CUN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CU | S | sing | 0.00Å | 2.15Å | |
| S | MO | sing | 0.00Å | 2.34Å | |
| MO | OM2 | sing | 0.00Å | 2.01Å | |
| MO | OM1 | doub | 0.00Å | 1.72Å | |
| OM2 | HO2 | sing | 0.00Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CU | S | MO | 121.8° | 90.0° |
| S | MO | OM2 | 84.2° | 90.0° |
| S | MO | OM1 | 106.1° | 90.0° |
| OM2 | MO | OM1 | 110.0° | 90.0° |
| MO | OM2 | HO2 | 84.2° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CU | S | MO | OM2 | 9.0° | 90.0° |
| CU | S | MO | OM1 | 118.3° | 90.0° |
| S | MO | OM2 | OM1 | 105.1° | 90.0° |
| S | MO | OM2 | HO2 | 179.9° | 90.0° |
| OM1 | MO | OM2 | HO2 | 75.0° | 90.0° |
