XXG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C1 | doub | 1.21Å | 1.29Å | |
| C1 | C6 | sing | 1.41Å | 1.41Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | O13 | sing | 1.43Å | 1.43Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| O8 | C2 | sing | 1.43Å | 1.43Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.51Å | 1.46Å | |
| C3 | C4 | doub | 1.33Å | 1.40Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.46Å | 1.39Å | |
| S9 | C4 | sing | 1.76Å | 1.60Å | |
| S9 | O10 | sing | 1.52Å | 1.46Å | |
| O12 | S9 | doub | 1.42Å | 1.46Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| O11 | S9 | doub | 1.42Å | 1.70Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C1 | C6 | 120.1° | 120.9° |
| O7 | C1 | C2 | 120.6° | 120.8° |
| C6 | C1 | C2 | 118.8° | 118.3° |
| C1 | C6 | C5 | 119.6° | 121.0° |
| C1 | C6 | H6 | 120.2° | 119.5° |
| C1 | C2 | O13 | 119.4° | 107.8° |
| C1 | C2 | O8 | 114.0° | 107.8° |
| C1 | C2 | C3 | 111.8° | 117.6° |
| C2 | O13 | HO13 | 109.5° | 114.0° |
| O13 | C2 | O8 | 104.2° | 107.6° |
| O13 | C2 | C3 | 93.5° | 107.8° |
| C2 | O8 | HO8 | 109.5° | 114.0° |
| O8 | C2 | C3 | 112.2° | 107.8° |
| C2 | C3 | C4 | 119.5° | 118.9° |
| C2 | C3 | H3 | 120.3° | 120.5° |
| C3 | C4 | C5 | 121.2° | 121.5° |
| C3 | C4 | S9 | 116.4° | 119.3° |
| C4 | C3 | H3 | 120.2° | 120.6° |
| C6 | C5 | H5 | 119.5° | 118.6° |
| C6 | C5 | C4 | 121.1° | 122.7° |
| C5 | C6 | H6 | 120.2° | 119.5° |
| H5 | C5 | C4 | 119.4° | 118.7° |
| C5 | C4 | S9 | 122.2° | 119.2° |
| C4 | S9 | O10 | 108.0° | 107.2° |
| C4 | S9 | O12 | 110.7° | 106.4° |
| C4 | S9 | O11 | 109.1° | 106.4° |
| O10 | S9 | O12 | 108.7° | 106.4° |
| S9 | O10 | HO10 | 109.5° | 114.0° |
| O10 | S9 | O11 | 109.5° | 106.4° |
| O12 | S9 | O11 | 110.8° | 123.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C1 | C6 | C2 | 172.4° | 179.8° |
| O7 | C1 | C2 | O13 | 110.9° | 58.0° |
| O7 | C1 | C2 | O8 | 13.0° | 58.0° |
| O7 | C1 | C2 | C3 | 141.6° | 180.0° |
| O7 | C1 | C6 | C5 | 155.5° | 180.0° |
| O7 | C1 | C6 | H6 | 24.5° | 0.0° |
| C6 | C1 | C2 | O13 | 76.7° | 121.8° |
| C6 | C1 | C2 | O8 | 159.4° | 122.2° |
| C6 | C1 | C2 | C3 | 30.7° | 0.2° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 178.5° | 180.0° |
| C1 | C6 | C5 | C4 | 1.5° | 0.0° |
| C1 | C2 | O13 | O8 | 128.5° | 116.1° |
| C1 | C2 | O13 | C3 | 117.5° | 127.9° |
| C1 | C2 | O13 | HO13 | 42.3° | 60.0° |
| C1 | C2 | O8 | C3 | 128.4° | 127.9° |
| C1 | C2 | O8 | HO8 | 115.8° | 60.0° |
| C1 | C2 | C3 | C4 | 31.2° | 0.0° |
| C2 | C1 | C6 | C5 | 16.9° | 0.2° |
| C1 | C2 | C3 | H3 | 148.8° | 180.0° |
| C2 | C1 | C6 | H6 | 163.1° | 179.8° |
| O13 | C2 | O8 | C3 | 99.8° | 116.1° |
| O13 | C2 | O8 | HO8 | 15.9° | 56.1° |
| O13 | C2 | C3 | C4 | 92.5° | 122.0° |
| O13 | C2 | C3 | H3 | 87.6° | 57.9° |
| HO13 | O13 | C2 | O8 | 86.2° | 56.0° |
| HO13 | O13 | C2 | C3 | 159.8° | 172.1° |
| O8 | C2 | C3 | C4 | 160.7° | 122.1° |
| O8 | C2 | C3 | H3 | 19.3° | 58.0° |
| HO8 | O8 | C2 | C3 | 115.8° | 172.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 18.2° | 0.2° |
| C2 | C3 | C4 | S9 | 166.3° | 180.0° |
| C3 | C4 | C5 | C6 | 1.8° | 0.2° |
| C3 | C4 | C5 | H5 | 178.2° | 179.7° |
| C3 | C4 | C5 | S9 | 175.2° | 179.8° |
| C3 | C4 | S9 | O10 | 89.8° | 110.0° |
| C3 | C4 | S9 | O12 | 151.3° | 3.5° |
| C3 | C4 | S9 | O11 | 29.1° | 136.4° |
| C6 | C5 | H5 | C4 | 180.0° | 180.0° |
| C6 | C5 | C4 | S9 | 177.0° | 180.0° |
| H5 | C5 | C4 | S9 | 3.0° | 0.1° |
| H5 | C5 | C6 | H6 | 1.6° | 0.0° |
| C5 | C4 | S9 | O10 | 94.8° | 69.8° |
| C5 | C4 | S9 | O12 | 24.1° | 176.7° |
| C5 | C4 | S9 | O11 | 146.3° | 43.8° |
| C5 | C4 | C3 | H3 | 161.7° | 179.8° |
| C4 | C5 | C6 | H6 | 178.5° | 180.0° |
| C4 | S9 | O10 | O12 | 120.2° | 113.5° |
| C4 | S9 | O10 | O11 | 118.6° | 113.6° |
| C4 | S9 | O12 | O11 | 121.1° | 123.0° |
| C4 | S9 | O10 | HO10 | 16.7° | 180.0° |
| S9 | C4 | C3 | H3 | 13.8° | 0.0° |
| O10 | S9 | O12 | O11 | 120.4° | 123.0° |
| O12 | S9 | O10 | HO10 | 103.4° | 66.5° |
| HO10 | O10 | S9 | O11 | 135.3° | 66.5° |
