SNU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAD | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| NAA | CAJ | sing | 1.40Å | 1.33Å | |
| CAJ | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| CAE | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAK | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAK | NAL | sing | 1.40Å | 1.34Å | |
| CAI | NAL | sing | 1.37Å | 1.34Å | Aromatic |
| NAL | CAH | sing | 1.37Å | 1.33Å | Aromatic |
| CAB | CAH | doub | 1.35Å | 1.33Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAC | CAB | sing | 1.41Å | 1.34Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAI | CAC | doub | 1.35Å | 1.33Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAF | CAK | 120.5° | 120.0° |
| CAD | CAF | HAF | 119.8° | 120.0° |
| CAF | CAD | CAJ | 119.6° | 120.0° |
| CAF | CAD | HAD | 120.2° | 120.0° |
| CAK | CAF | HAF | 119.7° | 120.0° |
| CAF | CAK | CAG | 119.7° | 120.0° |
| CAF | CAK | NAL | 119.1° | 120.0° |
| CAJ | CAD | HAD | 120.2° | 120.0° |
| CAD | CAJ | NAA | 119.6° | 120.0° |
| CAD | CAJ | CAE | 120.5° | 120.0° |
| NAA | CAJ | CAE | 119.9° | 120.0° |
| CAJ | NAA | HNAA | 109.5° | 120.0° |
| CAJ | NAA | HNAB | 109.5° | 120.0° |
| CAJ | CAE | CAG | 119.8° | 120.0° |
| CAJ | CAE | HAE | 120.1° | 120.0° |
| HNAA | NAA | HNAB | 109.4° | 120.0° |
| CAG | CAE | HAE | 120.1° | 120.0° |
| CAE | CAG | CAK | 119.9° | 120.0° |
| CAE | CAG | HAG | 120.0° | 120.0° |
| CAK | CAG | HAG | 120.1° | 120.0° |
| CAG | CAK | NAL | 121.2° | 120.0° |
| CAK | NAL | CAI | 125.7° | 125.7° |
| CAK | NAL | CAH | 126.0° | 125.7° |
| CAI | NAL | CAH | 108.2° | 108.7° |
| NAL | CAI | CAC | 108.3° | 108.2° |
| NAL | CAI | HAI | 125.9° | 125.9° |
| NAL | CAH | CAB | 107.9° | 108.2° |
| NAL | CAH | HAH | 126.1° | 125.9° |
| CAB | CAH | HAH | 126.0° | 125.9° |
| CAH | CAB | CAC | 108.3° | 107.4° |
| CAH | CAB | HAB | 125.9° | 126.3° |
| CAC | CAB | HAB | 125.9° | 126.3° |
| CAB | CAC | CAI | 107.3° | 107.4° |
| CAB | CAC | HAC | 126.3° | 126.3° |
| CAI | CAC | HAC | 126.3° | 126.3° |
| CAC | CAI | HAI | 125.8° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAF | CAK | HAF | 180.0° | 179.7° |
| CAF | CAD | CAJ | HAD | 180.0° | 180.0° |
| CAF | CAD | CAJ | NAA | 179.8° | 180.0° |
| CAF | CAD | CAJ | CAE | 0.3° | 0.0° |
| CAD | CAF | CAK | CAG | 0.7° | 0.0° |
| CAD | CAF | CAK | NAL | 179.4° | 179.8° |
| CAK | CAF | CAD | CAJ | 0.8° | 0.0° |
| CAK | CAF | CAD | HAD | 179.2° | 180.0° |
| CAF | CAK | CAG | CAE | 0.0° | 0.1° |
| CAF | CAK | CAG | NAL | 178.7° | 179.8° |
| CAF | CAK | CAG | HAG | 180.0° | 180.0° |
| CAF | CAK | NAL | CAI | 31.0° | 0.4° |
| CAF | CAK | NAL | CAH | 146.3° | 180.0° |
| HAF | CAF | CAD | CAJ | 179.1° | 179.7° |
| HAF | CAF | CAD | HAD | 0.9° | 0.3° |
| HAF | CAF | CAK | CAG | 179.3° | 179.7° |
| HAF | CAF | CAK | NAL | 0.6° | 0.1° |
| CAD | CAJ | NAA | CAE | 179.9° | 180.0° |
| CAD | CAJ | NAA | HNAA | 180.0° | 0.0° |
| CAD | CAJ | NAA | HNAB | 60.0° | 179.9° |
| CAD | CAJ | CAE | CAG | 0.3° | 0.0° |
| CAD | CAJ | CAE | HAE | 179.7° | 179.9° |
| HAD | CAD | CAJ | NAA | 0.2° | 0.0° |
| HAD | CAD | CAJ | CAE | 179.7° | 180.0° |
| CAJ | NAA | HNAA | HNAB | 120.0° | 179.9° |
| NAA | CAJ | CAE | CAG | 179.5° | 180.0° |
| NAA | CAJ | CAE | HAE | 0.4° | 0.1° |
| CAE | CAJ | NAA | HNAA | 0.1° | 180.0° |
| CAE | CAJ | NAA | HNAB | 119.9° | 0.1° |
| CAJ | CAE | CAG | HAE | 180.0° | 179.9° |
| CAJ | CAE | CAG | CAK | 0.5° | 0.1° |
| CAJ | CAE | CAG | HAG | 179.5° | 180.0° |
| CAE | CAG | CAK | HAG | 180.0° | 180.0° |
| CAE | CAG | CAK | NAL | 178.7° | 179.7° |
| HAE | CAE | CAG | CAK | 179.5° | 180.0° |
| HAE | CAE | CAG | HAG | 0.5° | 0.1° |
| CAG | CAK | NAL | CAI | 150.3° | 179.5° |
| CAG | CAK | NAL | CAH | 32.4° | 0.2° |
| HAG | CAG | CAK | NAL | 1.3° | 0.2° |
| CAK | NAL | CAI | CAH | 177.7° | 179.7° |
| CAK | NAL | CAH | CAB | 177.5° | 179.9° |
| CAK | NAL | CAH | HAH | 2.5° | 0.1° |
| CAK | NAL | CAI | CAC | 178.3° | 179.9° |
| CAK | NAL | CAI | HAI | 1.7° | 0.0° |
| CAI | NAL | CAH | CAB | 0.1° | 0.2° |
| CAI | NAL | CAH | HAH | 179.8° | 179.8° |
| NAL | CAI | CAC | CAB | 1.1° | 0.4° |
| NAL | CAI | CAC | HAI | 180.0° | 179.9° |
| NAL | CAI | CAC | HAC | 178.9° | 179.8° |
| NAL | CAH | CAB | HAH | 180.0° | 180.0° |
| NAL | CAH | CAB | CAC | 0.8° | 0.0° |
| NAL | CAH | CAB | HAB | 179.2° | 180.0° |
| CAH | NAL | CAI | CAC | 0.6° | 0.4° |
| CAH | NAL | CAI | HAI | 179.4° | 179.7° |
| CAH | CAB | CAC | HAB | 180.0° | 179.9° |
| CAH | CAB | CAC | CAI | 1.2° | 0.2° |
| CAH | CAB | CAC | HAC | 178.8° | 179.9° |
| HAH | CAH | CAB | CAC | 179.2° | 180.0° |
| HAH | CAH | CAB | HAB | 0.8° | 0.1° |
| CAB | CAC | CAI | HAC | 180.0° | 179.8° |
| CAB | CAC | CAI | HAI | 178.9° | 179.7° |
| HAB | CAB | CAC | CAI | 178.8° | 179.8° |
| HAB | CAB | CAC | HAC | 1.2° | 0.0° |
| HAC | CAC | CAI | HAI | 1.1° | 0.1° |
