4° | 180.0° |
| OAK | CAO | CAM | CAJ | 178.1° | 179.8° |
| OAK | CAO | CAM | OAA | 3.5° | 0.0° |
| OAK | CAO | CAI | HAI | 1.6° | 0.0° |
| CAO | CAI | CAH | HAI | 180.0° | 179.9° |
| CAO | CAI | CAH | CAL | 1.0° | 0.0° |
| CAI | CAO | CAM | CAJ | 2.0° | 0.5° |
| CAI | CAO | CAM | OAA | 179.7° | 179.7° |
| CAO | CAI | CAH | HAH | 179.0° | 179.9° |
| CAM | CAO | CAI | CAH | 2.4° | 0.3° |
| CAO | CAM | CAJ | CAL | 1.7° | 0.5° |
| CAO | CAM | CAJ | OAA | 178.3° | 179.8° |
| CAM | CAO | CAI | HAI | 177.6° | 179.8° |
| CAO | CAM | CAJ | HAJ | 178.3° | 179.7° |
| CAO | CAM | OAA | HAA | 180.0° | 90.0° |
| CAI | CAH | CAL | HAH | 180.0° | 180.0° |
| CAI | CAH | CAL | CL1 | 178.5° | 180.0° |
| CAI | CAH | CAL | CAJ | 4.8° | 0.0° |
| CAH | CAL | CL1 | CAJ | 176.8° | 180.0° |
| CAH | CAL | CAJ | CAM | 5.2° | 0.2° |
| CAL | CAH | CAI | HAI | 179.0° | 180.0° |
| CAH | CAL | CAJ | HAJ | 174.8° | 180.0° |
| CL1 | CAL | CAJ | CAM | 178.1° | 179.8° |
| CL1 | CAL | CAJ | HAJ | 1.9° | 0.0° |
| CL1 | CAL | CAH | HAH | 1.5° | 0.0° |
| CAL | CAJ | CAM | HAJ | 180.0° | 179.8° |
| CAL | CAJ | CAM | OAA | 176.5° | 179.7° |
| CAJ | CAL | CAH | HAH | 175.2° | 180.0° |
| CAJ | CAM | OAA | HAA | 1.7° | 89.8° |
| OAA | CAM | CAJ | HAJ | 3.5° | 0.1° |
| HAF | CAF | CAD | HAD | 1.6° | 0.3° |
| HAD | CAD | CAC | HAC | 0.4° | 0.0° |
| HAC | CAC | CAE | HAE | 0.7° | 0.0° |
| HAE | CAE | CAG | HAG | 0.6° | 0.0° |
| HAI | CAI | CAH | HAH | 1.0° | 0.0° |
