ZZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAC | NAF | sing | 1.40Å | 1.25Å | Aromatic |
| NAC | CAH | doub | 1.31Å | 1.34Å | Aromatic |
| NAF | CAI | sing | 1.37Å | 1.34Å | Aromatic |
| CAI | NAD | sing | 1.34Å | 1.34Å | Aromatic |
| CAI | NAJ | doub | 1.33Å | 1.35Å | Aromatic |
| NAD | CAG | doub | 1.31Å | 1.33Å | Aromatic |
| CAG | NAA | sing | 1.38Å | 1.34Å | |
| CAG | NAE | sing | 1.36Å | 1.35Å | Aromatic |
| NAE | NAJ | sing | 1.40Å | 1.25Å | Aromatic |
| NAJ | CAH | sing | 1.34Å | 1.33Å | Aromatic |
| CAH | NAB | sing | 1.40Å | 1.33Å | |
| NAF | HAF | sing | 0.97Å | 1.00Å | |
| NAA | HAA1 | sing | 0.97Å | 1.00Å | |
| NAA | HAA2 | sing | 0.97Å | 1.00Å | |
| NAE | HAE | sing | 0.97Å | 1.00Å | |
| 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) |
| NAF | NAC | CAH | 109.0° | 107.3° |
| NAC | NAF | CAI | 109.2° | 106.3° |
| NAC | NAF | HAF | 125.4° | 126.8° |
| NAC | CAH | NAJ | 108.9° | 109.4° |
| NAC | CAH | NAB | 125.0° | 125.2° |
| NAF | CAI | NAD | 143.6° | 143.7° |
| NAF | CAI | NAJ | 107.8° | 107.5° |
| CAI | NAF | HAF | 125.4° | 126.9° |
| NAD | CAI | NAJ | 108.5° | 108.8° |
| CAI | NAD | CAG | 104.6° | 109.8° |
| CAI | NAJ | NAE | 109.6° | 106.8° |
| CAI | NAJ | CAH | 105.1° | 109.5° |
| NAD | CAG | NAA | 123.4° | 125.9° |
| NAD | CAG | NAE | 109.9° | 108.2° |
| NAA | CAG | NAE | 126.7° | 125.9° |
| CAG | NAA | HAA1 | 109.5° | 120.0° |
| CAG | NAA | HAA2 | 109.5° | 120.0° |
| CAG | NAE | NAJ | 107.4° | 106.5° |
| CAG | NAE | HAE | 126.3° | 126.8° |
| NAE | NAJ | CAH | 145.3° | 143.7° |
| NAJ | NAE | HAE | 126.3° | 126.7° |
| NAJ | CAH | NAB | 126.1° | 125.3° |
| CAH | NAB | HAB1 | 109.0° | 120.1° |
| CAH | NAB | HAB2 | 125.5° | 120.0° |
| HAA1 | NAA | HAA2 | 109.5° | 120.0° |
| HAB1 | NAB | HAB2 | 125.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAC | NAF | CAI | HAF | 180.0° | 180.0° |
| NAC | NAF | CAI | NAD | 179.9° | 180.0° |
| NAC | NAF | CAI | NAJ | 1.9° | 0.0° |
| NAF | NAC | CAH | NAJ | 0.3° | 0.0° |
| NAF | NAC | CAH | NAB | 177.3° | 180.0° |
| CAH | NAC | NAF | CAI | 1.4° | 0.0° |
| NAC | CAH | NAJ | CAI | 0.9° | 0.0° |
| NAC | CAH | NAJ | NAE | 179.6° | 180.0° |
| NAC | CAH | NAJ | NAB | 177.5° | 180.0° |
| CAH | NAC | NAF | HAF | 178.6° | 180.0° |
| NAC | CAH | NAB | HAB1 | 1.4° | 0.1° |
| NAC | CAH | NAB | HAB2 | 178.6° | 180.0° |
| NAF | CAI | NAD | NAJ | 178.0° | 180.0° |
| NAF | CAI | NAD | CAG | 176.6° | 180.0° |
| NAF | CAI | NAJ | NAE | 178.6° | 180.0° |
| NAF | CAI | NAJ | CAH | 1.7° | 0.0° |
| CAI | NAD | CAG | NAA | 179.5° | 180.0° |
| CAI | NAD | CAG | NAE | 2.1° | 0.0° |
| NAD | CAI | NAJ | NAE | 0.1° | 0.0° |
| NAD | CAI | NAJ | CAH | 179.6° | 180.0° |
| NAD | CAI | NAF | HAF | 0.1° | 0.0° |
| NAJ | CAI | NAD | CAG | 1.4° | 0.0° |
| CAI | NAJ | NAE | CAG | 1.2° | 0.0° |
| CAI | NAJ | NAE | CAH | 179.5° | 180.0° |
| CAI | NAJ | CAH | NAB | 178.4° | 180.0° |
| NAJ | CAI | NAF | HAF | 178.1° | 180.0° |
| CAI | NAJ | NAE | HAE | 178.9° | 179.9° |
| NAD | CAG | NAA | NAE | 178.1° | 180.0° |
| NAD | CAG | NAE | NAJ | 2.1° | 0.0° |
| NAD | CAG | NAA | HAA1 | 156.1° | 0.0° |
| NAD | CAG | NAA | HAA2 | 83.9° | 180.0° |
| NAD | CAG | NAE | HAE | 177.9° | 179.9° |
| NAA | CAG | NAE | NAJ | 179.6° | 180.0° |
| CAG | NAA | HAA1 | HAA2 | 120.0° | 180.0° |
| NAA | CAG | NAE | HAE | 0.4° | 0.1° |
| CAG | NAE | NAJ | HAE | 180.0° | 179.9° |
| CAG | NAE | NAJ | CAH | 179.3° | 180.0° |
| NAE | CAG | NAA | HAA1 | 25.8° | 180.0° |
| NAE | CAG | NAA | HAA2 | 94.2° | 0.0° |
| NAE | NAJ | CAH | NAB | 2.1° | 0.0° |
| CAH | NAJ | NAE | HAE | 0.7° | 0.1° |
| NAJ | CAH | NAB | HAB1 | 178.6° | 179.9° |
| NAJ | CAH | NAB | HAB2 | 1.5° | 0.0° |
| CAH | NAB | HAB1 | HAB2 | 180.0° | 179.9° |
