NS8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAG | doub | 1.38Å | 1.36Å | Aromatic |
| CAI | CAJ | sing | 1.40Å | 1.35Å | Aromatic |
| OAA | NAK | sing | 1.22Å | 1.21Å | |
| CAG | CAE | sing | 1.38Å | 1.34Å | Aromatic |
| CAC | CAJ | sing | 1.48Å | 1.45Å | |
| CAC | CAD | doub | 1.33Å | 1.31Å | |
| CAJ | CAH | doub | 1.40Å | 1.37Å | Aromatic |
| NAK | CAD | sing | 1.48Å | 1.39Å | |
| NAK | OAB | doub | 1.22Å | 1.19Å | |
| CAE | CAF | doub | 1.38Å | 1.36Å | Aromatic |
| CAH | CAF | sing | 1.38Å | 1.36Å | Aromatic |
| CAD | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAI | CAJ | 118.8° | 119.9° |
| CAI | CAG | CAE | 121.2° | 120.2° |
| CAI | CAG | H6 | 119.4° | 119.9° |
| CAG | CAI | H7 | 120.6° | 120.1° |
| CAI | CAJ | CAC | 120.4° | 120.2° |
| CAI | CAJ | CAH | 121.2° | 119.7° |
| CAJ | CAI | H7 | 120.6° | 120.0° |
| OAA | NAK | CAD | 121.7° | 120.0° |
| OAA | NAK | OAB | 118.6° | 120.0° |
| CAG | CAE | CAF | 119.8° | 120.3° |
| CAG | CAE | H5 | 120.1° | 119.9° |
| CAE | CAG | H6 | 119.4° | 119.9° |
| CAJ | CAC | CAD | 120.1° | 119.9° |
| CAC | CAJ | CAH | 118.3° | 120.1° |
| CAJ | CAC | H2 | 120.0° | 120.0° |
| CAC | CAD | NAK | 118.9° | 120.0° |
| CAC | CAD | H1 | 120.5° | 120.1° |
| CAD | CAC | H2 | 119.9° | 120.1° |
| CAJ | CAH | CAF | 118.7° | 119.8° |
| CAJ | CAH | H3 | 120.7° | 120.1° |
| CAD | NAK | OAB | 119.5° | 120.0° |
| NAK | CAD | H1 | 120.6° | 120.0° |
| CAE | CAF | CAH | 120.3° | 120.1° |
| CAE | CAF | H4 | 119.9° | 120.0° |
| CAF | CAE | H5 | 120.1° | 119.9° |
| CAF | CAH | H3 | 120.6° | 120.1° |
| CAH | CAF | H4 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAI | CAJ | H7 | 180.0° | 179.4° |
| CAI | CAG | CAE | H6 | 180.0° | 179.7° |
| CAG | CAI | CAJ | CAC | 178.9° | 179.8° |
| CAG | CAI | CAJ | CAH | 1.7° | 0.6° |
| CAI | CAG | CAE | CAF | 0.0° | 0.3° |
| CAI | CAG | CAE | H5 | 180.0° | 179.8° |
| CAJ | CAI | CAG | CAE | 0.7° | 0.6° |
| CAI | CAJ | CAC | CAH | 177.3° | 179.7° |
| CAI | CAJ | CAC | CAD | 146.2° | 0.3° |
| CAI | CAJ | CAH | CAF | 1.8° | 0.3° |
| CAI | CAJ | CAC | H2 | 33.8° | 179.7° |
| CAI | CAJ | CAH | H3 | 178.2° | 179.7° |
| CAJ | CAI | CAG | H6 | 179.3° | 179.7° |
| OAA | NAK | CAD | CAC | 22.5° | 0.1° |
| OAA | NAK | CAD | OAB | 174.5° | 179.8° |
| OAA | NAK | CAD | H1 | 157.5° | 180.0° |
| CAG | CAE | CAF | H5 | 180.0° | 179.9° |
| CAG | CAE | CAF | CAH | 0.2° | 0.0° |
| CAG | CAE | CAF | H4 | 179.8° | 180.0° |
| CAE | CAG | CAI | H7 | 179.3° | 180.0° |
| CAJ | CAC | CAD | H2 | 180.0° | 179.9° |
| CAJ | CAC | CAD | NAK | 173.2° | 180.0° |
| CAC | CAJ | CAH | CAF | 179.1° | 180.0° |
| CAJ | CAC | CAD | H1 | 6.8° | 0.1° |
| CAC | CAJ | CAH | H3 | 0.9° | 0.0° |
| CAC | CAJ | CAI | H7 | 1.1° | 0.3° |
| CAD | CAC | CAJ | CAH | 36.5° | 179.9° |
| CAC | CAD | NAK | H1 | 180.0° | 179.9° |
| CAC | CAD | NAK | OAB | 163.0° | 179.7° |
| CAJ | CAH | CAF | CAE | 1.1° | 0.0° |
| CAJ | CAH | CAF | H3 | 180.0° | 180.0° |
| CAH | CAJ | CAC | H2 | 143.5° | 0.0° |
| CAJ | CAH | CAF | H4 | 178.9° | 180.0° |
| CAH | CAJ | CAI | H7 | 178.3° | 180.0° |
| NAK | CAD | CAC | H2 | 6.9° | 0.1° |
| OAB | NAK | CAD | H1 | 17.0° | 0.2° |
| CAE | CAF | CAH | H4 | 180.0° | 180.0° |
| CAE | CAF | CAH | H3 | 178.9° | 180.0° |
| CAF | CAE | CAG | H6 | 180.0° | 180.0° |
| CAH | CAF | CAE | H5 | 179.8° | 179.9° |
| H1 | CAD | CAC | H2 | 173.2° | 180.0° |
| H3 | CAH | CAF | H4 | 1.1° | 0.0° |
| H4 | CAF | CAE | H5 | 0.1° | 0.1° |
| H5 | CAE | CAG | H6 | 0.0° | 0.1° |
| H6 | CAG | CAI | H7 | 0.8° | 0.3° |
