A1CV1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| N1 | C5 | sing | 1.40Å | 1.41Å | |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | N2 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | C9 | sing | 1.37Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.34Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.46Å | 1.43Å | Aromatic |
| C8 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N1 | 108.9° | 109.2° |
| C2 | C1 | O1 | 113.0° | 109.3° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C2 | C1 | H2 | 108.6° | 109.6° |
| C1 | C2 | H3 | 109.6° | 109.5° |
| C1 | C2 | H4 | 109.6° | 109.5° |
| C2 | N1 | C3 | 114.2° | 110.8° |
| C2 | N1 | C5 | 123.0° | 111.0° |
| N1 | C2 | H3 | 109.6° | 109.6° |
| N1 | C2 | H4 | 109.6° | 109.5° |
| N1 | C3 | C4 | 109.1° | 109.2° |
| C3 | N1 | C5 | 122.8° | 110.9° |
| N1 | C3 | H5 | 109.6° | 109.5° |
| N1 | C3 | H6 | 109.6° | 109.6° |
| C3 | C4 | O1 | 112.5° | 109.3° |
| C4 | C3 | H5 | 109.6° | 109.5° |
| C4 | C3 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 108.7° | 109.5° |
| C3 | C4 | H8 | 108.7° | 109.5° |
| C4 | O1 | C1 | 111.9° | 113.7° |
| O1 | C4 | H7 | 108.7° | 109.5° |
| O1 | C4 | H8 | 108.7° | 109.5° |
| O1 | C1 | H1 | 108.6° | 109.5° |
| O1 | C1 | H2 | 108.6° | 109.5° |
| N1 | C5 | C6 | 119.7° | 119.9° |
| N1 | C5 | C12 | 120.7° | 119.9° |
| C5 | C6 | C7 | 121.7° | 120.6° |
| C6 | C5 | C12 | 119.6° | 120.2° |
| C5 | C6 | H9 | 119.2° | 119.7° |
| C6 | C7 | C8 | 117.9° | 120.0° |
| C7 | C6 | H9 | 119.1° | 119.7° |
| C6 | C7 | H10 | 121.0° | 120.0° |
| C7 | C8 | N2 | 130.6° | 133.4° |
| C7 | C8 | C11 | 122.1° | 119.6° |
| C8 | C7 | H10 | 121.0° | 120.0° |
| C8 | N2 | C9 | 109.0° | 109.9° |
| N2 | C8 | C11 | 107.4° | 107.0° |
| C8 | N2 | H11 | 125.5° | 125.0° |
| N2 | C9 | C10 | 110.0° | 109.9° |
| N2 | C9 | H12 | 125.0° | 125.0° |
| C9 | N2 | H11 | 125.5° | 125.1° |
| C9 | C10 | C11 | 107.0° | 107.0° |
| C9 | C10 | H13 | 126.5° | 126.5° |
| C10 | C9 | H12 | 125.0° | 125.0° |
| C10 | C11 | C8 | 106.6° | 106.1° |
| C10 | C11 | C12 | 134.2° | 133.9° |
| C11 | C10 | H13 | 126.5° | 126.5° |
| C8 | C11 | C12 | 119.2° | 120.0° |
| C11 | C12 | C5 | 119.5° | 119.6° |
| C11 | C12 | H14 | 120.2° | 120.2° |
| C5 | C12 | H14 | 120.2° | 120.2° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N1 | H3 | 119.9° | 119.9° |
| C1 | C2 | N1 | H4 | 119.9° | 119.9° |
| C1 | C2 | N1 | C3 | 45.3° | 58.7° |
| C2 | C1 | O1 | C4 | 11.9° | 58.7° |
| C2 | C1 | O1 | H1 | 120.5° | 120.0° |
| C2 | C1 | O1 | H2 | 120.5° | 120.0° |
| C1 | C2 | N1 | C5 | 136.5° | 177.6° |
| C2 | C1 | H1 | H2 | 118.3° | 120.1° |
| C1 | C2 | H3 | H4 | 120.3° | 120.1° |
| C2 | N1 | C3 | C5 | 178.2° | 123.7° |
| C2 | N1 | C3 | C4 | 10.1° | 58.6° |
| N1 | C2 | C1 | O1 | 59.5° | 56.9° |
| C2 | N1 | C5 | C6 | 0.5° | 0.1° |
| C2 | N1 | C5 | C12 | 178.8° | 180.0° |
| N1 | C2 | C1 | H1 | 61.0° | 63.1° |
| N1 | C2 | C1 | H2 | 179.9° | 176.8° |
| N1 | C2 | H3 | H4 | 120.3° | 120.1° |
| C2 | N1 | C3 | H5 | 130.1° | 178.6° |
| C2 | N1 | C3 | H6 | 109.8° | 61.3° |
| N1 | C3 | C4 | H5 | 119.9° | 120.0° |
| N1 | C3 | C4 | H6 | 120.0° | 120.0° |
| N1 | C3 | C4 | O1 | 60.2° | 56.9° |
| C3 | N1 | C5 | C6 | 178.6° | 123.7° |
| C3 | N1 | C5 | C12 | 0.8° | 56.4° |
| C3 | N1 | C2 | H3 | 74.6° | 61.3° |
| C3 | N1 | C2 | H4 | 165.2° | 178.6° |
| N1 | C3 | H5 | H6 | 120.2° | 120.2° |
| N1 | C3 | C4 | H7 | 60.2° | 176.8° |
| N1 | C3 | C4 | H8 | 179.4° | 63.1° |
| C3 | C4 | O1 | H7 | 120.5° | 119.9° |
| C3 | C4 | O1 | H8 | 120.4° | 120.0° |
| C3 | C4 | O1 | C1 | 47.4° | 58.7° |
| C4 | C3 | N1 | C5 | 168.1° | 177.6° |
| C4 | C3 | H5 | H6 | 120.2° | 120.1° |
| C3 | C4 | H7 | H8 | 118.6° | 120.1° |
| C4 | O1 | C1 | H1 | 108.6° | 61.3° |
| C4 | O1 | C1 | H2 | 132.4° | 178.6° |
| O1 | C4 | C3 | H5 | 179.8° | 176.8° |
| O1 | C4 | C3 | H6 | 59.7° | 63.1° |
| O1 | C4 | H7 | H8 | 118.6° | 120.1° |
| O1 | C1 | H1 | H2 | 118.4° | 120.0° |
| O1 | C1 | C2 | H3 | 60.4° | 63.1° |
| O1 | C1 | C2 | H4 | 179.5° | 176.8° |
| C1 | O1 | C4 | H7 | 73.1° | 178.6° |
| C1 | O1 | C4 | H8 | 167.8° | 61.3° |
| N1 | C5 | C6 | C12 | 179.4° | 180.0° |
| N1 | C5 | C6 | C7 | 179.5° | 180.0° |
| N1 | C5 | C12 | C11 | 179.6° | 180.0° |
| N1 | C5 | C12 | H14 | 0.4° | 0.0° |
| C5 | N1 | C2 | H3 | 103.7° | 62.4° |
| C5 | N1 | C2 | H4 | 16.5° | 57.7° |
| C5 | N1 | C3 | H5 | 48.2° | 57.7° |
| C5 | N1 | C3 | H6 | 71.9° | 62.4° |
| N1 | C5 | C6 | H9 | 0.4° | 0.0° |
| C5 | C6 | C7 | H9 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C6 | C5 | C12 | C11 | 0.2° | 0.0° |
| C6 | C5 | C12 | H14 | 179.8° | 180.0° |
| C5 | C6 | C7 | H10 | 180.0° | 180.0° |
| C6 | C7 | C8 | H10 | 180.0° | 180.0° |
| C6 | C7 | C8 | N2 | 180.0° | 180.0° |
| C6 | C7 | C8 | C11 | 0.1° | 0.1° |
| C7 | C6 | C5 | C12 | 0.2° | 0.0° |
| C7 | C8 | N2 | C11 | 179.9° | 180.0° |
| C7 | C8 | N2 | C9 | 180.0° | 179.7° |
| C7 | C8 | C11 | C10 | 180.0° | 180.0° |
| C7 | C8 | C11 | C12 | 0.1° | 0.1° |
| C8 | C7 | C6 | H9 | 180.0° | 180.0° |
| C7 | C8 | N2 | H11 | 0.0° | 0.0° |
| C8 | N2 | C9 | H11 | 180.0° | 179.7° |
| C8 | N2 | C9 | C10 | 0.1° | 0.4° |
| N2 | C8 | C11 | C10 | 0.0° | 0.0° |
| N2 | C8 | C11 | C12 | 180.0° | 179.9° |
| N2 | C8 | C7 | H10 | 0.0° | 0.0° |
| C8 | N2 | C9 | H12 | 179.9° | 180.0° |
| N2 | C9 | C10 | H12 | 180.0° | 179.6° |
| N2 | C9 | C10 | C11 | 0.0° | 0.4° |
| C9 | N2 | C8 | C11 | 0.1° | 0.2° |
| N2 | C9 | C10 | H13 | 179.9° | 179.9° |
| C9 | C10 | C11 | H13 | 180.0° | 179.7° |
| C9 | C10 | C11 | C8 | 0.0° | 0.2° |
| C9 | C10 | C11 | C12 | 180.0° | 179.8° |
| C10 | C9 | N2 | H11 | 179.9° | 179.9° |
| C10 | C11 | C8 | C12 | 180.0° | 179.9° |
| C10 | C11 | C12 | C5 | 179.8° | 180.0° |
| C10 | C11 | C12 | H14 | 0.2° | 0.1° |
| C11 | C10 | C9 | H12 | 179.9° | 180.0° |
| C8 | C11 | C12 | C5 | 0.1° | 0.1° |
| C8 | C11 | C10 | H13 | 180.0° | 180.0° |
| C8 | C11 | C12 | H14 | 179.9° | 180.0° |
| C11 | C8 | C7 | H10 | 179.9° | 180.0° |
| C11 | C8 | N2 | H11 | 179.9° | 180.0° |
| C11 | C12 | C5 | H14 | 180.0° | 180.0° |
| C12 | C11 | C10 | H13 | 0.1° | 0.1° |
| C12 | C5 | C6 | H9 | 179.8° | 180.0° |
| H1 | C1 | C2 | H3 | 179.1° | 176.9° |
| H1 | C1 | C2 | H4 | 58.9° | 56.8° |
| H2 | C1 | C2 | H3 | 60.2° | 56.8° |
| H2 | C1 | C2 | H4 | 60.0° | 63.3° |
| H13 | C10 | C9 | H12 | 0.1° | 0.2° |
| H5 | C3 | C4 | H7 | 59.7° | 63.3° |
| H5 | C3 | C4 | H8 | 59.4° | 56.9° |
| H6 | C3 | C4 | H7 | 179.8° | 56.8° |
| H6 | C3 | C4 | H8 | 60.7° | 176.9° |
| H9 | C6 | C7 | H10 | 0.0° | 0.0° |
| H12 | C9 | N2 | H11 | 0.1° | 0.3° |
