AUC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| AU | C1 | sing | 2.15Å | 2.10Å | |
| AU | C2 | sing | 2.15Å | 2.27Å | |
| C1 | N1 | trip | 1.14Å | 1.24Å | |
| C2 | N2 | trip | 1.14Å | 1.29Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | AU | C2 | 167.8° | 180.0° |
| AU | C1 | N1 | 155.5° | 180.0° |
| AU | C2 | N2 | 145.4° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | AU | C2 | N2 | 157.4° | 90.0° |
| C2 | AU | C1 | N1 | 166.3° | 90.0° |
