NK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAH | CAD | doub | 1.21Å | 1.21Å | |
| CAD | CAA | sing | 1.47Å | 1.53Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAA | CAC | sing | 1.40Å | 1.38Å | Aromatic |
| CAA | CAB | doub | 1.41Å | 1.39Å | Aromatic |
| CAC | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAG | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAE | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAB | OAF | sing | 1.36Å | 1.35Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAH | CAD | CAA | 122.0° | 120.0° |
| OAH | CAD | HAD | 119.0° | 120.0° |
| CAA | CAD | HAD | 119.0° | 120.0° |
| CAD | CAA | CAC | 120.1° | 120.3° |
| CAD | CAA | CAB | 119.9° | 120.2° |
| CAC | CAA | CAB | 120.0° | 119.5° |
| CAA | CAC | CAG | 120.5° | 119.9° |
| CAA | CAC | HAC | 119.8° | 120.1° |
| CAA | CAB | CAE | 119.7° | 119.7° |
| CAA | CAB | OAF | 120.3° | 120.1° |
| CAG | CAC | HAC | 119.8° | 120.0° |
| CAC | CAG | CAI | 119.7° | 120.3° |
| CAC | CAG | HAG | 120.1° | 119.9° |
| CAI | CAG | HAG | 120.1° | 119.8° |
| CAG | CAI | CAE | 119.9° | 120.4° |
| CAG | CAI | HAI | 120.0° | 119.8° |
| CAE | CAI | HAI | 120.1° | 119.8° |
| CAI | CAE | CAB | 120.3° | 120.1° |
| CAI | CAE | HAE | 119.9° | 119.9° |
| CAB | CAE | HAE | 119.9° | 120.0° |
| CAE | CAB | OAF | 120.0° | 120.2° |
| CAB | OAF | HAF | 109.5° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAH | CAD | CAA | HAD | 180.0° | 179.9° |
| OAH | CAD | CAA | CAC | 25.5° | 0.1° |
| OAH | CAD | CAA | CAB | 154.6° | 179.5° |
| CAD | CAA | CAC | CAB | 179.9° | 179.4° |
| CAD | CAA | CAC | CAG | 179.8° | 180.0° |
| CAD | CAA | CAC | HAC | 0.2° | 0.3° |
| CAD | CAA | CAB | CAE | 179.8° | 180.0° |
| CAD | CAA | CAB | OAF | 0.2° | 0.4° |
| HAD | CAD | CAA | CAC | 154.5° | 180.0° |
| HAD | CAD | CAA | CAB | 25.4° | 0.6° |
| CAA | CAC | CAG | HAC | 180.0° | 179.7° |
| CAA | CAC | CAG | CAI | 0.0° | 0.3° |
| CAA | CAC | CAG | HAG | 180.0° | 179.8° |
| CAC | CAA | CAB | CAE | 0.1° | 0.6° |
| CAC | CAA | CAB | OAF | 179.9° | 179.7° |
| CAB | CAA | CAC | CAG | 0.1° | 0.6° |
| CAB | CAA | CAC | HAC | 179.9° | 179.7° |
| CAA | CAB | CAE | CAI | 0.1° | 0.2° |
| CAA | CAB | CAE | OAF | 180.0° | 179.7° |
| CAA | CAB | CAE | HAE | 179.9° | 179.7° |
| CAA | CAB | OAF | HAF | 106.6° | 90.3° |
| CAC | CAG | CAI | HAG | 180.0° | 179.9° |
| CAC | CAG | CAI | CAE | 0.0° | 0.0° |
| CAC | CAG | CAI | HAI | 180.0° | 179.9° |
| HAC | CAC | CAG | CAI | 180.0° | 180.0° |
| HAC | CAC | CAG | HAG | 0.0° | 0.1° |
| CAG | CAI | CAE | HAI | 180.0° | 179.9° |
| CAG | CAI | CAE | CAB | 0.0° | 0.0° |
| CAG | CAI | CAE | HAE | 180.0° | 180.0° |
| HAG | CAG | CAI | CAE | 180.0° | 179.9° |
| HAG | CAG | CAI | HAI | 0.0° | 0.0° |
| CAI | CAE | CAB | HAE | 180.0° | 180.0° |
| CAI | CAE | CAB | OAF | 180.0° | 179.9° |
| HAI | CAI | CAE | CAB | 180.0° | 180.0° |
| HAI | CAI | CAE | HAE | 0.0° | 0.1° |
| CAE | CAB | OAF | HAF | 73.4° | 90.0° |
| HAE | CAE | CAB | OAF | 0.0° | 0.0° |
