TQL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAN | doub | 1.38Å | 1.41Å | Aromatic |
| CAM | CAL | sing | 1.40Å | 1.42Å | Aromatic |
| CAN | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | NAP | doub | 1.32Å | 1.46Å | Aromatic |
| NAP | CAQ | sing | 1.32Å | 1.42Å | Aromatic |
| CAQ | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAI | sing | 1.48Å | 1.44Å | |
| CAI | NAJ | doub | 1.30Å | 1.32Å | |
| CAI | CAH | sing | 1.48Å | 1.40Å | |
| NAJ | OAK | sing | 1.42Å | 1.37Å | |
| CAH | CAG | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | CAB | doub | 1.40Å | 1.42Å | Aromatic |
| CAG | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAD | sing | 1.39Å | 1.38Å | Aromatic |
| CAD | OAE | sing | 1.36Å | 1.34Å | |
| CAD | CAC | doub | 1.39Å | 1.38Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.37Å | Aromatic |
| CAB | OAA | sing | 1.36Å | 1.34Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| OAK | HAK | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| OAA | HAA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAM | CAL | 124.6° | 118.3° |
| CAM | CAN | CAO | 120.7° | 119.3° |
| CAN | CAM | HAM | 117.7° | 120.9° |
| CAM | CAN | HAN | 119.6° | 120.3° |
| CAM | CAL | CAQ | 115.2° | 118.9° |
| CAM | CAL | CAI | 124.0° | 120.5° |
| CAL | CAM | HAM | 117.7° | 120.8° |
| CAN | CAO | NAP | 116.2° | 121.1° |
| CAO | CAN | HAN | 119.7° | 120.4° |
| CAN | CAO | HAO | 121.9° | 119.4° |
| CAO | NAP | CAQ | 121.4° | 121.9° |
| NAP | CAO | HAO | 121.9° | 119.5° |
| NAP | CAQ | CAL | 121.9° | 120.6° |
| NAP | CAQ | HAQ | 119.1° | 119.7° |
| CAQ | CAL | CAI | 120.8° | 120.5° |
| CAL | CAQ | HAQ | 119.1° | 119.7° |
| CAL | CAI | NAJ | 121.4° | 120.0° |
| CAL | CAI | CAH | 116.3° | 120.0° |
| NAJ | CAI | CAH | 121.8° | 120.0° |
| CAI | NAJ | OAK | 111.8° | 120.0° |
| CAI | CAH | CAG | 114.7° | 120.1° |
| CAI | CAH | CAB | 126.3° | 120.1° |
| NAJ | OAK | HAK | 109.5° | 114.0° |
| CAG | CAH | CAB | 118.8° | 119.8° |
| CAH | CAG | CAF | 119.7° | 119.9° |
| CAH | CAG | HAG | 120.1° | 120.0° |
| CAH | CAB | CAC | 120.9° | 119.8° |
| CAH | CAB | OAA | 121.4° | 120.1° |
| CAG | CAF | CAD | 120.3° | 120.2° |
| CAF | CAG | HAG | 120.1° | 120.0° |
| CAG | CAF | HAF | 119.9° | 119.9° |
| CAF | CAD | OAE | 120.6° | 119.9° |
| CAF | CAD | CAC | 121.0° | 120.3° |
| CAD | CAF | HAF | 119.9° | 119.9° |
| OAE | CAD | CAC | 118.4° | 119.9° |
| CAD | OAE | HAE | 109.5° | 113.9° |
| CAD | CAC | CAB | 119.3° | 120.0° |
| CAD | CAC | HAC | 120.3° | 120.1° |
| CAC | CAB | OAA | 117.6° | 120.1° |
| CAB | CAC | HAC | 120.3° | 119.9° |
| CAB | OAA | HAA | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAM | CAL | HAM | 180.0° | 179.8° |
| CAM | CAN | CAO | HAN | 180.0° | 180.0° |
| CAM | CAN | CAO | NAP | 1.4° | 0.1° |
| CAN | CAM | CAL | CAQ | 1.8° | 0.0° |
| CAN | CAM | CAL | CAI | 179.5° | 180.0° |
| CAM | CAN | CAO | HAO | 178.6° | 180.0° |
| CAL | CAM | CAN | CAO | 1.5° | 0.0° |
| CAM | CAL | CAQ | NAP | 2.1° | 0.1° |
| CAM | CAL | CAQ | CAI | 177.7° | 180.0° |
| CAM | CAL | CAI | NAJ | 62.7° | 140.3° |
| CAM | CAL | CAI | CAH | 125.2° | 39.8° |
| CAL | CAM | CAN | HAN | 178.4° | 179.9° |
| CAM | CAL | CAQ | HAQ | 177.9° | 179.9° |
| CAN | CAO | NAP | HAO | 180.0° | 179.9° |
| CAN | CAO | NAP | CAQ | 1.7° | 0.1° |
| CAO | CAN | CAM | HAM | 178.4° | 179.7° |
| CAO | NAP | CAQ | CAL | 2.2° | 0.1° |
| NAP | CAO | CAN | HAN | 178.6° | 179.9° |
| CAO | NAP | CAQ | HAQ | 177.9° | 180.0° |
| NAP | CAQ | CAL | HAQ | 180.0° | 179.9° |
| NAP | CAQ | CAL | CAI | 179.9° | 180.0° |
| CAQ | NAP | CAO | HAO | 178.3° | 180.0° |
| CAQ | CAL | CAI | NAJ | 119.8° | 39.7° |
| CAQ | CAL | CAI | CAH | 52.3° | 140.3° |
| CAQ | CAL | CAM | HAM | 178.2° | 179.7° |
| CAL | CAI | NAJ | CAH | 171.6° | 180.0° |
| CAL | CAI | NAJ | OAK | 7.7° | 6.0° |
| CAL | CAI | CAH | CAG | 47.0° | 6.8° |
| CAL | CAI | CAH | CAB | 127.8° | 173.5° |
| CAI | CAL | CAM | HAM | 0.5° | 0.2° |
| CAI | CAL | CAQ | HAQ | 0.2° | 0.1° |
| NAJ | CAI | CAH | CAG | 141.0° | 173.2° |
| NAJ | CAI | CAH | CAB | 44.2° | 6.6° |
| CAI | NAJ | OAK | HAK | 180.0° | 180.0° |
| CAH | CAI | NAJ | OAK | 179.3° | 174.0° |
| CAI | CAH | CAG | CAB | 175.2° | 179.8° |
| CAI | CAH | CAG | CAF | 174.8° | 180.0° |
| CAI | CAH | CAB | CAC | 174.1° | 179.7° |
| CAI | CAH | CAB | OAA | 10.7° | 0.0° |
| CAI | CAH | CAG | HAG | 5.2° | 0.1° |
| CAH | CAG | CAF | HAG | 180.0° | 180.0° |
| CAH | CAG | CAF | CAD | 0.9° | 0.0° |
| CAG | CAH | CAB | CAC | 0.5° | 0.6° |
| CAG | CAH | CAB | OAA | 174.7° | 179.8° |
| CAH | CAG | CAF | HAF | 179.1° | 180.0° |
| CAB | CAH | CAG | CAF | 0.4° | 0.3° |
| CAH | CAB | CAC | CAD | 0.6° | 0.6° |
| CAH | CAB | CAC | OAA | 175.3° | 179.7° |
| CAB | CAH | CAG | HAG | 179.6° | 179.7° |
| CAH | CAB | CAC | HAC | 179.4° | 179.7° |
| CAH | CAB | OAA | HAA | 180.0° | 90.0° |
| CAG | CAF | CAD | HAF | 180.0° | 180.0° |
| CAG | CAF | CAD | OAE | 179.2° | 180.0° |
| CAG | CAF | CAD | CAC | 2.1° | 0.0° |
| CAF | CAD | OAE | CAC | 178.8° | 180.0° |
| CAF | CAD | CAC | CAB | 1.9° | 0.3° |
| CAD | CAF | CAG | HAG | 179.1° | 180.0° |
| CAF | CAD | OAE | HAE | 180.0° | 90.0° |
| CAF | CAD | CAC | HAC | 178.1° | 180.0° |
| OAE | CAD | CAC | CAB | 179.3° | 179.7° |
| OAE | CAD | CAF | HAF | 0.8° | 0.1° |
| OAE | CAD | CAC | HAC | 0.7° | 0.0° |
| CAD | CAC | CAB | HAC | 180.0° | 179.7° |
| CAD | CAC | CAB | OAA | 176.0° | 179.7° |
| CAC | CAD | CAF | HAF | 177.9° | 180.0° |
| CAC | CAD | OAE | HAE | 1.3° | 90.0° |
| CAC | CAB | OAA | HAA | 4.7° | 89.7° |
| OAA | CAB | CAC | HAC | 4.0° | 0.0° |
| HAM | CAM | CAN | HAN | 1.6° | 0.3° |
| HAN | CAN | CAO | HAO | 1.4° | 0.0° |
| HAG | CAG | CAF | HAF | 0.9° | 0.0° |
