RUQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | CU2 | sing | 0.00Å | 2.20Å | |
| S1 | CU3 | sing | 0.00Å | 2.23Å | |
| S1 | CU4 | sing | 0.00Å | 2.34Å | |
| S2 | CU4 | sing | 0.00Å | 2.34Å | |
| S2 | H1 | sing | 0.00Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CU2 | S1 | CU3 | 77.1° | 90.0° |
| CU2 | S1 | CU4 | 74.5° | 90.0° |
| CU3 | S1 | CU4 | 79.8° | 90.0° |
| S1 | CU4 | S2 | 103.1° | 90.0° |
| CU4 | S2 | H1 | 102.0° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CU2 | S1 | CU3 | CU4 | 76.3° | 90.0° |
| CU2 | S1 | CU4 | S2 | 176.3° | 90.0° |
| CU3 | S1 | CU4 | S2 | 104.4° | 90.0° |
| S1 | CU4 | S2 | H1 | 180.0° | 90.0° |
