3W8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAL | sing | 1.53Å | 1.51Å | |
| CAL | OAH | sing | 1.43Å | 1.41Å | |
| OAH | CAD | sing | 1.36Å | 1.40Å | |
| CAD | CAE | doub | 1.39Å | 1.35Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.50Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.50Å | Aromatic |
| CAC | CAB | doub | 1.38Å | 1.35Å | Aromatic |
| CAF | CAA | doub | 1.38Å | 1.35Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.50Å | Aromatic |
| CAA | SAG | sing | 1.76Å | 1.75Å | |
| NAK | SAG | sing | 1.66Å | 1.63Å | |
| SAG | OAJ | doub | 1.42Å | 1.43Å | |
| SAG | OAI | doub | 1.42Å | 1.45Å | |
| CAM | HAN | sing | 1.09Å | 1.10Å | |
| CAM | HAO | sing | 1.09Å | 1.10Å | |
| CAM | HAP | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HAM | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| NAK | HAQ | sing | 0.97Å | 1.00Å | |
| NAK | HAK | sing | 0.97Å | 1.00Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | CAL | OAH | 106.6° | 109.5° |
| CAL | CAM | HAN | 109.5° | 109.5° |
| CAL | CAM | HAO | 109.4° | 109.5° |
| CAL | CAM | HAP | 109.4° | 109.5° |
| CAM | CAL | HAL | 110.2° | 109.5° |
| CAM | CAL | HAM | 110.2° | 109.5° |
| CAL | OAH | CAD | 115.7° | 117.0° |
| OAH | CAL | HAL | 110.2° | 109.5° |
| OAH | CAL | HAM | 110.2° | 109.4° |
| OAH | CAD | CAE | 121.5° | 120.1° |
| OAH | CAD | CAC | 118.2° | 120.0° |
| CAE | CAD | CAC | 120.3° | 119.9° |
| CAD | CAE | CAF | 119.5° | 120.0° |
| CAD | CAE | HAE | 120.3° | 120.0° |
| CAD | CAC | CAB | 120.7° | 119.9° |
| CAD | CAC | HAC | 119.7° | 120.0° |
| CAE | CAF | CAA | 119.8° | 120.0° |
| CAE | CAF | HAF | 120.1° | 120.0° |
| CAF | CAE | HAE | 120.2° | 120.0° |
| CAC | CAB | CAA | 118.9° | 120.0° |
| CAB | CAC | HAC | 119.7° | 120.1° |
| CAC | CAB | HAB | 120.6° | 119.9° |
| CAF | CAA | CAB | 120.9° | 120.1° |
| CAF | CAA | SAG | 120.2° | 119.9° |
| CAA | CAF | HAF | 120.1° | 120.0° |
| CAB | CAA | SAG | 118.8° | 119.9° |
| CAA | CAB | HAB | 120.6° | 120.0° |
| CAA | SAG | NAK | 108.0° | 107.2° |
| CAA | SAG | OAJ | 111.0° | 106.4° |
| CAA | SAG | OAI | 106.9° | 106.4° |
| NAK | SAG | OAJ | 112.1° | 106.4° |
| NAK | SAG | OAI | 110.7° | 106.4° |
| SAG | NAK | HAQ | 109.5° | 120.0° |
| SAG | NAK | HAK | 109.5° | 120.0° |
| OAJ | SAG | OAI | 108.0° | 123.2° |
| HAN | CAM | HAO | 109.5° | 109.5° |
| HAN | CAM | HAP | 109.5° | 109.5° |
| HAO | CAM | HAP | 109.5° | 109.5° |
| HAL | CAL | HAM | 109.5° | 109.4° |
| HAQ | NAK | HAK | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | CAL | OAH | HAL | 119.6° | 120.1° |
| CAM | CAL | OAH | HAM | 119.6° | 120.0° |
| CAM | CAL | OAH | CAD | 171.5° | 180.0° |
| CAL | CAM | HAN | HAO | 120.0° | 120.0° |
| CAL | CAM | HAN | HAP | 120.0° | 120.0° |
| CAL | CAM | HAO | HAP | 119.9° | 120.0° |
| CAM | CAL | HAL | HAM | 121.3° | 120.0° |
| CAL | OAH | CAD | CAE | 2.7° | 180.0° |
| CAL | OAH | CAD | CAC | 177.7° | 0.3° |
| OAH | CAL | CAM | HAN | 180.0° | 60.0° |
| OAH | CAL | CAM | HAO | 60.0° | 60.0° |
| OAH | CAL | CAM | HAP | 60.0° | 180.0° |
| OAH | CAL | HAL | HAM | 121.3° | 119.9° |
| OAH | CAD | CAE | CAC | 179.5° | 179.8° |
| OAH | CAD | CAE | CAF | 179.5° | 179.7° |
| OAH | CAD | CAC | CAB | 179.9° | 180.0° |
| CAD | OAH | CAL | HAL | 68.9° | 60.0° |
| CAD | OAH | CAL | HAM | 51.9° | 60.0° |
| OAH | CAD | CAC | HAC | 0.1° | 0.0° |
| OAH | CAD | CAE | HAE | 0.5° | 0.0° |
| CAD | CAE | CAF | HAE | 180.0° | 179.8° |
| CAE | CAD | CAC | CAB | 0.5° | 0.2° |
| CAD | CAE | CAF | CAA | 1.3° | 0.5° |
| CAE | CAD | CAC | HAC | 179.4° | 179.8° |
| CAD | CAE | CAF | HAF | 178.7° | 179.8° |
| CAC | CAD | CAE | CAF | 1.0° | 0.5° |
| CAD | CAC | CAB | HAC | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 0.4° | 0.1° |
| CAD | CAC | CAB | HAB | 179.6° | 180.0° |
| CAC | CAD | CAE | HAE | 179.0° | 179.7° |
| CAE | CAF | CAA | HAF | 180.0° | 179.7° |
| CAE | CAF | CAA | CAB | 1.1° | 0.2° |
| CAE | CAF | CAA | SAG | 179.2° | 179.8° |
| CAC | CAB | CAA | CAF | 0.7° | 0.1° |
| CAC | CAB | CAA | HAB | 180.0° | 179.9° |
| CAC | CAB | CAA | SAG | 178.9° | 180.0° |
| CAF | CAA | CAB | SAG | 178.2° | 180.0° |
| CAF | CAA | SAG | NAK | 46.3° | 90.0° |
| CAF | CAA | SAG | OAJ | 169.6° | 156.5° |
| CAF | CAA | SAG | OAI | 72.9° | 23.6° |
| CAF | CAA | CAB | HAB | 179.3° | 180.0° |
| CAA | CAF | CAE | HAE | 178.7° | 179.8° |
| CAB | CAA | SAG | NAK | 135.5° | 90.0° |
| CAB | CAA | SAG | OAJ | 12.3° | 23.5° |
| CAB | CAA | SAG | OAI | 105.3° | 156.5° |
| CAA | CAB | CAC | HAC | 179.6° | 179.9° |
| CAB | CAA | CAF | HAF | 178.9° | 179.9° |
| CAA | SAG | NAK | OAJ | 122.6° | 113.5° |
| CAA | SAG | NAK | OAI | 116.7° | 113.5° |
| CAA | SAG | OAJ | OAI | 116.9° | 122.9° |
| SAG | CAA | CAB | HAB | 1.1° | 0.0° |
| CAA | SAG | NAK | HAQ | 180.0° | 150.0° |
| CAA | SAG | NAK | HAK | 60.0° | 30.0° |
| SAG | CAA | CAF | HAF | 0.7° | 0.0° |
| NAK | SAG | OAJ | OAI | 122.2° | 123.0° |
| SAG | NAK | HAQ | HAK | 120.0° | 180.0° |
| OAJ | SAG | NAK | HAQ | 57.3° | 96.5° |
| OAJ | SAG | NAK | HAK | 62.6° | 83.5° |
| OAI | SAG | NAK | HAQ | 63.3° | 36.5° |
| OAI | SAG | NAK | HAK | 176.7° | 143.5° |
| HAN | CAM | HAO | HAP | 120.0° | 120.0° |
| HAN | CAM | CAL | HAL | 60.4° | 60.0° |
| HAN | CAM | CAL | HAM | 60.5° | 180.0° |
| HAO | CAM | CAL | HAL | 59.6° | 180.0° |
| HAO | CAM | CAL | HAM | 179.5° | 60.0° |
| HAP | CAM | CAL | HAL | 179.5° | 60.0° |
| HAP | CAM | CAL | HAM | 59.6° | 60.0° |
| HAC | CAC | CAB | HAB | 0.4° | 0.0° |
| HAF | CAF | CAE | HAE | 1.3° | 0.0° |
