A1CVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.33Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | CL1 | sing | 1.74Å | 1.74Å | |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | CL2 | sing | 1.74Å | 1.73Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 122.0° | 120.0° |
| N1 | C1 | C2 | 117.8° | 120.0° |
| C1 | N1 | H1 | 120.0° | 120.1° |
| C1 | N1 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | 120.1° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.2° |
| C1 | C2 | C7 | 121.9° | 120.2° |
| C2 | C3 | C4 | 121.2° | 119.9° |
| C3 | C2 | C7 | 118.2° | 119.7° |
| C2 | C3 | H3 | 119.3° | 120.0° |
| C3 | C4 | C5 | 118.8° | 120.2° |
| C4 | C3 | H3 | 119.4° | 120.1° |
| C3 | C4 | H4 | 120.6° | 119.9° |
| C4 | C5 | CL1 | 119.4° | 119.9° |
| C4 | C5 | C6 | 121.8° | 120.3° |
| C5 | C4 | H4 | 120.6° | 119.9° |
| CL1 | C5 | C6 | 118.8° | 119.8° |
| C5 | C6 | C7 | 118.3° | 120.1° |
| C5 | C6 | H5 | 120.8° | 119.9° |
| C6 | C7 | C2 | 121.7° | 119.9° |
| C6 | C7 | CL2 | 117.7° | 120.1° |
| C7 | C6 | H5 | 120.9° | 120.0° |
| C2 | C7 | CL2 | 120.6° | 120.1° |
| H1 | N1 | H2 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | C2 | 179.8° | 179.7° |
| N1 | C1 | C2 | C3 | 166.7° | 0.3° |
| N1 | C1 | C2 | C7 | 13.5° | 179.9° |
| C1 | N1 | H1 | H2 | 180.0° | 180.0° |
| O1 | C1 | C2 | C3 | 13.1° | 180.0° |
| O1 | C1 | C2 | C7 | 166.7° | 0.3° |
| O1 | C1 | N1 | H1 | 0.0° | 0.0° |
| O1 | C1 | N1 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C7 | 179.8° | 179.8° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C1 | C2 | C7 | C6 | 179.9° | 179.7° |
| C1 | C2 | C7 | CL2 | 0.2° | 0.0° |
| C1 | C2 | C3 | H3 | 0.0° | 0.0° |
| C2 | C1 | N1 | H1 | 179.8° | 179.7° |
| C2 | C1 | N1 | H2 | 0.2° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.5° |
| C3 | C2 | C7 | CL2 | 180.0° | 179.7° |
| C2 | C3 | C4 | H4 | 179.9° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | CL1 | 179.6° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | C7 | 0.2° | 0.2° |
| C4 | C5 | CL1 | C6 | 179.7° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.2° |
| C5 | C4 | C3 | H3 | 179.9° | 179.9° |
| C4 | C5 | C6 | H5 | 179.8° | 179.9° |
| CL1 | C5 | C6 | C7 | 179.5° | 179.7° |
| CL1 | C5 | C4 | H4 | 0.4° | 0.0° |
| CL1 | C5 | C6 | H5 | 0.5° | 0.1° |
| C5 | C6 | C7 | H5 | 180.0° | 179.8° |
| C5 | C6 | C7 | C2 | 0.1° | 0.5° |
| C5 | C6 | C7 | CL2 | 179.8° | 179.7° |
| C6 | C5 | C4 | H4 | 179.9° | 179.9° |
| C6 | C7 | C2 | CL2 | 179.9° | 179.7° |
| C7 | C2 | C3 | H3 | 179.8° | 179.8° |
| C2 | C7 | C6 | H5 | 179.9° | 179.6° |
| CL2 | C7 | C6 | H5 | 0.2° | 0.1° |
| H3 | C3 | C4 | H4 | 0.2° | 0.1° |
