UJI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | SB02 | sing | 2.04Å | 2.02Å | |
| SB02 | O03 | sing | 2.04Å | 2.05Å | |
| SB02 | O04 | sing | 2.04Å | 1.78Å | |
| SB02 | O05 | sing | 2.04Å | 1.88Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| O03 | H2 | sing | 0.97Å | 0.95Å | |
| O04 | H3 | sing | 0.97Å | 0.95Å | |
| O05 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | SB02 | O03 | 87.0° | 109.5° |
| O01 | SB02 | O04 | 154.8° | 109.5° |
| O01 | SB02 | O05 | 86.9° | 109.5° |
| SB02 | O01 | H1 | 109.5° | 114.0° |
| O03 | SB02 | O04 | 90.4° | 109.5° |
| O03 | SB02 | O05 | 81.1° | 109.5° |
| SB02 | O03 | H2 | 109.5° | 114.0° |
| O04 | SB02 | O05 | 117.4° | 109.5° |
| SB02 | O04 | H3 | 109.5° | 114.0° |
| SB02 | O05 | H4 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | SB02 | O03 | O04 | 155.0° | 120.0° |
| O01 | SB02 | O03 | O05 | 87.3° | 120.0° |
| O01 | SB02 | O04 | O05 | 163.9° | 120.0° |
| O01 | SB02 | O03 | H2 | 180.0° | 60.0° |
| O01 | SB02 | O04 | H3 | 180.0° | 60.0° |
| O01 | SB02 | O05 | H4 | 180.0° | 60.0° |
| O03 | SB02 | O04 | O05 | 80.1° | 120.0° |
| O03 | SB02 | O01 | H1 | 180.0° | 60.0° |
| O03 | SB02 | O04 | H3 | 96.2° | 180.0° |
| O03 | SB02 | O05 | H4 | 92.5° | 60.0° |
| O04 | SB02 | O01 | H1 | 95.5° | 180.0° |
| O04 | SB02 | O03 | H2 | 25.1° | 60.0° |
| O04 | SB02 | O05 | H4 | 6.8° | 180.0° |
| O05 | SB02 | O01 | H1 | 98.8° | 60.0° |
| O05 | SB02 | O03 | H2 | 92.7° | 180.0° |
| O05 | SB02 | O04 | H3 | 16.1° | 60.0° |
