XX2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | N9 | sing | 1.24Å | 1.27Å | |
| N9 | O10 | doub | 1.24Å | 1.47Å | |
| N9 | C4 | sing | 1.42Å | 1.36Å | |
| C4 | C3 | doub | 1.34Å | 1.41Å | |
| C4 | C5 | sing | 1.44Å | 1.41Å | |
| C3 | C2 | sing | 1.44Å | 1.46Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | O8 | sing | 1.37Å | 1.41Å | |
| C2 | C1 | sing | 1.48Å | 1.53Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | doub | 1.34Å | 1.41Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C1 | sing | 1.49Å | 1.40Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | O7 | doub | 1.22Å | 1.26Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | N9 | O10 | 119.7° | 125.4° |
| O11 | N9 | C4 | 118.7° | 117.3° |
| O10 | N9 | C4 | 120.2° | 117.3° |
| N9 | C4 | C3 | 116.9° | 115.9° |
| N9 | C4 | C5 | 122.9° | 120.1° |
| C3 | C4 | C5 | 120.2° | 124.0° |
| C4 | C3 | C2 | 119.3° | 117.7° |
| C4 | C3 | H3 | 120.4° | 123.5° |
| C4 | C5 | C6 | 122.3° | 121.2° |
| C4 | C5 | H5 | 118.8° | 119.1° |
| C2 | C3 | H3 | 120.3° | 118.7° |
| C3 | C2 | O8 | 115.8° | 117.6° |
| C3 | C2 | C1 | 116.4° | 121.3° |
| O8 | C2 | C1 | 120.4° | 121.1° |
| C2 | O8 | HO8 | 109.5° | 110.3° |
| C2 | C1 | C6 | 120.7° | 115.7° |
| C2 | C1 | O7 | 119.2° | 122.5° |
| C6 | C5 | H5 | 118.8° | 119.8° |
| C5 | C6 | C1 | 118.2° | 120.1° |
| C5 | C6 | H6 | 120.9° | 121.8° |
| C1 | C6 | H6 | 120.9° | 118.2° |
| C6 | C1 | O7 | 119.7° | 121.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | N9 | O10 | C4 | 166.2° | 179.9° |
| O11 | N9 | C4 | C3 | 177.4° | 150.0° |
| O11 | N9 | C4 | C5 | 5.2° | 30.0° |
| O10 | N9 | C4 | C3 | 11.1° | 30.1° |
| O10 | N9 | C4 | C5 | 171.5° | 149.9° |
| N9 | C4 | C3 | C5 | 177.5° | 180.0° |
| N9 | C4 | C3 | C2 | 167.9° | 180.0° |
| N9 | C4 | C3 | H3 | 12.0° | 0.0° |
| N9 | C4 | C5 | C6 | 163.0° | 180.0° |
| N9 | C4 | C5 | H5 | 17.0° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | O8 | 150.0° | 179.8° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C3 | C4 | C5 | C6 | 19.7° | 0.1° |
| C3 | C4 | C5 | H5 | 160.3° | 180.0° |
| C5 | C4 | C3 | C2 | 14.6° | 0.0° |
| C5 | C4 | C3 | H3 | 165.4° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 8.7° | 0.1° |
| C4 | C5 | C6 | H6 | 171.3° | 180.0° |
| C3 | C2 | O8 | C1 | 148.9° | 179.8° |
| C3 | C2 | O8 | HO8 | 161.2° | 53.0° |
| C3 | C2 | C1 | C6 | 10.2° | 0.0° |
| C3 | C2 | C1 | O7 | 176.4° | 180.0° |
| H3 | C3 | C2 | O8 | 30.0° | 0.1° |
| H3 | C3 | C2 | C1 | 179.8° | 180.0° |
| O8 | C2 | C1 | C6 | 159.0° | 179.8° |
| O8 | C2 | C1 | O7 | 27.7° | 0.2° |
| C1 | C2 | O8 | HO8 | 12.3° | 126.8° |
| C2 | C1 | C6 | C5 | 6.2° | 0.0° |
| C2 | C1 | C6 | O7 | 173.3° | 180.0° |
| C2 | C1 | C6 | H6 | 173.8° | 180.0° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | O7 | 179.5° | 180.0° |
| H5 | C5 | C6 | C1 | 171.2° | 180.0° |
| H5 | C5 | C6 | H6 | 8.7° | 0.1° |
| H6 | C6 | C1 | O7 | 0.5° | 0.0° |
