WDL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAH | sing | 1.35Å | 1.37Å | |
| CAH | NAE | doub | 1.33Å | 1.33Å | Aromatic |
| CAH | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| CAI | OAC | sing | 1.35Å | 1.36Å | |
| CAI | NAF | sing | 1.33Å | 1.34Å | Aromatic |
| CAI | N6 | doub | 1.33Å | 1.33Å | Aromatic |
| NAF | CAG | doub | 1.33Å | 1.34Å | Aromatic |
| CAG | OAA | sing | 1.35Å | 1.37Å | |
| CAG | NAE | sing | 1.33Å | 1.33Å | Aromatic |
| OAB | HAB | sing | 0.97Å | 0.95Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| OAA | HAA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAH | NAE | 114.0° | 120.0° |
| OAB | CAH | N6 | 119.5° | 120.0° |
| CAH | OAB | HAB | 109.5° | 114.0° |
| NAE | CAH | N6 | 126.5° | 120.0° |
| CAH | NAE | CAG | 113.4° | 120.0° |
| CAH | N6 | CAI | 113.2° | 120.0° |
| OAC | CAI | NAF | 117.9° | 120.0° |
| OAC | CAI | N6 | 114.6° | 120.0° |
| CAI | OAC | HAC | 109.5° | 114.0° |
| NAF | CAI | N6 | 127.4° | 120.0° |
| CAI | NAF | CAG | 112.5° | 120.0° |
| NAF | CAG | OAA | 120.3° | 120.0° |
| NAF | CAG | NAE | 127.0° | 120.0° |
| OAA | CAG | NAE | 112.7° | 120.0° |
| CAG | OAA | HAA | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAH | NAE | N6 | 179.6° | 180.0° |
| OAB | CAH | N6 | CAI | 179.6° | 180.0° |
| OAB | CAH | NAE | CAG | 179.5° | 180.0° |
| NAE | CAH | N6 | CAI | 0.0° | 0.1° |
| CAH | NAE | CAG | NAF | 0.2° | NaN° |
| CAH | NAE | CAG | OAA | 179.9° | 180.0° |
| NAE | CAH | OAB | HAB | 0.0° | 90.0° |
| CAH | N6 | CAI | OAC | 179.4° | 180.0° |
| CAH | N6 | CAI | NAF | 0.0° | 0.1° |
| N6 | CAH | NAE | CAG | 0.1° | 0.0° |
| N6 | CAH | OAB | HAB | 179.6° | 90.0° |
| OAC | CAI | NAF | N6 | 179.4° | 179.9° |
| OAC | CAI | NAF | CAG | 179.4° | 180.0° |
| CAI | NAF | CAG | OAA | 180.0° | 180.0° |
| CAI | NAF | CAG | NAE | 0.1° | 0.0° |
| NAF | CAI | OAC | HAC | 0.0° | 90.0° |
| N6 | CAI | NAF | CAG | 0.0° | 0.1° |
| N6 | CAI | OAC | HAC | 179.5° | 89.9° |
| NAF | CAG | OAA | NAE | 179.9° | 180.0° |
| NAF | CAG | OAA | HAA | 0.0° | 89.9° |
| NAE | CAG | OAA | HAA | 179.9° | 90.1° |
