K8D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C11 | doub | 1.21Å | 1.25Å | |
| C01 | N02 | sing | 1.46Å | 1.45Å | |
| O08 | C07 | doub | 1.21Å | 1.25Å | |
| C11 | C10 | sing | 1.48Å | 1.53Å | |
| C11 | O12 | sing | 1.35Å | 1.26Å | |
| C10 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C06 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.48Å | 1.53Å | |
| C07 | O09 | sing | 1.35Å | 1.25Å | |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | N02 | sing | 1.39Å | 1.46Å | |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| N02 | H7 | sing | 0.97Å | 1.00Å | |
| O09 | H8 | sing | 0.97Å | 0.95Å | |
| O12 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C11 | C10 | 118.8° | 120.0° |
| O13 | C11 | O12 | 119.8° | 120.0° |
| C01 | N02 | C03 | 120.0° | 120.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.4° |
| C01 | N02 | H7 | 106.8° | 120.0° |
| O08 | C07 | C06 | 118.6° | 120.0° |
| O08 | C07 | O09 | 119.6° | 120.0° |
| C10 | C11 | O12 | 121.4° | 120.0° |
| C11 | C10 | C14 | 118.8° | 120.2° |
| C11 | C10 | C06 | 121.1° | 120.1° |
| C11 | O12 | H9 | 109.5° | 117.0° |
| C14 | C10 | C06 | 120.1° | 119.7° |
| C10 | C14 | C03 | 120.4° | 119.9° |
| C10 | C14 | H6 | 119.8° | 120.1° |
| C10 | C06 | C07 | 121.3° | 120.1° |
| C10 | C06 | C05 | 119.6° | 119.7° |
| C14 | C03 | N02 | 119.4° | 119.9° |
| C14 | C03 | C04 | 119.8° | 120.2° |
| C03 | C14 | H6 | 119.8° | 120.0° |
| C06 | C07 | O09 | 121.8° | 120.0° |
| C07 | C06 | C05 | 119.1° | 120.1° |
| C07 | O09 | H8 | 109.5° | 117.0° |
| C06 | C05 | C04 | 120.2° | 120.1° |
| C06 | C05 | H5 | 119.9° | 120.0° |
| N02 | C03 | C04 | 120.9° | 119.9° |
| C03 | N02 | H7 | 106.8° | 120.0° |
| C03 | C04 | C05 | 119.9° | 120.3° |
| C03 | C04 | H4 | 120.0° | 119.8° |
| C05 | C04 | H4 | 120.0° | 119.9° |
| C04 | C05 | H5 | 119.9° | 119.9° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C11 | C10 | O12 | 179.5° | 179.9° |
| O13 | C11 | C10 | C14 | 131.3° | 173.8° |
| O13 | C11 | C10 | C06 | 47.8° | 6.5° |
| O13 | C11 | O12 | H9 | 0.0° | 0.1° |
| C01 | N02 | C03 | C14 | 61.7° | 180.0° |
| C01 | N02 | C03 | H7 | 121.5° | 179.9° |
| C01 | N02 | C03 | C04 | 118.2° | 0.1° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O08 | C07 | C06 | C10 | 133.5° | 55.1° |
| O08 | C07 | C06 | O09 | 178.5° | 180.0° |
| O08 | C07 | C06 | C05 | 45.8° | 124.9° |
| O08 | C07 | O09 | H8 | 0.0° | 0.0° |
| C11 | C10 | C14 | C06 | 179.1° | 179.7° |
| C11 | C10 | C14 | C03 | 179.7° | 179.8° |
| C11 | C10 | C06 | C07 | 0.1° | 0.3° |
| C11 | C10 | C06 | C05 | 179.2° | 179.8° |
| C11 | C10 | C14 | H6 | 0.3° | 0.3° |
| C10 | C11 | O12 | H9 | 179.5° | 180.0° |
| O12 | C11 | C10 | C14 | 48.2° | 6.1° |
| O12 | C11 | C10 | C06 | 132.7° | 173.6° |
| C10 | C14 | C03 | H6 | 180.0° | 179.9° |
| C14 | C10 | C06 | C07 | 179.2° | 180.0° |
| C14 | C10 | C06 | C05 | 0.1° | 0.0° |
| C10 | C14 | C03 | N02 | 179.6° | 179.9° |
| C10 | C14 | C03 | C04 | 0.5° | 0.0° |
| C06 | C10 | C14 | C03 | 0.6° | 0.0° |
| C10 | C06 | C07 | C05 | 179.3° | 180.0° |
| C10 | C06 | C07 | O09 | 48.0° | 124.9° |
| C10 | C06 | C05 | C04 | 0.4° | 0.1° |
| C10 | C06 | C05 | H5 | 179.6° | 179.9° |
| C06 | C10 | C14 | H6 | 179.4° | 179.9° |
| C14 | C03 | N02 | C04 | 179.9° | 179.9° |
| C14 | C03 | C04 | C05 | 0.0° | 0.1° |
| C14 | C03 | C04 | H4 | 180.0° | 180.0° |
| C14 | C03 | N02 | H7 | 176.8° | 0.1° |
| C07 | C06 | C05 | C04 | 179.7° | 180.0° |
| C07 | C06 | C05 | H5 | 0.3° | 0.1° |
| C06 | C07 | O09 | H8 | 178.5° | 180.0° |
| O09 | C07 | C06 | C05 | 132.8° | 55.0° |
| C06 | C05 | C04 | C03 | 0.5° | 0.1° |
| C06 | C05 | C04 | H5 | 180.0° | 179.9° |
| C06 | C05 | C04 | H4 | 179.5° | 180.0° |
| N02 | C03 | C04 | C05 | 179.9° | 180.0° |
| C03 | N02 | C01 | H1 | 180.0° | 60.0° |
| C03 | N02 | C01 | H2 | 60.0° | 180.0° |
| C03 | N02 | C01 | H3 | 60.0° | 60.0° |
| N02 | C03 | C04 | H4 | 0.1° | 0.1° |
| N02 | C03 | C14 | H6 | 0.4° | 0.1° |
| C03 | C04 | C05 | H4 | 180.0° | 179.9° |
| C03 | C04 | C05 | H5 | 179.5° | 180.0° |
| C04 | C03 | C14 | H6 | 179.5° | 180.0° |
| C04 | C03 | N02 | H7 | 3.3° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N02 | H7 | 58.5° | 119.9° |
| H2 | C01 | N02 | H7 | 61.5° | 0.0° |
| H3 | C01 | N02 | H7 | 178.5° | 120.0° |
| H4 | C04 | C05 | H5 | 0.5° | 0.1° |
