OJX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C06 | sing | 1.51Å | 1.52Å | |
| O01 | N04 | sing | 1.42Å | 1.40Å | |
| C06 | N04 | doub | 1.32Å | 1.31Å | Aromatic |
| C06 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| N04 | C07 | sing | 1.32Å | 1.31Å | Aromatic |
| C09 | N05 | doub | 1.32Å | 1.32Å | Aromatic |
| C07 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
| N05 | C08 | sing | 1.33Å | 1.31Å | Aromatic |
| C08 | C11 | sing | 1.48Å | 1.51Å | |
| C11 | O02 | doub | 1.22Å | 1.26Å | |
| C11 | O03 | sing | 1.35Å | 1.25Å | |
| C07 | H1 | sing | 1.08Å | 1.08Å | |
| C09 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| O03 | H7 | sing | 0.97Å | 0.95Å | |
| O01 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C06 | N04 | 119.8° | 119.9° |
| C10 | C06 | C09 | 120.0° | 119.9° |
| C06 | C10 | H3 | 109.5° | 109.5° |
| C06 | C10 | H4 | 109.4° | 109.5° |
| C06 | C10 | H5 | 109.4° | 109.5° |
| O01 | N04 | C06 | 120.3° | 120.0° |
| O01 | N04 | C07 | 119.9° | 120.0° |
| N04 | O01 | H6 | 109.5° | 114.1° |
| N04 | C06 | C09 | 120.2° | 120.2° |
| C06 | N04 | C07 | 119.7° | 120.0° |
| C06 | C09 | N05 | 120.1° | 120.1° |
| C06 | C09 | H2 | 120.0° | 120.0° |
| N04 | C07 | C08 | 119.9° | 119.9° |
| N04 | C07 | H1 | 120.0° | 120.1° |
| C09 | N05 | C08 | 119.4° | 120.0° |
| N05 | C09 | H2 | 120.0° | 119.9° |
| C07 | C08 | N05 | 120.7° | 119.8° |
| C07 | C08 | C11 | 119.1° | 120.1° |
| C08 | C07 | H1 | 120.0° | 120.0° |
| N05 | C08 | C11 | 120.2° | 120.1° |
| C08 | C11 | O02 | 118.5° | 120.0° |
| C08 | C11 | O03 | 120.2° | 120.0° |
| O02 | C11 | O03 | 121.3° | 120.0° |
| C11 | O03 | H7 | 109.5° | 117.0° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H3 | C10 | H5 | 109.5° | 109.4° |
| H4 | C10 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C06 | N04 | O01 | 0.2° | 0.2° |
| C10 | C06 | N04 | C09 | 179.8° | 179.7° |
| C10 | C06 | N04 | C07 | 179.9° | 179.7° |
| C10 | C06 | C09 | N05 | 179.9° | 179.7° |
| C10 | C06 | C09 | H2 | 0.1° | 0.3° |
| C06 | C10 | H3 | H4 | 120.0° | 120.0° |
| C06 | C10 | H3 | H5 | 120.0° | 120.0° |
| C06 | C10 | H4 | H5 | 120.0° | 120.0° |
| O01 | N04 | C06 | C07 | 179.9° | 180.0° |
| O01 | N04 | C06 | C09 | 180.0° | 179.9° |
| O01 | N04 | C07 | C08 | 179.9° | 179.9° |
| O01 | N04 | C07 | H1 | 0.0° | 0.0° |
| N04 | C06 | C09 | N05 | 0.1° | 0.0° |
| C06 | N04 | C07 | C08 | 0.0° | 0.1° |
| C06 | N04 | C07 | H1 | 179.9° | 179.9° |
| N04 | C06 | C09 | H2 | 179.9° | 180.0° |
| N04 | C06 | C10 | H3 | 90.1° | 90.0° |
| N04 | C06 | C10 | H4 | 149.9° | 150.0° |
| N04 | C06 | C10 | H5 | 29.9° | 30.0° |
| C06 | N04 | O01 | H6 | 180.0° | 90.0° |
| C09 | C06 | N04 | C07 | 0.1° | 0.0° |
| C06 | C09 | N05 | H2 | 180.0° | 180.0° |
| C06 | C09 | N05 | C08 | 0.1° | 0.1° |
| C09 | C06 | C10 | H3 | 90.1° | 90.3° |
| C09 | C06 | C10 | H4 | 29.9° | 29.7° |
| C09 | C06 | C10 | H5 | 149.9° | 149.7° |
| N04 | C07 | C08 | H1 | 180.0° | 179.9° |
| N04 | C07 | C08 | N05 | 0.0° | 0.1° |
| N04 | C07 | C08 | C11 | 179.9° | 180.0° |
| C07 | N04 | O01 | H6 | 0.1° | 90.0° |
| C09 | N05 | C08 | C07 | 0.0° | 0.1° |
| C09 | N05 | C08 | C11 | 179.9° | 180.0° |
| C07 | C08 | N05 | C11 | 180.0° | 179.9° |
| C07 | C08 | C11 | O02 | 11.9° | 0.0° |
| C07 | C08 | C11 | O03 | 167.9° | 179.9° |
| N05 | C08 | C11 | O02 | 168.1° | 180.0° |
| N05 | C08 | C11 | O03 | 12.1° | 0.0° |
| N05 | C08 | C07 | H1 | 180.0° | 180.0° |
| C08 | N05 | C09 | H2 | 180.0° | 180.0° |
| C08 | C11 | O02 | O03 | 179.8° | 180.0° |
| C11 | C08 | C07 | H1 | 0.1° | 0.1° |
| C08 | C11 | O03 | H7 | 179.8° | 180.0° |
| O02 | C11 | O03 | H7 | 0.0° | 0.1° |
| H3 | C10 | H4 | H5 | 120.0° | 120.0° |
