K8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C08 | doub | 1.21Å | 1.22Å | |
| C08 | C07 | sing | 1.48Å | 1.49Å | |
| C07 | N10 | doub | 1.33Å | 1.34Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| N10 | C03 | sing | 1.32Å | 1.35Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | N04 | doub | 1.33Å | 1.36Å | Aromatic |
| C03 | S02 | sing | 1.76Å | 1.69Å | |
| C05 | N04 | sing | 1.32Å | 1.35Å | Aromatic |
| C01 | S02 | sing | 1.81Å | 1.76Å | |
| C08 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C08 | C07 | 120.8° | 120.0° |
| O09 | C08 | H1 | 119.6° | 120.0° |
| C08 | C07 | N10 | 116.1° | 120.6° |
| C08 | C07 | C06 | 123.6° | 120.5° |
| C07 | C08 | H1 | 119.6° | 120.0° |
| N10 | C07 | C06 | 120.3° | 118.9° |
| C07 | N10 | C03 | 120.7° | 120.7° |
| C07 | C06 | C05 | 117.8° | 118.4° |
| C07 | C06 | H2 | 121.1° | 120.8° |
| N10 | C03 | N04 | 120.4° | 121.7° |
| N10 | C03 | S02 | 117.5° | 119.2° |
| C06 | C05 | N04 | 120.3° | 119.3° |
| C05 | C06 | H2 | 121.1° | 120.8° |
| C06 | C05 | H3 | 119.8° | 120.4° |
| N04 | C03 | S02 | 122.0° | 119.1° |
| C03 | N04 | C05 | 120.4° | 121.0° |
| C03 | S02 | C01 | 105.6° | 100.0° |
| N04 | C05 | H3 | 119.9° | 120.3° |
| S02 | C01 | H4 | 109.5° | 109.5° |
| S02 | C01 | H5 | 109.5° | 109.5° |
| S02 | C01 | H6 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C08 | C07 | H1 | 180.0° | 179.8° |
| O09 | C08 | C07 | N10 | 172.8° | 0.0° |
| O09 | C08 | C07 | C06 | 8.9° | 179.6° |
| C08 | C07 | N10 | C06 | 178.3° | 179.7° |
| C08 | C07 | N10 | C03 | 178.9° | 179.8° |
| C08 | C07 | C06 | C05 | 179.1° | 180.0° |
| C08 | C07 | C06 | H2 | 0.8° | 0.1° |
| N10 | C07 | C06 | C05 | 1.0° | 0.4° |
| C07 | N10 | C03 | N04 | 0.4° | 0.6° |
| C07 | N10 | C03 | S02 | 179.5° | 180.0° |
| N10 | C07 | C08 | H1 | 7.2° | 179.8° |
| N10 | C07 | C06 | H2 | 179.0° | 179.7° |
| C06 | C07 | N10 | C03 | 0.6° | 0.6° |
| C07 | C06 | C05 | H2 | 180.0° | 179.9° |
| C07 | C06 | C05 | N04 | 0.4° | 0.1° |
| C06 | C07 | C08 | H1 | 171.1° | 0.6° |
| C07 | C06 | C05 | H3 | 179.6° | 179.9° |
| N10 | C03 | N04 | S02 | 179.1° | 179.5° |
| N10 | C03 | N04 | C05 | 0.9° | 0.3° |
| N10 | C03 | S02 | C01 | 58.6° | 180.0° |
| C06 | C05 | N04 | C03 | 0.5° | 0.1° |
| C06 | C05 | N04 | H3 | 180.0° | 179.9° |
| N04 | C03 | S02 | C01 | 120.5° | 0.6° |
| C03 | N04 | C05 | H3 | 179.5° | 180.0° |
| S02 | C03 | N04 | C05 | 179.9° | 179.8° |
| C03 | S02 | C01 | H4 | 180.0° | 180.0° |
| C03 | S02 | C01 | H5 | 60.0° | 60.0° |
| C03 | S02 | C01 | H6 | 60.0° | 60.0° |
| N04 | C05 | C06 | H2 | 179.6° | 180.0° |
| S02 | C01 | H4 | H5 | 120.0° | 120.0° |
| S02 | C01 | H4 | H6 | 120.0° | 120.0° |
| S02 | C01 | H5 | H6 | 120.0° | 120.0° |
| H2 | C06 | C05 | H3 | 0.4° | 0.1° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
