SGU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | sing | 1.43Å | 1.36Å | |
| O01 | C02 | sing | 1.43Å | 1.40Å | |
| C02 | C04 | sing | 1.54Å | 1.52Å | |
| C02 | O08 | sing | 1.43Å | 1.40Å | |
| C04 | C05 | sing | 1.55Å | 1.53Å | |
| O08 | C06 | sing | 1.44Å | 1.45Å | |
| C05 | C06 | sing | 1.55Å | 1.54Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O03 | H031 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | O01 | 109.3° | 109.9° |
| O03 | C02 | C04 | 111.6° | 109.8° |
| O03 | C02 | O08 | 108.2° | 109.8° |
| C02 | O03 | H031 | 109.5° | 114.0° |
| O01 | C02 | C04 | 111.2° | 109.8° |
| O01 | C02 | O08 | 109.8° | 109.8° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C04 | C02 | O08 | 106.7° | 107.6° |
| C02 | C04 | C05 | 103.7° | 102.3° |
| C02 | C04 | H042 | 110.9° | 110.9° |
| C02 | C04 | H041 | 110.9° | 110.8° |
| C02 | O08 | C06 | 112.0° | 110.0° |
| C04 | C05 | C06 | 104.6° | 101.0° |
| C05 | C04 | H042 | 110.9° | 110.9° |
| C05 | C04 | H041 | 110.9° | 110.8° |
| C04 | C05 | H052 | 110.7° | 111.1° |
| C04 | C05 | H051 | 110.7° | 111.1° |
| O08 | C06 | C05 | 105.8° | 105.1° |
| O08 | C06 | C07 | 110.2° | 110.3° |
| O08 | C06 | H061 | 108.9° | 110.3° |
| C05 | C06 | C07 | 115.8° | 110.4° |
| C06 | C05 | H052 | 110.7° | 111.1° |
| C06 | C05 | H051 | 110.7° | 111.1° |
| C05 | C06 | H061 | 107.8° | 110.3° |
| C07 | C06 | H061 | 108.0° | 110.3° |
| C06 | C07 | H071 | 109.5° | 109.4° |
| C06 | C07 | H072 | 109.5° | 109.5° |
| C06 | C07 | H073 | 109.4° | 109.4° |
| H042 | C04 | H041 | 109.5° | 110.9° |
| H052 | C05 | H051 | 109.5° | 111.0° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H071 | C07 | H073 | 109.5° | 109.4° |
| H072 | C07 | H073 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | O01 | C04 | 123.7° | 120.9° |
| O03 | C02 | O01 | O08 | 118.5° | 120.9° |
| O03 | C02 | C04 | O08 | 118.0° | 119.5° |
| O03 | C02 | C04 | C05 | 91.1° | 140.8° |
| O03 | C02 | O08 | C06 | 101.3° | 117.8° |
| O03 | C02 | C04 | H042 | 149.8° | 100.9° |
| O03 | C02 | C04 | H041 | 28.0° | 22.7° |
| O03 | C02 | O01 | H011 | 180.0° | 59.1° |
| O01 | C02 | C04 | O08 | 119.7° | 119.5° |
| O01 | C02 | C04 | C05 | 146.5° | 98.2° |
| O01 | C02 | O08 | C06 | 139.5° | 121.2° |
| O01 | C02 | C04 | H042 | 27.5° | 20.1° |
| O01 | C02 | C04 | H041 | 94.4° | 143.7° |
| O01 | C02 | O03 | H031 | 180.0° | 59.0° |
| C02 | C04 | C05 | H042 | 119.1° | 118.2° |
| C02 | C04 | C05 | H041 | 119.1° | 118.2° |
| C04 | C02 | O08 | C06 | 18.9° | 1.7° |
| C02 | C04 | C05 | C06 | 24.5° | 34.1° |
| C02 | C04 | H042 | H041 | 122.7° | 123.6° |
| C02 | C04 | C05 | H052 | 143.7° | 83.8° |
| C02 | C04 | C05 | H051 | 94.7° | 152.1° |
| C04 | C02 | O01 | H011 | 56.3° | 180.0° |
| C04 | C02 | O03 | H031 | 56.6° | 180.0° |
| O08 | C02 | C04 | C05 | 26.9° | 21.3° |
| C02 | O08 | C06 | C05 | 2.9° | 24.4° |
| C02 | O08 | C06 | C07 | 128.8° | 143.4° |
| O08 | C02 | C04 | H042 | 92.2° | 139.6° |
| O08 | C02 | C04 | H041 | 146.0° | 96.8° |
| C02 | O08 | C06 | H061 | 112.8° | 94.5° |
| O08 | C02 | O01 | H011 | 61.5° | 61.8° |
| O08 | C02 | O03 | H031 | 60.5° | 61.9° |
| C04 | C05 | C06 | O08 | 14.1° | 36.4° |
| C04 | C05 | C06 | H052 | 119.3° | 117.9° |
| C04 | C05 | C06 | H051 | 119.2° | 118.0° |
| C04 | C05 | C06 | C07 | 108.3° | 155.3° |
| C05 | C04 | H042 | H041 | 122.7° | 123.6° |
| C04 | C05 | H052 | H051 | 122.2° | 124.2° |
| C04 | C05 | C06 | H061 | 130.5° | 82.6° |
| O08 | C06 | C05 | C07 | 122.4° | 118.9° |
| O08 | C06 | C05 | H061 | 116.4° | 118.9° |
| O08 | C06 | C07 | H061 | 118.9° | 122.2° |
| O08 | C06 | C05 | H052 | 133.4° | 81.5° |
| O08 | C06 | C05 | H051 | 105.1° | 154.3° |
| O08 | C06 | C07 | H071 | 180.0° | 175.7° |
| O08 | C06 | C07 | H072 | 60.0° | 64.3° |
| O08 | C06 | C07 | H073 | 60.0° | 55.8° |
| C05 | C06 | C07 | H061 | 121.0° | 122.1° |
| C06 | C05 | C04 | H042 | 94.6° | 152.3° |
| C06 | C05 | C04 | H041 | 143.6° | 84.1° |
| C06 | C05 | H052 | H051 | 122.3° | 124.2° |
| C05 | C06 | C07 | H071 | 59.9° | 59.9° |
| C05 | C06 | C07 | H072 | 179.9° | 180.0° |
| C05 | C06 | C07 | H073 | 60.1° | 60.0° |
| C07 | C06 | C05 | H052 | 10.9° | 37.4° |
| C07 | C06 | C05 | H051 | 132.5° | 86.7° |
| C06 | C07 | H071 | H072 | 120.0° | 120.1° |
| C06 | C07 | H071 | H073 | 120.0° | 119.9° |
| C06 | C07 | H072 | H073 | 120.0° | 120.0° |
| H042 | C04 | C05 | H052 | 24.6° | 34.4° |
| H042 | C04 | C05 | H051 | 146.2° | 89.7° |
| H041 | C04 | C05 | H052 | 97.2° | 158.1° |
| H041 | C04 | C05 | H051 | 24.3° | 33.9° |
| H052 | C05 | C06 | H061 | 110.2° | 159.5° |
| H051 | C05 | C06 | H061 | 11.3° | 35.4° |
| H061 | C06 | C07 | H071 | 61.1° | 62.2° |
| H061 | C06 | C07 | H072 | 58.9° | 57.9° |
| H061 | C06 | C07 | H073 | 178.9° | 177.9° |
| H071 | C07 | H072 | H073 | 120.0° | 120.0° |
