260
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BRAC | CAG | sing | 1.97Å | 1.95Å | |
| CAG | CAJ | sing | 1.51Å | 1.54Å | |
| CAJ | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | FAA | sing | 1.35Å | 1.34Å | |
| CAH | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | FAB | sing | 1.35Å | 1.34Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BRAC | CAG | CAJ | 112.8° | 109.5° |
| BRAC | CAG | HAG1 | 108.4° | 109.5° |
| BRAC | CAG | HAG2 | 107.7° | 109.5° |
| CAG | CAJ | CAH | 121.8° | 120.0° |
| CAG | CAJ | CAI | 121.3° | 120.0° |
| CAJ | CAG | HAG1 | 108.4° | 109.4° |
| CAJ | CAG | HAG2 | 107.6° | 109.5° |
| CAH | CAJ | CAI | 117.0° | 120.0° |
| CAJ | CAH | FAA | 119.4° | 120.1° |
| CAJ | CAH | CAE | 121.7° | 120.0° |
| CAJ | CAI | CAF | 121.9° | 120.0° |
| CAJ | CAI | FAB | 119.2° | 120.0° |
| FAA | CAH | CAE | 118.8° | 120.0° |
| CAH | CAE | CAD | 120.1° | 120.0° |
| CAH | CAE | HAE | 120.0° | 120.0° |
| CAE | CAD | CAF | 119.3° | 120.1° |
| CAD | CAE | HAE | 119.9° | 120.0° |
| CAE | CAD | HAD | 120.4° | 119.9° |
| CAD | CAF | CAI | 120.1° | 120.0° |
| CAF | CAD | HAD | 120.3° | 120.0° |
| CAD | CAF | HAF | 120.0° | 120.0° |
| CAF | CAI | FAB | 119.0° | 120.0° |
| CAI | CAF | HAF | 120.0° | 120.0° |
| HAG1 | CAG | HAG2 | 112.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BRAC | CAG | CAJ | HAG1 | 120.0° | 120.0° |
| BRAC | CAG | CAJ | HAG2 | 118.6° | 120.0° |
| BRAC | CAG | CAJ | CAH | 75.8° | 90.0° |
| BRAC | CAG | CAJ | CAI | 104.8° | 90.2° |
| BRAC | CAG | HAG1 | HAG2 | 118.7° | 120.0° |
| CAG | CAJ | CAH | CAI | 179.5° | 179.8° |
| CAG | CAJ | CAH | FAA | 0.2° | 0.1° |
| CAG | CAJ | CAH | CAE | 179.7° | 180.0° |
| CAG | CAJ | CAI | CAF | 179.9° | 179.8° |
| CAG | CAJ | CAI | FAB | 0.4° | 0.1° |
| CAJ | CAG | HAG1 | HAG2 | 118.7° | 120.0° |
| CAJ | CAH | FAA | CAE | 180.0° | 179.9° |
| CAJ | CAH | CAE | CAD | 0.1° | 0.1° |
| CAH | CAJ | CAI | CAF | 0.6° | 0.4° |
| CAH | CAJ | CAI | FAB | 179.9° | 179.8° |
| CAH | CAJ | CAG | HAG1 | 164.2° | 30.1° |
| CAH | CAJ | CAG | HAG2 | 42.8° | 150.0° |
| CAJ | CAH | CAE | HAE | 179.9° | 180.0° |
| CAI | CAJ | CAH | FAA | 179.7° | 179.7° |
| CAI | CAJ | CAH | CAE | 0.3° | 0.2° |
| CAJ | CAI | CAF | CAD | 0.5° | 0.4° |
| CAJ | CAI | CAF | FAB | 179.5° | 179.8° |
| CAI | CAJ | CAG | HAG1 | 15.2° | 149.8° |
| CAI | CAJ | CAG | HAG2 | 136.6° | 29.8° |
| CAJ | CAI | CAF | HAF | 179.5° | 179.8° |
| FAA | CAH | CAE | CAD | 179.9° | 180.0° |
| FAA | CAH | CAE | HAE | 0.1° | 0.1° |
| CAH | CAE | CAD | HAE | 180.0° | 179.9° |
| CAH | CAE | CAD | CAF | 0.2° | 0.1° |
| CAH | CAE | CAD | HAD | 179.8° | 179.9° |
| CAE | CAD | CAF | HAD | 180.0° | 180.0° |
| CAE | CAD | CAF | CAI | 0.1° | 0.2° |
| CAE | CAD | CAF | HAF | 179.9° | 180.0° |
| CAD | CAF | CAI | HAF | 180.0° | 179.8° |
| CAD | CAF | CAI | FAB | 180.0° | 179.8° |
| CAF | CAD | CAE | HAE | 179.8° | 180.0° |
| CAI | CAF | CAD | HAD | 179.9° | 179.8° |
| FAB | CAI | CAF | HAF | 0.0° | 0.1° |
| HAE | CAE | CAD | HAD | 0.2° | 0.0° |
| HAD | CAD | CAF | HAF | 0.1° | 0.0° |
