QOX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.43Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.44Å | Aromatic |
| C09 | C10 | doub | 1.36Å | 1.36Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.44Å | Aromatic |
| C06 | C11 | doub | 1.42Å | 1.46Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C05 | C04 | doub | 1.37Å | 1.36Å | Aromatic |
| C11 | N02 | sing | 1.34Å | 1.47Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.44Å | Aromatic |
| N02 | C03 | doub | 1.31Å | 1.38Å | Aromatic |
| N02 | O01 | sing | 1.42Å | 1.27Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C08 | C09 | 120.1° | 120.9° |
| C08 | C07 | C06 | 119.9° | 119.6° |
| C08 | C07 | H4 | 120.0° | 120.2° |
| C07 | C08 | H5 | 119.9° | 119.6° |
| C08 | C09 | C10 | 122.5° | 121.1° |
| C09 | C08 | H5 | 120.0° | 119.5° |
| C08 | C09 | H6 | 118.8° | 119.5° |
| C07 | C06 | C05 | 123.5° | 121.4° |
| C07 | C06 | C11 | 117.9° | 119.7° |
| C06 | C07 | H4 | 120.0° | 120.2° |
| C09 | C10 | C11 | 118.9° | 119.8° |
| C10 | C09 | H6 | 118.7° | 119.4° |
| C09 | C10 | H7 | 120.5° | 120.2° |
| C05 | C06 | C11 | 118.6° | 119.0° |
| C06 | C05 | C04 | 119.1° | 118.2° |
| C06 | C05 | H3 | 120.5° | 121.0° |
| C06 | C11 | C10 | 120.7° | 119.0° |
| C06 | C11 | N02 | 120.4° | 119.9° |
| C10 | C11 | N02 | 118.9° | 121.1° |
| C11 | C10 | H7 | 120.6° | 120.1° |
| C05 | C04 | C03 | 123.1° | 119.9° |
| C05 | C04 | H2 | 118.5° | 120.0° |
| C04 | C05 | H3 | 120.4° | 120.9° |
| C11 | N02 | C03 | 117.6° | 121.3° |
| C11 | N02 | O01 | 119.0° | 119.4° |
| C04 | C03 | N02 | 121.1° | 121.7° |
| C04 | C03 | H1 | 119.4° | 119.1° |
| C03 | C04 | H2 | 118.5° | 120.0° |
| C03 | N02 | O01 | 123.3° | 119.3° |
| N02 | C03 | H1 | 119.5° | 119.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C08 | C09 | H5 | 180.0° | 179.9° |
| C08 | C07 | C06 | H4 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.4° | 0.0° |
| C08 | C07 | C06 | C05 | 179.0° | 180.0° |
| C08 | C07 | C06 | C11 | 0.8° | 0.0° |
| C07 | C08 | C09 | H6 | 179.6° | 180.0° |
| C09 | C08 | C07 | C06 | 0.9° | 0.0° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.0° | 0.0° |
| C09 | C08 | C07 | H4 | 179.1° | 180.0° |
| C08 | C09 | C10 | H7 | 180.0° | 180.0° |
| C07 | C06 | C05 | C11 | 179.9° | 180.0° |
| C07 | C06 | C11 | C10 | 0.4° | 0.0° |
| C07 | C06 | C05 | C04 | 179.8° | 180.0° |
| C07 | C06 | C11 | N02 | 178.9° | 179.7° |
| C07 | C06 | C05 | H3 | 0.2° | 0.0° |
| C06 | C07 | C08 | H5 | 179.1° | 180.0° |
| C09 | C10 | C11 | C06 | 0.0° | 0.0° |
| C09 | C10 | C11 | H7 | 180.0° | 180.0° |
| C09 | C10 | C11 | N02 | 179.3° | 179.7° |
| C10 | C09 | C08 | H5 | 179.5° | 180.0° |
| C05 | C06 | C11 | C10 | 179.4° | 180.0° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C05 | C06 | C11 | N02 | 1.2° | 0.3° |
| C06 | C05 | C04 | C03 | 0.9° | 0.0° |
| C06 | C05 | C04 | H2 | 179.1° | 180.0° |
| C05 | C06 | C07 | H4 | 1.0° | 0.0° |
| C06 | C11 | C10 | N02 | 179.3° | 179.7° |
| C11 | C06 | C05 | C04 | 0.4° | 0.0° |
| C06 | C11 | N02 | C03 | 0.8° | 0.6° |
| C06 | C11 | N02 | O01 | 178.2° | 180.0° |
| C11 | C06 | C05 | H3 | 179.6° | 180.0° |
| C11 | C06 | C07 | H4 | 179.1° | 180.0° |
| C06 | C11 | C10 | H7 | 180.0° | 180.0° |
| C10 | C11 | N02 | C03 | 179.9° | 179.7° |
| C10 | C11 | N02 | O01 | 2.4° | 0.3° |
| C11 | C10 | C09 | H6 | 180.0° | 180.0° |
| C05 | C04 | C03 | H2 | 180.0° | 180.0° |
| C05 | C04 | C03 | N02 | 1.4° | 0.3° |
| C05 | C04 | C03 | H1 | 178.6° | 180.0° |
| C11 | N02 | C03 | C04 | 0.5° | 0.6° |
| C11 | N02 | C03 | O01 | 177.3° | 179.4° |
| C11 | N02 | C03 | H1 | 179.5° | 179.7° |
| N02 | C11 | C10 | H7 | 0.7° | 0.3° |
| C04 | C03 | N02 | H1 | 180.0° | 179.7° |
| C04 | C03 | N02 | O01 | 176.9° | 180.0° |
| C03 | C04 | C05 | H3 | 179.1° | 180.0° |
| N02 | C03 | C04 | H2 | 178.6° | 179.7° |
| O01 | N02 | C03 | H1 | 3.1° | 0.3° |
| H1 | C03 | C04 | H2 | 1.4° | 0.0° |
| H2 | C04 | C05 | H3 | 0.9° | 0.0° |
| H4 | C07 | C08 | H5 | 0.9° | 0.1° |
| H5 | C08 | C09 | H6 | 0.5° | 0.1° |
| H6 | C09 | C10 | H7 | 0.0° | 0.0° |
