A1CVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C1 | sing | 1.74Å | 1.74Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.50Å | |
| C7 | O1 | doub | 1.22Å | 1.23Å | |
| C7 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C8 | sing | 1.47Å | 1.45Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C1 | C2 | 118.4° | 120.1° |
| CL1 | C1 | C6 | 120.4° | 120.1° |
| C1 | C2 | C3 | 119.5° | 120.1° |
| C2 | C1 | C6 | 121.2° | 119.8° |
| C1 | C2 | H1 | 120.3° | 119.9° |
| C2 | C3 | C4 | 120.4° | 120.3° |
| C3 | C2 | H1 | 120.2° | 119.9° |
| C2 | C3 | H2 | 119.8° | 119.9° |
| C3 | C4 | C5 | 120.0° | 120.2° |
| C4 | C3 | H2 | 119.8° | 119.8° |
| C3 | C4 | H3 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.7° | 119.9° |
| C5 | C4 | H3 | 120.0° | 119.9° |
| C4 | C5 | H4 | 119.7° | 120.0° |
| C5 | C6 | C1 | 118.2° | 119.7° |
| C5 | C6 | C7 | 119.3° | 120.2° |
| C6 | C5 | H4 | 119.7° | 120.1° |
| C1 | C6 | C7 | 122.5° | 120.1° |
| C6 | C7 | O1 | 121.6° | 120.0° |
| C6 | C7 | N1 | 116.1° | 120.0° |
| O1 | C7 | N1 | 122.3° | 119.9° |
| C7 | N1 | C8 | 122.9° | 120.0° |
| C7 | N1 | H5 | 118.6° | 120.0° |
| N1 | C8 | C9 | 115.8° | 109.5° |
| N1 | C8 | H6 | 107.9° | 109.5° |
| N1 | C8 | H7 | 107.8° | 109.4° |
| C8 | N1 | H5 | 118.6° | 120.0° |
| C8 | C9 | C10 | 123.7° | 119.7° |
| C8 | C9 | N2 | 114.3° | 119.6° |
| C9 | C8 | H6 | 107.9° | 109.5° |
| C9 | C8 | H7 | 107.9° | 109.4° |
| C9 | C10 | C11 | 118.8° | 119.2° |
| C10 | C9 | N2 | 122.0° | 120.7° |
| C9 | C10 | H8 | 120.6° | 120.4° |
| C10 | C11 | C12 | 119.4° | 118.4° |
| C10 | C11 | H9 | 120.4° | 120.7° |
| C11 | C10 | H8 | 120.6° | 120.5° |
| C11 | C12 | C13 | 118.3° | 119.2° |
| C12 | C11 | H9 | 120.3° | 120.8° |
| C11 | C12 | H10 | 120.8° | 120.4° |
| C12 | C13 | N2 | 123.3° | 120.7° |
| C13 | C12 | H10 | 120.9° | 120.4° |
| C12 | C13 | H11 | 118.4° | 119.7° |
| C13 | N2 | C9 | 118.1° | 121.7° |
| N2 | C13 | H11 | 118.3° | 119.6° |
| H6 | C8 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C1 | C2 | C6 | 179.7° | 180.0° |
| CL1 | C1 | C2 | C3 | 180.0° | 180.0° |
| CL1 | C1 | C6 | C5 | 179.7° | 179.7° |
| CL1 | C1 | C6 | C7 | 1.3° | 0.0° |
| CL1 | C1 | C2 | H1 | 0.1° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.3° |
| C2 | C1 | C6 | C7 | 179.1° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.3° |
| C3 | C2 | C1 | C6 | 0.4° | 0.0° |
| C2 | C3 | C4 | H3 | 179.9° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.4° | 0.6° |
| C4 | C3 | C2 | H1 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 179.6° | 180.0° |
| C4 | C5 | C6 | H4 | 180.0° | 179.4° |
| C4 | C5 | C6 | C1 | 0.7° | 0.6° |
| C4 | C5 | C6 | C7 | 179.1° | 179.7° |
| C5 | C4 | C3 | H2 | 179.9° | 179.7° |
| C5 | C6 | C1 | C7 | 178.4° | 179.7° |
| C5 | C6 | C7 | O1 | 40.7° | 179.7° |
| C5 | C6 | C7 | N1 | 140.9° | 0.3° |
| C6 | C5 | C4 | H3 | 179.6° | 179.6° |
| C1 | C6 | C7 | O1 | 137.7° | 0.0° |
| C1 | C6 | C7 | N1 | 40.7° | 180.0° |
| C6 | C1 | C2 | H1 | 179.6° | 180.0° |
| C1 | C6 | C5 | H4 | 179.3° | 180.0° |
| C6 | C7 | O1 | N1 | 178.3° | 180.0° |
| C6 | C7 | N1 | C8 | 170.5° | 180.0° |
| C7 | C6 | C5 | H4 | 0.9° | 0.4° |
| C6 | C7 | N1 | H5 | 9.5° | 0.0° |
| O1 | C7 | N1 | C8 | 7.8° | 0.0° |
| O1 | C7 | N1 | H5 | 172.2° | 180.0° |
| C7 | N1 | C8 | H5 | 180.0° | 180.0° |
| C7 | N1 | C8 | C9 | 51.0° | 180.0° |
| C7 | N1 | C8 | H6 | 171.9° | 60.0° |
| C7 | N1 | C8 | H7 | 70.0° | 60.1° |
| N1 | C8 | C9 | H6 | 120.9° | 120.0° |
| N1 | C8 | C9 | H7 | 120.9° | 119.9° |
| N1 | C8 | C9 | C10 | 46.5° | 95.0° |
| N1 | C8 | C9 | N2 | 132.0° | 84.4° |
| N1 | C8 | H6 | H7 | 117.1° | 120.0° |
| C8 | C9 | C10 | N2 | 178.4° | 179.4° |
| C8 | C9 | C10 | C11 | 179.5° | 180.0° |
| C8 | C9 | N2 | C13 | 179.5° | 179.7° |
| C8 | C9 | C10 | H8 | 0.5° | 0.0° |
| C9 | C8 | H6 | H7 | 117.1° | 120.0° |
| C9 | C8 | N1 | H5 | 129.1° | 0.0° |
| C9 | C10 | C11 | H8 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.6° | 0.1° |
| C10 | C9 | N2 | C13 | 1.0° | 0.9° |
| C9 | C10 | C11 | H9 | 179.4° | 179.7° |
| C10 | C9 | C8 | H6 | 74.5° | 145.0° |
| C10 | C9 | C8 | H7 | 167.4° | 24.9° |
| C10 | C11 | C12 | H9 | 180.0° | 179.6° |
| C10 | C11 | C12 | C13 | 0.1° | 0.3° |
| C11 | C10 | C9 | N2 | 1.1° | 0.5° |
| C10 | C11 | C12 | H10 | 179.9° | 179.7° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | N2 | 0.1° | 0.0° |
| C12 | C11 | C10 | H8 | 179.3° | 180.0° |
| C11 | C12 | C13 | H11 | 179.9° | 179.9° |
| C12 | C13 | N2 | H11 | 180.0° | 179.9° |
| C12 | C13 | N2 | C9 | 0.3° | 0.7° |
| C13 | C12 | C11 | H9 | 179.9° | 180.0° |
| N2 | C13 | C12 | H10 | 179.9° | 179.9° |
| N2 | C9 | C10 | H8 | 178.9° | 179.4° |
| C9 | N2 | C13 | H11 | 179.6° | 179.4° |
| N2 | C9 | C8 | H6 | 107.0° | 35.6° |
| N2 | C9 | C8 | H7 | 11.1° | 155.6° |
| H9 | C11 | C12 | H10 | 0.1° | 0.1° |
| H9 | C11 | C10 | H8 | 0.7° | 0.3° |
| H10 | C12 | C13 | H11 | 0.1° | 0.0° |
| H1 | C2 | C3 | H2 | 0.1° | 0.0° |
| H2 | C3 | C4 | H3 | 0.1° | 0.0° |
| H3 | C4 | C5 | H4 | 0.4° | 0.3° |
| H6 | C8 | N1 | H5 | 8.1° | 120.0° |
| H7 | C8 | N1 | H5 | 110.0° | 119.9° |
