A6H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.40Å | 1.34Å | |
| C | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.36Å | Aromatic |
| N1 | C3 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.37Å | |
| CL | C5 | sing | 1.74Å | 1.73Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| O | C4 | sing | 1.36Å | 1.43Å | |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | CL1 | sing | 1.74Å | 1.73Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| N | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C10 | 119.5° | 120.4° |
| N | C | C1 | 121.4° | 120.5° |
| C | N | H7 | 109.5° | 120.0° |
| C | N | H8 | 109.5° | 120.0° |
| C10 | C | C1 | 119.2° | 119.1° |
| C | C10 | N1 | 122.3° | 120.7° |
| C | C10 | H1 | 118.9° | 119.7° |
| C | C1 | C2 | 118.6° | 118.5° |
| C | C1 | H6 | 120.7° | 120.7° |
| C10 | N1 | C3 | 117.8° | 121.7° |
| N1 | C10 | H1 | 118.8° | 119.6° |
| C1 | C2 | C3 | 118.4° | 119.2° |
| C1 | C2 | H5 | 120.8° | 120.4° |
| C2 | C1 | H6 | 120.7° | 120.8° |
| N1 | C3 | C2 | 123.6° | 120.8° |
| N1 | C3 | O | 119.3° | 119.6° |
| C2 | C3 | O | 117.1° | 119.6° |
| C3 | C2 | H5 | 120.8° | 120.4° |
| C3 | O | C4 | 122.8° | 118.0° |
| CL | C5 | C6 | 119.3° | 120.0° |
| CL | C5 | C4 | 119.3° | 120.0° |
| C6 | C5 | C4 | 121.4° | 119.9° |
| C5 | C6 | C7 | 119.3° | 120.0° |
| C5 | C6 | H4 | 120.4° | 120.0° |
| C5 | C4 | O | 122.0° | 120.1° |
| C5 | C4 | C9 | 118.0° | 119.9° |
| O | C4 | C9 | 120.0° | 120.0° |
| C6 | C7 | C8 | 120.6° | 120.1° |
| C6 | C7 | H3 | 119.7° | 119.9° |
| C7 | C6 | H4 | 120.4° | 120.0° |
| C4 | C9 | C8 | 121.5° | 119.9° |
| C4 | C9 | CL1 | 118.9° | 120.0° |
| C7 | C8 | C9 | 119.3° | 120.1° |
| C7 | C8 | H2 | 120.4° | 119.9° |
| C8 | C7 | H3 | 119.7° | 120.0° |
| C8 | C9 | CL1 | 119.6° | 120.0° |
| C9 | C8 | H2 | 120.4° | 120.0° |
| H7 | N | H8 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C10 | C1 | 179.9° | 180.0° |
| N | C | C10 | N1 | 179.5° | 180.0° |
| N | C | C1 | C2 | 179.8° | 179.5° |
| N | C | C10 | H1 | 0.5° | 0.2° |
| N | C | C1 | H6 | 0.2° | 0.3° |
| C | N | H7 | H8 | 120.0° | 179.9° |
| C | C10 | N1 | H1 | 180.0° | 179.7° |
| C10 | C | C1 | C2 | 0.1° | 0.5° |
| C | C10 | N1 | C3 | 0.4° | 0.2° |
| C10 | C | C1 | H6 | 180.0° | 179.7° |
| C10 | C | N | H7 | 180.0° | 0.0° |
| C10 | C | N | H8 | 60.0° | 179.9° |
| C1 | C | C10 | N1 | 0.4° | 0.0° |
| C | C1 | C2 | H6 | 180.0° | 179.2° |
| C | C1 | C2 | C3 | 0.2° | 0.8° |
| C1 | C | C10 | H1 | 179.6° | 179.7° |
| C | C1 | C2 | H5 | 179.8° | 179.7° |
| C1 | C | N | H7 | 0.1° | 179.9° |
| C1 | C | N | H8 | 120.1° | 0.0° |
| C10 | N1 | C3 | C2 | 0.1° | 0.0° |
| C10 | N1 | C3 | O | 179.5° | 180.0° |
| C1 | C2 | C3 | N1 | 0.2° | 0.5° |
| C1 | C2 | C3 | H5 | 180.0° | 179.5° |
| C1 | C2 | C3 | O | 179.2° | 179.5° |
| N1 | C3 | C2 | O | 179.3° | 180.0° |
| N1 | C3 | O | C4 | 0.2° | 0.0° |
| C3 | N1 | C10 | H1 | 179.6° | 180.0° |
| N1 | C3 | C2 | H5 | 179.8° | 180.0° |
| C2 | C3 | O | C4 | 179.2° | 180.0° |
| C3 | C2 | C1 | H6 | 179.8° | 180.0° |
| C3 | O | C4 | C5 | 81.2° | 90.0° |
| C3 | O | C4 | C9 | 100.4° | 90.0° |
| O | C3 | C2 | H5 | 0.9° | 0.0° |
| CL | C5 | C6 | C4 | 179.9° | 179.2° |
| CL | C5 | C4 | O | 1.2° | 0.3° |
| CL | C5 | C6 | C7 | 179.9° | 180.0° |
| CL | C5 | C4 | C9 | 179.7° | 179.7° |
| CL | C5 | C6 | H4 | 0.1° | 0.7° |
| C6 | C5 | C4 | O | 178.9° | 179.5° |
| C5 | C6 | C7 | H4 | 180.0° | 179.3° |
| C6 | C5 | C4 | C9 | 0.4° | 0.5° |
| C5 | C6 | C7 | C8 | 0.1° | 0.6° |
| C5 | C6 | C7 | H3 | 179.9° | 179.5° |
| C5 | C4 | O | C9 | 178.4° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.8° |
| C5 | C4 | C9 | C8 | 0.6° | 0.0° |
| C5 | C4 | C9 | CL1 | 179.9° | 179.8° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| O | C4 | C9 | C8 | 179.1° | 180.0° |
| O | C4 | C9 | CL1 | 1.4° | 0.2° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H2 | 179.9° | 180.0° |
| C4 | C9 | C8 | C7 | 0.5° | 0.2° |
| C4 | C9 | C8 | CL1 | 179.4° | 179.8° |
| C4 | C9 | C8 | H2 | 179.5° | 179.7° |
| C7 | C8 | C9 | H2 | 180.0° | 179.9° |
| C7 | C8 | C9 | CL1 | 180.0° | 180.0° |
| C8 | C7 | C6 | H4 | 179.9° | 179.8° |
| C9 | C8 | C7 | H3 | 179.8° | 179.9° |
| CL1 | C9 | C8 | H2 | 0.1° | 0.0° |
| H2 | C8 | C7 | H3 | 0.2° | 0.1° |
| H3 | C7 | C6 | H4 | 0.1° | 0.3° |
| H5 | C2 | C1 | H6 | 0.2° | 0.6° |
