U9S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.26Å | |
| O07 | C06 | doub | 1.21Å | 1.26Å | |
| O03 | C02 | sing | 1.34Å | 1.27Å | |
| C02 | C04 | sing | 1.51Å | 1.52Å | |
| C06 | O08 | sing | 1.34Å | 1.27Å | |
| C06 | C05 | sing | 1.51Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.45Å | |
| C04 | O09 | sing | 1.43Å | 1.44Å | |
| C05 | O09 | sing | 1.43Å | 1.46Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| O03 | H3 | sing | 0.97Å | 0.95Å | |
| O08 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | O03 | 122.0° | 120.0° |
| O01 | C02 | C04 | 120.1° | 120.0° |
| O07 | C06 | O08 | 118.7° | 120.0° |
| O07 | C06 | C05 | 121.7° | 120.0° |
| O03 | C02 | C04 | 117.8° | 120.0° |
| C02 | O03 | H3 | 109.5° | 117.0° |
| C02 | C04 | C05 | 119.4° | 117.8° |
| C02 | C04 | O09 | 111.4° | 117.8° |
| C02 | C04 | H1 | 116.6° | 115.7° |
| O08 | C06 | C05 | 119.7° | 120.0° |
| C06 | O08 | H4 | 109.5° | 117.0° |
| C06 | C05 | C04 | 122.3° | 117.8° |
| C06 | C05 | O09 | 116.4° | 117.8° |
| C06 | C05 | H2 | 114.6° | 115.7° |
| C05 | C04 | O09 | 60.6° | 57.6° |
| C04 | C05 | O09 | 59.5° | 57.6° |
| C05 | C04 | H1 | 118.1° | 117.7° |
| C04 | C05 | H2 | 116.5° | 117.8° |
| C04 | O09 | C05 | 59.9° | 64.7° |
| O09 | C04 | H1 | 118.3° | 117.8° |
| O09 | C05 | H2 | 116.4° | 117.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O03 | C04 | 179.1° | 179.8° |
| O01 | C02 | C04 | C05 | 84.9° | 115.0° |
| O01 | C02 | C04 | O09 | 152.3° | 48.9° |
| O01 | C02 | C04 | H1 | 67.8° | 98.1° |
| O01 | C02 | O03 | H3 | 0.0° | 0.2° |
| O07 | C06 | O08 | C05 | 179.0° | 179.9° |
| O07 | C06 | C05 | C04 | 23.0° | 115.0° |
| O07 | C06 | C05 | O09 | 46.1° | 49.0° |
| O07 | C06 | C05 | H2 | 173.4° | 98.0° |
| O07 | C06 | O08 | H4 | 0.0° | 0.1° |
| O03 | C02 | C04 | C05 | 96.0° | 65.2° |
| O03 | C02 | C04 | O09 | 28.7° | 131.3° |
| O03 | C02 | C04 | H1 | 111.3° | 81.8° |
| C02 | C04 | C05 | C06 | 4.4° | 0.0° |
| C02 | C04 | C05 | O09 | 99.4° | 106.8° |
| C02 | C04 | C05 | H1 | 152.3° | 146.3° |
| C02 | C04 | O09 | H1 | 139.2° | 146.3° |
| C02 | C04 | C05 | H2 | 154.3° | 146.3° |
| C04 | C02 | O03 | H3 | 179.1° | 180.0° |
| O08 | C06 | C05 | C04 | 158.1° | 65.0° |
| O08 | C06 | C05 | O09 | 132.8° | 131.0° |
| O08 | C06 | C05 | H2 | 7.7° | 82.0° |
| C06 | C05 | C04 | O09 | 103.8° | 106.8° |
| C06 | C05 | C04 | H2 | 149.9° | 146.3° |
| C06 | C05 | O09 | H2 | 139.8° | 146.3° |
| C06 | C05 | C04 | H1 | 147.8° | 146.3° |
| C05 | C06 | O08 | H4 | 179.0° | 180.0° |
| C05 | C04 | O09 | H1 | 108.1° | 106.8° |
| C04 | C05 | O09 | H2 | 106.7° | 106.9° |
| H1 | C04 | C05 | H2 | 2.0° | 0.0° |
