UJD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | sing | 1.55Å | 1.50Å | |
| C07 | S08 | sing | 1.83Å | 1.78Å | |
| C06 | S05 | sing | 1.82Å | 1.78Å | |
| O01 | C02 | doub | 1.21Å | 1.26Å | |
| S08 | C04 | sing | 1.83Å | 1.82Å | |
| C02 | C04 | sing | 1.51Å | 1.56Å | |
| C02 | O03 | sing | 1.34Å | 1.25Å | |
| S05 | C04 | sing | 1.82Å | 1.82Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| O03 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | S08 | 108.8° | 105.0° |
| C07 | C06 | S05 | 111.5° | 107.0° |
| C07 | C06 | H2 | 109.0° | 110.0° |
| C07 | C06 | H3 | 109.0° | 110.1° |
| C06 | C07 | H4 | 109.7° | 110.3° |
| C06 | C07 | H5 | 109.6° | 110.3° |
| C07 | S08 | C04 | 96.4° | 99.5° |
| S08 | C07 | H4 | 109.6° | 110.3° |
| S08 | C07 | H5 | 109.6° | 110.4° |
| C06 | S05 | C04 | 99.6° | 102.1° |
| S05 | C06 | H2 | 109.0° | 109.9° |
| S05 | C06 | H3 | 109.0° | 109.9° |
| O01 | C02 | C04 | 118.0° | 120.0° |
| O01 | C02 | O03 | 125.3° | 120.0° |
| S08 | C04 | C02 | 113.9° | 110.3° |
| S08 | C04 | S05 | 106.5° | 105.2° |
| S08 | C04 | H1 | 105.9° | 110.3° |
| C04 | C02 | O03 | 116.6° | 120.0° |
| C02 | C04 | S05 | 115.4° | 110.4° |
| C02 | C04 | H1 | 108.6° | 110.3° |
| C02 | O03 | H6 | 109.5° | 117.0° |
| S05 | C04 | H1 | 105.9° | 110.3° |
| H2 | C06 | H3 | 109.4° | 109.9° |
| H4 | C07 | H5 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | S08 | H4 | 119.9° | 118.9° |
| C06 | C07 | S08 | H5 | 119.9° | 118.9° |
| C07 | C06 | S05 | H2 | 120.3° | 119.4° |
| C07 | C06 | S05 | H3 | 120.3° | 119.5° |
| C06 | C07 | S08 | C04 | 42.1° | 44.2° |
| C07 | C06 | S05 | C04 | 12.9° | 28.9° |
| C07 | C06 | H2 | H3 | 119.1° | 121.4° |
| C06 | C07 | H4 | H5 | 120.3° | 122.2° |
| S08 | C07 | C06 | S05 | 36.6° | 46.3° |
| C07 | S08 | C04 | C02 | 96.5° | 142.9° |
| C07 | S08 | C04 | S05 | 31.8° | 23.9° |
| C07 | S08 | C04 | H1 | 144.2° | 95.0° |
| S08 | C07 | C06 | H2 | 156.9° | 73.0° |
| S08 | C07 | C06 | H3 | 83.7° | 165.7° |
| S08 | C07 | H4 | H5 | 120.3° | 122.2° |
| C06 | S05 | C04 | S08 | 14.5° | 0.3° |
| C06 | S05 | C04 | C02 | 113.0° | 119.3° |
| C06 | S05 | C04 | H1 | 126.8° | 118.6° |
| S05 | C06 | H2 | H3 | 119.1° | 121.1° |
| S05 | C06 | C07 | H4 | 156.5° | 72.5° |
| S05 | C06 | C07 | H5 | 83.3° | 165.2° |
| O01 | C02 | C04 | S08 | 94.6° | 147.5° |
| O01 | C02 | C04 | O03 | 179.4° | 179.8° |
| O01 | C02 | C04 | S05 | 29.0° | 31.7° |
| O01 | C02 | C04 | H1 | 147.7° | 90.5° |
| O01 | C02 | O03 | H6 | 0.0° | 0.3° |
| S08 | C04 | C02 | S05 | 123.6° | 115.8° |
| S08 | C04 | C02 | H1 | 117.7° | 122.1° |
| S08 | C04 | C02 | O03 | 86.0° | 32.8° |
| S08 | C04 | S05 | H1 | 112.4° | 118.9° |
| C04 | S08 | C07 | H4 | 162.0° | 74.7° |
| C04 | S08 | C07 | H5 | 77.8° | 163.1° |
| C02 | C04 | S05 | H1 | 120.2° | 122.1° |
| C04 | C02 | O03 | H6 | 179.3° | 180.0° |
| O03 | C02 | C04 | S05 | 150.4° | 148.6° |
| O03 | C02 | C04 | H1 | 31.7° | 89.3° |
| C04 | S05 | C06 | H2 | 133.2° | 90.4° |
| C04 | S05 | C06 | H3 | 107.4° | 148.4° |
| H2 | C06 | C07 | H4 | 83.2° | 168.2° |
| H2 | C06 | C07 | H5 | 37.1° | 45.9° |
| H3 | C06 | C07 | H4 | 36.2° | 46.9° |
| H3 | C06 | C07 | H5 | 156.4° | 75.3° |
