ZZS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAG | sing | 1.38Å | 1.33Å | |
| CAG | NAF | sing | 1.33Å | 1.34Å | Aromatic |
| CAG | NAD | doub | 1.33Å | 1.34Å | Aromatic |
| NAF | CAH | doub | 1.33Å | 1.35Å | Aromatic |
| NAD | CAC | sing | 1.32Å | 1.33Å | Aromatic |
| CAC | NAE | doub | 1.32Å | 1.33Å | Aromatic |
| NAE | CAH | sing | 1.33Å | 1.35Å | Aromatic |
| CAH | NAB | sing | 1.38Å | 1.35Å | |
| NAA | HAA1 | sing | 0.97Å | 1.00Å | |
| NAA | HAA2 | sing | 0.97Å | 1.00Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| NAB | HAB1 | sing | 0.97Å | 1.00Å | |
| NAB | HAB2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAG | NAF | 119.7° | 120.0° |
| NAA | CAG | NAD | 120.5° | 120.1° |
| CAG | NAA | HAA1 | 109.5° | 120.0° |
| CAG | NAA | HAA2 | 109.4° | 120.0° |
| NAF | CAG | NAD | 119.8° | 119.9° |
| CAG | NAF | CAH | 119.9° | 119.8° |
| CAG | NAD | CAC | 120.2° | 120.1° |
| NAF | CAH | NAE | 119.5° | 119.9° |
| NAF | CAH | NAB | 120.1° | 120.0° |
| NAD | CAC | NAE | 120.7° | 120.2° |
| NAD | CAC | HAC | 119.6° | 119.9° |
| CAC | NAE | CAH | 119.8° | 120.1° |
| NAE | CAC | HAC | 119.6° | 119.9° |
| NAE | CAH | NAB | 120.4° | 120.1° |
| CAH | NAB | HAB1 | 109.5° | 120.0° |
| CAH | NAB | HAB2 | 109.4° | 120.0° |
| HAA1 | NAA | HAA2 | 109.5° | 120.0° |
| HAB1 | NAB | HAB2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAG | NAF | NAD | 179.1° | 179.8° |
| NAA | CAG | NAF | CAH | 179.8° | 180.0° |
| NAA | CAG | NAD | CAC | 179.6° | 180.0° |
| CAG | NAA | HAA1 | HAA2 | 120.0° | 179.7° |
| NAF | CAG | NAD | CAC | 0.5° | 0.2° |
| CAG | NAF | CAH | NAE | 0.8° | 0.0° |
| CAG | NAF | CAH | NAB | 180.0° | 180.0° |
| NAF | CAG | NAA | HAA1 | 168.0° | 0.0° |
| NAF | CAG | NAA | HAA2 | 48.0° | 179.7° |
| NAD | CAG | NAF | CAH | 0.7° | 0.2° |
| CAG | NAD | CAC | NAE | 0.3° | 0.0° |
| NAD | CAG | NAA | HAA1 | 12.9° | 179.7° |
| NAD | CAG | NAA | HAA2 | 132.9° | 0.5° |
| CAG | NAD | CAC | HAC | 179.7° | 180.0° |
| NAF | CAH | NAE | CAC | 0.6° | 0.2° |
| NAF | CAH | NAE | NAB | 179.3° | 179.9° |
| NAF | CAH | NAB | HAB1 | 20.5° | 0.0° |
| NAF | CAH | NAB | HAB2 | 99.5° | 179.9° |
| NAD | CAC | NAE | HAC | 180.0° | 179.9° |
| NAD | CAC | NAE | CAH | 0.3° | 0.2° |
| CAC | NAE | CAH | NAB | 179.8° | 179.8° |
| CAH | NAE | CAC | HAC | 179.7° | 179.7° |
| NAE | CAH | NAB | HAB1 | 158.8° | 180.0° |
| NAE | CAH | NAB | HAB2 | 81.2° | 0.0° |
| CAH | NAB | HAB1 | HAB2 | 120.0° | 180.0° |
