8X3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | S3 | doub | 1.42Å | 1.43Å | |
| O7 | S3 | doub | 1.42Å | 1.43Å | |
| O4 | S3 | sing | 1.52Å | 1.45Å | |
| S3 | C2 | sing | 1.81Å | 1.90Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| O6 | C1 | sing | 1.43Å | 1.47Å | |
| C1 | H012 | sing | 1.09Å | 1.10Å | |
| C1 | H011 | sing | 1.09Å | 1.10Å | |
| C2 | H022 | sing | 1.09Å | 1.10Å | |
| C2 | H021 | sing | 1.09Å | 1.10Å | |
| O6 | H061 | sing | 0.97Å | 0.95Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | S3 | O7 | 114.6° | 121.0° |
| O5 | S3 | O4 | 111.4° | 104.3° |
| O5 | S3 | C2 | 107.0° | 110.5° |
| O7 | S3 | O4 | 114.4° | 104.3° |
| O7 | S3 | C2 | 104.3° | 110.5° |
| O4 | S3 | C2 | 103.9° | 104.5° |
| S3 | O4 | H1 | 109.5° | 114.0° |
| S3 | C2 | C1 | 109.1° | 109.5° |
| S3 | C2 | H022 | 109.6° | 109.4° |
| S3 | C2 | H021 | 109.6° | 109.5° |
| C2 | C1 | O6 | 107.4° | 109.4° |
| C2 | C1 | H012 | 110.0° | 109.5° |
| C2 | C1 | H011 | 110.0° | 109.5° |
| C1 | C2 | H022 | 109.6° | 109.5° |
| C1 | C2 | H021 | 109.5° | 109.6° |
| O6 | C1 | H012 | 110.0° | 109.5° |
| O6 | C1 | H011 | 110.0° | 109.4° |
| C1 | O6 | H061 | 109.5° | 113.9° |
| H012 | C1 | H011 | 109.5° | 109.5° |
| H022 | C2 | H021 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | S3 | O7 | O4 | 130.5° | 116.8° |
| O5 | S3 | O7 | C2 | 116.7° | 131.5° |
| O5 | S3 | O4 | C2 | 114.9° | 116.1° |
| O5 | S3 | C2 | C1 | 28.1° | 68.4° |
| O5 | S3 | C2 | H022 | 91.8° | 171.6° |
| O5 | S3 | C2 | H021 | 148.0° | 51.7° |
| O5 | S3 | O4 | H1 | 0.0° | 63.9° |
| O7 | S3 | O4 | C2 | 113.1° | 116.1° |
| O7 | S3 | C2 | C1 | 93.7° | 68.3° |
| O7 | S3 | C2 | H022 | 146.4° | 51.7° |
| O7 | S3 | C2 | H021 | 26.2° | 171.6° |
| O7 | S3 | O4 | H1 | 132.0° | 64.0° |
| O4 | S3 | C2 | C1 | 146.1° | 180.0° |
| O4 | S3 | C2 | H022 | 26.2° | 60.0° |
| O4 | S3 | C2 | H021 | 94.0° | 59.9° |
| S3 | C2 | C1 | H022 | 119.9° | 119.9° |
| S3 | C2 | C1 | H021 | 120.0° | 120.0° |
| S3 | C2 | C1 | O6 | 83.3° | 180.0° |
| S3 | C2 | C1 | H012 | 36.4° | 60.0° |
| S3 | C2 | C1 | H011 | 157.0° | 60.1° |
| S3 | C2 | H022 | H021 | 120.2° | 119.9° |
| C2 | S3 | O4 | H1 | 115.0° | 179.9° |
| C2 | C1 | O6 | H012 | 119.7° | 120.0° |
| C2 | C1 | O6 | H011 | 119.7° | 119.9° |
| C2 | C1 | H012 | H011 | 120.9° | 120.1° |
| C1 | C2 | H022 | H021 | 120.1° | 120.1° |
| C2 | C1 | O6 | H061 | 180.0° | 180.0° |
| O6 | C1 | H012 | H011 | 121.0° | 120.0° |
| O6 | C1 | C2 | H022 | 156.8° | 60.1° |
| O6 | C1 | C2 | H021 | 36.7° | 60.0° |
| H012 | C1 | C2 | H022 | 83.5° | 59.9° |
| H012 | C1 | C2 | H021 | 156.4° | 179.9° |
| H012 | C1 | O6 | H061 | 60.3° | 60.0° |
| H011 | C1 | C2 | H022 | 37.1° | 180.0° |
| H011 | C1 | C2 | H021 | 83.0° | 59.9° |
| H011 | C1 | O6 | H061 | 60.4° | 60.1° |
