AX7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAF | CAI | sing | 1.39Å | 1.34Å | Aromatic |
| NAF | CAH | sing | 1.36Å | 1.34Å | Aromatic |
| CAI | CAD | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAJ | sing | 1.40Å | 1.40Å | Aromatic |
| CAD | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.41Å | Aromatic |
| CAE | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | NAG | sing | 1.36Å | 1.33Å | Aromatic |
| NAG | CAH | doub | 1.31Å | 1.33Å | Aromatic |
| CAH | NAA | sing | 1.38Å | 1.34Å | |
| NAF | HNAF | sing | 0.97Å | 1.00Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | NAF | CAH | 107.0° | 107.2° |
| NAF | CAI | CAD | 132.3° | 133.9° |
| NAF | CAI | CAJ | 107.2° | 106.2° |
| CAI | NAF | HNAF | 126.5° | 126.3° |
| NAF | CAH | NAG | 110.8° | 109.9° |
| NAF | CAH | NAA | 124.8° | 125.1° |
| CAH | NAF | HNAF | 126.5° | 126.4° |
| CAD | CAI | CAJ | 120.5° | 120.0° |
| CAI | CAD | CAB | 119.8° | 119.9° |
| CAI | CAD | HAD | 120.1° | 120.1° |
| CAI | CAJ | CAE | 119.8° | 119.5° |
| CAI | CAJ | NAG | 107.8° | 107.1° |
| CAD | CAB | CAC | 119.4° | 120.4° |
| CAB | CAD | HAD | 120.1° | 120.1° |
| CAD | CAB | HAB | 120.3° | 119.8° |
| CAB | CAC | CAE | 120.7° | 120.5° |
| CAC | CAB | HAB | 120.3° | 119.8° |
| CAB | CAC | HAC | 119.7° | 119.7° |
| CAC | CAE | CAJ | 119.8° | 119.8° |
| CAE | CAC | HAC | 119.6° | 119.8° |
| CAC | CAE | HAE | 120.1° | 120.1° |
| CAE | CAJ | NAG | 132.5° | 133.4° |
| CAJ | CAE | HAE | 120.1° | 120.2° |
| CAJ | NAG | CAH | 107.2° | 109.6° |
| NAG | CAH | NAA | 124.4° | 125.0° |
| CAH | NAA | HNAA | 109.5° | 120.0° |
| CAH | NAA | HNAB | 109.5° | 120.0° |
| HNAA | NAA | HNAB | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | NAF | CAH | HNAF | 180.0° | 179.8° |
| NAF | CAI | CAD | CAJ | 179.5° | 180.0° |
| NAF | CAI | CAD | CAB | 179.7° | 180.0° |
| NAF | CAI | CAJ | CAE | 179.9° | 180.0° |
| NAF | CAI | CAJ | NAG | 0.2° | 0.0° |
| CAI | NAF | CAH | NAG | 0.6° | 0.0° |
| CAI | NAF | CAH | NAA | 179.6° | 180.0° |
| NAF | CAI | CAD | HAD | 0.3° | 0.1° |
| CAH | NAF | CAI | CAD | 179.3° | 180.0° |
| CAH | NAF | CAI | CAJ | 0.3° | 0.0° |
| NAF | CAH | NAG | CAJ | 0.7° | 0.0° |
| NAF | CAH | NAG | NAA | 179.0° | 180.0° |
| NAF | CAH | NAA | HNAA | 115.8° | 0.1° |
| NAF | CAH | NAA | HNAB | 4.3° | 180.0° |
| CAI | CAD | CAB | HAD | 180.0° | 179.9° |
| CAI | CAD | CAB | CAC | 0.1° | 0.0° |
| CAD | CAI | CAJ | CAE | 0.5° | 0.0° |
| CAD | CAI | CAJ | NAG | 179.8° | 180.0° |
| CAD | CAI | NAF | HNAF | 0.7° | 0.2° |
| CAI | CAD | CAB | HAB | 179.9° | 180.0° |
| CAJ | CAI | CAD | CAB | 0.2° | 0.0° |
| CAI | CAJ | CAE | CAC | 0.6° | 0.0° |
| CAI | CAJ | CAE | NAG | 179.7° | 180.0° |
| CAI | CAJ | NAG | CAH | 0.5° | 0.0° |
| CAJ | CAI | NAF | HNAF | 179.7° | 179.8° |
| CAJ | CAI | CAD | HAD | 179.8° | 179.9° |
| CAI | CAJ | CAE | HAE | 179.4° | 179.9° |
| CAD | CAB | CAC | HAB | 180.0° | 180.0° |
| CAD | CAB | CAC | CAE | 0.2° | 0.0° |
| CAD | CAB | CAC | HAC | 179.8° | 179.9° |
| CAB | CAC | CAE | HAC | 180.0° | 179.9° |
| CAB | CAC | CAE | CAJ | 0.4° | 0.0° |
| CAC | CAB | CAD | HAD | 179.9° | 179.9° |
| CAB | CAC | CAE | HAE | 179.5° | 179.9° |
| CAC | CAE | CAJ | HAE | 180.0° | 179.9° |
| CAC | CAE | CAJ | NAG | 179.7° | 180.0° |
| CAE | CAC | CAB | HAB | 179.8° | 180.0° |
| CAE | CAJ | NAG | CAH | 179.8° | 180.0° |
| CAJ | CAE | CAC | HAC | 179.6° | 179.9° |
| CAJ | NAG | CAH | NAA | 179.7° | 180.0° |
| NAG | CAJ | CAE | HAE | 0.3° | 0.1° |
| NAG | CAH | NAF | HNAF | 179.4° | 179.8° |
| NAG | CAH | NAA | HNAA | 65.4° | 179.9° |
| NAG | CAH | NAA | HNAB | 174.6° | 0.0° |
| NAA | CAH | NAF | HNAF | 0.4° | 0.2° |
| CAH | NAA | HNAA | HNAB | 120.0° | 179.9° |
| HAD | CAD | CAB | HAB | 0.1° | 0.1° |
| HAB | CAB | CAC | HAC | 0.2° | 0.1° |
| HAC | CAC | CAE | HAE | 0.4° | 0.1° |
