6AQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.35Å | 1.39Å | Aromatic |
| C09 | N08 | sing | 1.37Å | 1.32Å | Aromatic |
| C10 | N11 | sing | 1.34Å | 1.32Å | Aromatic |
| N08 | C05 | sing | 1.40Å | 1.33Å | |
| N08 | C12 | sing | 1.36Å | 1.32Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.36Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| N11 | C12 | doub | 1.31Å | 1.33Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C05 | 120.2° | 120.0° |
| C06 | C07 | C02 | 119.6° | 120.0° |
| C07 | C06 | H4 | 119.9° | 120.0° |
| C06 | C07 | H5 | 120.2° | 120.0° |
| C06 | C05 | N08 | 120.5° | 120.1° |
| C06 | C05 | C04 | 119.9° | 119.9° |
| C05 | C06 | H4 | 119.9° | 120.0° |
| C07 | C02 | F01 | 120.2° | 119.9° |
| C07 | C02 | C03 | 120.4° | 120.1° |
| C02 | C07 | H5 | 120.2° | 120.0° |
| C10 | C09 | N08 | 107.3° | 106.8° |
| C09 | C10 | N11 | 106.6° | 108.2° |
| C09 | C10 | H1 | 126.7° | 125.9° |
| C10 | C09 | H6 | 126.4° | 126.6° |
| C09 | N08 | C05 | 126.2° | 126.5° |
| C09 | N08 | C12 | 108.3° | 107.0° |
| N08 | C09 | H6 | 126.3° | 126.6° |
| C10 | N11 | C12 | 108.7° | 109.3° |
| N11 | C10 | H1 | 126.7° | 125.9° |
| C05 | N08 | C12 | 125.5° | 126.5° |
| N08 | C05 | C04 | 119.6° | 120.0° |
| N08 | C12 | N11 | 109.1° | 108.6° |
| N08 | C12 | H7 | 125.5° | 125.7° |
| C05 | C04 | C03 | 119.9° | 119.9° |
| C05 | C04 | H3 | 120.1° | 120.1° |
| F01 | C02 | C03 | 119.4° | 120.0° |
| C02 | C03 | C04 | 120.1° | 120.0° |
| C02 | C03 | H2 | 119.9° | 120.0° |
| N11 | C12 | H7 | 125.4° | 125.7° |
| C04 | C03 | H2 | 120.0° | 119.9° |
| C03 | C04 | H3 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C05 | H4 | 180.0° | 179.6° |
| C06 | C07 | C02 | H5 | 180.0° | 179.6° |
| C07 | C06 | C05 | N08 | 179.9° | 179.8° |
| C07 | C06 | C05 | C04 | 0.3° | 0.1° |
| C06 | C07 | C02 | F01 | 179.7° | 179.8° |
| C06 | C07 | C02 | C03 | 0.1° | 0.4° |
| C05 | C06 | C07 | C02 | 0.1° | 0.4° |
| C06 | C05 | N08 | C09 | 23.2° | 0.4° |
| C06 | C05 | N08 | C04 | 179.5° | 180.0° |
| C06 | C05 | N08 | C12 | 157.4° | 180.0° |
| C06 | C05 | C04 | C03 | 0.4° | 0.1° |
| C06 | C05 | C04 | H3 | 179.6° | 180.0° |
| C05 | C06 | C07 | H5 | 179.9° | 180.0° |
| C07 | C02 | F01 | C03 | 179.6° | 179.8° |
| C07 | C02 | C03 | C04 | 0.2° | 0.1° |
| C07 | C02 | C03 | H2 | 179.8° | 179.8° |
| C02 | C07 | C06 | H4 | 179.9° | 180.0° |
| C10 | C09 | N08 | H6 | 180.0° | 179.9° |
| C09 | C10 | N11 | H1 | 180.0° | 179.7° |
| C10 | C09 | N08 | C05 | 179.6° | 179.8° |
| C10 | C09 | N08 | C12 | 0.1° | 0.2° |
| C09 | C10 | N11 | C12 | 0.0° | 0.2° |
| N08 | C09 | C10 | N11 | 0.0° | 0.0° |
| C09 | N08 | C05 | C12 | 179.5° | 179.6° |
| C09 | N08 | C05 | C04 | 156.4° | 179.6° |
| C09 | N08 | C12 | N11 | 0.1° | 0.3° |
| N08 | C09 | C10 | H1 | 180.0° | 179.7° |
| C09 | N08 | C12 | H7 | 179.9° | 180.0° |
| C10 | N11 | C12 | N08 | 0.1° | 0.3° |
| N11 | C10 | C09 | H6 | 180.0° | 179.9° |
| C10 | N11 | C12 | H7 | 179.9° | 180.0° |
| C05 | N08 | C12 | N11 | 179.6° | 180.0° |
| N08 | C05 | C04 | C03 | 180.0° | 180.0° |
| N08 | C05 | C04 | H3 | 0.0° | 0.1° |
| N08 | C05 | C06 | H4 | 0.1° | 0.2° |
| C05 | N08 | C09 | H6 | 0.4° | 0.1° |
| C05 | N08 | C12 | H7 | 0.3° | 0.4° |
| C12 | N08 | C05 | C04 | 23.1° | 0.1° |
| N08 | C12 | N11 | H7 | 180.0° | 179.6° |
| C12 | N08 | C09 | H6 | 180.0° | 179.7° |
| C05 | C04 | C03 | C02 | 0.3° | 0.1° |
| C05 | C04 | C03 | H3 | 180.0° | 179.9° |
| C05 | C04 | C03 | H2 | 179.7° | 180.0° |
| C04 | C05 | C06 | H4 | 179.7° | 179.7° |
| F01 | C02 | C03 | C04 | 179.8° | 180.0° |
| F01 | C02 | C03 | H2 | 0.2° | 0.0° |
| F01 | C02 | C07 | H5 | 0.3° | 0.2° |
| C02 | C03 | C04 | H2 | 180.0° | 179.9° |
| C02 | C03 | C04 | H3 | 179.7° | 180.0° |
| C03 | C02 | C07 | H5 | 179.9° | 180.0° |
| C12 | N11 | C10 | H1 | 180.0° | 180.0° |
| H1 | C10 | C09 | H6 | 0.0° | 0.3° |
| H2 | C03 | C04 | H3 | 0.4° | 0.1° |
| H4 | C06 | C07 | H5 | 0.1° | 0.4° |
