4K8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N13 | doub | 1.31Å | 1.33Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C09 | sing | 1.36Å | 1.37Å | Aromatic |
| N13 | C04 | sing | 1.34Å | 1.37Å | Aromatic |
| C11 | C06 | sing | 1.42Å | 1.41Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.24Å | |
| C09 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.55Å | |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | O01 | sing | 1.35Å | 1.25Å | |
| C06 | C05 | sing | 1.41Å | 1.42Å | Aromatic |
| C06 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
| C08 | C07 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| O01 | H2 | sing | 0.97Å | 0.95Å | |
| 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 | |
| C12 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C12 | C11 | 122.4° | 120.2° |
| C12 | N13 | C04 | 119.2° | 122.7° |
| N13 | C12 | H7 | 118.8° | 119.9° |
| C12 | C11 | C10 | 120.5° | 121.8° |
| C12 | C11 | C06 | 117.9° | 118.9° |
| C11 | C12 | H7 | 118.8° | 119.9° |
| C11 | C10 | C09 | 119.1° | 119.5° |
| C10 | C11 | C06 | 121.7° | 119.3° |
| C11 | C10 | H1 | 120.5° | 120.2° |
| C10 | C09 | C08 | 120.0° | 121.1° |
| C09 | C10 | H1 | 120.4° | 120.3° |
| C10 | C09 | H6 | 120.0° | 119.4° |
| N13 | C04 | C02 | 113.2° | 119.2° |
| N13 | C04 | C05 | 123.1° | 121.4° |
| C11 | C06 | C05 | 119.7° | 118.3° |
| C11 | C06 | C07 | 117.4° | 119.6° |
| O03 | C02 | C04 | 115.7° | 120.0° |
| O03 | C02 | O01 | 129.0° | 120.0° |
| C09 | C08 | C07 | 121.5° | 121.0° |
| C09 | C08 | H5 | 119.3° | 119.5° |
| C08 | C09 | H6 | 120.0° | 119.5° |
| C02 | C04 | C05 | 123.7° | 119.3° |
| C04 | C02 | O01 | 115.2° | 120.0° |
| C04 | C05 | C06 | 117.7° | 118.5° |
| C04 | C05 | H3 | 121.2° | 120.7° |
| C02 | O01 | H2 | 109.5° | 117.0° |
| C05 | C06 | C07 | 122.9° | 122.1° |
| C06 | C05 | H3 | 121.1° | 120.7° |
| C06 | C07 | C08 | 120.4° | 119.5° |
| C06 | C07 | H4 | 119.8° | 120.3° |
| C08 | C07 | H4 | 119.8° | 120.2° |
| C07 | C08 | H5 | 119.3° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C12 | C11 | H7 | 180.0° | 179.9° |
| N13 | C12 | C11 | C10 | 178.3° | 179.9° |
| N13 | C12 | C11 | C06 | 0.2° | 0.0° |
| C12 | N13 | C04 | C02 | 177.7° | 179.9° |
| C12 | N13 | C04 | C05 | 0.3° | 0.1° |
| C12 | C11 | C10 | C06 | 178.5° | 179.9° |
| C12 | C11 | C10 | C09 | 179.9° | 180.0° |
| C11 | C12 | N13 | C04 | 0.4° | 0.1° |
| C12 | C11 | C06 | C05 | 0.6° | 0.0° |
| C12 | C11 | C06 | C07 | 179.6° | 180.0° |
| C12 | C11 | C10 | H1 | 0.1° | 0.2° |
| C11 | C10 | C09 | H1 | 180.0° | 179.8° |
| C11 | C10 | C09 | C08 | 1.3° | 0.0° |
| C10 | C11 | C06 | C05 | 179.1° | 180.0° |
| C10 | C11 | C06 | C07 | 1.9° | 0.1° |
| C11 | C10 | C09 | H6 | 178.7° | 180.0° |
| C10 | C11 | C12 | H7 | 1.7° | 0.0° |
| C09 | C10 | C11 | C06 | 1.6° | 0.1° |
| C10 | C09 | C08 | H6 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 1.4° | 0.0° |
| C10 | C09 | C08 | H5 | 178.6° | 180.0° |
| N13 | C04 | C02 | O03 | 4.5° | 180.0° |
| N13 | C04 | C02 | C05 | 177.4° | 180.0° |
| N13 | C04 | C02 | O01 | 174.5° | 0.0° |
| N13 | C04 | C05 | C06 | 1.1° | 0.0° |
| N13 | C04 | C05 | H3 | 179.0° | 180.0° |
| C04 | N13 | C12 | H7 | 179.6° | 180.0° |
| C11 | C06 | C05 | C04 | 1.2° | 0.0° |
| C11 | C06 | C05 | C07 | 179.0° | 180.0° |
| C11 | C06 | C07 | C08 | 1.9° | 0.0° |
| C06 | C11 | C10 | H1 | 178.4° | 179.7° |
| C11 | C06 | C05 | H3 | 178.9° | 180.0° |
| C11 | C06 | C07 | H4 | 178.1° | 180.0° |
| C06 | C11 | C12 | H7 | 179.7° | 180.0° |
| O03 | C02 | C04 | O01 | 179.0° | 180.0° |
| O03 | C02 | C04 | C05 | 178.2° | 0.0° |
| O03 | C02 | O01 | H2 | 0.0° | 0.0° |
| C09 | C08 | C07 | C06 | 1.7° | 0.0° |
| C09 | C08 | C07 | H5 | 180.0° | 180.0° |
| C08 | C09 | C10 | H1 | 178.7° | 179.8° |
| C09 | C08 | C07 | H4 | 178.3° | 180.0° |
| C02 | C04 | C05 | C06 | 178.2° | 180.0° |
| C04 | C02 | O01 | H2 | 178.9° | 180.0° |
| C02 | C04 | C05 | H3 | 1.8° | 0.0° |
| C05 | C04 | C02 | O01 | 2.8° | 180.0° |
| C04 | C05 | C06 | H3 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C05 | C06 | C07 | C08 | 179.1° | 180.0° |
| C05 | C06 | C07 | H4 | 0.9° | 0.0° |
| C06 | C07 | C08 | H4 | 180.0° | 180.0° |
| C07 | C06 | C05 | H3 | 0.1° | 0.0° |
| C06 | C07 | C08 | H5 | 178.3° | 180.0° |
| C07 | C08 | C09 | H6 | 178.6° | 179.9° |
| H1 | C10 | C09 | H6 | 1.3° | 0.2° |
| H4 | C07 | C08 | H5 | 1.7° | 0.0° |
| H5 | C08 | C09 | H6 | 1.4° | 0.1° |
