247
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| OAK | CAE | sing | 1.36Å | 1.36Å | |
| CAE | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | CAG | sing | 1.51Å | 1.53Å | |
| CAA | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| NAJ | CAG | sing | 1.47Å | 1.47Å | |
| CAG | CAH | sing | 1.53Å | 1.53Å | |
| CAD | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| OAM | CAI | doub | 1.21Å | 1.25Å | |
| CAH | F1 | sing | 1.40Å | 1.09Å | |
| CAH | CAI | sing | 1.51Å | 1.53Å | |
| CAH | F2 | sing | 1.40Å | 1.09Å | |
| CAI | OAL | sing | 1.34Å | 1.25Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| OAK | HOAK | sing | 0.97Å | 0.95Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| NAJ | HAJ1 | sing | 1.01Å | 1.00Å | |
| NAJ | HAJ2 | sing | 1.01Å | 1.00Å | |
| OAL | HOAL | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAF | CAE | 120.0° | 119.9° |
| CAF | CAC | CAA | 120.1° | 120.0° |
| CAC | CAF | HAF | 120.0° | 120.0° |
| CAF | CAC | HAC | 119.9° | 120.0° |
| CAF | CAE | OAK | 119.8° | 120.0° |
| CAF | CAE | CAD | 120.0° | 119.9° |
| CAE | CAF | HAF | 120.0° | 120.0° |
| CAC | CAA | CAG | 119.5° | 119.9° |
| CAC | CAA | CAB | 119.9° | 120.1° |
| CAA | CAC | HAC | 119.9° | 120.0° |
| OAK | CAE | CAD | 120.2° | 120.1° |
| CAE | OAK | HOAK | 109.5° | 114.0° |
| CAE | CAD | CAB | 119.9° | 120.0° |
| CAE | CAD | HAD | 120.0° | 120.0° |
| CAG | CAA | CAB | 120.6° | 120.0° |
| CAA | CAG | NAJ | 109.2° | 109.5° |
| CAA | CAG | CAH | 109.8° | 109.5° |
| CAA | CAG | HAG | 109.7° | 109.5° |
| CAA | CAB | CAD | 120.1° | 120.1° |
| CAA | CAB | HAB | 119.9° | 120.0° |
| NAJ | CAG | CAH | 110.2° | 109.5° |
| NAJ | CAG | HAG | 109.3° | 109.4° |
| CAG | NAJ | HAJ1 | 109.5° | 111.0° |
| CAG | NAJ | HAJ2 | 109.5° | 110.9° |
| CAG | CAH | F1 | 108.9° | 109.5° |
| CAG | CAH | CAI | 111.6° | 109.5° |
| CAG | CAH | F2 | 109.0° | 109.5° |
| CAH | CAG | HAG | 108.7° | 109.5° |
| CAD | CAB | HAB | 120.0° | 120.0° |
| CAB | CAD | HAD | 120.0° | 120.0° |
| OAM | CAI | CAH | 117.2° | 120.0° |
| OAM | CAI | OAL | 125.8° | 120.0° |
| F1 | CAH | CAI | 108.9° | 109.5° |
| F1 | CAH | F2 | 109.4° | 109.5° |
| CAI | CAH | F2 | 109.0° | 109.5° |
| CAH | CAI | OAL | 117.0° | 120.0° |
| CAI | OAL | HOAL | 109.5° | 117.0° |
| HAJ1 | NAJ | HAJ2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAF | CAE | HAF | 180.0° | 179.7° |
| CAF | CAC | CAA | HAC | 180.0° | 179.7° |
| CAC | CAF | CAE | OAK | 178.7° | 180.0° |
| CAC | CAF | CAE | CAD | 0.4° | 0.0° |
| CAF | CAC | CAA | CAG | 178.0° | 180.0° |
| CAF | CAC | CAA | CAB | 0.1° | 0.5° |
| CAE | CAF | CAC | CAA | 0.2° | 0.3° |
| CAF | CAE | OAK | CAD | 179.1° | 180.0° |
| CAF | CAE | CAD | CAB | 0.3° | 0.0° |
| CAF | CAE | CAD | HAD | 179.7° | 180.0° |
| CAF | CAE | OAK | HOAK | 5.8° | 90.0° |
| CAE | CAF | CAC | HAC | 179.8° | 180.0° |
| CAC | CAA | CAG | CAB | 178.1° | 179.5° |
| CAC | CAA | CAG | NAJ | 89.7° | 140.0° |
| CAC | CAA | CAG | CAH | 149.4° | 100.0° |
| CAC | CAA | CAB | CAD | 0.2° | 0.6° |
| CAC | CAA | CAB | HAB | 179.8° | 179.7° |
| CAA | CAC | CAF | HAF | 179.8° | 180.0° |
| CAC | CAA | CAG | HAG | 30.0° | 20.0° |
| OAK | CAE | CAD | CAB | 178.8° | 180.0° |
| OAK | CAE | CAD | HAD | 1.2° | 0.1° |
| OAK | CAE | CAF | HAF | 1.3° | 0.3° |
| CAE | CAD | CAB | CAA | 0.0° | 0.3° |
| CAE | CAD | CAB | HAD | 180.0° | 179.9° |
| CAE | CAD | CAB | HAB | 180.0° | 180.0° |
| CAD | CAE | OAK | HOAK | 175.1° | 90.0° |
| CAD | CAE | CAF | HAF | 179.6° | 179.7° |
| CAA | CAG | NAJ | CAH | 120.6° | 120.0° |
| CAA | CAG | NAJ | HAG | 120.0° | 120.0° |
| CAA | CAG | CAH | HAG | 120.0° | 120.0° |
| CAG | CAA | CAB | CAD | 177.9° | 180.0° |
| CAA | CAG | CAH | F1 | 34.9° | 60.0° |
| CAA | CAG | CAH | CAI | 155.3° | 180.0° |
| CAA | CAG | CAH | F2 | 84.3° | 60.0° |
| CAG | CAA | CAB | HAB | 2.1° | 0.3° |
| CAG | CAA | CAC | HAC | 2.0° | 0.2° |
| CAA | CAG | NAJ | HAJ1 | 107.6° | 63.9° |
| CAA | CAG | NAJ | HAJ2 | 132.4° | 60.0° |
| CAB | CAA | CAG | NAJ | 92.1° | 40.6° |
| CAB | CAA | CAG | CAH | 28.8° | 79.5° |
| CAA | CAB | CAD | HAB | 180.0° | 179.7° |
| CAA | CAB | CAD | HAD | 180.0° | 179.8° |
| CAB | CAA | CAC | HAC | 179.8° | 179.7° |
| CAB | CAA | CAG | HAG | 148.1° | 160.5° |
| NAJ | CAG | CAH | HAG | 119.8° | 120.0° |
| NAJ | CAG | CAH | F1 | 155.2° | 60.0° |
| NAJ | CAG | CAH | CAI | 84.5° | 60.0° |
| NAJ | CAG | CAH | F2 | 35.9° | 180.0° |
| CAG | NAJ | HAJ1 | HAJ2 | 120.0° | 123.9° |
| CAG | CAH | CAI | OAM | 15.3° | 25.0° |
| CAG | CAH | F1 | CAI | 122.0° | 120.0° |
| CAG | CAH | F1 | F2 | 119.0° | 120.0° |
| CAG | CAH | CAI | F2 | 120.4° | 120.0° |
| CAG | CAH | CAI | OAL | 164.0° | 155.0° |
| CAH | CAG | NAJ | HAJ1 | 13.1° | 176.1° |
| CAH | CAG | NAJ | HAJ2 | 107.0° | 60.0° |
| OAM | CAI | CAH | F1 | 135.7° | 95.0° |
| OAM | CAI | CAH | OAL | 179.4° | 180.0° |
| OAM | CAI | CAH | F2 | 105.1° | 145.0° |
| OAM | CAI | OAL | HOAL | 0.0° | 0.0° |
| F1 | CAH | CAI | F2 | 119.2° | 120.0° |
| F1 | CAH | CAI | OAL | 43.7° | 85.0° |
| F1 | CAH | CAG | HAG | 85.0° | 180.0° |
| CAI | CAH | CAG | HAG | 35.3° | 60.0° |
| CAH | CAI | OAL | HOAL | 179.3° | 180.0° |
| F2 | CAH | CAI | OAL | 75.6° | 35.1° |
| F2 | CAH | CAG | HAG | 155.7° | 60.0° |
| HAB | CAB | CAD | HAD | 0.0° | 0.0° |
| HAF | CAF | CAC | HAC | 0.2° | 0.2° |
| HAG | CAG | NAJ | HAJ1 | 132.4° | 56.1° |
| HAG | CAG | NAJ | HAJ2 | 12.4° | 180.0° |
