QIJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | doub | 1.22Å | 1.17Å | |
| C10 | N12 | sing | 1.33Å | 1.49Å | |
| C10 | N09 | sing | 1.34Å | 1.46Å | |
| N12 | C13 | doub | 1.33Å | 1.44Å | |
| N09 | C08 | sing | 1.36Å | 1.45Å | |
| C13 | N14 | sing | 1.37Å | 1.42Å | |
| C13 | C07 | sing | 1.47Å | 1.49Å | |
| C08 | C07 | doub | 1.40Å | 1.49Å | |
| C08 | N02 | sing | 1.36Å | 1.44Å | |
| C07 | N06 | sing | 1.34Å | 1.46Å | |
| C01 | N02 | sing | 1.47Å | 1.46Å | |
| N02 | C03 | sing | 1.35Å | 1.44Å | |
| N06 | C05 | doub | 1.31Å | 1.42Å | |
| C03 | C05 | sing | 1.42Å | 1.52Å | |
| C03 | O04 | doub | 1.22Å | 1.19Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N14 | H142 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | N12 | 120.7° | 118.6° |
| O11 | C10 | N09 | 120.4° | 118.7° |
| N12 | C10 | N09 | 118.9° | 122.7° |
| C10 | N12 | C13 | 120.2° | 121.4° |
| C10 | N09 | C08 | 121.2° | 120.5° |
| C10 | N09 | H091 | 119.4° | 119.7° |
| N12 | C13 | N14 | 120.2° | 120.8° |
| N12 | C13 | C07 | 121.3° | 118.5° |
| N09 | C08 | C07 | 120.3° | 118.8° |
| N09 | C08 | N02 | 121.2° | 121.5° |
| C08 | N09 | H091 | 119.4° | 119.7° |
| N14 | C13 | C07 | 118.6° | 120.8° |
| C13 | N14 | H141 | 120.0° | 120.0° |
| C13 | N14 | H142 | 120.0° | 120.0° |
| C13 | C07 | C08 | 118.1° | 118.0° |
| C13 | C07 | N06 | 120.7° | 121.4° |
| C07 | C08 | N02 | 118.5° | 119.7° |
| C08 | C07 | N06 | 121.2° | 120.6° |
| C08 | N02 | C01 | 118.7° | 120.6° |
| C08 | N02 | C03 | 120.7° | 119.0° |
| C07 | N06 | C05 | 120.5° | 120.5° |
| C01 | N02 | C03 | 120.6° | 120.5° |
| N02 | C01 | H011 | 109.5° | 109.4° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.4° |
| N02 | C03 | C05 | 120.7° | 119.7° |
| N02 | C03 | O04 | 120.0° | 120.2° |
| N06 | C05 | C03 | 118.4° | 120.6° |
| N06 | C05 | H051 | 120.8° | 119.7° |
| C05 | C03 | O04 | 119.4° | 120.1° |
| C03 | C05 | H051 | 120.8° | 119.7° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.4° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H141 | N14 | H142 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | N12 | N09 | 178.3° | 179.7° |
| O11 | C10 | N12 | C13 | 179.9° | 179.7° |
| O11 | C10 | N09 | C08 | 179.7° | 179.7° |
| O11 | C10 | N09 | H091 | 0.3° | 0.3° |
| N12 | C10 | N09 | C08 | 1.4° | 0.0° |
| C10 | N12 | C13 | N14 | 178.7° | 180.0° |
| C10 | N12 | C13 | C07 | 1.3° | 0.0° |
| N12 | C10 | N09 | H091 | 178.6° | 179.9° |
| N09 | C10 | N12 | C13 | 1.6° | 0.0° |
| C10 | N09 | C08 | H091 | 180.0° | 179.9° |
| C10 | N09 | C08 | C07 | 1.0° | 0.0° |
| C10 | N09 | C08 | N02 | 179.1° | 180.0° |
| N12 | C13 | N14 | C07 | 180.0° | 180.0° |
| N12 | C13 | C07 | C08 | 0.8° | 0.0° |
| N12 | C13 | C07 | N06 | 179.7° | 179.9° |
| N12 | C13 | N14 | H141 | 0.0° | 0.0° |
| N12 | C13 | N14 | H142 | 180.0° | 179.9° |
| N09 | C08 | C07 | C13 | 0.6° | 0.0° |
| N09 | C08 | C07 | N02 | 178.2° | 180.0° |
| N09 | C08 | C07 | N06 | 179.9° | 179.9° |
| N09 | C08 | N02 | C01 | 1.5° | 0.0° |
| N09 | C08 | N02 | C03 | 180.0° | 180.0° |
| N14 | C13 | C07 | C08 | 179.2° | 180.0° |
| N14 | C13 | C07 | N06 | 0.2° | 0.1° |
| C13 | N14 | H141 | H142 | 180.0° | 179.9° |
| C13 | C07 | C08 | N06 | 179.5° | 179.9° |
| C13 | C07 | C08 | N02 | 178.8° | 180.0° |
| C13 | C07 | N06 | C05 | 179.7° | 179.9° |
| C07 | C13 | N14 | H141 | 180.0° | 180.0° |
| C07 | C13 | N14 | H142 | 0.0° | 0.1° |
| C07 | C08 | N02 | C01 | 179.7° | 180.0° |
| C07 | C08 | N02 | C03 | 1.8° | 0.0° |
| C08 | C07 | N06 | C05 | 0.2° | 0.1° |
| C07 | C08 | N09 | H091 | 179.1° | 179.9° |
| N02 | C08 | C07 | N06 | 1.7° | 0.1° |
| C08 | N02 | C01 | C03 | 178.5° | 180.0° |
| C08 | N02 | C03 | C05 | 0.5° | 0.0° |
| C08 | N02 | C03 | O04 | 178.6° | 179.9° |
| C08 | N02 | C01 | H011 | 180.0° | 90.0° |
| C08 | N02 | C01 | H012 | 60.0° | 150.0° |
| C08 | N02 | C01 | H013 | 60.0° | 29.9° |
| N02 | C08 | N09 | H091 | 0.9° | 0.1° |
| C07 | N06 | C05 | C03 | 1.1° | 0.0° |
| C07 | N06 | C05 | H051 | 178.9° | 180.0° |
| C01 | N02 | C03 | C05 | 178.9° | 179.9° |
| C01 | N02 | C03 | O04 | 0.1° | 0.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 119.9° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| N02 | C03 | C05 | N06 | 1.0° | 0.1° |
| N02 | C03 | C05 | O04 | 179.1° | 179.9° |
| C03 | N02 | C01 | H011 | 1.5° | 90.1° |
| C03 | N02 | C01 | H012 | 121.5° | 30.0° |
| C03 | N02 | C01 | H013 | 118.5° | 150.0° |
| N02 | C03 | C05 | H051 | 179.0° | 179.9° |
| N06 | C05 | C03 | H051 | 180.0° | 180.0° |
| N06 | C05 | C03 | O04 | 179.9° | 180.0° |
| O04 | C03 | C05 | H051 | 0.1° | 0.0° |
| H011 | C01 | H012 | H013 | 119.9° | 120.0° |
