WZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | CAN | doub | 1.34Å | 0.00Å | Aromatic |
| CAO | CAP | sing | 1.41Å | 0.00Å | Aromatic |
| CAN | OAM | sing | 1.34Å | 0.00Å | Aromatic |
| CAP | CAL | doub | 1.34Å | 0.00Å | Aromatic |
| OAM | CAL | sing | 1.34Å | 0.00Å | Aromatic |
| CAL | CAK | sing | 1.51Å | 0.00Å | |
| CAK | NAJ | sing | 1.46Å | 0.00Å | |
| NAJ | CAH | sing | 1.38Å | 0.00Å | |
| CAH | NAG | doub | 1.31Å | 0.00Å | Aromatic |
| CAH | NAI | sing | 1.37Å | 0.00Å | Aromatic |
| NAG | CAE | sing | 1.36Å | 0.00Å | Aromatic |
| NAI | CAF | sing | 1.39Å | 0.00Å | Aromatic |
| CAE | CAF | doub | 1.40Å | 0.00Å | Aromatic |
| CAE | CAD | sing | 1.40Å | 0.00Å | Aromatic |
| CAF | CAA | sing | 1.39Å | 0.00Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 0.00Å | Aromatic |
| CAA | CAB | doub | 1.38Å | 0.00Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 0.00Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 0.00Å | |
| CAB | HAB | sing | 1.08Å | 0.00Å | |
| CAC | HAC | sing | 1.08Å | 0.00Å | |
| CAD | HAD | sing | 1.08Å | 0.00Å | |
| CAK | HAL | sing | 1.09Å | 0.00Å | |
| CAK | HAK | sing | 1.09Å | 0.00Å | |
| CAN | HAN | sing | 1.08Å | 0.00Å | |
| CAO | HAO | sing | 1.08Å | 0.00Å | |
| CAP | HAP | sing | 1.08Å | 0.00Å | |
| NAI | HAI | sing | 0.97Å | 0.00Å | |
| NAJ | HAJ | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAO | CAP | 90.0° | 106.8° |
| CAO | CAN | OAM | 90.0° | 108.4° |
| CAO | CAN | HAN | 90.0° | 125.8° |
| CAN | CAO | HAO | 90.0° | 126.6° |
| CAO | CAP | CAL | 90.0° | 106.9° |
| CAP | CAO | HAO | 90.0° | 126.6° |
| CAO | CAP | HAP | 90.0° | 126.6° |
| CAN | OAM | CAL | 90.0° | 109.5° |
| OAM | CAN | HAN | 90.0° | 125.8° |
| CAP | CAL | OAM | 90.0° | 108.4° |
| CAP | CAL | CAK | 90.0° | 125.8° |
| CAL | CAP | HAP | 90.0° | 126.5° |
| OAM | CAL | CAK | 90.0° | 125.8° |
| CAL | CAK | NAJ | 90.0° | 109.5° |
| CAL | CAK | HAL | 90.0° | 109.5° |
| CAL | CAK | HAK | 90.0° | 109.5° |
| CAK | NAJ | CAH | 90.0° | 120.0° |
| NAJ | CAK | HAL | 90.0° | 109.5° |
| NAJ | CAK | HAK | 90.0° | 109.4° |
| CAK | NAJ | HAJ | 90.0° | 120.0° |
| NAJ | CAH | NAG | 90.0° | 125.1° |
| NAJ | CAH | NAI | 90.0° | 125.0° |
| CAH | NAJ | HAJ | 90.0° | 119.9° |
| NAG | CAH | NAI | 90.0° | 109.9° |
| CAH | NAG | CAE | 90.0° | 109.6° |
| CAH | NAI | CAF | 90.0° | 107.3° |
| CAH | NAI | HAI | 90.0° | 126.4° |
| NAG | CAE | CAF | 90.0° | 107.1° |
| NAG | CAE | CAD | 90.0° | 133.4° |
| NAI | CAF | CAE | 90.0° | 106.1° |
| NAI | CAF | CAA | 90.0° | 133.9° |
| CAF | NAI | HAI | 90.0° | 126.4° |
| CAF | CAE | CAD | 90.0° | 119.5° |
| CAE | CAF | CAA | 90.0° | 120.0° |
| CAE | CAD | CAC | 90.0° | 119.8° |
| CAE | CAD | HAD | 90.0° | 120.1° |
| CAF | CAA | CAB | 90.0° | 119.8° |
| CAF | CAA | HAA | 90.0° | 120.1° |
| CAD | CAC | CAB | 90.0° | 120.5° |
| CAD | CAC | HAC | 90.0° | 119.7° |
| CAC | CAD | HAD | 90.0° | 120.1° |
| CAA | CAB | CAC | 90.0° | 120.5° |
| CAB | CAA | HAA | 90.0° | 120.1° |
| CAA | CAB | HAB | 90.0° | 119.8° |
| CAC | CAB | HAB | 90.0° | 119.8° |
| CAB | CAC | HAC | 90.0° | 119.8° |
| HAL | CAK | HAK | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAO | CAP | HAO | 90.0° | 179.9° |
| CAO | CAN | OAM | HAN | 90.0° | 179.8° |
| CAN | CAO | CAP | CAL | 90.0° | 0.1° |
| CAO | CAN | OAM | CAL | 90.0° | 0.2° |
| CAN | CAO | CAP | HAP | 90.0° | 180.0° |
| CAP | CAO | CAN | OAM | 90.0° | 0.0° |
| CAO | CAP | CAL | HAP | 90.0° | 179.9° |
| CAO | CAP | CAL | OAM | 90.0° | 0.3° |
| CAO | CAP | CAL | CAK | 90.0° | 179.9° |
| CAP | CAO | CAN | HAN | 90.0° | 179.8° |
| CAN | OAM | CAL | CAP | 90.0° | 0.3° |
| CAN | OAM | CAL | CAK | 90.0° | 180.0° |
| OAM | CAN | CAO | HAO | 90.0° | 179.9° |
| CAP | CAL | OAM | CAK | 90.0° | 179.7° |
| CAP | CAL | CAK | NAJ | 90.0° | 90.0° |
| CAP | CAL | CAK | HAL | 90.0° | 149.9° |
| CAP | CAL | CAK | HAK | 90.0° | 30.0° |
| CAL | CAP | CAO | HAO | 90.0° | 179.8° |
| OAM | CAL | CAK | NAJ | 90.0° | 90.4° |
| OAM | CAL | CAK | HAL | 90.0° | 29.7° |
| OAM | CAL | CAK | HAK | 90.0° | 149.7° |
| CAL | OAM | CAN | HAN | 90.0° | 180.0° |
| OAM | CAL | CAP | HAP | 90.0° | 179.8° |
| CAL | CAK | NAJ | HAL | 90.0° | 120.1° |
| CAL | CAK | NAJ | HAK | 90.0° | 120.0° |
| CAL | CAK | NAJ | CAH | 90.0° | 180.0° |
| CAL | CAK | HAL | HAK | 90.0° | 120.0° |
| CAK | CAL | CAP | HAP | 90.0° | 0.1° |
| CAL | CAK | NAJ | HAJ | 90.0° | 0.0° |
| CAK | NAJ | CAH | HAJ | 90.0° | 180.0° |
| CAK | NAJ | CAH | NAG | 90.0° | 180.0° |
| CAK | NAJ | CAH | NAI | 90.0° | 0.5° |
| NAJ | CAK | HAL | HAK | 90.0° | 120.0° |
| NAJ | CAH | NAG | NAI | 90.0° | 179.5° |
| NAJ | CAH | NAG | CAE | 90.0° | 180.0° |
| NAJ | CAH | NAI | CAF | 90.0° | 179.7° |
| CAH | NAJ | CAK | HAL | 90.0° | 59.9° |
| CAH | NAJ | CAK | HAK | 90.0° | 60.0° |
| NAJ | CAH | NAI | HAI | 90.0° | 0.6° |
| NAG | CAH | NAI | CAF | 90.0° | 0.8° |
| CAH | NAG | CAE | CAF | 90.0° | 0.0° |
| CAH | NAG | CAE | CAD | 90.0° | 179.4° |
| NAG | CAH | NAI | HAI | 90.0° | 179.9° |
| NAG | CAH | NAJ | HAJ | 90.0° | 0.0° |
| NAI | CAH | NAG | CAE | 90.0° | 0.5° |
| CAH | NAI | CAF | HAI | 90.0° | 179.1° |
| CAH | NAI | CAF | CAE | 90.0° | 0.8° |
| CAH | NAI | CAF | CAA | 90.0° | 179.7° |
| NAI | CAH | NAJ | HAJ | 90.0° | 179.5° |
| NAG | CAE | CAF | NAI | 90.0° | 0.5° |
| NAG | CAE | CAF | CAD | 90.0° | 179.5° |
| NAG | CAE | CAF | CAA | 90.0° | 179.9° |
| NAG | CAE | CAD | CAC | 90.0° | 179.5° |
| NAG | CAE | CAD | HAD | 90.0° | 0.5° |
| NAI | CAF | CAE | CAA | 90.0° | 179.6° |
| NAI | CAF | CAE | CAD | 90.0° | 180.0° |
| NAI | CAF | CAA | CAB | 90.0° | 179.9° |
| NAI | CAF | CAA | HAA | 90.0° | 0.3° |
| CAF | CAE | CAD | CAC | 90.0° | 0.2° |
| CAE | CAF | CAA | CAB | 90.0° | 0.4° |
| CAE | CAF | CAA | HAA | 90.0° | 179.8° |
| CAF | CAE | CAD | HAD | 90.0° | 179.8° |
| CAE | CAF | NAI | HAI | 90.0° | 179.9° |
| CAD | CAE | CAF | CAA | 90.0° | 0.4° |
| CAE | CAD | CAC | HAD | 90.0° | 179.9° |
| CAE | CAD | CAC | CAB | 90.0° | 0.0° |
| CAE | CAD | CAC | HAC | 90.0° | 180.0° |
| CAF | CAA | CAB | HAA | 90.0° | 179.8° |
| CAF | CAA | CAB | CAC | 90.0° | 0.2° |
| CAF | CAA | CAB | HAB | 90.0° | 179.8° |
| CAA | CAF | NAI | HAI | 90.0° | 0.6° |
| CAD | CAC | CAB | CAA | 90.0° | 0.0° |
| CAD | CAC | CAB | HAC | 90.0° | 180.0° |
| CAD | CAC | CAB | HAB | 90.0° | 180.0° |
| CAA | CAB | CAC | HAB | 90.0° | 180.0° |
| CAA | CAB | CAC | HAC | 90.0° | 180.0° |
| CAC | CAB | CAA | HAA | 90.0° | 180.0° |
| CAB | CAC | CAD | HAD | 90.0° | 180.0° |
| HAA | CAA | CAB | HAB | 90.0° | 0.0° |
| HAB | CAB | CAC | HAC | 90.0° | 0.0° |
| HAC | CAC | CAD | HAD | 90.0° | 0.1° |
| HAL | CAK | NAJ | HAJ | 90.0° | 120.1° |
| HAK | CAK | NAJ | HAJ | 90.0° | 120.0° |
| HAN | CAN | CAO | HAO | 90.0° | 0.3° |
| HAO | CAO | CAP | HAP | 90.0° | 0.1° |
