KM6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.78Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C8 | sing | 1.48Å | 1.53Å | |
| C8 | O19 | sing | 1.35Å | 1.33Å | Aromatic |
| C8 | N9 | doub | 1.31Å | 1.33Å | Aromatic |
| O19 | C11 | sing | 1.34Å | 1.33Å | Aromatic |
| N9 | N10 | sing | 1.29Å | 1.37Å | Aromatic |
| C11 | N10 | doub | 1.30Å | 1.32Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C3 | 119.6° | 119.9° |
| CL1 | C2 | C7 | 120.7° | 119.9° |
| C3 | C2 | C7 | 119.7° | 120.3° |
| C2 | C3 | C4 | 119.3° | 120.1° |
| C2 | C3 | H2 | 120.4° | 120.0° |
| C2 | C7 | C6 | 121.2° | 120.1° |
| C2 | C7 | H5 | 119.4° | 119.9° |
| C3 | C4 | C5 | 121.5° | 119.9° |
| C4 | C3 | H2 | 120.4° | 119.9° |
| C3 | C4 | H3 | 119.3° | 120.1° |
| C7 | C6 | C5 | 119.2° | 119.9° |
| C7 | C6 | H4 | 120.4° | 120.1° |
| C6 | C7 | H5 | 119.4° | 119.9° |
| C4 | C5 | C6 | 119.0° | 119.7° |
| C4 | C5 | C8 | 118.3° | 120.2° |
| C5 | C4 | H3 | 119.2° | 120.0° |
| C6 | C5 | C8 | 122.6° | 120.1° |
| C5 | C6 | H4 | 120.4° | 120.1° |
| C5 | C8 | O19 | 125.0° | 126.4° |
| C5 | C8 | N9 | 126.8° | 126.4° |
| O19 | C8 | N9 | 108.2° | 107.2° |
| C8 | O19 | C11 | 108.6° | 106.3° |
| C8 | N9 | N10 | 107.6° | 109.3° |
| O19 | C11 | N10 | 108.9° | 107.7° |
| O19 | C11 | H1 | 125.6° | 126.1° |
| N9 | N10 | C11 | 106.8° | 109.5° |
| N10 | C11 | H1 | 125.5° | 126.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C3 | C7 | 179.9° | 179.8° |
| CL1 | C2 | C3 | C4 | 179.8° | 179.8° |
| CL1 | C2 | C7 | C6 | 180.0° | 179.8° |
| CL1 | C2 | C3 | H2 | 0.2° | 0.3° |
| CL1 | C2 | C7 | H5 | 0.0° | 0.2° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C3 | C2 | C7 | C6 | 0.1° | 0.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C2 | C3 | C4 | H3 | 179.3° | 180.0° |
| C3 | C2 | C7 | H5 | 179.8° | 180.0° |
| C7 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C7 | C6 | H5 | 180.0° | 180.0° |
| C2 | C7 | C6 | C5 | 0.2° | 0.0° |
| C7 | C2 | C3 | H2 | 179.9° | 179.9° |
| C2 | C7 | C6 | H4 | 179.8° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C3 | C4 | C5 | C8 | 179.7° | 180.0° |
| C7 | C6 | C5 | C4 | 0.7° | 0.0° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C8 | 180.0° | 180.0° |
| C4 | C5 | C6 | C8 | 179.3° | 180.0° |
| C4 | C5 | C8 | O19 | 0.2° | 180.0° |
| C4 | C5 | C8 | N9 | 177.9° | 0.3° |
| C5 | C4 | C3 | H2 | 179.3° | 179.9° |
| C4 | C5 | C6 | H4 | 179.3° | 180.0° |
| C6 | C5 | C8 | O19 | 179.5° | 0.1° |
| C6 | C5 | C8 | N9 | 1.4° | 179.7° |
| C6 | C5 | C4 | H3 | 179.0° | 180.0° |
| C5 | C6 | C7 | H5 | 179.8° | 180.0° |
| C5 | C8 | O19 | N9 | 178.4° | 179.7° |
| C5 | C8 | O19 | C11 | 179.6° | 180.0° |
| C5 | C8 | N9 | N10 | 179.7° | 179.8° |
| C8 | C5 | C4 | H3 | 0.3° | 0.0° |
| C8 | C5 | C6 | H4 | 0.0° | 0.1° |
| O19 | C8 | N9 | N10 | 1.3° | 0.4° |
| C8 | O19 | C11 | N10 | 0.6° | 0.0° |
| C8 | O19 | C11 | H1 | 179.4° | 179.8° |
| N9 | C8 | O19 | C11 | 1.2° | 0.3° |
| C8 | N9 | N10 | C11 | 1.0° | 0.4° |
| O19 | C11 | N10 | N9 | 0.2° | 0.3° |
| O19 | C11 | N10 | H1 | 180.0° | 179.8° |
| N9 | N10 | C11 | H1 | 179.8° | 180.0° |
| H2 | C3 | C4 | H3 | 0.7° | 0.1° |
| H4 | C6 | C7 | H5 | 0.2° | 0.0° |
